data_34043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34043 _Entry.Title ; Salt-inducible protein splicing by inteins from extremely halophilic archaea and application to scarless segmental labeling of TonB protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-15 _Entry.Accession_date 2016-09-15 _Entry.Last_release_date 2016-10-14 _Entry.Original_release_date 2016-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 H. Iwai H. . . . 34043 2 A. Ciragan A. . . . 34043 3 I. Tascon I. . . . 34043 4 S. Aranko S. A. . . 34043 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-terminal domain' . 34043 'METAL TRANSPORT' . 34043 'TonB-dependent iron uptake' . 34043 'proline rich domain' . 34043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 34043 '15N chemical shifts' 92 34043 '1H chemical shifts' 656 34043 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 . . 2017-02-21 2016-09-15 update BMRB 'update entry citation' 34043 1 . . 2016-10-14 2016-09-15 original author 'original release' 34043 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LW8 'BMRB Entry Tracking System' 34043 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34043 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27720988 _Citation.Full_citation . _Citation.Title ; Salt-inducible Protein Splicing in cis and trans by Inteins from Extremely Halophilic Archaea as a Novel Protein-Engineering Tool ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 428 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 4573 _Citation.Page_last 4588 _Citation.Year 2016 _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 Annika Ciragan A. . . . 34043 1 2 'A Sesilja' Aranko A. S. . . 34043 1 3 Igor Tascon I. . . . 34043 1 4 Hideo Iwai H. . . . 34043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34043 _Assembly.ID 1 _Assembly.Name 'Protein TonB' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 entity_1 1 $entity_1 A A yes . . . . . . 34043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein TonB' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNEFLMKIQTAISSKNRYPK MAQIRGIEGEVLVSFTINAD GSVTDIKVVKSNTTDILNHA ALEAIKSAAHLFPKPEETVH LKIPIAYSLKED ; _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 92 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10151.667 _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 1 194 SER . 34043 1 2 195 ASN . 34043 1 3 196 GLU . 34043 1 4 197 PHE . 34043 1 5 198 LEU . 34043 1 6 199 MET . 34043 1 7 200 LYS . 34043 1 8 201 ILE . 34043 1 9 202 GLN . 34043 1 10 203 THR . 34043 1 11 204 ALA . 34043 1 12 205 ILE . 34043 1 13 206 SER . 34043 1 14 207 SER . 34043 1 15 208 LYS . 34043 1 16 209 ASN . 34043 1 17 210 ARG . 34043 1 18 211 TYR . 34043 1 19 212 PRO . 34043 1 20 213 LYS . 34043 1 21 214 MET . 34043 1 22 215 ALA . 34043 1 23 216 GLN . 34043 1 24 217 ILE . 34043 1 25 218 ARG . 34043 1 26 219 GLY . 34043 1 27 220 ILE . 34043 1 28 221 GLU . 34043 1 29 222 GLY . 34043 1 30 223 GLU . 34043 1 31 224 VAL . 34043 1 32 225 LEU . 34043 1 33 226 VAL . 34043 1 34 227 SER . 34043 1 35 228 PHE . 34043 1 36 229 THR . 34043 1 37 230 ILE . 34043 1 38 231 ASN . 34043 1 39 232 ALA . 34043 1 40 233 ASP . 34043 1 41 234 GLY . 34043 1 42 235 SER . 34043 1 43 236 VAL . 34043 1 44 237 THR . 34043 1 45 238 ASP . 34043 1 46 239 ILE . 34043 1 47 240 LYS . 34043 1 48 241 VAL . 34043 1 49 242 VAL . 34043 1 50 243 LYS . 34043 1 51 244 SER . 34043 1 52 245 ASN . 34043 1 53 246 THR . 34043 1 54 247 THR . 34043 1 55 248 ASP . 34043 1 56 249 ILE . 34043 1 57 250 LEU . 34043 1 58 251 ASN . 34043 1 59 252 HIS . 34043 1 60 253 ALA . 34043 1 61 254 ALA . 34043 1 62 255 LEU . 34043 1 63 256 GLU . 34043 1 64 257 ALA . 34043 1 65 258 ILE . 34043 1 66 259 LYS . 34043 1 67 260 SER . 34043 1 68 261 ALA . 34043 1 69 262 ALA . 34043 1 70 263 HIS . 34043 1 71 264 LEU . 34043 1 72 265 PHE . 34043 1 73 266 PRO . 34043 1 74 267 LYS . 34043 1 75 268 PRO . 34043 1 76 269 GLU . 34043 1 77 270 GLU . 34043 1 78 271 THR . 34043 1 79 272 VAL . 34043 1 80 273 HIS . 34043 1 81 274 LEU . 34043 1 82 275 LYS . 34043 1 83 276 ILE . 34043 1 84 277 PRO . 34043 1 85 278 ILE . 34043 1 86 279 ALA . 34043 1 87 280 TYR . 34043 1 88 281 SER . 34043 1 89 282 LEU . 34043 1 90 283 LYS . 34043 1 91 284 GLU . 34043 1 92 285 ASP . 34043 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 34043 1 . ASN 2 2 34043 1 . GLU 3 3 34043 1 . PHE 4 4 34043 1 . LEU 5 5 34043 1 . MET 6 6 34043 1 . LYS 7 7 34043 1 . ILE 8 8 34043 1 . GLN 9 9 34043 1 . THR 10 10 34043 1 . ALA 11 11 34043 1 . ILE 12 12 34043 1 . SER 13 13 34043 1 . SER 14 14 34043 1 . LYS 15 15 34043 1 . ASN 16 16 34043 1 . ARG 17 17 34043 1 . TYR 18 18 34043 1 . PRO 19 19 34043 1 . LYS 20 20 34043 1 . MET 21 21 34043 1 . ALA 22 22 34043 1 . GLN 23 23 34043 1 . ILE 24 24 34043 1 . ARG 25 25 34043 1 . GLY 26 26 34043 1 . ILE 27 27 34043 1 . GLU 28 28 34043 1 . GLY 29 29 34043 1 . GLU 30 30 34043 1 . VAL 31 31 34043 1 . LEU 32 32 34043 1 . VAL 33 33 34043 1 . SER 34 34 34043 1 . PHE 35 35 34043 1 . THR 36 36 34043 1 . ILE 37 37 34043 1 . ASN 38 38 34043 1 . ALA 39 39 34043 1 . ASP 40 40 34043 1 . GLY 41 41 34043 1 . SER 42 42 34043 1 . VAL 43 43 34043 1 . THR 44 44 34043 1 . ASP 45 45 34043 1 . ILE 46 46 34043 1 . LYS 47 47 34043 1 . VAL 48 48 34043 1 . VAL 49 49 34043 1 . LYS 50 50 34043 1 . SER 51 51 34043 1 . ASN 52 52 34043 1 . THR 53 53 34043 1 . THR 54 54 34043 1 . ASP 55 55 34043 1 . ILE 56 56 34043 1 . LEU 57 57 34043 1 . ASN 58 58 34043 1 . HIS 59 59 34043 1 . ALA 60 60 34043 1 . ALA 61 61 34043 1 . LEU 62 62 34043 1 . GLU 63 63 34043 1 . ALA 64 64 34043 1 . ILE 65 65 34043 1 . LYS 66 66 34043 1 . SER 67 67 34043 1 . ALA 68 68 34043 1 . ALA 69 69 34043 1 . HIS 70 70 34043 1 . LEU 71 71 34043 1 . PHE 72 72 34043 1 . PRO 73 73 34043 1 . LYS 74 74 34043 1 . PRO 75 75 34043 1 . GLU 76 76 34043 1 . GLU 77 77 34043 1 . THR 78 78 34043 1 . VAL 79 79 34043 1 . HIS 80 80 34043 1 . LEU 81 81 34043 1 . LYS 82 82 34043 1 . ILE 83 83 34043 1 . PRO 84 84 34043 1 . ILE 85 85 34043 1 . ALA 86 86 34043 1 . TYR 87 87 34043 1 . SER 88 88 34043 1 . LEU 89 89 34043 1 . LYS 90 90 34043 1 . GLU 91 91 34043 1 . ASP 92 92 34043 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 34043 _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 . 85962 . . 'Helicobacter pylori (strain ATCC 700392 / 26695)' e-proteobacteria . . Bacteria . Helicobacter 'Helicobacter pylori' . . . . . . . . . . . 'tonB, HP_1341' . 34043 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 34043 _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' . . 562 Escherichia coli . . . . . . . . . . 34043 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34043 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] TonB CTD, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TonB CTD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34043 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34043 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34043 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34043 _Sample_condition_list.ID 1 _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' 20 . mM 34043 1 pH 6 . pH 34043 1 pressure 1 . atm 34043 1 temperature 298 . K 34043 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34043 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34043 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34043 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34043 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34043 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34043 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34043 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34043 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34043 _Software.ID 4 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 34043 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34043 4 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 34043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34043 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 34043 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 34043 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 12 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34043 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 34043 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34043 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34043 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34043 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 34043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D HNCA' . . . 34043 1 2 '2D 1H-15N HSQC' . . . 34043 1 3 '3D HNCO' . . . 34043 1 4 '3D HNCACB' . . . 34043 1 5 '3D HN(CO)CA' . . . 34043 1 6 '3D 1H-13C NOESY aliphatic' . . . 34043 1 7 '3D 1H-15N NOESY' . . . 34043 1 8 '3D CBCA(CO)NH' . . . 34043 1 9 '3D 1H-15N TOCSY' . . . 34043 1 10 '2D 1H-13C HSQC' . . . 34043 1 11 '3D HCCH-COSY' . . . 34043 1 12 '3D HNCA' . . . 34043 1 13 '3D H(CCO)NH' . . . 34043 1 14 '3D HBHA(CO)NH' . . . 34043 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 34043 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.715 0.020 . 1 . . . A 195 ASN HA . 34043 1 2 . 1 1 2 2 ASN HB2 H 1 2.819 0.020 . 2 . . . A 195 ASN HB2 . 34043 1 3 . 1 1 2 2 ASN HB3 H 1 2.908 0.020 . 2 . . . A 195 ASN HB3 . 34043 1 4 . 1 1 2 2 ASN HD21 H 1 7.659 0.020 . 2 . . . A 195 ASN HD21 . 34043 1 5 . 1 1 2 2 ASN HD22 H 1 6.949 0.020 . 2 . . . A 195 ASN HD22 . 34043 1 6 . 1 1 2 2 ASN C C 13 175.512 0.400 . 1 . . . A 195 ASN C . 34043 1 7 . 1 1 2 2 ASN CA C 13 53.561 0.400 . 1 . . . A 195 ASN CA . 34043 1 8 . 1 1 2 2 ASN CB C 13 38.532 0.400 . 1 . . . A 195 ASN CB . 34043 1 9 . 1 1 2 2 ASN ND2 N 15 112.814 0.400 . 1 . . . A 195 ASN ND2 . 34043 1 10 . 1 1 3 3 GLU H H 1 8.678 0.020 . 1 . . . A 196 GLU H . 34043 1 11 . 1 1 3 3 GLU HA H 1 3.964 0.020 . 1 . . . A 196 GLU HA . 34043 1 12 . 1 1 3 3 GLU HB2 H 1 1.993 0.020 . 2 . . . A 196 GLU HB2 . 34043 1 13 . 1 1 3 3 GLU HB3 H 1 1.993 0.020 . 2 . . . A 196 GLU HB3 . 34043 1 14 . 1 1 3 3 GLU HG2 H 1 2.256 0.020 . 2 . . . A 196 GLU HG2 . 34043 1 15 . 1 1 3 3 GLU HG3 H 1 2.256 0.020 . 2 . . . A 196 GLU HG3 . 34043 1 16 . 1 1 3 3 GLU C C 13 177.533 0.400 . 1 . . . A 196 GLU C . 34043 1 17 . 1 1 3 3 GLU CA C 13 59.741 0.400 . 1 . . . A 196 GLU CA . 34043 1 18 . 1 1 3 3 GLU CB C 13 29.525 0.400 . 1 . . . A 196 GLU CB . 34043 1 19 . 1 1 3 3 GLU CG C 13 36.592 0.400 . 1 . . . A 196 GLU CG . 34043 1 20 . 1 1 3 3 GLU N N 15 121.975 0.400 . 1 . . . A 196 GLU N . 34043 1 21 . 1 1 4 4 PHE H H 1 8.073 0.020 . 1 . . . A 197 PHE H . 34043 1 22 . 1 1 4 4 PHE HA H 1 4.026 0.020 . 1 . . . A 197 PHE HA . 34043 1 23 . 1 1 4 4 PHE HB2 H 1 3.043 0.020 . 2 . . . A 197 PHE HB2 . 34043 1 24 . 1 1 4 4 PHE HB3 H 1 3.184 0.020 . 2 . . . A 197 PHE HB3 . 34043 1 25 . 1 1 4 4 PHE HD1 H 1 7.127 0.020 . 1 . . . A 197 PHE HD1 . 34043 1 26 . 1 1 4 4 PHE HD2 H 1 7.127 0.020 . 1 . . . A 197 PHE HD2 . 34043 1 27 . 1 1 4 4 PHE HE1 H 1 6.972 0.020 . 1 . . . A 197 PHE HE1 . 34043 1 28 . 1 1 4 4 PHE HE2 H 1 6.972 0.020 . 1 . . . A 197 PHE HE2 . 34043 1 29 . 1 1 4 4 PHE C C 13 176.401 0.400 . 1 . . . A 197 PHE C . 34043 1 30 . 1 1 4 4 PHE CA C 13 61.819 0.400 . 1 . . . A 197 PHE CA . 34043 1 31 . 1 1 4 4 PHE CB C 13 39.272 0.400 . 1 . . . A 197 PHE CB . 34043 1 32 . 1 1 4 4 PHE CD1 C 13 131.875 0.400 . 1 . . . A 197 PHE CD1 . 34043 1 33 . 1 1 4 4 PHE CE2 C 13 131.463 0.400 . 1 . . . A 197 PHE CE2 . 34043 1 34 . 1 1 4 4 PHE N N 15 121.093 0.400 . 1 . . . A 197 PHE N . 34043 1 35 . 1 1 5 5 LEU H H 1 7.862 0.020 . 1 . . . A 198 LEU H . 34043 1 36 . 