data_19055 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19055 _Entry.Title ; ns5a D2 con1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-26 _Entry.Accession_date 2013-02-26 _Entry.Last_release_date 2013-02-26 _Entry.Original_release_date 2013-02-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'HCV NS5A protein D2 domain con1 strain' _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 Aurelie Badillo . . . . 19055 2 Francois Penin . . . . 19055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 19055 '15N chemical shifts' 85 19055 '1H chemical shifts' 85 19055 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-01-30 . original BMRB . 19055 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19055 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; ns5a D2 con1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aurelie Badillo . . . . 19055 1 2 Xavier Hanoulle . . . . 19055 1 3 Francois Penin . . . . 19055 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'D2 domain' 19055 1 'Hepatitis C Virus' 19055 1 'Intrinsically Disordered Protein' 19055 1 NMR 19055 1 'NS5A protein' 19055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19055 _Assembly.ID 1 _Assembly.Name 'ns5a d2 con1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'ns5a d2 con1' 1 $ns5a_d2_con1 A . yes native no no . . . 19055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ns5a_d2_con1 _Entity.Sf_category entity _Entity.Sf_framecode ns5a_d2_con1 _Entity.Entry_ID 19055 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ns5a_d2_con1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DSPDADLIEANLLWRQEMGG NITRVESENKVVILDSFEPL QAEEDEREVSVPAEILRRSR KFPRAMPIWARPDYNPPLLE SWKDPDYVPPVVHGLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ns5a[248-343] _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'D2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 248 ASP . 19055 1 2 249 SER . 19055 1 3 250 PRO . 19055 1 4 251 ASP . 19055 1 5 252 ALA . 19055 1 6 253 ASP . 19055 1 7 254 LEU . 19055 1 8 255 ILE . 19055 1 9 256 GLU . 19055 1 10 257 ALA . 19055 1 11 258 ASN . 19055 1 12 259 LEU . 19055 1 13 260 LEU . 19055 1 14 261 TRP . 19055 1 15 262 ARG . 19055 1 16 263 GLN . 19055 1 17 264 GLU . 19055 1 18 265 MET . 19055 1 19 266 GLY . 19055 1 20 267 GLY . 19055 1 21 268 ASN . 19055 1 22 269 ILE . 19055 1 23 270 THR . 19055 1 24 271 ARG . 19055 1 25 272 VAL . 19055 1 26 273 GLU . 19055 1 27 274 SER . 19055 1 28 275 GLU . 19055 1 29 276 ASN . 19055 1 30 277 LYS . 19055 1 31 278 VAL . 19055 1 32 279 VAL . 19055 1 33 280 ILE . 19055 1 34 281 LEU . 19055 1 35 282 ASP . 19055 1 36 283 SER . 19055 1 37 284 PHE . 19055 1 38 285 GLU . 19055 1 39 286 PRO . 19055 1 40 287 LEU . 19055 1 41 288 GLN . 19055 1 42 289 ALA . 19055 1 43 290 GLU . 19055 1 44 291 GLU . 19055 1 45 292 ASP . 19055 1 46 293 GLU . 19055 1 47 294 ARG . 19055 1 48 295 GLU . 19055 1 49 296 VAL . 19055 1 50 297 SER . 19055 1 51 298 VAL . 19055 1 52 299 PRO . 19055 1 53 300 ALA . 19055 1 54 301 GLU . 