1 1 5 5 LEU HA H 1 3.703 0.020 . 1 . . . A 198 LEU HA . 34043 1 37 . 1 1 5 5 LEU HB2 H 1 1.599 0.020 . 2 . . . A 198 LEU HB2 . 34043 1 38 . 1 1 5 5 LEU HB3 H 1 1.625 0.020 . 2 . . . A 198 LEU HB3 . 34043 1 39 . 1 1 5 5 LEU HG H 1 1.631 0.020 . 1 . . . A 198 LEU HG . 34043 1 40 . 1 1 5 5 LEU HD11 H 1 0.852 0.020 . 2 . . . A 198 LEU HD11 . 34043 1 41 . 1 1 5 5 LEU HD12 H 1 0.852 0.020 . 2 . . . A 198 LEU HD12 . 34043 1 42 . 1 1 5 5 LEU HD13 H 1 0.852 0.020 . 2 . . . A 198 LEU HD13 . 34043 1 43 . 1 1 5 5 LEU HD21 H 1 0.852 0.020 . 2 . . . A 198 LEU HD21 . 34043 1 44 . 1 1 5 5 LEU HD22 H 1 0.852 0.020 . 2 . . . A 198 LEU HD22 . 34043 1 45 . 1 1 5 5 LEU HD23 H 1 0.852 0.020 . 2 . . . A 198 LEU HD23 . 34043 1 46 . 1 1 5 5 LEU C C 13 179.302 0.400 . 1 . . . A 198 LEU C . 34043 1 47 . 1 1 5 5 LEU CA C 13 57.549 0.400 . 1 . . . A 198 LEU CA . 34043 1 48 . 1 1 5 5 LEU CB C 13 41.521 0.400 . 1 . . . A 198 LEU CB . 34043 1 49 . 1 1 5 5 LEU CG C 13 27.052 0.400 . 1 . . . A 198 LEU CG . 34043 1 50 . 1 1 5 5 LEU CD1 C 13 24.265 0.400 . 1 . . . A 198 LEU CD1 . 34043 1 51 . 1 1 5 5 LEU CD2 C 13 24.265 0.400 . 1 . . . A 198 LEU CD2 . 34043 1 52 . 1 1 5 5 LEU N N 15 117.937 0.400 . 1 . . . A 198 LEU N . 34043 1 53 . 1 1 6 6 MET H H 1 8.081 0.020 . 1 . . . A 199 MET H . 34043 1 54 . 1 1 6 6 MET HA H 1 4.184 0.020 . 1 . . . A 199 MET HA . 34043 1 55 . 1 1 6 6 MET HB2 H 1 2.083 0.020 . 2 . . . A 199 MET HB2 . 34043 1 56 . 1 1 6 6 MET HB3 H 1 2.087 0.020 . 2 . . . A 199 MET HB3 . 34043 1 57 . 1 1 6 6 MET HG2 H 1 2.504 0.020 . 2 . . . A 199 MET HG2 . 34043 1 58 . 1 1 6 6 MET HG3 H 1 2.599 0.020 . 2 . . . A 199 MET HG3 . 34043 1 59 . 1 1 6 6 MET HE1 H 1 1.978 0.020 . 1 . . . A 199 MET HE1 . 34043 1 60 . 1 1 6 6 MET HE2 H 1 1.978 0.020 . 1 . . . A 199 MET HE2 . 34043 1 61 . 1 1 6 6 MET HE3 H 1 1.978 0.020 . 1 . . . A 199 MET HE3 . 34043 1 62 . 1 1 6 6 MET C C 13 179.562 0.400 . 1 . . . A 199 MET C . 34043 1 63 . 1 1 6 6 MET CA C 13 58.474 0.400 . 1 . . . A 199 MET CA . 34043 1 64 . 1 1 6 6 MET CB C 13 31.854 0.400 . 1 . . . A 199 MET CB . 34043 1 65 . 1 1 6 6 MET CG C 13 31.778 0.400 . 1 . . . A 199 MET CG . 34043 1 66 . 1 1 6 6 MET CE C 13 16.737 0.400 . 1 . . . A 199 MET CE . 34043 1 67 . 1 1 6 6 MET N N 15 117.939 0.400 . 1 . . . A 199 MET N . 34043 1 68 . 1 1 7 7 LYS H H 1 8.002 0.020 . 1 . . . A 200 LYS H . 34043 1 69 . 1 1 7 7 LYS HA H 1 3.908 0.020 . 1 . . . A 200 LYS HA . 34043 1 70 . 1 1 7 7 LYS HB2 H 1 1.859 0.020 . 2 . . . A 200 LYS HB2 . 34043 1 71 . 1 1 7 7 LYS HB3 H 1 1.698 0.020 . 2 . . . A 200 LYS HB3 . 34043 1 72 . 1 1 7 7 LYS HG2 H 1 1.389 0.020 . 2 . . . A 200 LYS HG2 . 34043 1 73 . 1 1 7 7 LYS HG3 H 1 1.648 0.020 . 2 . . . A 200 LYS HG3 . 34043 1 74 . 1 1 7 7 LYS HD2 H 1 1.561 0.020 . 2 . . . A 200 LYS HD2 . 34043 1 75 . 1 1 7 7 LYS HD3 H 1 1.561 0.020 . 2 . . . A 200 LYS HD3 . 34043 1 76 . 1 1 7 7 LYS HE2 H 1 2.878 0.020 . 2 . . . A 200 LYS HE2 . 34043 1 77 . 1 1 7 7 LYS HE3 H 1 2.878 0.020 . 2 . . . A 200 LYS HE3 . 34043 1 78 . 1 1 7 7 LYS C C 13 179.978 0.400 . 1 . . . A 200 LYS C . 34043 1 79 . 1 1 7 7 LYS CA C 13 59.778 0.400 . 1 . . . A 200 LYS CA . 34043 1 80 . 1 1 7 7 LYS CB C 13 32.170 0.400 . 1 . . . A 200 LYS CB . 34043 1 81 . 1 1 7 7 LYS CG C 13 26.010 0.400 . 1 . . . A 200 LYS CG . 34043 1 82 . 1 1 7 7 LYS CD C 13 29.465 0.400 . 1 . . . A 200 LYS CD . 34043 1 83 . 1 1 7 7 LYS CE C 13 42.254 0.400 . 1 . . . A 200 LYS CE . 34043 1 84 . 1 1 7 7 LYS N N 15 120.976 0.400 . 1 . . . A 200 LYS N . 34043 1 85 . 1 1 8 8 ILE H H 1 7.422 0.020 . 1 . . . A 201 ILE H . 34043 1 86 . 1 1 8 8 ILE HA H 1 3.263 0.020 . 1 . . . A 201 ILE HA . 34043 1 87 . 1 1 8 8 ILE HB H 1 1.735 0.020 . 1 . . . A 201 ILE HB . 34043 1 88 . 1 1 8 8 ILE HG12 H 1 0.763 0.020 . 2 . . . A 201 ILE HG12 . 34043 1 89 . 1 1 8 8 ILE HG13 H 1 0.265 0.020 . 2 . . . A 201 ILE HG13 . 34043 1 90 . 1 1 8 8 ILE HG21 H 1 0.229 0.020 . 1 . . . A 201 ILE HG21 . 34043 1 91 . 1 1 8 8 ILE HG22 H 1 0.229 0.020 . 1 . . . A 201 ILE HG22 . 34043 1 92 . 1 1 8 8 ILE HG23 H 1 0.229 0.020 . 1 . . . A 201 ILE HG23 . 34043 1 93 . 1 1 8 8 ILE HD11 H 1 -0.165 0.020 . 1 . . . A 201 ILE HD11 . 34043 1 94 . 1 1 8 8 ILE HD12 H 1 -0.165 0.020 . 1 . . . A 201 ILE HD12 . 34043 1 95 . 1 1 8 8 ILE HD13 H 1 -0.165 0.020 . 1 . . . A 201 ILE HD13 . 34043 1 96 . 1 1 8 8 ILE C C 13 177.286 0.400 . 1 . . . A 201 ILE C . 34043 1 97 . 1 1 8 8 ILE CA C 13 64.116 0.400 . 1 . . . A 201 ILE CA . 34043 1 98 . 1 1 8 8 ILE CB C 13 36.726 0.400 . 1 . . . A 201 ILE CB . 34043 1 99 . 1 1 8 8 ILE CG1 C 13 28.326 0.400 . 1 . . . A 201 ILE CG1 . 34043 1 100 . 1 1 8 8 ILE CG2 C 13 16.905 0.400 . 1 . . . A 201 ILE CG2 . 34043 1 101 . 1 1 8 8 ILE CD1 C 13 12.459 0.400 . 1 . . . A 201 ILE CD1 . 34043 1 102 . 1 1 8 8 ILE N N 15 120.914 0.400 . 1 . . . A 201 ILE N . 34043 1 103 . 1 1 9 9 GLN H H 1 8.518 0.020 . 1 . . . A 202 GLN H . 34043 1 104 . 1 1 9 9 GLN HA H 1 3.782 0.020 . 1 . . . A 202 GLN HA . 34043 1 105 . 1 1 9 9 GLN HB2 H 1 2.139 0.020 . 2 . . . A 202 GLN HB2 . 34043 1 106 . 1 1 9 9 GLN HB3 H 1 2.072 0.020 . 2 . . . A 202 GLN HB3 . 34043 1 107 . 1 1 9 9 GLN HG2 H 1 2.371 0.020 . 2 . . . A 202 GLN HG2 . 34043 1 108 . 1 1 9 9 GLN HG3 H 1 2.209 0.020 . 2 . . . A 202 GLN HG3 . 34043 1 109 . 1 1 9 9 GLN HE21 H 1 6.693 0.020 . 2 . . . A 202 GLN HE21 . 34043 1 110 . 1 1 9 9 GLN HE22 H 1 7.158 0.020 . 2 . . . A 202 GLN HE22 . 34043 1 111 . 1 1 9 9 GLN C C 13 179.171 0.400 . 1 . . . A 202 GLN C . 34043 1 112 . 1 1 9 9 GLN CA C 13 59.972 0.400 . 1 . . . A 202 GLN CA . 34043 1 113 . 1 1 9 9 GLN CB C 13 28.689 0.400 . 1 . . . A 202 GLN CB . 34043 1 114 . 1 1 9 9 GLN CG C 13 34.467 0.400 . 1 . . . A 202 GLN CG . 34043 1 115 . 1 1 9 9 GLN N N 15 118.686 0.400 . 1 . . . A 202 GLN N . 34043 1 116 . 1 1 9 9 GLN NE2 N 15 109.837 0.400 . 1 . . . A 202 GLN NE2 . 34043 1 117 . 1 1 10 10 THR H H 1 8.459 0.020 . 1 . . . A 203 THR H . 34043 1 118 . 1 1 10 10 THR HA H 1 3.891 0.020 . 1 . . . A 203 THR HA . 34043 1 119 . 1 1 10 10 THR HB H 1 4.114 0.020 . 1 . . . A 203 THR HB . 34043 1 120 . 1 1 10 10 THR HG21 H 1 1.193 0.020 . 1 . . . A 203 THR HG21 . 34043 1 121 . 1 1 10 10 THR HG22 H 1 1.193 0.020 . 1 . . . A 203 THR HG22 . 34043 1 122 . 1 1 10 10 THR HG23 H 1 1.193 0.020 . 1 . . . A 203 THR HG23 . 34043 1 123 . 1 1 10 10 THR C C 13 176.513 0.400 . 1 . . . A 203 THR C . 34043 1 124 . 1 1 10 10 THR CA C 13 66.407 0.400 . 1 . . . A 203 THR CA . 34043 1 125 . 1 1 10 10 THR CB C 13 68.833 0.400 . 1 . . . A 203 THR CB . 34043 1 126 . 1 1 10 10 THR CG2 C 13 21.523 0.400 . 1 . . . A 203 THR CG2 . 34043 1 127 . 1 1 10 10 THR N N 15 116.120 0.400 . 1 . . . A 203 THR N . 34043 1 128 . 1 1 11 11 ALA H H 1 7.734 0.020 . 1 . . . A 204 ALA H . 34043 1 129 . 1 1 11 11 ALA HA H 1 4.038 0.020 . 1 . . . A 204 ALA HA . 34043 1 130 . 1 1 11 11 ALA HB1 H 1 1.582 0.020 . 1 . . . A 204 ALA HB1 . 34043 1 131 . 1 1 11 11 ALA HB2 H 1 1.582 0.020 . 1 . . . A 204 ALA HB2 . 34043 1 132 . 1 1 11 11 ALA HB3 H 1 1.582 0.020 . 1 . . . A 204 ALA HB3 . 34043 1 133 . 1 1 11 11 ALA C C 13 180.199 0.400 . 1 . . . A 204 ALA C . 34043 1 134 . 1 1 11 11 ALA CA C 13 55.378 0.400 . 1 . . . A 204 ALA CA . 34043 1 135 . 1 1 11 11 ALA CB C 13 18.628 0.400 . 1 . . . A 204 ALA CB . 34043 1 136 . 1 1 11 11 ALA N N 15 125.368 0.400 . 1 . . . A 204 ALA N . 34043 1 137 . 1 1 12 12 ILE H H 1 8.314 0.020 . 1 . . . A 205 ILE H . 34043 1 138 . 1 1 12 12 ILE HA H 1 3.259 0.020 . 1 . . . A 205 ILE HA . 34043 1 139 . 1 1 12 12 ILE HB H 1 1.742 0.020 . 1 . . . A 205 ILE HB . 34043 1 140 . 1 1 12 12 ILE HG12 H 1 2.053 0.020 . 2 . . . A 205 ILE HG12 . 34043 1 141 . 1 1 12 12 ILE HG13 H 1 2.053 0.020 . 2 . . . A 205 ILE HG13 . 34043 1 142 . 1 1 12 12 ILE HG21 H 1 0.678 0.020 . 1 . . . A 205 ILE HG21 . 34043 1 143 . 1 1 12 12 ILE HG22 H 1 0.678 0.020 . 1 . . . A 205 ILE HG22 . 34043 1 144 . 1 1 12 12 ILE HG23 H 1 0.678 0.020 . 1 . . . A 205 ILE HG23 . 34043 1 145 . 1 1 12 12 ILE HD11 H 1 0.710 0.020 . 1 . . . A 205 ILE HD11 . 34043 1 146 . 1 1 12 12 ILE HD12 H 1 0.710 0.020 . 1 . . . A 205 ILE HD12 . 34043 1 147 . 1 1 12 12 ILE HD13 H 1 0.710 0.020 . 1 . . . A 205 ILE HD13 . 34043 1 148 . 1 1 12 12 ILE C C 13 178.264 0.400 . 1 . . . A 205 ILE C . 34043 1 149 . 1 1 12 12 ILE CA C 13 66.136 0.400 . 1 . . . A 205 ILE CA . 34043 1 150 . 1 1 12 12 ILE CB C 13 38.204 0.400 . 1 . . . A 205 ILE CB . 34043 1 151 . 1 1 12 12 ILE CG1 C 13 29.970 0.400 . 1 . . . A 205 ILE CG1 . 34043 1 152 . 1 1 12 12 ILE CG2 C 13 17.155 0.400 . 1 . . . A 205 ILE CG2 . 34043 1 153 . 1 1 12 12 ILE CD1 C 13 16.037 0.400 . 1 . . . A 205 ILE CD1 . 34043 1 154 . 1 1 12 12 ILE N N 15 118.270 0.400 . 1 . . . A 205 ILE N . 34043 1 155 . 1 1 13 13 SER H H 1 8.307 0.020 . 1 . . . A 206 SER H . 34043 1 156 . 1 1 13 13 SER HA H 1 4.142 0.020 . 1 . . . A 206 SER HA . 34043 1 157 . 1 1 13 13 SER HB2 H 1 3.949 0.020 . 2 . . . A 206 SER HB2 . 34043 1 158 . 1 1 13 13 SER HB3 H 1 3.948 0.020 . 2 . . . A 206 SER HB3 . 34043 1 159 . 1 1 13 13 SER C C 13 176.898 0.400 . 1 . . . A 206 SER C . 34043 1 160 . 1 1 13 13 SER CA C 13 61.813 0.400 . 1 . . . A 206 SER CA . 34043 1 161 . 1 1 13 13 SER CB C 13 62.765 0.400 . 1 . . . A 206 SER CB . 34043 1 162 . 1 1 13 13 SER N N 15 114.261 0.400 . 1 . . . A 206 SER N . 34043 1 163 . 1 1 14 14 SER H H 1 7.810 0.020 . 1 . . . A 207 SER H . 34043 1 164 . 1 1 14 14 SER HA H 1 4.301 0.020 . 1 . . . A 207 SER HA . 34043 1 165 . 1 1 14 14 SER HB2 H 1 3.961 0.020 . 2 . . . A 207 SER HB2 . 34043 1 166 . 1 1 14 14 SER HB3 H 1 3.961 0.020 . 2 . . . A 207 SER HB3 . 34043 1 167 . 1 1 14 14 SER C C 13 175.053 0.400 . 1 . . . A 207 SER C . 34043 1 168 . 1 1 14 14 SER CA C 13 60.981 0.400 . 1 . . . A 207 SER CA . 34043 1 169 . 1 1 14 14 SER CB C 13 63.324 0.400 . 1 . . . A 207 SER CB . 34043 1 170 . 1 1 14 14 SER N N 15 115.426 0.400 . 1 . . . A 207 SER N . 34043 1 171 . 1 1 15 15 LYS H H 1 7.208 0.020 . 1 . . . A 208 LYS H . 34043 1 172 . 1 1 15 15 LYS HA H 1 4.544 0.020 . 1 . . . A 208 LYS HA . 34043 1 173 . 1 1 15 15 LYS HB2 H 1 1.731 0.020 . 2 . . . A 208 LYS HB2 . 34043 1 174 . 1 1 15 15 LYS HB3 H 1 1.975 0.020 . 2 . . . A 208 LYS HB3 . 34043 1 175 . 1 1 15 15 LYS HG2 H 1 1.435 0.020 . 2 . . . A 208 LYS HG2 . 34043 1 176 . 1 1 15 15 LYS HG3 H 1 1.435 0.020 . 2 . . . A 208 LYS HG3 . 34043 1 177 . 1 1 15 15 LYS HD2 H 1 1.710 0.020 . 2 . . . A 208 LYS HD2 . 34043 1 178 . 1 1 15 15 LYS HD3 H 1 1.710 0.020 . 2 . . . A 208 LYS HD3 . 34043 1 179 . 1 1 15 15 LYS HE2 H 1 3.166 0.020 . 2 . . . A 208 LYS HE2 . 34043 1 180 . 1 1 15 15 LYS HE3 H 1 3.166 0.020 . 2 . . . A 208 LYS HE3 . 34043 1 181 . 1 1 15 15 LYS C C 13 176.255 0.400 . 1 . . . A 208 LYS C . 34043 1 182 . 1 1 15 15 LYS CA C 13 53.518 0.400 . 1 . . . A 208 LYS CA . 34043 1 183 . 1 1 15 15 LYS CB C 13 33.081 0.400 . 1 . . . A 208 LYS CB . 34043 1 184 . 1 1 15 15 LYS CG C 13 23.335 0.400 . 1 . . . A 208 LYS CG . 34043 1 185 . 1 1 15 15 LYS CD C 13 27.604 0.400 . 1 . . . A 208 LYS CD . 34043 1 186 . 1 1 15 15 LYS CE C 13 42.251 0.400 . 1 . . . A 208 LYS CE . 34043 1 187 . 1 1 15 15 LYS N N 15 118.434 0.400 . 1 . . . A 208 LYS N . 34043 1 188 . 1 1 16 16 ASN H H 1 7.682 0.020 . 1 . . . A 209 ASN H . 34043 1 189 . 1 1 16 16 ASN HA H 1 4.586 0.020 . 1 . . . A 209 ASN HA . 34043 1 190 . 1 1 16 16 ASN HB2 H 1 2.644 0.020 . 2 . . . A 209 ASN HB2 . 34043 1 191 . 1 1 16 16 ASN HB3 H 1 2.851 0.020 . 2 . . . A 209 ASN HB3 . 34043 1 192 . 1 1 16 16 ASN HD21 H 1 7.656 0.020 . 2 . . . A 209 ASN HD21 . 34043 1 193 . 1 1 16 16 ASN HD22 H 1 7.656 0.020 . 2 . . . A 209 ASN HD22 . 34043 1 194 . 1 1 16 16 ASN C C 13 174.434 0.400 . 1 . . . A 209 ASN C . 34043 1 195 . 1 1 16 16 ASN CA C 13 53.564 0.400 . 1 . . . A 209 ASN CA . 34043 1 196 . 1 1 16 16 ASN CB C 13 37.999 0.400 . 1 . . . A 209 ASN CB . 34043 1 197 . 1 1 16 16 ASN N N 15 119.753 0.400 . 1 . . . A 209 ASN N . 34043 1 198 . 1 1 16 16 ASN ND2 N 15 109.072 0.400 . 1 . . . A 209 ASN ND2 . 34043 1 199 . 1 1 17 17 ARG H H 1 8.226 0.020 . 1 . . . A 210 ARG H . 34043 1 200 . 1 1 17 17 ARG HA H 1 4.525 0.020 . 1 . . . A 210 ARG HA . 34043 1 201 . 1 1 17 17 ARG HB2 H 1 1.686 0.020 . 2 . . . A 210 ARG HB2 . 34043 1 202 . 1 1 17 17 ARG HB3 H 1 1.686 0.020 . 2 . . . A 210 ARG HB3 . 34043 1 203 . 1 1 17 17 ARG HG2 H 1 1.512 0.020 . 2 . . . A 210 ARG HG2 . 34043 1 204 . 1 1 17 17 ARG HG3 H 1 1.512 0.020 . 2 . . . A 210 ARG HG3 . 34043 1 205 . 1 1 17 17 ARG HD2 H 1 3.179 0.020 . 2 . . . A 210 ARG HD2 . 34043 1 206 . 1 1 17 17 ARG HD3 H 1 3.179 0.020 . 2 . . . A 210 ARG HD3 . 34043 1 207 . 1 1 17 17 ARG C C 13 174.233 0.400 . 1 . . . A 210 ARG C . 34043 1 208 . 1 1 17 17 ARG CA C 13 54.555 0.400 . 1 . . . A 210 ARG CA . 34043 1 209 . 1 1 17 17 ARG CB C 13 32.094 0.400 . 1 . . . A 210 ARG CB . 34043 1 210 . 1 1 17 17 ARG N N 15 126.431 0.400 . 1 . . . A 210 ARG N . 34043 1 211 . 1 1 18 18 TYR H H 1 8.782 0.020 . 1 . . . A 211 TYR H . 34043 1 212 . 1 1 18 18 TYR HA H 1 4.617 0.020 . 1 . . . A 211 TYR HA . 34043 1 213 . 1 1 18 18 TYR HB2 H 1 3.032 0.020 . 2 . . . A 211 TYR HB2 . 34043 1 214 . 1 1 18 18 TYR HB3 H 1 3.367 0.020 . 2 . . . A 211 TYR HB3 . 34043 1 215 . 1 1 18 18 TYR HD1 H 1 6.937 0.020 . 1 . . . A 211 TYR HD1 . 34043 1 216 . 1 1 18 18 TYR HD2 H 1 6.937 0.020 . 1 . . . A 211 TYR HD2 . 34043 1 217 . 1 1 18 18 TYR HE1 H 1 6.598 0.020 . 1 . . . A 211 TYR HE1 . 34043 1 218 . 1 1 18 18 TYR HE2 H 1 6.598 0.020 . 1 . . . A 211 TYR HE2 . 34043 1 219 . 1 1 18 18 TYR CA C 13 53.626 0.400 . 1 . . . A 211 TYR CA . 34043 1 220 . 1 1 18 18 TYR CB C 13 38.630 0.400 . 1 . . . A 211 TYR CB . 34043 1 221 . 1 1 18 18 TYR CD2 C 13 131.410 0.400 . 1 . . . A 211 TYR CD2 . 34043 1 222 . 1 1 18 18 TYR CE1 C 13 117.780 0.400 . 1 . . . A 211 TYR CE1 . 34043 1 223 . 1 1 18 18 TYR N N 15 128.316 0.400 . 1 . . . A 211 TYR N . 34043 1 224 . 1 1 19 19 PRO HA H 1 4.302 0.020 . 1 . . . A 212 PRO HA . 34043 1 225 . 1 1 19 19 PRO HB2 H 1 2.445 0.020 . 2 . . . A 212 PRO HB2 . 34043 1 226 . 1 1 19 19 PRO HB3 H 1 2.445 0.020 . 2 . . . A 212 PRO HB3 . 34043 1 227 . 1 1 19 19 PRO HG2 H 1 1.842 0.020 . 2 . . . A 212 PRO HG2 . 34043 1 228 . 1 1 19 19 PRO HG3 H 1 1.949 0.020 . 2 . . . A 212 PRO HG3 . 34043 1 229 . 1 1 19 19 PRO HD2 H 1 3.088 0.020 . 2 . . . A 212 PRO HD2 . 34043 1 230 . 1 1 19 19 PRO HD3 H 1 4.200 0.020 . 2 . . . A 212 PRO HD3 . 34043 1 231 . 1 1 19 19 PRO CA C 13 63.571 0.400 . 1 . . . A 212 PRO CA . 34043 1 232 . 1 1 19 19 PRO CB C 13 32.200 0.400 . 1 . . . A 212 PRO CB . 34043 1 233 . 1 1 19 19 PRO CG C 13 28.273 0.400 . 1 . . . A 212 PRO CG . 34043 1 234 . 1 1 19 19 PRO CD C 13 50.500 0.400 . 1 . . . A 212 PRO CD . 34043 1 235 . 1 1 20 20 LYS C C 13 178.286 0.400 . 1 . . . A 213 LYS C . 34043 1 236 . 1 1 21 21 MET H H 1 8.860 0.020 . 1 . . . A 214 MET H . 34043 1 237 . 1 1 21 21 MET HA H 1 4.199 0.020 . 1 . . . A 214 MET HA . 34043 1 238 . 1 1 21 21 MET HB2 H 1 1.957 0.020 . 2 . . . A 214 MET HB2 . 34043 1 239 . 1 1 21 21 MET HB3 H 1 1.957 0.020 . 2 . . . A 214 MET HB3 . 34043 1 240 . 1 1 21 21 MET HE1 H 1 1.962 0.020 . 1 . . . A 214 MET HE1 . 34043 1 241 . 1 1 21 21 MET HE2 H 1 1.962 0.020 . 1 . . . A 214 MET HE2 . 34043 1 242 . 1 1 21 21 MET HE3 H 1 1.962 0.020 . 1 . . . A 214 MET HE3 . 34043 1 243 . 1 1 21 21 MET CA C 13 57.287 0.400 . 1 . . . A 214 MET CA . 34043 1 244 . 1 1 21 21 MET CE C 13 16.736 0.400 . 1 . . . A 214 MET CE . 34043 1 245 . 1 1 21 21 MET N N 15 114.366 0.400 . 1 . . . A 214 MET N . 34043 1 246 . 1 1 22 22 ALA H H 1 6.977 0.020 . 1 . . . A 215 ALA H . 34043 1 247 . 1 1 22 22 ALA HA H 1 4.079 0.020 . 1 . . . A 215 ALA HA . 34043 1 248 . 1 1 22 22 ALA HB1 H 1 1.430 0.020 . 1 . . . A 215 ALA HB1 . 34043 1 249 . 1 1 22 22 ALA HB2 H 1 1.430 0.020 . 1 . . . A 215 ALA HB2 . 34043 1 250 . 1 1 22 22 ALA HB3 H 1 1.430 0.020 . 1 . . . A 215 ALA HB3 . 34043 1 251 . 1 1 22 22 ALA C C 13 178.032 0.400 . 1 . . . A 215 ALA C . 34043 1 252 . 1 1 22 22 ALA CA C 13 54.283 0.400 . 1 . . . A 215 ALA CA . 34043 1 253 . 1 1 22 22 ALA CB C 13 19.021 0.400 . 1 . . . A 215 ALA CB . 34043 1 254 . 1 1 22 22 ALA N N 15 117.684 0.400 . 1 . . . A 215 ALA N . 34043 1 255 . 1 1 23 23 GLN H H 1 7.593 0.020 . 1 . . . A 216 GLN H . 34043 1 256 . 1 1 23 23 GLN HA H 1 3.632 0.020 . 1 . . . A 216 GLN HA . 34043 1 257 . 1 1 23 23 GLN HB2 H 1 1.776 0.020 . 2 . . . A 216 GLN HB2 . 34043 1 258 . 1 1 23 23 GLN HB3 H 1 1.902 0.020 . 2 . . . A 216 GLN HB3 . 34043 1 259 . 1 1 23 23 GLN HG2 H 1 1.282 0.020 . 2 . . . A 216 GLN HG2 . 34043 1 260 . 1 1 23 23 GLN HG3 H 1 1.282 0.020 . 2 . . . A 216 GLN HG3 . 34043 1 261 . 1 1 23 23 GLN HE21 H 1 6.774 0.020 . 2 . . . A 216 GLN HE21 . 34043 1 262 . 1 1 23 23 GLN HE22 H 1 6.827 0.020 . 2 . . . A 216 GLN HE22 . 34043 1 263 . 1 1 23 23 GLN C C 13 179.440 0.400 . 1 . . . A 216 GLN C . 34043 1 264 . 1 1 23 23 GLN CA C 13 59.478 0.400 . 1 . . . A 216 GLN CA . 34043 1 265 . 1 1 23 23 GLN CB C 13 28.437 0.400 . 1 . . . A 216 GLN CB . 34043 1 266 . 1 1 23 23 GLN CG C 13 33.363 0.400 . 1 . . . A 216 GLN CG . 34043 1 267 . 1 1 23 23 GLN N N 15 118.431 0.400 . 1 . . . A 216 GLN N . 34043 1 268 . 1 1 23 23 GLN NE2 N 15 111.914 0.400 . 1 . . . A 216 GLN NE2 . 34043 1 269 . 1 1 24 24 ILE H H 1 8.221 0.020 . 1 . . . A 217 ILE H . 34043 1 270 . 1 1 24 24 ILE HA H 1 3.799 0.020 . 1 . . . A 217 ILE HA . 34043 1 271 . 1 1 24 24 ILE HB H 1 1.830 0.020 . 1 . . . A 217 ILE HB . 34043 1 272 . 1 1 24 24 ILE HG12 H 1 1.209 0.020 . 2 . . . A 217 ILE HG12 . 34043 1 273 . 1 1 24 24 ILE HG13 H 1 1.455 0.020 . 2 . . . A 217 ILE HG13 . 34043 1 274 . 1 1 24 24 ILE HG21 H 1 0.846 0.020 . 1 . . . A 217 ILE HG21 . 34043 1 275 . 1 1 24 24 ILE HG22 H 1 0.846 0.020 . 1 . . . A 217 ILE HG22 . 34043 1 276 . 1 1 24 24 ILE HG23 H 1 0.846 0.020 . 1 . . . A 217 ILE HG23 . 34043 1 277 . 1 1 24 24 ILE HD11 H 1 0.764 0.020 . 1 . . . A 217 ILE HD11 . 34043 1 278 . 1 1 24 24 ILE HD12 H 1 0.764 0.020 . 1 . . . A 217 ILE HD12 . 34043 1 279 . 1 1 24 24 ILE HD13 H 1 0.764 0.020 . 1 . . . A 217 ILE HD13 . 34043 1 280 . 1 1 24 24 ILE C C 13 177.541 0.400 . 1 . . . A 217 ILE C . 34043 1 281 . 1 1 24 24 ILE CA C 13 63.989 0.400 . 1 . . . A 217 ILE CA . 34043 1 282 . 1 1 24 24 ILE CB C 13 38.149 0.400 . 1 . . . A 217 ILE CB . 34043 1 283 . 1 1 24 24 ILE CG1 C 13 28.275 0.400 . 1 . . . A 217 ILE CG1 . 34043 1 284 . 1 1 24 24 ILE CG2 C 13 17.209 0.400 . 1 . . . A 217 ILE CG2 . 34043 1 285 . 1 1 24 24 ILE CD1 C 13 13.525 0.400 . 1 . . . A 217 ILE CD1 . 34043 1 286 . 1 1 24 24 ILE N N 15 117.124 0.400 . 1 . . . A 217 ILE N . 34043 1 287 . 1 1 25 25 ARG H H 1 7.178 0.020 . 1 . . . A 218 ARG H . 34043 1 288 . 1 1 25 25 ARG HA H 1 4.287 0.020 . 1 . . . A 218 ARG HA . 34043 1 289 . 1 1 25 25 ARG HB2 H 1 2.024 0.020 . 2 . . . A 218 ARG HB2 . 34043 1 290 . 1 1 25 25 ARG HB3 H 1 2.024 0.020 . 2 . . . A 218 ARG HB3 . 34043 1 291 . 1 1 25 25 ARG HG2 H 1 1.496 0.020 . 2 . . . A 218 ARG HG2 . 34043 1 292 . 1 1 25 25 ARG HG3 H 1 1.587 0.020 . 2 . . . A 218 ARG HG3 . 34043 1 293 . 1 1 25 25 ARG HD2 H 1 3.080 0.020 . 2 . . . A 218 ARG HD2 . 34043 1 294 . 1 1 25 25 ARG HD3 H 1 3.184 0.020 . 2 . . . A 218 ARG HD3 . 34043 1 295 . 1 1 25 25 ARG C C 13 176.070 0.400 . 1 . . . A 218 ARG C . 34043 1 296 . 1 1 25 25 ARG CA C 13 55.878 0.400 . 1 . . . A 218 ARG CA . 34043 1 297 . 1 1 25 25 ARG CB C 13 31.000 0.400 . 1 . . . A 218 ARG CB . 34043 1 298 . 1 1 25 25 ARG CG C 13 28.031 0.400 . 1 . . . A 218 ARG CG . 34043 1 299 . 1 1 25 25 ARG CD C 13 43.285 0.400 . 1 . . . A 218 ARG CD . 34043 1 300 . 1 1 25 25 ARG N N 15 117.167 0.400 . 1 . . . A 218 ARG N . 34043 1 301 . 1 1 26 26 GLY H H 1 7.764 0.020 . 1 . . . A 219 GLY H . 34043 1 302 . 1 1 26 26 GLY HA2 H 1 3.881 0.020 . 2 . . . A 219 GLY HA2 . 34043 1 303 . 1 1 26 26 GLY HA3 H 1 3.585 0.020 . 2 . . . A 219 GLY HA3 . 34043 1 304 . 1 1 26 26 GLY C C 13 174.033 0.400 . 1 . . . A 219 GLY C . 34043 1 305 . 1 1 26 26 GLY CA C 13 46.672 0.400 . 1 . . . A 219 GLY CA . 34043 1 306 . 1 1 26 26 GLY N N 15 109.751 0.400 . 1 . . . A 219 GLY N . 34043 1 307 . 1 1 27 27 ILE H H 1 8.219 0.020 . 1 . . . A 220 ILE H . 34043 1 308 . 1 1 27 27 ILE HA H 1 3.999 0.020 . 1 . . . A 220 ILE HA . 34043 1 309 . 1 1 27 27 ILE HB H 1 1.616 0.020 . 1 . . . A 220 ILE HB . 34043 1 310 . 1 1 27 27 ILE HG12 H 1 1.037 0.020 . 2 . . . A 220 ILE HG12 . 34043 1 311 . 1 1 27 27 ILE HG13 H 1 1.390 0.020 . 2 . . . A 220 ILE HG13 . 34043 1 312 . 1 1 27 27 ILE HG21 H 1 0.767 0.020 . 1 . . . A 220 ILE HG21 . 34043 1 313 . 1 1 27 27 ILE HG22 H 1 0.767 0.020 . 1 . . . A 220 ILE HG22 . 34043 1 314 . 1 1 27 27 ILE HG23 H 1 0.767 0.020 . 1 . . . A 220 ILE HG23 . 34043 1 315 . 1 1 27 27 ILE HD11 H 1 0.730 0.020 . 1 . . . A 220 ILE HD11 . 34043 1 316 . 1 1 27 27 ILE HD12 H 1 0.730 0.020 . 1 . . . A 220 ILE HD12 . 34043 1 317 . 1 1 27 27 ILE HD13 H 1 0.730 0.020 . 1 . . . A 220 ILE HD13 . 34043 1 318 . 1 1 27 27 ILE C C 13 174.471 0.400 . 1 . . . A 220 ILE C . 34043 1 319 . 1 1 27 27 ILE CA C 13 61.668 0.400 . 1 . . . A 220 ILE CA . 34043 1 320 . 1 1 27 27 ILE CB C 13 38.029 0.400 . 1 . . . A 220 ILE CB . 34043 1 321 . 1 1 27 27 ILE CG1 C 13 27.206 0.400 . 1 . . . A 220 ILE CG1 . 34043 1 322 . 1 1 27 27 ILE CG2 C 13 16.901 0.400 . 1 . . . A 220 ILE CG2 . 34043 1 323 . 1 1 27 27 ILE CD1 C 13 12.944 0.400 . 1 . . . A 220 ILE CD1 . 34043 1 324 . 1 1 27 27 ILE N N 15 121.568 0.400 . 1 . . . A 220 ILE N . 34043 1 325 . 1 1 28 28 GLU H H 1 8.401 0.020 . 1 . . . A 221 GLU H . 34043 1 326 . 1 1 28 28 GLU HA H 1 4.466 0.020 . 1 . . . A 221 GLU HA . 34043 1 327 . 1 1 28 28 GLU HB2 H 1 2.263 0.020 . 2 . . . A 221 GLU HB2 . 34043 1 328 . 1 1 28 28 GLU HB3 H 1 2.031 0.020 . 2 . . . A 221 GLU HB3 . 34043 1 329 . 1 1 28 28 GLU HG2 H 1 1.978 0.020 . 2 . . . A 221 GLU HG2 . 34043 1 330 . 1 1 28 28 GLU HG3 H 1 2.032 0.020 . 2 . . . A 221 GLU HG3 . 34043 1 331 . 1 1 28 28 GLU C C 13 175.126 0.400 . 1 . . . A 221 GLU C . 34043 1 332 . 1 1 28 28 GLU CA C 13 54.774 0.400 . 1 . . . A 221 GLU CA . 34043 1 333 . 1 1 28 28 GLU CB C 13 34.313 0.400 . 1 . . . A 221 GLU CB . 34043 1 334 . 1 1 28 28 GLU CG C 13 36.799 0.400 . 1 . . . A 221 GLU CG . 34043 1 335 . 1 1 28 28 GLU N N 15 126.846 0.400 . 1 . . . A 221 GLU N . 34043 1 336 . 1 1 29 29 GLY H H 1 8.488 0.020 . 1 . . . A 222 GLY H . 34043 1 337 . 1 1 29 29 GLY HA2 H 1 4.071 0.020 . 2 . . . A 222 GLY HA2 . 34043 1 338 . 1 1 29 29 GLY HA3 H 1 4.161 0.020 . 2 . . . A 222 GLY HA3 . 34043 1 339 . 1 1 29 29 GLY C C 13 170.452 0.400 . 1 . . . A 222 GLY C . 34043 1 340 . 1 1 29 29 GLY CA C 13 45.809 0.400 . 1 . . . A 222 GLY CA . 34043 1 341 . 1 1 29 29 GLY N N 15 106.086 0.400 . 1 . . . A 222 GLY N . 34043 1 342 . 1 1 30 30 GLU H H 1 9.458 0.020 . 1 . . . A 223 GLU H . 34043 1 343 . 1 1 30 30 GLU HA H 1 5.025 0.020 . 1 . . . A 223 GLU HA . 34043 1 344 . 1 1 30 30 GLU HB2 H 1 1.793 0.020 . 2 . . . A 223 GLU HB2 . 34043 1 345 . 1 1 30 30 GLU HB3 H 1 1.793 0.020 . 2 . . . A 223 GLU HB3 . 34043 1 346 . 1 1 30 30 GLU HG2 H 1 1.788 0.020 . 2 . . . A 223 GLU HG2 . 34043 1 347 . 1 1 30 30 GLU HG3 H 1 1.788 0.020 . 2 . . . A 223 GLU HG3 . 34043 1 348 . 1 1 30 30 GLU C C 13 174.209 0.400 . 1 . . . A 223 GLU C . 34043 1 349 . 1 1 30 30 GLU CA C 13 55.674 0.400 . 1 . . . A 223 GLU CA . 34043 1 350 . 1 1 30 30 GLU CB C 13 33.239 0.400 . 1 . . . A 223 GLU CB . 34043 1 351 . 1 1 30 30 GLU CG C 13 37.517 0.400 . 1 . . . A 223 GLU CG . 34043 1 352 . 1 1 30 30 GLU N N 15 121.308 0.400 . 