19055 1 55 302 ILE . 19055 1 56 303 LEU . 19055 1 57 304 ARG . 19055 1 58 305 ARG . 19055 1 59 306 SER . 19055 1 60 307 ARG . 19055 1 61 308 LYS . 19055 1 62 309 PHE . 19055 1 63 310 PRO . 19055 1 64 311 ARG . 19055 1 65 312 ALA . 19055 1 66 313 MET . 19055 1 67 314 PRO . 19055 1 68 315 ILE . 19055 1 69 316 TRP . 19055 1 70 317 ALA . 19055 1 71 318 ARG . 19055 1 72 319 PRO . 19055 1 73 320 ASP . 19055 1 74 321 TYR . 19055 1 75 322 ASN . 19055 1 76 323 PRO . 19055 1 77 324 PRO . 19055 1 78 325 LEU . 19055 1 79 326 LEU . 19055 1 80 327 GLU . 19055 1 81 328 SER . 19055 1 82 329 TRP . 19055 1 83 330 LYS . 19055 1 84 331 ASP . 19055 1 85 332 PRO . 19055 1 86 333 ASP . 19055 1 87 334 TYR . 19055 1 88 335 VAL . 19055 1 89 336 PRO . 19055 1 90 337 PRO . 19055 1 91 338 VAL . 19055 1 92 339 VAL . 19055 1 93 340 HIS . 19055 1 94 341 GLY . 19055 1 95 342 LEU . 19055 1 96 343 GLN . 19055 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 . ASP 1 1 19055 1 . SER 2 2 19055 1 . PRO 3 3 19055 1 . ASP 4 4 19055 1 . ALA 5 5 19055 1 . ASP 6 6 19055 1 . LEU 7 7 19055 1 . ILE 8 8 19055 1 . GLU 9 9 19055 1 . ALA 10 10 19055 1 . ASN 11 11 19055 1 . LEU 12 12 19055 1 . LEU 13 13 19055 1 . TRP 14 14 19055 1 . ARG 15 15 19055 1 . GLN 16 16 19055 1 . GLU 17 17 19055 1 . MET 18 18 19055 1 . GLY 19 19 19055 1 . GLY 20 20 19055 1 . ASN 21 21 19055 1 . ILE 22 22 19055 1 . THR 23 23 19055 1 . ARG 24 24 19055 1 . VAL 25 25 19055 1 . GLU 26 26 19055 1 . SER 27 27 19055 1 . GLU 28 28 19055 1 . ASN 29 29 19055 1 . LYS 30 30 19055 1 . VAL 31 31 19055 1 . VAL 32 32 19055 1 . ILE 33 33 19055 1 . LEU 34 34 19055 1 . ASP 35 35 19055 1 . SER 36 36 19055 1 . PHE 37 37 19055 1 . GLU 38 38 19055 1 . PRO 39 39 19055 1 . LEU 40 40 19055 1 . GLN 41 41 19055 1 . ALA 42 42 19055 1 . GLU 43 43 19055 1 . GLU 44 44 19055 1 . ASP 45 45 19055 1 . GLU 46 46 19055 1 . ARG 47 47 19055 1 . GLU 48 48 19055 1 . VAL 49 49 19055 1 . SER 50 50 19055 1 . VAL 51 51 19055 1 . PRO 52 52 19055 1 . ALA 53 53 19055 1 . GLU 54 54 19055 1 . ILE 55 55 19055 1 . LEU 56 56 19055 1 . ARG 57 57 19055 1 . ARG 58 58 19055 1 . SER 59 59 19055 1 . ARG 60 60 19055 1 . LYS 61 61 19055 1 . PHE 62 62 19055 1 . PRO 63 63 19055 1 . ARG 64 64 19055 1 . ALA 65 65 19055 1 . MET 66 66 19055 1 . PRO 67 67 19055 1 . ILE 68 68 19055 1 . TRP 69 69 19055 1 . ALA 70 70 19055 1 . ARG 71 71 19055 1 . PRO 72 72 19055 1 . ASP 73 73 19055 1 . TYR 74 74 19055 1 . ASN 75 75 19055 1 . PRO 76 76 19055 1 . PRO 77 77 19055 1 . LEU 78 78 19055 1 . LEU 79 79 19055 1 . GLU 80 80 19055 1 . SER 81 81 19055 1 . TRP 82 82 19055 1 . LYS 83 83 19055 1 . ASP 84 84 19055 1 . PRO 85 85 19055 1 . ASP 86 86 19055 1 . TYR 87 87 19055 1 . VAL 88 88 19055 1 . PRO 89 89 19055 1 . PRO 90 90 19055 1 . VAL 91 91 19055 1 . VAL 92 92 19055 1 . HIS 93 93 19055 1 . GLY 94 94 19055 1 . LEU 95 95 19055 1 . GLN 96 96 19055 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 19055 _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 $ns5a_d2_con1 . 11103 virus . 