1 . . . A 223 GLU N . 34043 1 353 . 1 1 31 31 VAL H H 1 9.018 0.020 . 1 . . . A 224 VAL H . 34043 1 354 . 1 1 31 31 VAL HA H 1 4.339 0.020 . 1 . . . A 224 VAL HA . 34043 1 355 . 1 1 31 31 VAL HB H 1 2.016 0.020 . 1 . . . A 224 VAL HB . 34043 1 356 . 1 1 31 31 VAL HG11 H 1 0.916 0.020 . 2 . . . A 224 VAL HG11 . 34043 1 357 . 1 1 31 31 VAL HG12 H 1 0.916 0.020 . 2 . . . A 224 VAL HG12 . 34043 1 358 . 1 1 31 31 VAL HG13 H 1 0.916 0.020 . 2 . . . A 224 VAL HG13 . 34043 1 359 . 1 1 31 31 VAL HG21 H 1 0.896 0.020 . 2 . . . A 224 VAL HG21 . 34043 1 360 . 1 1 31 31 VAL HG22 H 1 0.896 0.020 . 2 . . . A 224 VAL HG22 . 34043 1 361 . 1 1 31 31 VAL HG23 H 1 0.896 0.020 . 2 . . . A 224 VAL HG23 . 34043 1 362 . 1 1 31 31 VAL C C 13 174.137 0.400 . 1 . . . A 224 VAL C . 34043 1 363 . 1 1 31 31 VAL CA C 13 61.018 0.400 . 1 . . . A 224 VAL CA . 34043 1 364 . 1 1 31 31 VAL CB C 13 34.667 0.400 . 1 . . . A 224 VAL CB . 34043 1 365 . 1 1 31 31 VAL CG1 C 13 22.964 0.400 . 1 . . . A 224 VAL CG1 . 34043 1 366 . 1 1 31 31 VAL CG2 C 13 19.639 0.400 . 1 . . . A 224 VAL CG2 . 34043 1 367 . 1 1 31 31 VAL N N 15 127.611 0.400 . 1 . . . A 224 VAL N . 34043 1 368 . 1 1 32 32 LEU H H 1 9.045 0.020 . 1 . . . A 225 LEU H . 34043 1 369 . 1 1 32 32 LEU HA H 1 4.813 0.020 . 1 . . . A 225 LEU HA . 34043 1 370 . 1 1 32 32 LEU HB2 H 1 1.334 0.020 . 2 . . . A 225 LEU HB2 . 34043 1 371 . 1 1 32 32 LEU HB3 H 1 1.873 0.020 . 2 . . . A 225 LEU HB3 . 34043 1 372 . 1 1 32 32 LEU HG H 1 1.099 0.020 . 1 . . . A 225 LEU HG . 34043 1 373 . 1 1 32 32 LEU HD11 H 1 0.727 0.020 . 2 . . . A 225 LEU HD11 . 34043 1 374 . 1 1 32 32 LEU HD12 H 1 0.727 0.020 . 2 . . . A 225 LEU HD12 . 34043 1 375 . 1 1 32 32 LEU HD13 H 1 0.727 0.020 . 2 . . . A 225 LEU HD13 . 34043 1 376 . 1 1 32 32 LEU HD21 H 1 0.620 0.020 . 2 . . . A 225 LEU HD21 . 34043 1 377 . 1 1 32 32 LEU HD22 H 1 0.620 0.020 . 2 . . . A 225 LEU HD22 . 34043 1 378 . 1 1 32 32 LEU HD23 H 1 0.620 0.020 . 2 . . . A 225 LEU HD23 . 34043 1 379 . 1 1 32 32 LEU C C 13 175.248 0.400 . 1 . . . A 225 LEU C . 34043 1 380 . 1 1 32 32 LEU CA C 13 54.226 0.400 . 1 . . . A 225 LEU CA . 34043 1 381 . 1 1 32 32 LEU CB C 13 43.322 0.400 . 1 . . . A 225 LEU CB . 34043 1 382 . 1 1 32 32 LEU CG C 13 27.067 0.400 . 1 . . . A 225 LEU CG . 34043 1 383 . 1 1 32 32 LEU CD1 C 13 25.808 0.400 . 1 . . . A 225 LEU CD1 . 34043 1 384 . 1 1 32 32 LEU CD2 C 13 22.747 0.400 . 1 . . . A 225 LEU CD2 . 34043 1 385 . 1 1 32 32 LEU N N 15 129.637 0.400 . 1 . . . A 225 LEU N . 34043 1 386 . 1 1 33 33 VAL H H 1 8.519 0.020 . 1 . . . A 226 VAL H . 34043 1 387 . 1 1 33 33 VAL HA H 1 5.001 0.020 . 1 . . . A 226 VAL HA . 34043 1 388 . 1 1 33 33 VAL HB H 1 2.039 0.020 . 1 . . . A 226 VAL HB . 34043 1 389 . 1 1 33 33 VAL HG11 H 1 0.916 0.020 . 2 . . . A 226 VAL HG11 . 34043 1 390 . 1 1 33 33 VAL HG12 H 1 0.916 0.020 . 2 . . . A 226 VAL HG12 . 34043 1 391 . 1 1 33 33 VAL HG13 H 1 0.916 0.020 . 2 . . . A 226 VAL HG13 . 34043 1 392 . 1 1 33 33 VAL HG21 H 1 0.925 0.020 . 2 . . . A 226 VAL HG21 . 34043 1 393 . 1 1 33 33 VAL HG22 H 1 0.925 0.020 . 2 . . . A 226 VAL HG22 . 34043 1 394 . 1 1 33 33 VAL HG23 H 1 0.925 0.020 . 2 . . . A 226 VAL HG23 . 34043 1 395 . 1 1 33 33 VAL C C 13 174.234 0.400 . 1 . . . A 226 VAL C . 34043 1 396 . 1 1 33 33 VAL CA C 13 60.267 0.400 . 1 . . . A 226 VAL CA . 34043 1 397 . 1 1 33 33 VAL CB C 13 34.457 0.400 . 1 . . . A 226 VAL CB . 34043 1 398 . 1 1 33 33 VAL CG1 C 13 22.947 0.400 . 1 . . . A 226 VAL CG1 . 34043 1 399 . 1 1 33 33 VAL CG2 C 13 21.293 0.400 . 1 . . . A 226 VAL CG2 . 34043 1 400 . 1 1 33 33 VAL N N 15 126.049 0.400 . 1 . . . A 226 VAL N . 34043 1 401 . 1 1 34 34 SER H H 1 9.363 0.020 . 1 . . . A 227 SER H . 34043 1 402 . 1 1 34 34 SER HA H 1 5.621 0.020 . 1 . . . A 227 SER HA . 34043 1 403 . 1 1 34 34 SER HB2 H 1 3.481 0.020 . 2 . . . A 227 SER HB2 . 34043 1 404 . 1 1 34 34 SER HB3 H 1 3.943 0.020 . 2 . . . A 227 SER HB3 . 34043 1 405 . 1 1 34 34 SER C C 13 172.998 0.400 . 1 . . . A 227 SER C . 34043 1 406 . 1 1 34 34 SER CA C 13 55.530 0.400 . 1 . . . A 227 SER CA . 34043 1 407 . 1 1 34 34 SER CB C 13 66.696 0.400 . 1 . . . A 227 SER CB . 34043 1 408 . 1 1 34 34 SER N N 15 119.057 0.400 . 1 . . . A 227 SER N . 34043 1 409 . 1 1 35 35 PHE H H 1 8.128 0.020 . 1 . . . A 228 PHE H . 34043 1 410 . 1 1 35 35 PHE HA H 1 4.904 0.020 . 1 . . . A 228 PHE HA . 34043 1 411 . 1 1 35 35 PHE HB2 H 1 2.813 0.020 . 2 . . . A 228 PHE HB2 . 34043 1 412 . 1 1 35 35 PHE HB3 H 1 3.521 0.020 . 2 . . . A 228 PHE HB3 . 34043 1 413 . 1 1 35 35 PHE HD1 H 1 6.818 0.020 . 1 . . . A 228 PHE HD1 . 34043 1 414 . 1 1 35 35 PHE HD2 H 1 6.818 0.020 . 1 . . . A 228 PHE HD2 . 34043 1 415 . 1 1 35 35 PHE HE1 H 1 6.842 0.020 . 1 . . . A 228 PHE HE1 . 34043 1 416 . 1 1 35 35 PHE HE2 H 1 6.842 0.020 . 1 . . . A 228 PHE HE2 . 34043 1 417 . 1 1 35 35 PHE C C 13 172.313 0.400 . 1 . . . A 228 PHE C . 34043 1 418 . 1 1 35 35 PHE CA C 13 56.777 0.400 . 1 . . . A 228 PHE CA . 34043 1 419 . 1 1 35 35 PHE CB C 13 39.900 0.400 . 1 . . . A 228 PHE CB . 34043 1 420 . 1 1 35 35 PHE CD2 C 13 132.328 0.400 . 1 . . . A 228 PHE CD2 . 34043 1 421 . 1 1 35 35 PHE CE1 C 13 130.191 0.400 . 1 . . . A 228 PHE CE1 . 34043 1 422 . 1 1 35 35 PHE N N 15 113.759 0.400 . 1 . . . A 228 PHE N . 34043 1 423 . 1 1 36 36 THR H H 1 8.940 0.020 . 1 . . . A 229 THR H . 34043 1 424 . 1 1 36 36 THR HA H 1 5.060 0.020 . 1 . . . A 229 THR HA . 34043 1 425 . 1 1 36 36 THR HB H 1 3.972 0.020 . 1 . . . A 229 THR HB . 34043 1 426 . 1 1 36 36 THR HG21 H 1 0.876 0.020 . 1 . . . A 229 THR HG21 . 34043 1 427 . 1 1 36 36 THR HG22 H 1 0.876 0.020 . 1 . . . A 229 THR HG22 . 34043 1 428 . 1 1 36 36 THR HG23 H 1 0.876 0.020 . 1 . . . A 229 THR HG23 . 34043 1 429 . 1 1 36 36 THR C C 13 173.847 0.400 . 1 . . . A 229 THR C . 34043 1 430 . 1 1 36 36 THR CA C 13 61.390 0.400 . 1 . . . A 229 THR CA . 34043 1 431 . 1 1 36 36 THR CB C 13 71.513 0.400 . 1 . . . A 229 THR CB . 34043 1 432 . 1 1 36 36 THR CG2 C 13 22.610 0.400 . 1 . . . A 229 THR CG2 . 34043 1 433 . 1 1 36 36 THR N N 15 118.638 0.400 . 1 . . . A 229 THR N . 34043 1 434 . 1 1 37 37 ILE H H 1 8.841 0.020 . 1 . . . A 230 ILE H . 34043 1 435 . 1 1 37 37 ILE HA H 1 4.956 0.020 . 1 . . . A 230 ILE HA . 34043 1 436 . 1 1 37 37 ILE HB H 1 1.760 0.020 . 1 . . . A 230 ILE HB . 34043 1 437 . 1 1 37 37 ILE HG12 H 1 1.187 0.020 . 2 . . . A 230 ILE HG12 . 34043 1 438 . 1 1 37 37 ILE HG13 H 1 1.795 0.020 . 2 . . . A 230 ILE HG13 . 34043 1 439 . 1 1 37 37 ILE HG21 H 1 1.118 0.020 . 1 . . . A 230 ILE HG21 . 34043 1 440 . 1 1 37 37 ILE HG22 H 1 1.118 0.020 . 1 . . . A 230 ILE HG22 . 34043 1 441 . 1 1 37 37 ILE HG23 H 1 1.118 0.020 . 1 . . . A 230 ILE HG23 . 34043 1 442 . 1 1 37 37 ILE HD11 H 1 0.922 0.020 . 1 . . . A 230 ILE HD11 . 34043 1 443 . 1 1 37 37 ILE HD12 H 1 0.922 0.020 . 1 . . . A 230 ILE HD12 . 34043 1 444 . 1 1 37 37 ILE HD13 H 1 0.922 0.020 . 1 . . . A 230 ILE HD13 . 34043 1 445 . 1 1 37 37 ILE C C 13 174.866 0.400 . 1 . . . A 230 ILE C . 34043 1 446 . 1 1 37 37 ILE CA C 13 60.612 0.400 . 1 . . . A 230 ILE CA . 34043 1 447 . 1 1 37 37 ILE CB C 13 39.309 0.400 . 1 . . . A 230 ILE CB . 34043 1 448 . 1 1 37 37 ILE CG1 C 13 27.488 0.400 . 1 . . . A 230 ILE CG1 . 34043 1 449 . 1 1 37 37 ILE CG2 C 13 17.698 0.400 . 1 . . . A 230 ILE CG2 . 34043 1 450 . 1 1 37 37 ILE CD1 C 13 15.975 0.400 . 1 . . . A 230 ILE CD1 . 34043 1 451 . 1 1 37 37 ILE N N 15 123.922 0.400 . 1 . . . A 230 ILE N . 34043 1 452 . 1 1 38 38 ASN H H 1 8.868 0.020 . 1 . . . A 231 ASN H . 34043 1 453 . 1 1 38 38 ASN HA H 1 4.826 0.020 . 1 . . . A 231 ASN HA . 34043 1 454 . 1 1 38 38 ASN HB2 H 1 2.705 0.020 . 2 . . . A 231 ASN HB2 . 34043 1 455 . 1 1 38 38 ASN HB3 H 1 2.853 0.020 . 2 . . . A 231 ASN HB3 . 34043 1 456 . 1 1 38 38 ASN HD21 H 1 6.795 0.020 . 2 . . . A 231 ASN HD21 . 34043 1 457 . 1 1 38 38 ASN HD22 H 1 7.145 0.020 . 2 . . . A 231 ASN HD22 . 34043 1 458 . 1 1 38 38 ASN C C 13 176.429 0.400 . 1 . . . A 231 ASN C . 34043 1 459 . 1 1 38 38 ASN CA C 13 53.376 0.400 . 1 . . . A 231 ASN CA . 34043 1 460 . 1 1 38 38 ASN CB C 13 40.587 0.400 . 1 . . . A 231 ASN CB . 34043 1 461 . 1 1 38 38 ASN CG C 13 176.799 0.400 . 1 . . . A 231 ASN CG . 34043 1 462 . 1 1 38 38 ASN N N 15 123.928 0.400 . 1 . . . A 231 ASN N . 34043 1 463 . 1 1 38 38 ASN ND2 N 15 116.128 0.400 . 1 . . . A 231 ASN ND2 . 34043 1 464 . 1 1 39 39 ALA H H 1 8.252 0.020 . 1 . . . A 232 ALA H . 34043 1 465 . 1 1 39 39 ALA HA H 1 3.903 0.020 . 1 . . . A 232 ALA HA . 34043 1 466 . 1 1 39 39 ALA HB1 H 1 1.210 0.020 . 1 . . . A 232 ALA HB1 . 34043 1 467 . 1 1 39 39 ALA HB2 H 1 1.210 0.020 . 1 . . . A 232 ALA HB2 . 34043 1 468 . 1 1 39 39 ALA HB3 H 1 1.210 0.020 . 1 . . . A 232 ALA HB3 . 34043 1 469 . 1 1 39 39 ALA C C 13 176.768 0.400 . 1 . . . A 232 ALA C . 34043 1 470 . 1 1 39 39 ALA CA C 13 54.467 0.400 . 1 . . . A 232 ALA CA . 34043 1 471 . 1 1 39 39 ALA CB C 13 17.988 0.400 . 1 . . . A 232 ALA CB . 34043 1 472 . 1 1 39 39 ALA N N 15 122.641 0.400 . 1 . . . A 232 ALA N . 34043 1 473 . 1 1 40 40 ASP H H 1 7.489 0.020 . 1 . . . A 233 ASP H . 34043 1 474 . 1 1 40 40 ASP HA H 1 4.440 0.020 . 1 . . . A 233 ASP HA . 34043 1 475 . 1 1 40 40 ASP HB2 H 1 3.003 0.020 . 2 . . . A 233 ASP HB2 . 34043 1 476 . 1 1 40 40 ASP HB3 H 1 2.531 0.020 . 2 . . . A 233 ASP HB3 . 34043 1 477 . 1 1 40 40 ASP C C 13 177.680 0.400 . 1 . . . A 233 ASP C . 34043 1 478 . 1 1 40 40 ASP CA C 13 53.237 0.400 . 1 . . . A 233 ASP CA . 34043 1 479 . 1 1 40 40 ASP CB C 13 39.724 0.400 . 1 . . . A 233 ASP CB . 34043 1 480 . 1 1 40 40 ASP N N 15 112.074 0.400 . 1 . . . A 233 ASP N . 34043 1 481 . 1 1 41 41 GLY H H 1 8.631 0.020 . 1 . . . A 234 GLY H . 34043 1 482 . 1 1 41 41 GLY HA2 H 1 3.581 0.020 . 2 . . . A 234 GLY HA2 . 34043 1 483 . 1 1 41 41 GLY HA3 H 1 4.291 0.020 . 2 . . . A 234 GLY HA3 . 34043 1 484 . 1 1 41 41 GLY C C 13 173.598 0.400 . 1 . . . A 234 GLY C . 34043 1 485 . 1 1 41 41 GLY CA C 13 44.943 0.400 . 1 . . . A 234 GLY CA . 34043 1 486 . 1 1 41 41 GLY N N 15 109.836 0.400 . 1 . . . A 234 GLY N . 34043 1 487 . 1 1 42 42 SER H H 1 8.294 0.020 . 1 . . . A 235 SER H . 34043 1 488 . 1 1 42 42 SER HA H 1 4.205 0.020 . 1 . . . A 235 SER HA . 34043 1 489 . 1 1 42 42 SER HB2 H 1 3.799 0.020 . 2 . . . A 235 SER HB2 . 34043 1 490 . 1 1 42 42 SER HB3 H 1 3.901 0.020 . 2 . . . A 235 SER HB3 . 34043 1 491 . 1 1 42 42 SER C C 13 173.395 0.400 . 1 . . . A 235 SER C . 34043 1 492 . 1 1 42 42 SER CA C 13 58.697 0.400 . 1 . . . A 235 SER CA . 34043 1 493 . 1 1 42 42 SER CB C 13 64.332 0.400 . 1 . . . A 235 SER CB . 34043 1 494 . 1 1 42 42 SER N N 15 116.951 0.400 . 1 . . . A 235 SER N . 34043 1 495 . 1 1 43 43 VAL H H 1 8.406 0.020 . 1 . . . A 236 VAL H . 34043 1 496 . 1 1 43 43 VAL HA H 1 5.394 0.020 . 1 . . . A 236 VAL HA . 34043 1 497 . 1 1 43 43 VAL HB H 1 1.836 0.020 . 1 . . . A 236 VAL HB . 34043 1 498 . 1 1 43 43 VAL HG11 H 1 0.825 0.020 . 2 . . . A 236 VAL HG11 . 34043 1 499 . 1 1 43 43 VAL HG12 H 1 0.825 0.020 . 2 . . . A 236 VAL HG12 . 34043 1 500 . 1 1 43 43 VAL HG13 H 1 0.825 0.020 . 2 . . . A 236 VAL HG13 . 34043 1 501 . 1 1 43 43 VAL HG21 H 1 1.109 0.020 . 2 . . . A 236 VAL HG21 . 34043 1 502 . 1 1 43 43 VAL HG22 H 1 1.109 0.020 . 2 . . . A 236 VAL HG22 . 34043 1 503 . 1 1 43 43 VAL HG23 H 1 1.109 0.020 . 2 . . . A 236 VAL HG23 . 34043 1 504 . 1 1 43 43 VAL C C 13 176.580 0.400 . 1 . . . A 236 VAL C . 34043 1 505 . 1 1 43 43 VAL CA C 13 60.902 0.400 . 1 . . . A 236 VAL CA . 34043 1 506 . 1 1 43 43 VAL CB C 13 32.921 0.400 . 1 . . . A 236 VAL CB . 34043 1 507 . 1 1 43 43 VAL CG1 C 13 21.832 0.400 . 1 . . . A 236 VAL CG1 . 34043 1 508 . 1 1 43 43 VAL CG2 C 13 23.041 0.400 . 