'Hepatitis C Virus' 'Hepatitis C virus' . . Viruses . Hepacivirus . 'strain con1 genotype 1b' . . . . . . . . . . . . 19055 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 19055 _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 $ns5a_d2_con1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pt7-7 . . . 19055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19055 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ns5a d2 con1' '[U-100% 13C; U-100% 15N]' . . 1 $ns5a_d2_con1 . . 0.5 . . mM 0.1 . . . 19055 1 2 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 19055 1 3 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 19055 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 19055 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50mM NaCl 20mM Na phosphate buffer ; 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' 50 1 mM 19055 1 pH 6.8 0.1 pH 19055 1 pressure 1 . atm 19055 1 temperature 298 1 K 19055 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19055 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19055 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19055 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19055 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19055 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 19055 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19055 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19055 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19055 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19055 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced with Sodium DSP' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19055 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 19055 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19055 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19055 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19055 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 1 1 ASP H H 1 8.3621 0.01 . 1 . . . . 248 ASP HN . 19055 1 2 . 1 1 1 1 ASP C C 13 180.0925 0.01 . 1 . . . . 248 ASP CO . 19055 1 3 . 1 1 1 1 ASP CA C 13 54.2417 0.01 . 1 . . . . 248 ASP CA . 19055 1 4 . 1 1 1 1 ASP CB C 13 41.1394 0.01 . 1 . . . . 248 ASP CB . 19055 1 5 . 1 1 1 1 ASP N N 15 120.8413 0.01 . 1 . . . . 248 ASP N . 19055 1 6 . 1 1 2 2 SER H H 1 8.1503 0.01 . 1 . . . . 249 SER HN . 19055 1 7 . 1 1 2 2 SER C C 13 182.9271 0.01 . 1 . . . . 249 SER CO . 19055 1 8 . 1 1 2 2 SER CA C 13 56.313 0.01 . 1 . . . . 249 SER CA . 19055 1 9 . 1 1 2 2 SER CB C 13 63.712 0.01 . 1 . . . . 249 SER CB . 19055 1 10 . 1 1 2 2 SER N N 15 116.2616 0.01 . 1 . . . . 249 SER N . 19055 1 11 . 1 1 3 3 PRO C C 13 179.1368 0.01 . 1 . . . . 250 PRO CO . 19055 1 12 . 1 1 3 3 PRO CA C 13 63.7231 0.01 . 1 . . . . 250 PRO CA . 19055 1 13 . 1 1 3 3 PRO CB C 13 31.9892 0.01 . 1 . . . . 250 PRO CB . 19055 1 14 . 1 1 4 4 ASP H H 1 8.2871 0.01 . 1 . . . . 251 ASP HN . 19055 1 15 . 1 1 4 4 ASP C C 13 179.5557 0.01 . 1 . . . . 251 ASP CO . 19055 1 16 . 1 1 4 4 ASP CA C 13 54.5685 0.01 . 