1 . . . A 236 VAL CG2 . 34043 1 509 . 1 1 43 43 VAL N N 15 123.257 0.400 . 1 . . . A 236 VAL N . 34043 1 510 . 1 1 44 44 THR H H 1 9.126 0.020 . 1 . . . A 237 THR H . 34043 1 511 . 1 1 44 44 THR HA H 1 4.717 0.020 . 1 . . . A 237 THR HA . 34043 1 512 . 1 1 44 44 THR HB H 1 4.257 0.020 . 1 . . . A 237 THR HB . 34043 1 513 . 1 1 44 44 THR HG21 H 1 0.978 0.020 . 1 . . . A 237 THR HG21 . 34043 1 514 . 1 1 44 44 THR HG22 H 1 0.978 0.020 . 1 . . . A 237 THR HG22 . 34043 1 515 . 1 1 44 44 THR HG23 H 1 0.978 0.020 . 1 . . . A 237 THR HG23 . 34043 1 516 . 1 1 44 44 THR C C 13 172.863 0.400 . 1 . . . A 237 THR C . 34043 1 517 . 1 1 44 44 THR CA C 13 59.454 0.400 . 1 . . . A 237 THR CA . 34043 1 518 . 1 1 44 44 THR CB C 13 72.156 0.400 . 1 . . . A 237 THR CB . 34043 1 519 . 1 1 44 44 THR CG2 C 13 21.493 0.400 . 1 . . . A 237 THR CG2 . 34043 1 520 . 1 1 44 44 THR N N 15 118.429 0.400 . 1 . . . A 237 THR N . 34043 1 521 . 1 1 45 45 ASP H H 1 8.700 0.020 . 1 . . . A 238 ASP H . 34043 1 522 . 1 1 45 45 ASP HA H 1 4.160 0.020 . 1 . . . A 238 ASP HA . 34043 1 523 . 1 1 45 45 ASP HB2 H 1 2.637 0.020 . 2 . . . A 238 ASP HB2 . 34043 1 524 . 1 1 45 45 ASP HB3 H 1 2.808 0.020 . 2 . . . A 238 ASP HB3 . 34043 1 525 . 1 1 45 45 ASP C C 13 174.337 0.400 . 1 . . . A 238 ASP C . 34043 1 526 . 1 1 45 45 ASP CA C 13 54.911 0.400 . 1 . . . A 238 ASP CA . 34043 1 527 . 1 1 45 45 ASP CB C 13 39.698 0.400 . 1 . . . A 238 ASP CB . 34043 1 528 . 1 1 45 45 ASP N N 15 116.747 0.400 . 1 . . . A 238 ASP N . 34043 1 529 . 1 1 46 46 ILE H H 1 8.148 0.020 . 1 . . . A 239 ILE H . 34043 1 530 . 1 1 46 46 ILE HA H 1 4.707 0.020 . 1 . . . A 239 ILE HA . 34043 1 531 . 1 1 46 46 ILE HB H 1 1.678 0.020 . 1 . . . A 239 ILE HB . 34043 1 532 . 1 1 46 46 ILE HG12 H 1 0.974 0.020 . 2 . . . A 239 ILE HG12 . 34043 1 533 . 1 1 46 46 ILE HG13 H 1 1.494 0.020 . 2 . . . A 239 ILE HG13 . 34043 1 534 . 1 1 46 46 ILE HG21 H 1 0.812 0.020 . 1 . . . A 239 ILE HG21 . 34043 1 535 . 1 1 46 46 ILE HG22 H 1 0.812 0.020 . 1 . . . A 239 ILE HG22 . 34043 1 536 . 1 1 46 46 ILE HG23 H 1 0.812 0.020 . 1 . . . A 239 ILE HG23 . 34043 1 537 . 1 1 46 46 ILE HD11 H 1 0.664 0.020 . 1 . . . A 239 ILE HD11 . 34043 1 538 . 1 1 46 46 ILE HD12 H 1 0.664 0.020 . 1 . . . A 239 ILE HD12 . 34043 1 539 . 1 1 46 46 ILE HD13 H 1 0.664 0.020 . 1 . . . A 239 ILE HD13 . 34043 1 540 . 1 1 46 46 ILE C C 13 177.515 0.400 . 1 . . . A 239 ILE C . 34043 1 541 . 1 1 46 46 ILE CA C 13 62.412 0.400 . 1 . . . A 239 ILE CA . 34043 1 542 . 1 1 46 46 ILE CB C 13 37.956 0.400 . 1 . . . A 239 ILE CB . 34043 1 543 . 1 1 46 46 ILE CG1 C 13 28.003 0.400 . 1 . . . A 239 ILE CG1 . 34043 1 544 . 1 1 46 46 ILE CG2 C 13 18.931 0.400 . 1 . . . A 239 ILE CG2 . 34043 1 545 . 1 1 46 46 ILE CD1 C 13 14.391 0.400 . 1 . . . A 239 ILE CD1 . 34043 1 546 . 1 1 46 46 ILE N N 15 118.286 0.400 . 1 . . . A 239 ILE N . 34043 1 547 . 1 1 47 47 LYS H H 1 9.338 0.020 . 1 . . . A 240 LYS H . 34043 1 548 . 1 1 47 47 LYS HA H 1 4.650 0.020 . 1 . . . A 240 LYS HA . 34043 1 549 . 1 1 47 47 LYS HB2 H 1 1.592 0.020 . 2 . . . A 240 LYS HB2 . 34043 1 550 . 1 1 47 47 LYS HB3 H 1 1.722 0.020 . 2 . . . A 240 LYS HB3 . 34043 1 551 . 1 1 47 47 LYS HG2 H 1 1.106 0.020 . 2 . . . A 240 LYS HG2 . 34043 1 552 . 1 1 47 47 LYS HG3 H 1 1.295 0.020 . 2 . . . A 240 LYS HG3 . 34043 1 553 . 1 1 47 47 LYS HD2 H 1 1.499 0.020 . 2 . . . A 240 LYS HD2 . 34043 1 554 . 1 1 47 47 LYS HD3 H 1 1.499 0.020 . 2 . . . A 240 LYS HD3 . 34043 1 555 . 1 1 47 47 LYS HE2 H 1 2.809 0.020 . 2 . . . A 240 LYS HE2 . 34043 1 556 . 1 1 47 47 LYS HE3 H 1 2.809 0.020 . 2 . . . A 240 LYS HE3 . 34043 1 557 . 1 1 47 47 LYS C C 13 174.431 0.400 . 1 . . . A 240 LYS C . 34043 1 558 . 1 1 47 47 LYS CA C 13 55.542 0.400 . 1 . . . A 240 LYS CA . 34043 1 559 . 1 1 47 47 LYS CB C 13 36.005 0.400 . 1 . . . A 240 LYS CB . 34043 1 560 . 1 1 47 47 LYS CG C 13 23.760 0.400 . 1 . . . A 240 LYS CG . 34043 1 561 . 1 1 47 47 LYS CD C 13 29.321 0.400 . 1 . . . A 240 LYS CD . 34043 1 562 . 1 1 47 47 LYS CE C 13 42.065 0.400 . 1 . . . A 240 LYS CE . 34043 1 563 . 1 1 47 47 LYS N N 15 127.632 0.400 . 1 . . . A 240 LYS N . 34043 1 564 . 1 1 48 48 VAL H H 1 8.717 0.020 . 1 . . . A 241 VAL H . 34043 1 565 . 1 1 48 48 VAL HA H 1 4.005 0.020 . 1 . . . A 241 VAL HA . 34043 1 566 . 1 1 48 48 VAL HB H 1 1.932 0.020 . 1 . . . A 241 VAL HB . 34043 1 567 . 1 1 48 48 VAL HG11 H 1 0.679 0.020 . 2 . . . A 241 VAL HG11 . 34043 1 568 . 1 1 48 48 VAL HG12 H 1 0.679 0.020 . 2 . . . A 241 VAL HG12 . 34043 1 569 . 1 1 48 48 VAL HG13 H 1 0.679 0.020 . 2 . . . A 241 VAL HG13 . 34043 1 570 . 1 1 48 48 VAL HG21 H 1 0.874 0.020 . 2 . . . A 241 VAL HG21 . 34043 1 571 . 1 1 48 48 VAL HG22 H 1 0.874 0.020 . 2 . . . A 241 VAL HG22 . 34043 1 572 . 1 1 48 48 VAL HG23 H 1 0.874 0.020 . 2 . . . A 241 VAL HG23 . 34043 1 573 . 1 1 48 48 VAL C C 13 176.581 0.400 . 1 . . . A 241 VAL C . 34043 1 574 . 1 1 48 48 VAL CA C 13 63.642 0.400 . 1 . . . A 241 VAL CA . 34043 1 575 . 1 1 48 48 VAL CB C 13 32.210 0.400 . 1 . . . A 241 VAL CB . 34043 1 576 . 1 1 48 48 VAL CG1 C 13 21.524 0.400 . 1 . . . A 241 VAL CG1 . 34043 1 577 . 1 1 48 48 VAL CG2 C 13 22.453 0.400 . 1 . . . A 241 VAL CG2 . 34043 1 578 . 1 1 48 48 VAL N N 15 122.143 0.400 . 1 . . . A 241 VAL N . 34043 1 579 . 1 1 49 49 VAL H H 1 9.195 0.020 . 1 . . . A 242 VAL H . 34043 1 580 . 1 1 49 49 VAL HA H 1 4.040 0.020 . 1 . . . A 242 VAL HA . 34043 1 581 . 1 1 49 49 VAL HB H 1 1.847 0.020 . 1 . . . A 242 VAL HB . 34043 1 582 . 1 1 49 49 VAL HG11 H 1 0.845 0.020 . 2 . . . A 242 VAL HG11 . 34043 1 583 . 1 1 49 49 VAL HG12 H 1 0.845 0.020 . 2 . . . A 242 VAL HG12 . 34043 1 584 . 1 1 49 49 VAL HG13 H 1 0.845 0.020 . 2 . . . A 242 VAL HG13 . 34043 1 585 . 1 1 49 49 VAL HG21 H 1 0.809 0.020 . 2 . . . A 242 VAL HG21 . 34043 1 586 . 1 1 49 49 VAL HG22 H 1 0.809 0.020 . 2 . . . A 242 VAL HG22 . 34043 1 587 . 1 1 49 49 VAL HG23 H 1 0.809 0.020 . 2 . . . A 242 VAL HG23 . 34043 1 588 . 1 1 49 49 VAL C C 13 176.039 0.400 . 1 . . . A 242 VAL C . 34043 1 589 . 1 1 49 49 VAL CA C 13 63.326 0.400 . 1 . . . A 242 VAL CA . 34043 1 590 . 1 1 49 49 VAL CB C 13 32.825 0.400 . 1 . . . A 242 VAL CB . 34043 1 591 . 1 1 49 49 VAL CG1 C 13 21.744 0.400 . 1 . . . A 242 VAL CG1 . 34043 1 592 . 1 1 49 49 VAL CG2 C 13 21.579 0.400 . 1 . . . A 242 VAL CG2 . 34043 1 593 . 1 1 49 49 VAL N N 15 126.807 0.400 . 1 . . . A 242 VAL N . 34043 1 594 . 1 1 50 50 LYS H H 1 7.601 0.020 . 1 . . . A 243 LYS H . 34043 1 595 . 1 1 50 50 LYS HA H 1 4.436 0.020 . 1 . . . A 243 LYS HA . 34043 1 596 . 1 1 50 50 LYS HB2 H 1 1.741 0.020 . 2 . . . A 243 LYS HB2 . 34043 1 597 . 1 1 50 50 LYS HB3 H 1 1.741 0.020 . 2 . . . A 243 LYS HB3 . 34043 1 598 . 1 1 50 50 LYS HG2 H 1 1.339 0.020 . 2 . . . A 243 LYS HG2 . 34043 1 599 . 1 1 50 50 LYS HG3 H 1 1.339 0.020 . 2 . . . A 243 LYS HG3 . 34043 1 600 . 1 1 50 50 LYS HD2 H 1 1.594 0.020 . 2 . . . A 243 LYS HD2 . 34043 1 601 . 1 1 50 50 LYS HD3 H 1 1.594 0.020 . 2 . . . A 243 LYS HD3 . 34043 1 602 . 1 1 50 50 LYS HE2 H 1 2.912 0.020 . 2 . . . A 243 LYS HE2 . 34043 1 603 . 1 1 50 50 LYS HE3 H 1 2.912 0.020 . 2 . . . A 243 LYS HE3 . 34043 1 604 . 1 1 50 50 LYS C C 13 173.409 0.400 . 1 . . . A 243 LYS C . 34043 1 605 . 1 1 50 50 LYS CA C 13 55.882 0.400 . 1 . . . A 243 LYS CA . 34043 1 606 . 1 1 50 50 LYS CB C 13 35.684 0.400 . 1 . . . A 243 LYS CB . 34043 1 607 . 1 1 50 50 LYS CG C 13 24.585 0.400 . 1 . . . A 243 LYS CG . 34043 1 608 . 1 1 50 50 LYS CD C 13 29.249 0.400 . 1 . . . A 243 LYS CD . 34043 1 609 . 1 1 50 50 LYS CE C 13 42.018 0.400 . 1 . . . A 243 LYS CE . 34043 1 610 . 1 1 50 50 LYS N N 15 118.806 0.400 . 1 . . . A 243 LYS N . 34043 1 611 . 1 1 51 51 SER H H 1 8.472 0.020 . 1 . . . A 244 SER H . 34043 1 612 . 1 1 51 51 SER HA H 1 5.001 0.020 . 1 . . . A 244 SER HA . 34043 1 613 . 1 1 51 51 SER HB2 H 1 3.508 0.020 . 2 . . . A 244 SER HB2 . 34043 1 614 . 1 1 51 51 SER HB3 H 1 3.804 0.020 . 2 . . . A 244 SER HB3 . 34043 1 615 . 1 1 51 51 SER C C 13 174.392 0.400 . 1 . . . A 244 SER C . 34043 1 616 . 1 1 51 51 SER CA C 13 56.685 0.400 . 1 . . . A 244 SER CA . 34043 1 617 . 1 1 51 51 SER CB C 13 64.726 0.400 . 1 . . . A 244 SER CB . 34043 1 618 . 1 1 51 51 SER N N 15 116.634 0.400 . 1 . . . A 244 SER N . 34043 1 619 . 1 1 52 52 ASN H H 1 7.889 0.020 . 1 . . . A 245 ASN H . 34043 1 620 . 1 1 52 52 ASN HA H 1 5.037 0.020 . 1 . . . A 245 ASN HA . 34043 1 621 . 1 1 52 52 ASN HB2 H 1 3.304 0.020 . 2 . . . A 245 ASN HB2 . 34043 1 622 . 1 1 52 52 ASN HB3 H 1 2.781 0.020 . 2 . . . A 245 ASN HB3 . 34043 1 623 . 1 1 52 52 ASN HD21 H 1 6.859 0.020 . 2 . . . A 245 ASN HD21 . 34043 1 624 . 1 1 52 52 ASN HD22 H 1 7.401 0.020 . 2 . . . A 245 ASN HD22 . 34043 1 625 . 1 1 52 52 ASN C C 13 175.757 0.400 . 1 . . . A 245 ASN C . 34043 1 626 . 1 1 52 52 ASN CA C 13 51.422 0.400 . 1 . . . A 245 ASN CA . 34043 1 627 . 1 1 52 52 ASN CB C 13 38.113 0.400 . 1 . . . A 245 ASN CB . 34043 1 628 . 1 1 52 52 ASN N N 15 124.021 0.400 . 1 . . . A 245 ASN N . 34043 1 629 . 1 1 52 52 ASN ND2 N 15 108.085 0.400 . 1 . . . A 245 ASN ND2 . 34043 1 630 . 1 1 53 53 THR H H 1 8.538 0.020 . 1 . . . A 246 THR H . 34043 1 631 . 1 1 53 53 THR HA H 1 4.920 0.020 . 1 . . . A 246 THR HA . 34043 1 632 . 1 1 53 53 THR HB H 1 4.061 0.020 . 1 . . . A 246 THR HB . 34043 1 633 . 1 1 53 53 THR HG21 H 1 1.066 0.020 . 1 . . . A 246 THR HG21 . 34043 1 634 . 1 1 53 53 THR HG22 H 1 1.066 0.020 . 1 . . . A 246 THR HG22 . 34043 1 635 . 1 1 53 53 THR HG23 H 1 1.066 0.020 . 1 . . . A 246 THR HG23 . 34043 1 636 . 1 1 53 53 THR C C 13 174.032 0.400 . 1 . . . A 246 THR C . 34043 1 637 . 1 1 53 53 THR CA C 13 58.659 0.400 . 1 . . . A 246 THR CA . 34043 1 638 . 1 1 53 53 THR CB C 13 69.709 0.400 . 1 . . . A 246 THR CB . 34043 1 639 . 1 1 53 53 THR CG2 C 13 19.442 0.400 . 1 . . . A 246 THR CG2 . 34043 1 640 . 1 1 53 53 THR N N 15 116.734 0.400 . 1 . . . A 246 THR N . 34043 1 641 . 1 1 54 54 THR H H 1 8.525 0.020 . 1 . . . A 247 THR H . 34043 1 642 . 1 1 54 54 THR HA H 1 4.592 0.020 . 1 . . . A 247 THR HA . 34043 1 643 . 1 1 54 54 THR HB H 1 4.441 0.020 . 1 . . . A 247 THR HB . 34043 1 644 . 1 1 54 54 THR HG21 H 1 1.148 0.020 . 1 . . . A 247 THR HG21 . 34043 1 645 . 1 1 54 54 THR HG22 H 1 1.148 0.020 . 1 . . . A 247 THR HG22 . 34043 1 646 . 1 1 54 54 THR HG23 H 1 1.148 0.020 . 1 . . . A 247 THR HG23 . 34043 1 647 . 1 1 54 54 THR C C 13 175.718 0.400 . 1 . . . A 247 THR C . 34043 1 648 . 1 1 54 54 THR CA C 13 60.014 0.400 . 1 . . . A 247 THR CA . 34043 1 649 . 1 1 54 54 THR CB C 13 70.606 0.400 . 1 . . . A 247 THR CB . 34043 1 650 . 1 1 54 54 THR CG2 C 13 21.863 0.400 . 1 . . . A 247 THR CG2 . 34043 1 651 . 1 1 54 54 THR N N 15 113.011 0.400 . 1 . . . A 247 THR N . 34043 1 652 . 1 1 55 55 ASP H H 1 8.435 0.020 . 1 . . . A 248 ASP H . 34043 1 653 . 1 1 55 55 ASP HA H 1 4.167 0.020 . 1 . . . A 248 ASP HA . 34043 1 654 . 1 1 55 55 ASP HB2 H 1 2.348 0.020 . 2 . . . A 248 ASP HB2 . 34043 1 655 . 1 1 55 55 ASP HB3 H 1 2.513 0.020 . 2 . . . A 248 ASP HB3 . 34043 1 656 . 1 1 55 55 ASP C C 13 177.008 0.400 . 1 . . . A 248 ASP C . 34043 1 657 . 1 1 55 55 ASP CA C 13 57.797 0.400 . 1 . . . A 248 ASP CA . 34043 1 658 . 1 1 55 55 ASP CB C 13 40.595 0.400 . 1 . . . A 248 ASP CB . 34043 1 659 . 1 1 55 55 ASP N N 15 119.162 0.400 . 1 . . . A 248 ASP N . 34043 1 660 . 1 1 56 56 ILE H H 1 7.875 0.020 . 1 . . . A 249 ILE H . 34043 1 661 . 1 1 56 56 ILE HA H 1 3.891 0.020 . 1 . . . A 249 ILE HA . 34043 1 662 . 1 1 56 56 ILE HB H 1 1.671 0.020 . 1 . . . A 249 ILE HB . 34043 1 663 . 1 1 56 56 ILE HG12 H 1 0.971 0.020 . 2 . . . A 249 ILE HG12 . 34043 1 664 . 1 1 56 56 ILE HG13 H 1 1.493 0.020 . 2 . . . A 249 ILE HG13 . 34043 1 665 . 1 1 56 56 ILE HG21 H 1 0.737 0.020 . 1 . . . A 249 ILE HG21 . 34043 1 666 . 1 1 56 56 ILE HG22 H 1 0.737 0.020 . 1 . . . A 249 ILE HG22 . 34043 1 667 . 1 1 56 56 ILE HG23 H 1 0.737 0.020 . 1 . . . A 249 ILE HG23 . 34043 1 668 . 1 1 56 56 ILE HD11 H 1 0.746 0.020 . 1 . . . A 249 ILE HD11 . 34043 1 669 . 1 1 56 56 ILE HD12 H 1 0.746 0.020 . 1 . . . A 249 ILE HD12 . 34043 1 670 . 1 1 56 56 ILE HD13 H 1 0.746 0.020 . 1 . . . A 249 ILE HD13 . 34043 1 671 . 1 1 56 56 ILE C C 13 177.435 0.400 . 1 . . . A 249 ILE C . 34043 1 672 . 1 1 56 56 ILE CA C 13 64.374 0.400 . 1 . . . A 249 ILE CA . 34043 1 673 . 1 1 56 56 ILE CB C 13 37.495 0.400 . 1 . . . A 249 ILE CB . 34043 1 674 . 1 1 56 56 ILE CG1 C 13 28.833 0.400 . 1 . . . A 249 ILE CG1 . 34043 1 675 . 1 1 56 56 ILE CG2 C 13 17.272 0.400 . 1 . . . A 249 ILE CG2 . 34043 1 676 . 1 1 56 56 ILE CD1 C 13 13.731 0.400 . 1 . . . A 249 ILE CD1 . 34043 1 677 . 1 1 56 56 ILE N N 15 117.413 0.400 . 1 . . . A 249 ILE N . 34043 1 678 . 1 1 57 57 LEU H H 1 6.832 0.020 . 1 . . . A 250 LEU H . 34043 1 679 . 1 1 57 57 LEU HA H 1 4.035 0.020 . 1 . . . A 250 LEU HA . 34043 1 680 . 1 1 57 57 LEU HB2 H 1 1.659 0.020 . 2 . . . A 250 LEU HB2 . 34043 1 681 . 1 1 57 57 LEU HB3 H 1 0.783 0.020 . 2 . . . A 250 LEU HB3 . 34043 1 682 . 1 1 57 57 LEU HG H 1 1.124 0.020 . 1 . . . A 250 LEU HG . 34043 1 683 . 1 1 57 57 LEU HD11 H 1 0.555 0.020 . 2 . . . A 250 LEU HD11 . 34043 1 684 . 1 1 57 57 LEU HD12 H 1 0.555 0.020 . 2 . . . A 250 LEU HD12 . 34043 1 685 . 1 1 57 57 LEU HD13 H 1 0.555 0.020 . 2 . . . A 250 LEU HD13 . 34043 1 686 . 1 1 57 57 LEU HD21 H 1 -0.190 0.020 . 2 . . . A 250 LEU HD21 . 34043 1 687 . 1 1 57 57 LEU HD22 H 1 -0.190 0.020 . 2 . . . A 250 LEU HD22 . 34043 1 688 . 1 1 57 57 LEU HD23 H 1 -0.190 0.020 . 2 . . . A 250 LEU HD23 . 34043 1 689 . 1 1 57 57 LEU C C 13 177.649 0.400 . 1 . . . A 250 LEU C . 34043 1 690 . 1 1 57 57 LEU CA C 13 55.835 0.400 . 1 . . . A 250 LEU CA . 34043 1 691 . 1 1 57 57 LEU CB C 13 40.061 0.400 . 1 . . . A 250 LEU CB . 34043 1 692 . 1 1 57 57 LEU CG C 13 26.708 0.400 . 1 . . . A 250 LEU CG . 34043 1 693 . 1 1 57 57 LEU CD1 C 13 24.843 0.400 . 1 . . . A 250 LEU CD1 . 34043 1 694 . 1 1 57 57 LEU CD2 C 13 21.354 0.400 . 1 . . . A 250 LEU CD2 . 34043 1 695 . 1 1 57 57 LEU N N 15 118.969 0.400 . 1 . . . A 250 LEU N . 34043 1 696 . 1 1 58 58 ASN H H 1 7.900 0.020 . 1 . . . A 251 ASN H . 34043 1 697 . 1 1 58 58 ASN HA H 1 4.316 0.020 . 1 . . . A 251 ASN HA . 34043 1 698 . 1 1 58 58 ASN HB2 H 1 2.684 0.020 . 2 . . . A 251 ASN HB2 . 34043 1 699 . 1 1 58 58 ASN HB3 H 1 2.786 0.020 . 2 . . . A 251 ASN HB3 . 34043 1 700 . 1 1 58 58 ASN HD21 H 1 6.408 0.020 . 2 . . . A 251 ASN HD21 . 34043 1 701 . 1 1 58 58 ASN HD22 H 1 7.526 0.020 . 2 . . . A 251 ASN HD22 . 34043 1 702 . 1 1 58 58 ASN C C 13 177.360 0.400 . 1 . . . A 251 ASN C . 34043 1 703 . 1 1 58 58 ASN CA C 13 56.558 0.400 . 1 . . . A 251 ASN CA . 34043 1 704 . 1 1 58 58 ASN CB C 13 37.212 0.400 . 1 . . . A 251 ASN CB . 34043 1 705 . 1 1 58 58 ASN N N 15 120.777 0.400 . 1 . . . A 251 ASN N . 34043 1 706 . 1 1 58 58 ASN ND2 N 15 107.315 0.400 . 1 . . . A 251 ASN ND2 . 34043 1 707 . 1 1 59 59 HIS H H 1 8.570 0.020 . 1 . . . A 252 HIS H . 34043 1 708 . 1 1 59 59 HIS HA H 1 4.227 0.020 . 1 . . . A 252 HIS HA . 34043 1 709 . 1 1 59 59 HIS HB2 H 1 3.082 0.020 . 2 . . . A 252 HIS HB2 . 34043 1 710 . 1 1 59 59 HIS HB3 H 1 3.120 0.020 . 2 . . . A 252 HIS HB3 . 34043 1 711 . 1 1 59 59 HIS HD2 H 1 6.909 0.020 . 1 . . . A 252 HIS HD2 . 34043 1 712 . 1 1 59 59 HIS CA C 13 58.821 0.400 . 1 . . . A 252 HIS CA . 34043 1 713 . 1 1 59 59 HIS CB C 13 29.810 0.400 . 1 . . . A 252 HIS CB . 34043 1 714 . 1 1 59 59 HIS N N 15 115.159 0.400 . 1 . . . A 252 HIS N . 34043 1 715 . 1 1 60 60 ALA H H 1 7.018 0.020 . 1 . . . A 253 ALA H . 34043 1 716 . 1 1 60 60 ALA HA H 1 4.102 0.020 . 1 . . . A 253 ALA HA . 34043 1 717 . 1 1 60 60 ALA HB1 H 1 1.471 0.020 . 1 . . . A 253 ALA HB1 . 34043 1 718 . 1 1 60 60 ALA HB2 H 1 1.471 0.020 . 1 . . . A 253 ALA HB2 . 34043 1 719 . 1 1 60 60 ALA HB3 H 1 1.471 0.020 . 1 . . . A 253 ALA HB3 . 34043 1 720 . 1 1 60 60 ALA C C 13 179.758 0.400 . 1 . . . A 253 ALA C . 34043 1 721 . 1 1 60 60 ALA CA C 13 55.220 0.400 . 1 . . . A 253 ALA CA . 34043 1 722 . 1 1 60 60 ALA CB C 13 17.673 0.400 . 1 . . . A 253 ALA CB . 34043 1 723 . 1 1 60 60 ALA N N 15 122.678 0.400 . 1 . . . A 253 ALA N . 34043 1 724 . 1 1 61 61 ALA H H 1 8.176 0.020 . 1 . . . A 254 ALA H . 34043 1 725 . 1 1 61 61 ALA HA H 1 4.070 0.020 . 1 . . . A 254 ALA HA . 34043 1 726 . 1 1 61 61 ALA HB1 H 1 1.506 0.020 . 1 . . . A 254 ALA HB1 . 34043 1 727 . 1 1 61 61 ALA HB2 H 1 1.506 0.020 . 1 . . . A 254 ALA HB2 . 34043 1 728 . 1 1 61 61 ALA HB3 H 1 1.506 0.020 . 1 . . . A 254 ALA HB3 . 34043 1 729 . 1 1 61 61 ALA C C 13 178.858 0.400 . 1 . . . A 254 ALA C . 34043 1 730 . 1 1 61 61 ALA CA C 13 55.281 0.400 . 1 . . . A 254 ALA CA . 34043 1 731 . 1 1 61 61 ALA CB C 13 18.465 0.400 . 1 . . . A 254 ALA CB . 34043 1 732 . 1 1 61 61 ALA N N 15 124.184 0.400 . 1 . . . A 254 ALA N . 34043 1 733 . 1 1 62 62 LEU H H 1 7.372 0.020 . 1 . . . A 255 LEU H . 34043 1 734 . 1 1 62 62 LEU HA H 1 3.783 0.020 . 1 . . . A 255 LEU HA . 34043 1 735 . 1 1 62 62 LEU HB2 H 1 1.314 0.020 . 2 . . . A 255 LEU HB2 . 34043 1 736 . 1 1 62 62 LEU HB3 H 1 1.885 0.020 . 2 . . . A 255 LEU HB3 . 34043 1 737 . 1 1 62 62 LEU HG H 1 1.848 0.020 . 1 . . . A 255 LEU HG . 34043 1 738 . 1 1 62 62 LEU HD11 H 1 0.709 0.020 . 2 . . . A 255 LEU HD11 . 34043 1 739 . 1 1 62 62 LEU HD12 H 1 0.709 0.020 . 2 . . . A 255 LEU HD12 . 34043 1 740 . 1 1 62 62 LEU HD13 H 1 0.709 0.020 . 2 . . . A 255 LEU HD13 . 34043 1 741 . 1 1 62 62 LEU HD21 H 1 0.827 0.020 . 2 . . . A 255 LEU HD21 . 34043 1 742 . 1 1 62 62 LEU HD22 H 1 0.827 0.020 . 2 . . . A 255 LEU HD22 . 34043 1 743 . 1 1 62 62 LEU HD23 H 1 0.827 0.020 . 2 . . . A 255 LEU HD23 . 34043 1 744 . 1 1 62 62 LEU C C 13 180.041 0.400 . 1 . . . A 255 LEU C . 34043 1 745 . 1 1 62 62 LEU CA C 13 58.092 0.400 . 1 . . . A 255 LEU CA . 34043 1 746 . 1 1 62 62 LEU CB C 13 41.633 0.400 . 1 . . . A 255 LEU CB . 34043 1 747 . 1 1 62 62 LEU CG C 13 26.381 0.400 . 1 . . . A 255 LEU CG . 34043 1 748 . 1 1 62 62 LEU CD1 C 13 23.363 0.400 . 1 . . . A 255 LEU CD1 . 34043 1 749 . 1 1 62 62 LEU CD2 C 13 25.588 0.400 . 1 . . . A 255 LEU CD2 . 34043 1 750 . 1 1 62 62 LEU N N 15 115.698 0.400 . 1 . . . A 255 LEU N . 34043 1 751 . 1 1 63 63 GLU H H 1 8.143 0.020 . 1 . . . A 256 GLU H . 34043 1 752 . 1 1 63 63 GLU HA H 1 3.833 0.020 . 1 . . . A 256 GLU HA . 34043 1 753 . 1 1 63 63 GLU HB2 H 1 2.006 0.020 . 2 . . . A 256 GLU HB2 . 34043 1 754 . 1 1 63 63 GLU HB3 H 1 2.006 0.020 . 2 . . . A 256 GLU HB3 . 34043 1 755 . 1 1 63 63 GLU HG2 H 1 2.127 0.020 . 2 . . . A 256 GLU HG2 . 34043 1 756 . 1 1 63 63 GLU HG3 H 1 2.127 0.020 . 2 . . . A 256 GLU HG3 . 34043 1 757 . 1 1 63 63 GLU C C 13 178.942 0.400 . 1 . . . A 256 GLU C . 34043 1 758 . 1 1 63 63 GLU CA C 13 58.762 0.400 . 1 . . . A 256 GLU CA . 34043 1 759 . 1 1 63 63 GLU CB C 13 29.325 0.400 . 1 . . . A 256 GLU CB . 34043 1 760 . 1 1 63 63 GLU CG C 13 36.225 0.400 . 1 . . . A 256 GLU CG . 34043 1 761 . 1 1 63 63 GLU N N 15 117.924 0.400 . 1 . . . A 256 GLU N . 34043 1 762 . 1 1 64 64 ALA H H 1 8.083 0.020 . 1 . . . A 257 ALA H . 34043 1 763 . 1 1 64 64 ALA HA H 1 3.926 0.020 . 1 . . . A 257 ALA HA . 34043 1 764 . 1 1 64 64 ALA HB1 H 1 1.459 0.020 . 1 . . . A 257 ALA HB1 . 34043 1 765 . 1 1 64 64 ALA HB2 H 1 1.459 0.020 . 1 . . . A 257 ALA HB2 . 34043 1 766 . 1 1 64 64 ALA HB3 H 1 1.459 0.020 . 1 . . . A 257 ALA HB3 . 34043 1 767 . 1 1 64 64 ALA C C 13 178.775 0.400 . 1 . . . A 257 ALA C . 34043 1 768 . 1 1 64 64 ALA CA C 13 55.459 0.400 . 1 . . . A 257 ALA CA . 34043 1 769 . 1 1 64 64 ALA CB C 13 17.329 0.400 . 1 . . . A 257 ALA CB . 34043 1 770 . 1 1 64 64 ALA N N 15 123.790 0.400 . 1 . . . A 257 ALA N . 34043 1 771 . 1 1 65 65 ILE H H 1 7.154 0.020 . 1 . . . A 258 ILE H . 34043 1 772 . 1 1 65 65 ILE HA H 1 3.323 0.020 . 1 . . . A 258 ILE HA . 34043 1 773 . 1 1 65 65 ILE HB H 1 1.814 0.020 . 1 . . . A 258 ILE HB . 34043 1 774 . 1 1 65 65 ILE HG12 H 1 1.295 0.020 . 2 . . . A 258 ILE HG12 . 34043 1 775 . 1 1 65 65 ILE HG13 H 1 1.347 0.020 . 2 . . . A 258 ILE HG13 . 34043 1 776 . 1 1 65 65 ILE HG21 H 1 0.154 0.020 . 1 . . . A 258 ILE HG21 . 34043 1 777 . 1 1 65 65 ILE HG22 H 1 0.154 0.020 . 1 . . . A 258 ILE HG22 . 34043 1 778 . 1 1 65 65 ILE HG23 H 1 0.154 0.020 . 1 . . . A 258 ILE HG23 . 34043 1 779 . 1 1 65 65 ILE HD11 H 1 0.581 0.020 . 1 . . . A 258 ILE HD11 . 34043 1 780 . 1 1 65 65 ILE HD12 H 1 0.581 0.020 . 1 . . . A 258 ILE HD12 . 34043 1 781 . 1 1 65 65 ILE HD13 H 1 0.581 0.020 . 1 . . . A 258 ILE HD13 . 34043 1 782 . 1 1 65 65 ILE C C 13 177.417 0.400 . 1 . . . A 258 ILE C . 34043 1 783 . 1 1 65 65 ILE CA C 13 64.084 0.400 . 1 . . . A 258 ILE CA . 34043 1 784 . 1 1 65 65 ILE CB C 13 36.257 0.400 . 1 . . . A 258 ILE CB . 34043 1 785 . 1 1 65 65 ILE CG1 C 13 28.107 0.400 . 1 . . . A 258 ILE CG1 . 34043 1 786 . 1 1 65 65 ILE CG2 C 13 16.890 0.400 . 1 . . . A 258 ILE CG2 . 34043 1 787 . 1 1 65 65 ILE CD1 C 13 12.585 0.400 . 1 . . . A 258 ILE CD1 . 34043 1 788 . 1 1 65 65 ILE N N 15 114.114 0.400 . 1 . . . A 258 ILE N . 34043 1 789 . 1 1 66 66 LYS H H 1 7.607 0.020 . 1 . . . A 259 LYS H . 34043 1 790 . 1 1 66 66 LYS HA H 1 3.587 0.020 . 1 . . . A 259 LYS HA . 34043 1 791 . 1 1 66 66 LYS HB2 H 1 1.705 0.020 . 2 . . . A 259 LYS HB2 . 34043 1 792 . 1 1 66 66 LYS HB3 H 1 1.770 0.020 . 2 . . . A 259 LYS HB3 . 34043 1 793 . 1 1 66 66 LYS HG2 H 1 1.336 0.020 . 2 . . . A 259 LYS HG2 . 34043 1 794 . 1 1 66 66 LYS HG3 H 1 1.336 0.020 . 2 . . . A 259 LYS HG3 . 34043 1 795 . 1 1 66 66 LYS HD2 H 1 1.556 0.020 . 2 . . . A 259 LYS HD2 . 34043 1 796 . 1 1 66 66 LYS HD3 H 1 1.556 0.020 . 2 . . . A 259 LYS HD3 . 34043 1 797 . 1 1 66 66 LYS HE2 H 1 2.854 0.020 . 2 . . . A 259 LYS HE2 . 34043 1 798 . 1 1 66 66 LYS HE3 H 1 2.854 0.020 . 2 . . . A 259 LYS HE3 . 34043 1 799 . 1 1 66 66 LYS C C 13 180.041 0.400 . 1 . . . A 259 LYS C . 34043 1 800 . 1 1 66 66 LYS CA C 13 59.973 0.400 . 1 . . . A 259 LYS CA . 34043 1 801 . 1 1 66 66 LYS CB C 13 32.434 0.400 . 1 . . . A 259 LYS CB . 34043 1 802 . 1 1 66 66 LYS CG C 13 25.618 0.400 . 1 . . . A 259 LYS CG . 34043 1 803 . 1 1 66 66 LYS CD C 13 29.417 0.400 . 1 . . . A 259 LYS CD . 34043 1 804 . 1 1 66 66 LYS CE C 13 41.971 0.400 . 1 . . . A 259 LYS CE . 34043 1 805 . 1 1 66 66 LYS N N 15 117.018 0.400 . 1 . . . A 259 LYS N . 34043 1 806 . 1 1 67 67 SER H H 1 8.539 0.020 . 1 . . . A 260 SER H . 34043 1 807 . 1 1 67 67 SER HA H 1 4.182 0.020 . 1 . . . A 260 SER HA . 34043 1 808 . 1 1 67 67 SER HB2 H 1 3.799 0.020 . 2 . . . A 260 SER HB2 . 34043 1 809 . 1 1 67 67 SER HB3 H 1 3.939 0.020 . 2 . . . A 260 SER HB3 . 34043 1 810 . 1 1 67 67 SER C C 13 174.438 0.400 . 1 . . . A 260 SER C . 34043 1 811 . 1 1 67 67 SER CA C 13 60.924 0.400 . 1 . . . A 260 SER CA . 34043 1 812 . 1 1 67 67 SER CB C 13 63.580 0.400 . 1 . . . A 260 SER CB . 34043 1 813 . 1 1 67 67 SER N N 15 113.403 0.400 . 1 . . . A 260 SER N . 34043 1 814 . 1 1 68 68 ALA H H 1 7.541 0.020 . 1 . . . A 261 ALA H . 34043 1 815 . 1 1 68 68 ALA HA H 1 3.913 0.020 . 1 . . . A 261 ALA HA . 34043 1 816 . 1 1 68 68 ALA HB1 H 1 1.104 0.020 . 1 . . . A 261 ALA HB1 . 34043 1 817 . 1 1 68 68 ALA HB2 H 1 1.104 0.020 . 1 . . . A 261 ALA HB2 . 34043 1 818 . 1 1 68 68 ALA HB3 H 1 1.104 0.020 . 1 . . . A 261 ALA HB3 . 34043 1 819 . 1 1 68 68 ALA C C 13 176.915 0.400 . 1 . . . A 261 ALA C . 34043 1 820 . 1 1 68 68 ALA CA C 13 51.958 0.400 . 1 . . . A 261 ALA CA . 34043 1 821 . 1 1 68 68 ALA CB C 13 20.306 0.400 . 