1 . . . . 251 ASP CA . 19055 1 17 . 1 1 4 4 ASP CB C 13 40.9796 0.01 . 1 . . . . 251 ASP CB . 19055 1 18 . 1 1 4 4 ASP N N 15 119.528 0.01 . 1 . . . . 251 ASP N . 19055 1 19 . 1 1 5 5 ALA H H 1 8.1078 0.01 . 1 . . . . 252 ALA HN . 19055 1 20 . 1 1 5 5 ALA C C 13 177.9087 0.01 . 1 . . . . 252 ALA CO . 19055 1 21 . 1 1 5 5 ALA CA C 13 53.6254 0.01 . 1 . . . . 252 ALA CA . 19055 1 22 . 1 1 5 5 ALA CB C 13 19.1922 0.01 . 1 . . . . 252 ALA CB . 19055 1 23 . 1 1 5 5 ALA N N 15 123.8358 0.01 . 1 . . . . 252 ALA N . 19055 1 24 . 1 1 6 6 ASP H H 1 8.3047 0.01 . 1 . . . . 253 ASP HN . 19055 1 25 . 1 1 6 6 ASP C C 13 179.1953 0.01 . 1 . . . . 253 ASP CO . 19055 1 26 . 1 1 6 6 ASP CA C 13 55.1159 0.01 . 1 . . . . 253 ASP CA . 19055 1 27 . 1 1 6 6 ASP CB C 13 40.8317 0.01 . 1 . . . . 253 ASP CB . 19055 1 28 . 1 1 6 6 ASP N N 15 118.2931 0.01 . 1 . . . . 253 ASP N . 19055 1 29 . 1 1 7 7 LEU H H 1 7.9421 0.01 . 1 . . . . 254 LEU HN . 19055 1 30 . 1 1 7 7 LEU C C 13 178.1872 0.01 . 1 . . . . 254 LEU CO . 19055 1 31 . 1 1 7 7 LEU CA C 13 55.8724 0.01 . 1 . . . . 254 LEU CA . 19055 1 32 . 1 1 7 7 LEU CB C 13 42.1565 0.01 . 1 . . . . 254 LEU CB . 19055 1 33 . 1 1 7 7 LEU N N 15 121.9196 0.01 . 1 . . . . 254 LEU N . 19055 1 34 . 1 1 8 8 ILE H H 1 7.9815 0.01 . 1 . . . . 255 ILE HN . 19055 1 35 . 1 1 8 8 ILE C C 13 178.8283 0.01 . 1 . . . . 255 ILE CO . 19055 1 36 . 1 1 8 8 ILE CA C 13 62.2921 0.01 . 1 . . . . 255 ILE CA . 19055 1 37 . 1 1 8 8 ILE CB C 13 38.3828 0.01 . 1 . . . . 255 ILE CB . 19055 1 38 . 1 1 8 8 ILE N N 15 121.2817 0.01 . 1 . . . . 255 ILE N . 19055 1 39 . 1 1 9 9 GLU H H 1 8.3548 0.01 . 1 . . . . 256 GLU HN . 19055 1 40 . 1 1 9 9 GLU C C 13 178.8297 0.01 . 1 . . . . 256 GLU CO . 19055 1 41 . 1 1 9 9 GLU CA C 13 57.7313 0.01 . 1 . . . . 256 GLU CA . 19055 1 42 . 1 1 9 9 GLU CB C 13 29.8121 0.01 . 1 . . . . 256 GLU CB . 19055 1 43 . 1 1 9 9 GLU N N 15 123.401 0.01 . 1 . . . . 256 GLU N . 19055 1 44 . 1 1 10 10 ALA H H 1 8.2006 0.01 . 1 . . . . 257 ALA HN . 19055 1 45 . 1 1 10 10 ALA C C 13 177.6176 0.01 . 1 . . . . 257 ALA CO . 19055 1 46 . 1 1 10 10 ALA CA C 13 53.7234 0.01 . 1 . . . . 257 ALA CA . 19055 1 47 . 1 1 10 10 ALA CB C 13 18.8542 0.01 . 1 . . . . 257 ALA CB . 19055 1 48 . 1 1 10 10 ALA N N 15 123.295 0.01 . 1 . . . . 257 ALA N . 19055 1 49 . 1 1 11 11 ASN H H 1 8.2346 0.01 . 1 . . . . 258 ASN HN . 19055 1 50 . 1 1 11 11 ASN C C 13 180.0878 0.01 . 1 . . . . 258 ASN CO . 19055 1 51 . 1 1 11 11 ASN CA C 13 54.0472 0.01 . 1 . . . . 258 ASN CA . 19055 1 52 . 1 1 11 11 ASN CB C 13 38.6781 0.01 . 1 . . . . 258 ASN CB . 19055 1 53 . 1 1 11 11 ASN N N 15 116.5395 0.01 . 1 . . . . 258 ASN N . 19055 1 54 . 1 1 12 12 LEU H H 1 8.0385 0.01 . 1 . . . . 259 LEU HN . 19055 1 55 . 1 1 12 12 LEU C C 13 177.8788 0.01 . 1 . . . . 259 LEU CO . 19055 1 56 . 1 1 12 12 LEU CA C 13 56.3331 0.01 . 1 . . . . 259 LEU CA . 19055 1 57 . 1 1 12 12 LEU CB C 13 42.0964 0.01 . 1 . . . . 259 LEU CB . 19055 1 58 . 1 1 12 12 LEU N N 15 121.5579 0.01 . 1 . . . . 259 LEU N . 