1 . . . A 261 ALA CB . 34043 1 822 . 1 1 68 68 ALA N N 15 120.701 0.400 . 1 . . . A 261 ALA N . 34043 1 823 . 1 1 69 69 ALA H H 1 6.953 0.020 . 1 . . . A 262 ALA H . 34043 1 824 . 1 1 69 69 ALA HA H 1 1.877 0.020 . 1 . . . A 262 ALA HA . 34043 1 825 . 1 1 69 69 ALA HB1 H 1 1.064 0.020 . 1 . . . A 262 ALA HB1 . 34043 1 826 . 1 1 69 69 ALA HB2 H 1 1.064 0.020 . 1 . . . A 262 ALA HB2 . 34043 1 827 . 1 1 69 69 ALA HB3 H 1 1.064 0.020 . 1 . . . A 262 ALA HB3 . 34043 1 828 . 1 1 69 69 ALA C C 13 179.262 0.400 . 1 . . . A 262 ALA C . 34043 1 829 . 1 1 69 69 ALA CA C 13 54.646 0.400 . 1 . . . A 262 ALA CA . 34043 1 830 . 1 1 69 69 ALA CB C 13 18.183 0.400 . 1 . . . A 262 ALA CB . 34043 1 831 . 1 1 69 69 ALA N N 15 119.321 0.400 . 1 . . . A 262 ALA N . 34043 1 832 . 1 1 70 70 HIS H H 1 8.174 0.020 . 1 . . . A 263 HIS H . 34043 1 833 . 1 1 70 70 HIS HA H 1 4.285 0.020 . 1 . . . A 263 HIS HA . 34043 1 834 . 1 1 70 70 HIS HB2 H 1 2.875 0.020 . 2 . . . A 263 HIS HB2 . 34043 1 835 . 1 1 70 70 HIS HB3 H 1 3.136 0.020 . 2 . . . A 263 HIS HB3 . 34043 1 836 . 1 1 70 70 HIS CA C 13 57.877 0.400 . 1 . . . A 263 HIS CA . 34043 1 837 . 1 1 70 70 HIS CB C 13 28.267 0.400 . 1 . . . A 263 HIS CB . 34043 1 838 . 1 1 70 70 HIS N N 15 113.575 0.400 . 1 . . . A 263 HIS N . 34043 1 839 . 1 1 71 71 LEU H H 1 7.722 0.020 . 1 . . . A 264 LEU H . 34043 1 840 . 1 1 71 71 LEU HA H 1 4.078 0.020 . 1 . . . A 264 LEU HA . 34043 1 841 . 1 1 71 71 LEU HB2 H 1 1.385 0.020 . 2 . . . A 264 LEU HB2 . 34043 1 842 . 1 1 71 71 LEU HB3 H 1 1.672 0.020 . 2 . . . A 264 LEU HB3 . 34043 1 843 . 1 1 71 71 LEU HG H 1 0.242 0.020 . 1 . . . A 264 LEU HG . 34043 1 844 . 1 1 71 71 LEU HD11 H 1 0.592 0.020 . 2 . . . A 264 LEU HD11 . 34043 1 845 . 1 1 71 71 LEU HD12 H 1 0.592 0.020 . 2 . . . A 264 LEU HD12 . 34043 1 846 . 1 1 71 71 LEU HD13 H 1 0.592 0.020 . 2 . . . A 264 LEU HD13 . 34043 1 847 . 1 1 71 71 LEU HD21 H 1 0.662 0.020 . 2 . . . A 264 LEU HD21 . 34043 1 848 . 1 1 71 71 LEU HD22 H 1 0.662 0.020 . 2 . . . A 264 LEU HD22 . 34043 1 849 . 1 1 71 71 LEU HD23 H 1 0.662 0.020 . 2 . . . A 264 LEU HD23 . 34043 1 850 . 1 1 71 71 LEU C C 13 177.735 0.400 . 1 . . . A 264 LEU C . 34043 1 851 . 1 1 71 71 LEU CA C 13 53.902 0.400 . 1 . . . A 264 LEU CA . 34043 1 852 . 1 1 71 71 LEU CB C 13 42.272 0.400 . 1 . . . A 264 LEU CB . 34043 1 853 . 1 1 71 71 LEU CG C 13 25.610 0.400 . 1 . . . A 264 LEU CG . 34043 1 854 . 1 1 71 71 LEU CD1 C 13 22.219 0.400 . 1 . . . A 264 LEU CD1 . 34043 1 855 . 1 1 71 71 LEU CD2 C 13 22.204 0.400 . 1 . . . A 264 LEU CD2 . 34043 1 856 . 1 1 71 71 LEU N N 15 119.970 0.400 . 1 . . . A 264 LEU N . 34043 1 857 . 1 1 72 72 PHE H H 1 7.214 0.020 . 1 . . . A 265 PHE H . 34043 1 858 . 1 1 72 72 PHE HA H 1 4.544 0.020 . 1 . . . A 265 PHE HA . 34043 1 859 . 1 1 72 72 PHE HB2 H 1 2.955 0.020 . 2 . . . A 265 PHE HB2 . 34043 1 860 . 1 1 72 72 PHE HB3 H 1 3.207 0.020 . 2 . . . A 265 PHE HB3 . 34043 1 861 . 1 1 72 72 PHE HD1 H 1 6.838 0.020 . 1 . . . A 265 PHE HD1 . 34043 1 862 . 1 1 72 72 PHE HD2 H 1 6.838 0.020 . 1 . . . A 265 PHE HD2 . 34043 1 863 . 1 1 72 72 PHE HE1 H 1 6.887 0.020 . 1 . . . A 265 PHE HE1 . 34043 1 864 . 1 1 72 72 PHE HE2 H 1 6.887 0.020 . 1 . . . A 265 PHE HE2 . 34043 1 865 . 1 1 72 72 PHE C C 13 173.446 0.400 . 1 . . . A 265 PHE C . 34043 1 866 . 1 1 72 72 PHE CA C 13 52.357 0.400 . 1 . . . A 265 PHE CA . 34043 1 867 . 1 1 72 72 PHE CB C 13 35.143 0.400 . 1 . . . A 265 PHE CB . 34043 1 868 . 1 1 72 72 PHE CD2 C 13 129.963 0.400 . 1 . . . A 265 PHE CD2 . 34043 1 869 . 1 1 72 72 PHE CE2 C 13 131.374 0.400 . 1 . . . A 265 PHE CE2 . 34043 1 870 . 1 1 72 72 PHE N N 15 119.707 0.400 . 1 . . . A 265 PHE N . 34043 1 871 . 1 1 73 73 PRO HA H 1 4.457 0.020 . 1 . . . A 266 PRO HA . 34043 1 872 . 1 1 73 73 PRO HB2 H 1 1.890 0.020 . 2 . . . A 266 PRO HB2 . 34043 1 873 . 1 1 73 73 PRO HB3 H 1 2.210 0.020 . 2 . . . A 266 PRO HB3 . 34043 1 874 . 1 1 73 73 PRO HG2 H 1 1.628 0.020 . 2 . . . A 266 PRO HG2 . 34043 1 875 . 1 1 73 73 PRO HG3 H 1 1.716 0.020 . 2 . . . A 266 PRO HG3 . 34043 1 876 . 1 1 73 73 PRO HD2 H 1 3.071 0.020 . 2 . . . A 266 PRO HD2 . 34043 1 877 . 1 1 73 73 PRO HD3 H 1 3.539 0.020 . 2 . . . A 266 PRO HD3 . 34043 1 878 . 1 1 73 73 PRO C C 13 174.345 0.400 . 1 . . . A 266 PRO C . 34043 1 879 . 1 1 73 73 PRO CA C 13 61.770 0.400 . 1 . . . A 266 PRO CA . 34043 1 880 . 1 1 73 73 PRO CB C 13 31.537 0.400 . 1 . . . A 266 PRO CB . 34043 1 881 . 1 1 73 73 PRO CG C 13 27.107 0.400 . 1 . . . A 266 PRO CG . 34043 1 882 . 1 1 73 73 PRO CD C 13 49.680 0.400 . 1 . . . A 266 PRO CD . 34043 1 883 . 1 1 74 74 LYS H H 1 8.111 0.020 . 1 . . . A 267 LYS H . 34043 1 884 . 1 1 74 74 LYS HA H 1 4.560 0.020 . 1 . . . A 267 LYS HA . 34043 1 885 . 1 1 74 74 LYS HB2 H 1 1.711 0.020 . 2 . . . A 267 LYS HB2 . 34043 1 886 . 1 1 74 74 LYS HB3 H 1 1.745 0.020 . 2 . . . A 267 LYS HB3 . 34043 1 887 . 1 1 74 74 LYS HG2 H 1 1.338 0.020 . 2 . . . A 267 LYS HG2 . 34043 1 888 . 1 1 74 74 LYS HG3 H 1 1.338 0.020 . 2 . . . A 267 LYS HG3 . 34043 1 889 . 1 1 74 74 LYS HD2 H 1 1.643 0.020 . 2 . . . A 267 LYS HD2 . 34043 1 890 . 1 1 74 74 LYS HD3 H 1 1.643 0.020 . 2 . . . A 267 LYS HD3 . 34043 1 891 . 1 1 74 74 LYS HE2 H 1 2.912 0.020 . 2 . . . A 267 LYS HE2 . 34043 1 892 . 1 1 74 74 LYS HE3 H 1 3.151 0.020 . 2 . . . A 267 LYS HE3 . 34043 1 893 . 1 1 74 74 LYS C C 13 175.759 0.400 . 1 . . . A 267 LYS C . 34043 1 894 . 1 1 74 74 LYS CA C 13 53.786 0.400 . 1 . . . A 267 LYS CA . 34043 1 895 . 1 1 74 74 LYS CB C 13 32.419 0.400 . 1 . . . A 267 LYS CB . 34043 1 896 . 1 1 74 74 LYS N N 15 119.737 0.400 . 1 . . . A 267 LYS N . 34043 1 897 . 1 1 75 75 PRO HA H 1 4.450 0.020 . 1 . . . A 268 PRO HA . 34043 1 898 . 1 1 75 75 PRO HB2 H 1 1.661 0.020 . 2 . . . A 268 PRO HB2 . 34043 1 899 . 1 1 75 75 PRO HB3 H 1 2.255 0.020 . 2 . . . A 268 PRO HB3 . 34043 1 900 . 1 1 75 75 PRO HG2 H 1 1.538 0.020 . 2 . . . A 268 PRO HG2 . 34043 1 901 . 1 1 75 75 PRO HG3 H 1 1.773 0.020 . 2 . . . A 268 PRO HG3 . 34043 1 902 . 1 1 75 75 PRO HD2 H 1 3.706 0.020 . 2 . . . A 268 PRO HD2 . 34043 1 903 . 1 1 75 75 PRO HD3 H 1 4.016 0.020 . 2 . . . A 268 PRO HD3 . 34043 1 904 . 1 1 75 75 PRO C C 13 175.366 0.400 . 1 . . . A 268 PRO C . 34043 1 905 . 1 1 75 75 PRO CA C 13 61.923 0.400 . 1 . . . A 268 PRO CA . 34043 1 906 . 1 1 75 75 PRO CB C 13 32.292 0.400 . 1 . . . A 268 PRO CB . 34043 1 907 . 1 1 75 75 PRO CG C 13 26.782 0.400 . 1 . . . A 268 PRO CG . 34043 1 908 . 1 1 75 75 PRO CD C 13 50.335 0.400 . 1 . . . A 268 PRO CD . 34043 1 909 . 1 1 76 76 GLU H H 1 8.388 0.020 . 1 . . . A 269 GLU H . 34043 1 910 . 1 1 76 76 GLU HA H 1 3.982 0.020 . 1 . . . A 269 GLU HA . 34043 1 911 . 1 1 76 76 GLU HB2 H 1 1.806 0.020 . 2 . . . A 269 GLU HB2 . 34043 1 912 . 1 1 76 76 GLU HB3 H 1 1.992 0.020 . 2 . . . A 269 GLU HB3 . 34043 1 913 . 1 1 76 76 GLU HG2 H 1 2.199 0.020 . 2 . . . A 269 GLU HG2 . 34043 1 914 . 1 1 76 76 GLU HG3 H 1 2.199 0.020 . 2 . . . A 269 GLU HG3 . 34043 1 915 . 1 1 76 76 GLU C C 13 175.941 0.400 . 1 . . . A 269 GLU C . 34043 1 916 . 1 1 76 76 GLU CA C 13 57.981 0.400 . 1 . . . A 269 GLU CA . 34043 1 917 . 1 1 76 76 GLU CB C 13 29.885 0.400 . 1 . . . A 269 GLU CB . 34043 1 918 . 1 1 76 76 GLU CG C 13 36.709 0.400 . 1 . . . A 269 GLU CG . 34043 1 919 . 1 1 76 76 GLU N N 15 116.772 0.400 . 1 . . . A 269 GLU N . 34043 1 920 . 1 1 77 77 GLU H H 1 7.393 0.020 . 1 . . . A 270 GLU H . 34043 1 921 . 1 1 77 77 GLU HA H 1 4.387 0.020 . 1 . . . A 270 GLU HA . 34043 1 922 . 1 1 77 77 GLU HB2 H 1 1.802 0.020 . 2 . . . A 270 GLU HB2 . 34043 1 923 . 1 1 77 77 GLU HB3 H 1 1.966 0.020 . 2 . . . A 270 GLU HB3 . 34043 1 924 . 1 1 77 77 GLU HG2 H 1 1.977 0.020 . 2 . . . A 270 GLU HG2 . 34043 1 925 . 1 1 77 77 GLU HG3 H 1 1.977 0.020 . 2 . . . A 270 GLU HG3 . 34043 1 926 . 1 1 77 77 GLU C C 13 173.109 0.400 . 1 . . . A 270 GLU C . 34043 1 927 . 1 1 77 77 GLU CA C 13 53.494 0.400 . 1 . . . A 270 GLU CA . 34043 1 928 . 1 1 77 77 GLU CB C 13 32.552 0.400 . 1 . . . A 270 GLU CB . 34043 1 929 . 1 1 77 77 GLU CG C 13 34.976 0.400 . 1 . . . A 270 GLU CG . 34043 1 930 . 1 1 77 77 GLU N N 15 114.158 0.400 . 1 . . . A 270 GLU N . 34043 1 931 . 1 1 78 78 THR H H 1 8.292 0.020 . 1 . . . A 271 THR H . 34043 1 932 . 1 1 78 78 THR HA H 1 4.319 0.020 . 1 . . . A 271 THR HA . 34043 1 933 . 1 1 78 78 THR HB H 1 3.819 0.020 . 1 . . . A 271 THR HB . 34043 1 934 . 1 1 78 78 THR HG21 H 1 0.849 0.020 . 1 . . . A 271 THR HG21 . 34043 1 935 . 1 1 78 78 THR HG22 H 1 0.849 0.020 . 1 . . . A 271 THR HG22 . 34043 1 936 . 1 1 78 78 THR HG23 H 1 0.849 0.020 . 1 . . . A 271 THR HG23 . 34043 1 937 . 1 1 78 78 THR C C 13 174.377 0.400 . 1 . . . A 271 THR C . 34043 1 938 . 1 1 78 78 THR CA C 13 64.382 0.400 . 1 . . . A 271 THR CA . 34043 1 939 . 1 1 78 78 THR CB C 13 69.569 0.400 . 1 . . . A 271 THR CB . 34043 1 940 . 1 1 78 78 THR CG2 C 13 22.541 0.400 . 1 . . . A 271 THR CG2 . 34043 1 941 . 1 1 78 78 THR N N 15 116.558 0.400 . 1 . . . A 271 THR N . 34043 1 942 . 1 1 79 79 VAL H H 1 8.717 0.020 . 1 . . . A 272 VAL H . 34043 1 943 . 1 1 79 79 VAL HA H 1 4.308 0.020 . 1 . . . A 272 VAL HA . 34043 1 944 . 1 1 79 79 VAL HB H 1 1.846 0.020 . 1 . . . A 272 VAL HB . 34043 1 945 . 1 1 79 79 VAL HG11 H 1 0.815 0.020 . 2 . . . A 272 VAL HG11 . 34043 1 946 . 1 1 79 79 VAL HG12 H 1 0.815 0.020 . 2 . . . A 272 VAL HG12 . 34043 1 947 . 1 1 79 79 VAL HG13 H 1 0.815 0.020 . 2 . . . A 272 VAL HG13 . 34043 1 948 . 1 1 79 79 VAL HG21 H 1 0.816 0.020 . 2 . . . A 272 VAL HG21 . 34043 1 949 . 1 1 79 79 VAL HG22 H 1 0.816 0.020 . 2 . . . A 272 VAL HG22 . 34043 1 950 . 1 1 79 79 VAL HG23 H 1 0.816 0.020 . 2 . . . A 272 VAL HG23 . 34043 1 951 . 1 1 79 79 VAL C C 13 172.631 0.400 . 1 . . . A 272 VAL C . 34043 1 952 . 1 1 79 79 VAL CA C 13 59.671 0.400 . 1 . . . A 272 VAL CA . 34043 1 953 . 1 1 79 79 VAL CB C 13 35.594 0.400 . 1 . . . A 272 VAL CB . 34043 1 954 . 1 1 79 79 VAL CG1 C 13 20.603 0.400 . 1 . . . A 272 VAL CG1 . 34043 1 955 . 1 1 79 79 VAL CG2 C 13 21.035 0.400 . 1 . . . A 272 VAL CG2 . 34043 1 956 . 1 1 79 79 VAL N N 15 124.084 0.400 . 1 . . . A 272 VAL N . 34043 1 957 . 1 1 80 80 HIS H H 1 8.393 0.020 . 1 . . . A 273 HIS H . 34043 1 958 . 1 1 80 80 HIS HA H 1 4.945 0.020 . 1 . . . A 273 HIS HA . 34043 1 959 . 1 1 80 80 HIS HB2 H 1 2.877 0.020 . 2 . . . A 273 HIS HB2 . 34043 1 960 . 1 1 80 80 HIS HB3 H 1 3.038 0.020 . 2 . . . A 273 HIS HB3 . 34043 1 961 . 1 1 80 80 HIS HD2 H 1 7.022 0.020 . 1 . . . A 273 HIS HD2 . 34043 1 962 . 1 1 80 80 HIS CA C 13 54.668 0.400 . 1 . . . A 273 HIS CA . 34043 1 963 . 1 1 80 80 HIS CB C 13 30.074 0.400 . 1 . . . A 273 HIS CB . 34043 1 964 . 1 1 80 80 HIS CD2 C 13 121.192 0.400 . 1 . . . A 273 HIS CD2 . 34043 1 965 . 1 1 80 80 HIS N N 15 123.813 0.400 . 1 . . . A 273 HIS N . 34043 1 966 . 1 1 81 81 LEU H H 1 8.571 0.020 . 1 . . . A 274 LEU H . 34043 1 967 . 1 1 81 81 LEU HA H 1 4.548 0.020 . 1 . . . A 274 LEU HA . 34043 1 968 . 1 1 81 81 LEU HB2 H 1 0.499 0.020 . 2 . . . A 274 LEU HB2 . 34043 1 969 . 1 1 81 81 LEU HB3 H 1 0.776 0.020 . 2 . . . A 274 LEU HB3 . 34043 1 970 . 1 1 81 81 LEU HG H 1 1.207 0.020 . 1 . . . A 274 LEU HG . 34043 1 971 . 1 1 81 81 LEU HD11 H 1 0.594 0.020 . 2 . . . A 274 LEU HD11 . 34043 1 972 . 1 1 81 81 LEU HD12 H 1 0.594 0.020 . 2 . . . A 274 LEU HD12 . 34043 1 973 . 1 1 81 81 LEU HD13 H 1 0.594 0.020 . 2 . . . A 274 LEU HD13 . 34043 1 974 . 1 1 81 81 LEU HD21 H 1 0.687 0.020 . 2 . . . A 274 LEU HD21 . 34043 1 975 . 1 1 81 81 LEU HD22 H 1 0.687 0.020 . 2 . . . A 274 LEU HD22 . 34043 1 976 . 1 1 81 81 LEU HD23 H 1 0.687 0.020 . 2 . . . A 274 LEU HD23 . 34043 1 977 . 1 1 81 81 LEU C C 13 175.731 0.400 . 1 . . . A 274 LEU C . 34043 1 978 . 1 1 81 81 LEU CA C 13 53.601 0.400 . 