19055 1 59 . 1 1 13 13 LEU H H 1 8.0222 0.01 . 1 . . . . 260 LEU HN . 19055 1 60 . 1 1 13 13 LEU C C 13 178.1834 0.01 . 1 . . . . 260 LEU CO . 19055 1 61 . 1 1 13 13 LEU CA C 13 56.2841 0.01 . 1 . . . . 260 LEU CA . 19055 1 62 . 1 1 13 13 LEU CB C 13 42.0545 0.01 . 1 . . . . 260 LEU CB . 19055 1 63 . 1 1 13 13 LEU N N 15 120.7783 0.01 . 1 . . . . 260 LEU N . 19055 1 64 . 1 1 14 14 TRP H H 1 7.9333 0.01 . 1 . . . . 261 TRP HN . 19055 1 65 . 1 1 14 14 TRP C C 13 179.35 0.01 . 1 . . . . 261 TRP CO . 19055 1 66 . 1 1 14 14 TRP CA C 13 58.0958 0.01 . 1 . . . . 261 TRP CA . 19055 1 67 . 1 1 14 14 TRP CB C 13 29.1906 0.01 . 1 . . . . 261 TRP CB . 19055 1 68 . 1 1 14 14 TRP N N 15 120.1961 0.01 . 1 . . . . 261 TRP N . 19055 1 69 . 1 1 15 15 ARG H H 1 7.8581 0.01 . 1 . . . . 262 ARG HN . 19055 1 70 . 1 1 15 15 ARG C C 13 179.3433 0.01 . 1 . . . . 262 ARG CO . 19055 1 71 . 1 1 15 15 ARG CA C 13 56.7802 0.01 . 1 . . . . 262 ARG CA . 19055 1 72 . 1 1 15 15 ARG CB C 13 30.7479 0.01 . 1 . . . . 262 ARG CB . 19055 1 73 . 1 1 15 15 ARG N N 15 121.0991 0.01 . 1 . . . . 262 ARG N . 19055 1 74 . 1 1 16 16 GLN H H 1 8.18 0.01 . 1 . . . . 263 GLN HN . 19055 1 75 . 1 1 16 16 GLN C C 13 179.3319 0.01 . 1 . . . . 263 GLN CO . 19055 1 76 . 1 1 16 16 GLN CA C 13 56.8346 0.01 . 1 . . . . 263 GLN CA . 19055 1 77 . 1 1 16 16 GLN CB C 13 29.221 0.01 . 1 . . . . 263 GLN CB . 19055 1 78 . 1 1 16 16 GLN N N 15 120.4321 0.01 . 1 . . . . 263 GLN N . 19055 1 79 . 1 1 17 17 GLU H H 1 8.443 0.01 . 1 . . . . 264 GLU HN . 19055 1 80 . 1 1 17 17 GLU C C 13 178.8973 0.01 . 1 . . . . 264 GLU CO . 19055 1 81 . 1 1 17 17 GLU CA C 13 57.0929 0.01 . 1 . . . . 264 GLU CA . 19055 1 82 . 1 1 17 17 GLU CB C 13 29.9365 0.01 . 1 . . . . 264 GLU CB . 19055 1 83 . 1 1 17 17 GLU N N 15 121.2407 0.01 . 1 . . . . 264 GLU N . 19055 1 84 . 1 1 18 18 MET H H 1 8.2888 0.01 . 1 . . . . 265 MET HN . 19055 1 85 . 1 1 18 18 MET C C 13 178.8889 0.01 . 1 . . . . 265 MET CO . 19055 1 86 . 1 1 18 18 MET CA C 13 55.8386 0.01 . 1 . . . . 265 MET CA . 19055 1 87 . 1 1 18 18 MET CB C 13 32.6154 0.01 . 1 . . . . 265 MET CB . 19055 1 88 . 1 1 18 18 MET N N 15 120.1206 0.01 . 1 . . . . 265 MET N . 19055 1 89 . 1 1 19 19 GLY H H 1 8.287 0.01 . 1 . . . . 266 GLY HN . 19055 1 90 . 1 1 19 19 GLY C C 13 181.2771 0.01 . 1 . . . . 266 GLY CO . 19055 1 91 . 1 1 19 19 GLY CA C 13 45.623 0.01 . 1 . . . . 266 GLY CA . 19055 1 92 . 1 1 19 19 GLY N N 15 109.1996 0.01 . 1 . . . . 266 GLY N . 19055 1 93 . 1 1 20 20 GLY H H 1 8.252 0.01 . 1 . . . . 267 GLY HN . 19055 1 94 . 1 1 20 20 GLY C C 13 182.009 0.01 . 1 . . . . 267 GLY CO . 19055 1 95 . 1 1 20 20 GLY CA C 13 45.3625 0.01 . 1 . . . . 267 GLY CA . 19055 1 96 . 1 1 20 20 GLY N N 15 108.2887 0.01 . 1 . . . . 267 GLY N . 19055 1 97 . 1 1 21 21 ASN H H 1 8.3622 0.01 . 1 . . . . 268 ASN HN . 19055 1 98 . 1 1 21 21 ASN C C 13 180.812 0.01 . 1 . . . . 268 ASN CO . 19055 1 99 . 1 1 21 21 ASN CA C 13 53.3971 0.01 . 1 . . . . 268 ASN CA . 19055 1 100 . 1 1 21 21 ASN CB C 13 38.9054 0.01 . 1 . . . . 