1 . . . A 274 LEU CA . 34043 1 979 . 1 1 81 81 LEU CB C 13 45.350 0.400 . 1 . . . A 274 LEU CB . 34043 1 980 . 1 1 81 81 LEU CG C 13 27.548 0.400 . 1 . . . A 274 LEU CG . 34043 1 981 . 1 1 81 81 LEU CD1 C 13 26.475 0.400 . 1 . . . A 274 LEU CD1 . 34043 1 982 . 1 1 81 81 LEU CD2 C 13 24.422 0.400 . 1 . . . A 274 LEU CD2 . 34043 1 983 . 1 1 81 81 LEU N N 15 125.108 0.400 . 1 . . . A 274 LEU N . 34043 1 984 . 1 1 82 82 LYS H H 1 7.882 0.020 . 1 . . . A 275 LYS H . 34043 1 985 . 1 1 82 82 LYS HA H 1 5.073 0.020 . 1 . . . A 275 LYS HA . 34043 1 986 . 1 1 82 82 LYS HB2 H 1 1.416 0.020 . 2 . . . A 275 LYS HB2 . 34043 1 987 . 1 1 82 82 LYS HB3 H 1 1.533 0.020 . 2 . . . A 275 LYS HB3 . 34043 1 988 . 1 1 82 82 LYS HG2 H 1 1.097 0.020 . 2 . . . A 275 LYS HG2 . 34043 1 989 . 1 1 82 82 LYS HG3 H 1 1.276 0.020 . 2 . . . A 275 LYS HG3 . 34043 1 990 . 1 1 82 82 LYS HD2 H 1 1.517 0.020 . 2 . . . A 275 LYS HD2 . 34043 1 991 . 1 1 82 82 LYS HD3 H 1 1.517 0.020 . 2 . . . A 275 LYS HD3 . 34043 1 992 . 1 1 82 82 LYS HE2 H 1 2.834 0.020 . 2 . . . A 275 LYS HE2 . 34043 1 993 . 1 1 82 82 LYS HE3 H 1 2.834 0.020 . 2 . . . A 275 LYS HE3 . 34043 1 994 . 1 1 82 82 LYS C C 13 175.310 0.400 . 1 . . . A 275 LYS C . 34043 1 995 . 1 1 82 82 LYS CA C 13 55.511 0.400 . 1 . . . A 275 LYS CA . 34043 1 996 . 1 1 82 82 LYS CB C 13 34.508 0.400 . 1 . . . A 275 LYS CB . 34043 1 997 . 1 1 82 82 LYS CG C 13 24.949 0.400 . 1 . . . A 275 LYS CG . 34043 1 998 . 1 1 82 82 LYS CD C 13 29.858 0.400 . 1 . . . A 275 LYS CD . 34043 1 999 . 1 1 82 82 LYS CE C 13 41.790 0.400 . 1 . . . A 275 LYS CE . 34043 1 1000 . 1 1 82 82 LYS N N 15 119.517 0.400 . 1 . . . A 275 LYS N . 34043 1 1001 . 1 1 83 83 ILE H H 1 8.971 0.020 . 1 . . . A 276 ILE H . 34043 1 1002 . 1 1 83 83 ILE HA H 1 4.766 0.020 . 1 . . . A 276 ILE HA . 34043 1 1003 . 1 1 83 83 ILE HB H 1 1.768 0.020 . 1 . . . A 276 ILE HB . 34043 1 1004 . 1 1 83 83 ILE HG12 H 1 1.326 0.020 . 2 . . . A 276 ILE HG12 . 34043 1 1005 . 1 1 83 83 ILE HG13 H 1 1.108 0.020 . 2 . . . A 276 ILE HG13 . 34043 1 1006 . 1 1 83 83 ILE HG21 H 1 0.797 0.020 . 1 . . . A 276 ILE HG21 . 34043 1 1007 . 1 1 83 83 ILE HG22 H 1 0.797 0.020 . 1 . . . A 276 ILE HG22 . 34043 1 1008 . 1 1 83 83 ILE HG23 H 1 0.797 0.020 . 1 . . . A 276 ILE HG23 . 34043 1 1009 . 1 1 83 83 ILE HD11 H 1 0.680 0.020 . 1 . . . A 276 ILE HD11 . 34043 1 1010 . 1 1 83 83 ILE HD12 H 1 0.680 0.020 . 1 . . . A 276 ILE HD12 . 34043 1 1011 . 1 1 83 83 ILE HD13 H 1 0.680 0.020 . 1 . . . A 276 ILE HD13 . 34043 1 1012 . 1 1 83 83 ILE C C 13 173.096 0.400 . 1 . . . A 276 ILE C . 34043 1 1013 . 1 1 83 83 ILE CA C 13 56.173 0.400 . 1 . . . A 276 ILE CA . 34043 1 1014 . 1 1 83 83 ILE CB C 13 42.068 0.400 . 1 . . . A 276 ILE CB . 34043 1 1015 . 1 1 83 83 ILE CG1 C 13 27.046 0.400 . 1 . . . A 276 ILE CG1 . 34043 1 1016 . 1 1 83 83 ILE CG2 C 13 17.081 0.400 . 1 . . . A 276 ILE CG2 . 34043 1 1017 . 1 1 83 83 ILE CD1 C 13 12.441 0.400 . 1 . . . A 276 ILE CD1 . 34043 1 1018 . 1 1 83 83 ILE N N 15 123.129 0.400 . 1 . . . A 276 ILE N . 34043 1 1019 . 1 1 84 84 PRO HA H 1 5.028 0.020 . 1 . . . A 277 PRO HA . 34043 1 1020 . 1 1 84 84 PRO HB2 H 1 1.713 0.020 . 2 . . . A 277 PRO HB2 . 34043 1 1021 . 1 1 84 84 PRO HB3 H 1 1.941 0.020 . 2 . . . A 277 PRO HB3 . 34043 1 1022 . 1 1 84 84 PRO HG2 H 1 1.922 0.020 . 2 . . . A 277 PRO HG2 . 34043 1 1023 . 1 1 84 84 PRO HG3 H 1 2.140 0.020 . 2 . . . A 277 PRO HG3 . 34043 1 1024 . 1 1 84 84 PRO HD2 H 1 3.603 0.020 . 2 . . . A 277 PRO HD2 . 34043 1 1025 . 1 1 84 84 PRO HD3 H 1 3.745 0.020 . 2 . . . A 277 PRO HD3 . 34043 1 1026 . 1 1 84 84 PRO C C 13 176.228 0.400 . 1 . . . A 277 PRO C . 34043 1 1027 . 1 1 84 84 PRO CA C 13 61.180 0.400 . 1 . . . A 277 PRO CA . 34043 1 1028 . 1 1 84 84 PRO CB C 13 31.287 0.400 . 1 . . . A 277 PRO CB . 34043 1 1029 . 1 1 84 84 PRO CG C 13 26.674 0.400 . 1 . . . A 277 PRO CG . 34043 1 1030 . 1 1 84 84 PRO CD C 13 50.904 0.400 . 1 . . . A 277 PRO CD . 34043 1 1031 . 1 1 85 85 ILE H H 1 9.254 0.020 . 1 . . . A 278 ILE H . 34043 1 1032 . 1 1 85 85 ILE HA H 1 3.901 0.020 . 1 . . . A 278 ILE HA . 34043 1 1033 . 1 1 85 85 ILE HB H 1 1.748 0.020 . 1 . . . A 278 ILE HB . 34043 1 1034 . 1 1 85 85 ILE HG12 H 1 0.987 0.020 . 2 . . . A 278 ILE HG12 . 34043 1 1035 . 1 1 85 85 ILE HG13 H 1 0.987 0.020 . 2 . . . A 278 ILE HG13 . 34043 1 1036 . 1 1 85 85 ILE HG21 H 1 0.372 0.020 . 1 . . . A 278 ILE HG21 . 34043 1 1037 . 1 1 85 85 ILE HG22 H 1 0.372 0.020 . 1 . . . A 278 ILE HG22 . 34043 1 1038 . 1 1 85 85 ILE HG23 H 1 0.372 0.020 . 1 . . . A 278 ILE HG23 . 34043 1 1039 . 1 1 85 85 ILE HD11 H 1 0.716 0.020 . 1 . . . A 278 ILE HD11 . 34043 1 1040 . 1 1 85 85 ILE HD12 H 1 0.716 0.020 . 1 . . . A 278 ILE HD12 . 34043 1 1041 . 1 1 85 85 ILE HD13 H 1 0.716 0.020 . 1 . . . A 278 ILE HD13 . 34043 1 1042 . 1 1 85 85 ILE C C 13 173.494 0.400 . 1 . . . A 278 ILE C . 34043 1 1043 . 1 1 85 85 ILE CA C 13 60.924 0.400 . 1 . . . A 278 ILE CA . 34043 1 1044 . 1 1 85 85 ILE CB C 13 38.685 0.400 . 1 . . . A 278 ILE CB . 34043 1 1045 . 1 1 85 85 ILE CG2 C 13 16.634 0.400 . 1 . . . A 278 ILE CG2 . 34043 1 1046 . 1 1 85 85 ILE CD1 C 13 13.554 0.400 . 1 . . . A 278 ILE CD1 . 34043 1 1047 . 1 1 85 85 ILE N N 15 126.457 0.400 . 1 . . . A 278 ILE N . 34043 1 1048 . 1 1 86 86 ALA H H 1 8.085 0.020 . 1 . . . A 279 ALA H . 34043 1 1049 . 1 1 86 86 ALA HA H 1 4.859 0.020 . 1 . . . A 279 ALA HA . 34043 1 1050 . 1 1 86 86 ALA HB1 H 1 1.185 0.020 . 1 . . . A 279 ALA HB1 . 34043 1 1051 . 1 1 86 86 ALA HB2 H 1 1.185 0.020 . 1 . . . A 279 ALA HB2 . 34043 1 1052 . 1 1 86 86 ALA HB3 H 1 1.185 0.020 . 1 . . . A 279 ALA HB3 . 34043 1 1053 . 1 1 86 86 ALA C C 13 175.981 0.400 . 1 . . . A 279 ALA C . 34043 1 1054 . 1 1 86 86 ALA CA C 13 50.605 0.400 . 1 . . . A 279 ALA CA . 34043 1 1055 . 1 1 86 86 ALA CB C 13 21.311 0.400 . 1 . . . A 279 ALA CB . 34043 1 1056 . 1 1 86 86 ALA N N 15 128.896 0.400 . 1 . . . A 279 ALA N . 34043 1 1057 . 1 1 87 87 TYR H H 1 8.879 0.020 . 1 . . . A 280 TYR H . 34043 1 1058 . 1 1 87 87 TYR HA H 1 4.207 0.020 . 1 . . . A 280 TYR HA . 34043 1 1059 . 1 1 87 87 TYR HB2 H 1 2.089 0.020 . 2 . . . A 280 TYR HB2 . 34043 1 1060 . 1 1 87 87 TYR HB3 H 1 2.454 0.020 . 2 . . . A 280 TYR HB3 . 34043 1 1061 . 1 1 87 87 TYR HD1 H 1 6.367 0.020 . 1 . . . A 280 TYR HD1 . 34043 1 1062 . 1 1 87 87 TYR HD2 H 1 6.367 0.020 . 1 . . . A 280 TYR HD2 . 34043 1 1063 . 1 1 87 87 TYR HE1 H 1 6.370 0.020 . 1 . . . A 280 TYR HE1 . 34043 1 1064 . 1 1 87 87 TYR HE2 H 1 6.370 0.020 . 1 . . . A 280 TYR HE2 . 34043 1 1065 . 1 1 87 87 TYR C C 13 174.980 0.400 . 1 . . . A 280 TYR C . 34043 1 1066 . 1 1 87 87 TYR CA C 13 57.588 0.400 . 1 . . . A 280 TYR CA . 34043 1 1067 . 1 1 87 87 TYR CB C 13 39.197 0.400 . 1 . . . A 280 TYR CB . 34043 1 1068 . 1 1 87 87 TYR CD1 C 13 133.916 0.400 . 1 . . . A 280 TYR CD1 . 34043 1 1069 . 1 1 87 87 TYR CE1 C 13 118.479 0.400 . 1 . . . A 280 TYR CE1 . 34043 1 1070 . 1 1 87 87 TYR N N 15 121.296 0.400 . 1 . . . A 280 TYR N . 34043 1 1071 . 1 1 88 88 SER H H 1 8.648 0.020 . 1 . . . A 281 SER H . 34043 1 1072 . 1 1 88 88 SER HA H 1 4.982 0.020 . 1 . . . A 281 SER HA . 34043 1 1073 . 1 1 88 88 SER HB2 H 1 3.645 0.020 . 2 . . . A 281 SER HB2 . 34043 1 1074 . 1 1 88 88 SER HB3 H 1 3.645 0.020 . 2 . . . A 281 SER HB3 . 34043 1 1075 . 1 1 88 88 SER C C 13 174.027 0.400 . 1 . . . A 281 SER C . 34043 1 1076 . 1 1 88 88 SER CA C 13 56.235 0.400 . 1 . . . A 281 SER CA . 34043 1 1077 . 1 1 88 88 SER CB C 13 65.224 0.400 . 1 . . . A 281 SER CB . 34043 1 1078 . 1 1 88 88 SER N N 15 118.577 0.400 . 1 . . . A 281 SER N . 34043 1 1079 . 1 1 89 89 LEU H H 1 9.549 0.020 . 1 . . . A 282 LEU H . 34043 1 1080 . 1 1 89 89 LEU HA H 1 4.295 0.020 . 1 . . . A 282 LEU HA . 34043 1 1081 . 1 1 89 89 LEU HB2 H 1 1.501 0.020 . 2 . . . A 282 LEU HB2 . 34043 1 1082 . 1 1 89 89 LEU HB3 H 1 1.501 0.020 . 2 . . . A 282 LEU HB3 . 34043 1 1083 . 1 1 89 89 LEU HG H 1 1.745 0.020 . 1 . . . A 282 LEU HG . 34043 1 1084 . 1 1 89 89 LEU HD11 H 1 0.639 0.020 . 2 . . . A 282 LEU HD11 . 34043 1 1085 . 1 1 89 89 LEU HD12 H 1 0.639 0.020 . 2 . . . A 282 LEU HD12 . 34043 1 1086 . 1 1 89 89 LEU HD13 H 1 0.639 0.020 . 2 . . . A 282 LEU HD13 . 34043 1 1087 . 1 1 89 89 LEU HD21 H 1 0.759 0.020 . 2 . . . A 282 LEU HD21 . 34043 1 1088 . 1 1 89 89 LEU HD22 H 1 0.759 0.020 . 2 . . . A 282 LEU HD22 . 34043 1 1089 . 1 1 89 89 LEU HD23 H 1 0.759 0.020 . 2 . . . A 282 LEU HD23 . 34043 1 1090 . 1 1 89 89 LEU C C 13 177.181 0.400 . 1 . . . A 282 LEU C . 34043 1 1091 . 1 1 89 89 LEU CA C 13 55.249 0.400 . 1 . . . A 282 LEU CA . 34043 1 1092 . 1 1 89 89 LEU CB C 13 42.076 0.400 . 1 . . . A 282 LEU CB . 34043 1 1093 . 1 1 89 89 LEU CG C 13 26.536 0.400 . 1 . . . A 282 LEU CG . 34043 1 1094 . 1 1 89 89 LEU CD1 C 13 23.585 0.400 . 1 . . . A 282 LEU CD1 . 34043 1 1095 . 1 1 89 89 LEU CD2 C 13 25.442 0.400 . 1 . . . A 282 LEU CD2 . 34043 1 1096 . 1 1 89 89 LEU N N 15 127.764 0.400 . 1 . . . A 282 LEU N . 34043 1 1097 . 1 1 90 90 LYS H H 1 8.046 0.020 . 1 . . . A 283 LYS H . 34043 1 1098 . 1 1 90 90 LYS HA H 1 4.249 0.020 . 1 . . . A 283 LYS HA . 34043 1 1099 . 1 1 90 90 LYS HB2 H 1 1.655 0.020 . 2 . . . A 283 LYS HB2 . 34043 1 1100 . 1 1 90 90 LYS HB3 H 1 1.752 0.020 . 2 . . . A 283 LYS HB3 . 34043 1 1101 . 1 1 90 90 LYS HG2 H 1 1.337 0.020 . 2 . . . A 283 LYS HG2 . 34043 1 1102 . 1 1 90 90 LYS HG3 H 1 1.337 0.020 . 2 . . . A 283 LYS HG3 . 34043 1 1103 . 1 1 90 90 LYS HD2 H 1 1.595 0.020 . 2 . . . A 283 LYS HD2 . 34043 1 1104 . 1 1 90 90 LYS HD3 H 1 1.595 0.020 . 2 . . . A 283 LYS HD3 . 34043 1 1105 . 1 1 90 90 LYS HE2 H 1 2.924 0.020 . 2 . . . A 283 LYS HE2 . 34043 1 1106 . 1 1 90 90 LYS HE3 H 1 2.924 0.020 . 2 . . . A 283 LYS HE3 . 34043 1 1107 . 1 1 90 90 LYS C C 13 176.161 0.400 . 1 . . . A 283 LYS C . 34043 1 1108 . 1 1 90 90 LYS CA C 13 56.276 0.400 . 1 . . . A 283 LYS CA . 34043 1 1109 . 1 1 90 90 LYS CB C 13 33.275 0.400 . 1 . . . A 283 LYS CB . 34043 1 1110 . 1 1 90 90 LYS CG C 13 24.462 0.400 . 1 . . . A 283 LYS CG . 34043 1 1111 . 1 1 90 90 LYS CD C 13 29.022 0.400 . 1 . . . A 283 LYS CD . 34043 1 1112 . 1 1 90 90 LYS CE C 13 41.967 0.400 . 1 . . . A 283 LYS CE . 34043 1 1113 . 1 1 90 90 LYS N N 15 121.115 0.400 . 1 . . . A 283 LYS N . 34043 1 1114 . 1 1 91 91 GLU H H 1 8.400 0.020 . 1 . . . A 284 GLU H . 34043 1 1115 . 1 1 91 91 GLU HA H 1 4.272 0.020 . 1 . . . A 284 GLU HA . 34043 1 1116 . 1 1 91 91 GLU HB2 H 1 1.823 0.020 . 2 . . . A 284 GLU HB2 . 34043 1 1117 . 1 1 91 91 GLU HB3 H 1 2.019 0.020 . 2 . . . A 284 GLU HB3 . 34043 1 1118 . 1 1 91 91 GLU HG2 H 1 2.183 0.020 . 2 . . . A 284 GLU HG2 . 34043 1 1119 . 1 1 91 91 GLU HG3 H 1 2.183 0.020 . 2 . . . A 284 GLU HG3 . 34043 1 1120 . 1 1 91 91 GLU C C 13 175.158 0.400 . 1 . . . A 284 GLU C . 34043 1 1121 . 1 1 91 91 GLU CA C 13 56.283 0.400 . 1 . . . A 284 GLU CA . 34043 1 1122 . 1 1 91 91 GLU CB C 13 30.656 0.400 . 1 . . . A 284 GLU CB . 34043 1 1123 . 1 1 91 91 GLU CG C 13 36.363 0.400 . 1 . . . A 284 GLU CG . 34043 1 1124 . 1 1 91 91 GLU N N 15 123.436 0.400 . 1 . . . A 284 GLU N . 34043 1 1125 . 1 1 92 92 ASP H H 1 7.943 0.020 . 1 . . . A 285 ASP H . 34043 1 1126 . 1 1 92 92 ASP HA H 1 4.288 0.020 . 1 . . . A 285 ASP HA . 34043 1 1127 . 1 1 92 92 ASP HB2 H 1 2.492 0.020 . 2 . . . A 285 ASP HB2 . 34043 1 1128 . 1 1 92 92 ASP HB3 H 1 2.558 0.020 . 2 . . . A 285 ASP HB3 . 34043 1 1129 . 1 1 92 92 ASP C C 13 180.740 0.400 . 1 . . . A 285 ASP C . 34043 1 1130 . 1 1 92 92 ASP CA C 13 55.653 0.400 . 1 . . . A 285 ASP CA . 34043 1 1131 . 1 1 92 92 ASP CB C 13 42.182 0.400 . 1 . . . A 285 ASP CB . 34043 1 1132 . 1 1 92 92 ASP N N 15 127.018 0.400 . 1 . . . A 285 ASP N . 34043 1 stop_ save_