268 ASN CB . 19055 1 101 . 1 1 21 21 ASN N N 15 118.6833 0.01 . 1 . . . . 268 ASN N . 19055 1 102 . 1 1 22 22 ILE H H 1 8.1173 0.01 . 1 . . . . 269 ILE HN . 19055 1 103 . 1 1 22 22 ILE C C 13 179.6206 0.01 . 1 . . . . 269 ILE CO . 19055 1 104 . 1 1 22 22 ILE CA C 13 61.3151 0.01 . 1 . . . . 269 ILE CA . 19055 1 105 . 1 1 22 22 ILE CB C 13 39.0036 0.01 . 1 . . . . 269 ILE CB . 19055 1 106 . 1 1 22 22 ILE N N 15 120.7854 0.01 . 1 . . . . 269 ILE N . 19055 1 107 . 1 1 23 23 THR H H 1 8.3046 0.01 . 1 . . . . 270 THR HN . 19055 1 108 . 1 1 23 23 THR C C 13 181.7613 0.01 . 1 . . . . 270 THR CO . 19055 1 109 . 1 1 23 23 THR CA C 13 62.1145 0.01 . 1 . . . . 270 THR CA . 19055 1 110 . 1 1 23 23 THR CB C 13 69.8986 0.01 . 1 . . . . 270 THR CB . 19055 1 111 . 1 1 23 23 THR N N 15 118.8782 0.01 . 1 . . . . 270 THR N . 19055 1 112 . 1 1 24 24 ARG H H 1 8.3776 0.01 . 1 . . . . 271 ARG HN . 19055 1 113 . 1 1 24 24 ARG C C 13 179.9533 0.01 . 1 . . . . 271 ARG CO . 19055 1 114 . 1 1 24 24 ARG CA C 13 56.0322 0.01 . 1 . . . . 271 ARG CA . 19055 1 115 . 1 1 24 24 ARG CB C 13 31.0019 0.01 . 1 . . . . 271 ARG CB . 19055 1 116 . 1 1 24 24 ARG N N 15 124.3842 0.01 . 1 . . . . 271 ARG N . 19055 1 117 . 1 1 25 25 VAL H H 1 8.2923 0.01 . 1 . . . . 272 VAL HN . 19055 1 118 . 1 1 25 25 VAL C C 13 179.6143 0.01 . 1 . . . . 272 VAL CO . 19055 1 119 . 1 1 25 25 VAL CA C 13 62.5372 0.01 . 1 . . . . 272 VAL CA . 19055 1 120 . 1 1 25 25 VAL CB C 13 32.7242 0.01 . 1 . . . . 272 VAL CB . 19055 1 121 . 1 1 25 25 VAL N N 15 122.345 0.01 . 1 . . . . 272 VAL N . 19055 1 122 . 1 1 26 26 GLU H H 1 8.61 0.01 . 1 . . . . 273 GLU HN . 19055 1 123 . 1 1 26 26 GLU C C 13 179.3111 0.01 . 1 . . . . 273 GLU CO . 19055 1 124 . 1 1 26 26 GLU CA C 13 56.8238 0.01 . 1 . . . . 273 GLU CA . 19055 1 125 . 1 1 26 26 GLU CB C 13 30.2599 0.01 . 1 . . . . 273 GLU CB . 19055 1 126 . 1 1 26 26 GLU N N 15 124.9619 0.01 . 1 . . . . 273 GLU N . 19055 1 127 . 1 1 27 27 SER H H 1 8.3441 0.01 . 1 . . . . 274 SER HN . 19055 1 128 . 1 1 27 27 SER C C 13 181.2985 0.01 . 1 . . . . 274 SER CO . 19055 1 129 . 1 1 27 27 SER CA C 13 58.6679 0.01 . 1 . . . . 274 SER CA . 19055 1 130 . 1 1 27 27 SER CB C 13 63.9276 0.01 . 1 . . . . 274 SER CB . 19055 1 131 . 1 1 27 27 SER N N 15 116.488 0.01 . 1 . . . . 274 SER N . 19055 1 132 . 1 1 28 28 GLU H H 1 8.4742 0.01 . 1 . . . . 275 GLU HN . 19055 1 133 . 1 1 28 28 GLU C C 13 179.7441 0.01 . 1 . . . . 275 GLU CO . 19055 1 134 . 1 1 28 28 GLU CA C 13 56.9589 0.01 . 1 . . . . 275 GLU CA . 19055 1 135 . 1 1 28 28 GLU CB C 13 30.1921 0.01 . 1 . . . . 275 GLU CB . 19055 1 136 . 1 1 28 28 GLU N N 15 122.4562 0.01 . 1 . . . . 275 GLU N . 19055 1 137 . 1 1 29 29 ASN H H 1 8.4192 0.01 . 1 . . . . 276 ASN HN . 19055 1 138 . 1 1 29 29 ASN C C 13 181.1023 0.01 . 1 . . . . 276 ASN CO . 19055 1 139 . 1 1 29 29 ASN CA C 13 53.3702 0.01 . 1 . . . . 276 ASN CA . 19055 1 140 . 1 1 29 29 ASN CB C 13 38.8015 0.01 . 1 . . . . 276 ASN CB . 19055 1 141 . 1 1 29 29 ASN N N 15 119.4324 0.01 . 1 . . . . 276 ASN N . 19055 1 142 . 1 1 30 30 LYS H H 1 8.2168 0.01 . 1 . . . . 277 LYS HN . 19055 1 143 . 1 1 30 30 LYS C C 13 179.7823 0.01 . 1 . . . . 277 LYS CO . 19055 1 144 . 1 1 30 30 LYS CA C 13 56.2677 0.01 . 1 . . . . 277 LYS CA . 19055 1 145 . 1 1 30 30 LYS CB C 13 33.0987 0.01 . 1 . . . . 277 LYS CB . 19055 1 146 . 1 1 30 30 LYS N N 15 121.9168 0.01 . 1 . . . . 277 LYS N . 19055 1 147 . 1 1 31 31 VAL H H 1 8.1729 0.01 . 1 . . . . 278 VAL HN . 19055 1 148 . 1 1 31 31 VAL C C 13 180.1426 0.01 . 1 . . . . 278 VAL CO . 19055 1 149 . 1 1 31 31 VAL CA C 13 62.5253 0.01 . 1 . . . . 278 VAL CA . 19055 1 150 . 1 1 31 31 VAL CB C 13 32.5957 0.01 . 1 . . . . 278 VAL CB . 19055 1 151 . 1 1 31 31 VAL N N 15 122.2704 0.01 . 1 . . . . 278 VAL N . 19055 1 152 . 1 1 32 32 VAL H H 1 8.3066 0.01 . 1 . . . . 279 VAL HN . 19055 1 153 . 1 1 32 32 VAL C C 13 180.4238 0.01 . 1 . . . . 279 VAL CO . 19055 1 154 . 1 1 32 32 VAL CA C 13 62.2222 0.01 . 1 . . . . 279 VAL CA . 19055 1 155 . 1 1 32 32 VAL CB C 13 32.9632 0.01 . 1 . . . . 279 VAL CB . 19055 1 156 . 1 1 32 32 VAL N N 15 125.7005 0.01 . 1 . . . . 279 VAL N . 19055 1 157 . 1 1 33 33 ILE H H 1 8.3573 0.01 . 1 . . . . 280 ILE HN . 19055 1 158 . 1 1 33 33 ILE C C 13 179.9753 0.01 . 1 . . . . 280 ILE CO . 19055 1 159 . 1 1 33 33 ILE CA C 13 60.6736 0.01 . 1 . . . . 280 ILE CA . 19055 1 160 . 1 1 33 33 ILE CB C 13 38.4269 0.01 . 1 . . . . 280 ILE CB . 19055 1 161 . 1 1 33 33 ILE N N 15 126.5333 0.01 . 1 . . . . 280 ILE N . 19055 1 162 . 1 1 34 34 LEU H H 1 8.4103 0.01 . 1 . . . . 281 LEU HN . 19055 1 163 . 1 1 34 34 LEU C C 13 179.1115 0.01 . 1 . . . . 281 LEU CO . 19055 1 164 . 1 1 34 34 LEU CA C 13 54.9345 0.01 . 1 . . . . 281 LEU CA . 19055 1 165 . 1 1 34 34 LEU CB C 13 42.5982 0.01 . 1 . . . . 281 LEU CB . 19055 1 166 . 1 1 34 34 LEU N N 15 127.4953 0.01 . 1 . . . . 281 LEU N . 19055 1 167 . 1 1 35 35 ASP H H 1 8.314 0.01 . 1 . . . . 282 ASP HN . 19055 1 168 . 1 1 35 35 ASP C C 13 179.9847 0.01 . 1 . . . . 282 ASP CO . 19055 1 169 . 1 1 35 35 ASP CA C 13 54.3725 0.01 . 1 . . . . 282 ASP CA . 19055 1 170 . 1 1 35 35 ASP CB C 13 41.3664 0.01 . 1 . . . . 282 ASP CB . 19055 1 171 . 1 1 35 35 ASP N N 15 121.4031 0.01 . 1 . . . . 282 ASP N . 19055 1 172 . 1 1 36 36 SER H H 1 8.1028 0.01 . 1 . . . . 283 SER HN . 19055 1 173 . 1 1 36 36 SER C C 13 181.9719 0.01 . 1 . . . . 283 SER CO . 19055 1 174 . 1 1 36 36 SER CA C 13 58.1417 0.01 . 1 . . . . 283 SER CA . 19055 1 175 . 1 1 36 36 SER CB C 13 63.9147 0.01 . 1 . . . . 283 SER CB . 19055 1 176 . 1 1 36 36 SER N N 15 115.2898 0.01 . 1 . . . . 283 SER N . 19055 1 177 . 1 1 37 37 PHE H H 1 8.2663 0.01 . 1 . . . . 284 PHE HN . 19055 1 178 . 1 1 37 37 PHE C C 13 180.7781 0.01 . 1 . . . . 284 PHE CO . 19055 1 179 . 1 1 37 37 PHE CA C 13 57.6766 0.01 . 1 . . . . 284 PHE CA . 19055 1 180 . 1 1 37 37 PHE CB C 13 39.7225 0.01 . 1 . . . . 284 PHE CB . 19055 1 181 . 1 1 37 37 PHE N N 15 122.0794 0.01 . 1 . . . . 284 PHE N . 19055 1 182 . 1 1 38 38 GLU H H 1 8.1901 0.01 . 1 . . . . 285 GLU HN . 19055 1 183 . 1 1 38 38 GLU C C 13 181.964 0.01 . 1 . . . . 285 GLU CO . 19055 1 184 . 1 1 38 38 GLU CA C 13 54.0741 0.01 . 1 . . . . 285 GLU CA . 19055 1 185 . 1 1 38 38 GLU CB C 13 30.0677 0.01 . 1 . . . . 285 GLU CB . 19055 1 186 . 1 1 38 38 GLU N N 15 124.2373 0.01 . 1 . . . . 285 GLU N . 19055 1 187 . 1 1 39 39 PRO C C 13 179.08 0.01 . 1 . . . . 286 PRO CO . 19055 1 188 . 1 1 39 39 PRO CA C 13 63.1365 0.01 . 1 . . . . 286 PRO CA . 19055 1 189 . 1 1 39 39 PRO CB C 13 32.0585 0.01 . 1 . . . . 286 PRO CB . 19055 1 190 . 1 1 40 40 LEU H H 1 8.3645 0.01 . 1 . . . . 287 LEU HN . 19055 1 191 . 1 1 40 40 LEU C C 13 178.5074 0.01 . 1 . . . . 287 LEU CO . 19055 1 192 . 1 1 40 40 LEU CA C 13 55.3416 0.01 . 1 . . . . 287 LEU CA . 19055 1 193 . 1 1 40 40 LEU CB C 13 42.3827 0.01 . 1 . . . . 287 LEU CB . 19055 1 194 . 1 1 40 40 LEU N N 15 122.2044 0.01 . 1 . . . . 287 LEU N . 19055 1 195 . 1 1 41 41 GLN H H 1 8.3768 0.01 . 1 . . . . 288 GLN HN . 19055 1 196 . 1 1 41 41 GLN C C 13 180.4457 0.01 . 1 . . . . 288 GLN CO . 19055 1 197 . 1 1 41 41 GLN CA C 13 55.6892 0.01 . 1 . . . . 288 GLN CA . 19055 1 198 . 1 1 41 41 GLN CB C 13 29.5658 0.01 . 1 . . . . 288 GLN CB . 19055 1 199 . 1 1 41 41 GLN N N 15 121.5271 0.01 . 1 . . . . 288 GLN N . 19055 1 200 . 1 1 42 42 ALA H H 1 8.3975 0.01 . 1 . . . . 289 ALA HN . 19055 1 201 . 1 1 42 42 ALA C C 13 178.1956 0.01 . 1 . . . . 289 ALA CO . 19055 1 202 . 1 1 42 42 ALA CA C 13 52.5555 0.01 . 1 . . . . 289 ALA CA . 19055 1 203 . 1 1 42 42 ALA CB C 13 19.4785 0.01 . 1 . . . . 289 ALA CB . 19055 1 204 . 1 1 42 42 ALA N N 15 125.7079 0.01 . 1 . . . . 289 ALA N . 19055 1 205 . 1 1 43 43 GLU H H 1 8.4735 0.01 . 1 . . . . 290 GLU HN . 19055 1 206 . 1 1 43 43 GLU C C 13 179.172 0.01 . 1 . . . . 290 GLU CO . 19055 1 207 . 1 1 43 43 GLU CA C 13 56.8313 0.01 . 1 . . . . 290 GLU CA . 19055 1 208 . 1 1 43 43 GLU CB C 13 30.2859 0.01 . 1 . . . . 290 GLU CB . 19055 1 209 . 1 1 43 43 GLU N N 15 120.3589 0.01 . 1 . . . . 290 GLU N . 19055 1 210 . 1 1 44 44 GLU H H 1 8.4815 0.01 . 1 . . . . 291 GLU HN . 19055 1 211 . 1 1 44 44 GLU C C 13 179.6694 0.01 . 1 . . . . 291 GLU CO . 19055 1 212 . 1 1 44 44 GLU CA C 13 56.8514 0.01 . 1 . . . . 291 GLU CA . 19055 1 213 . 1 1 44 44 GLU CB C 13 30.3441 0.01 . 1 . . . . 291 GLU CB . 19055 1 214 . 1 1 44 44 GLU N N 15 121.3792 0.01 . 1 . . . . 291 GLU N . 19055 1 215 . 1 1 45 45 ASP H H 1 8.3648 0.01 . 1 . . . . 292 ASP HN . 19055 1 216 . 1 1 45 45 ASP C C 13 179.6341 0.01 . 1 . . . . 292 ASP CO . 19055 1 217 . 1 1 45 45 ASP CA C 13 54.4878 0.01 . 1 . . . . 292 ASP CA . 19055 1 218 . 1 1 45 45 ASP CB C 13 41.3845 0.01 . 1 . . . . 292 ASP CB . 19055 1 219 . 1 1 45 45 ASP N N 15 121.3024 0.01 . 1 . . . . 292 ASP N . 19055 1 220 . 1 1 46 46 GLU H H 1 8.4211 0.01 . 1 . . . . 293 GLU HN . 19055 1 221 . 1 1 46 46 GLU C C 13 179.2647 0.01 . 1 . . . . 293 GLU CO . 19055 1 222 . 1 1 46 46 GLU CA C 13 56.9301 0.01 . 1 . . . . 293 GLU CA . 19055 1 223 . 1 1 46 46 GLU CB C 13 30.0012 0.01 . 1 . . . . 293 GLU CB . 19055 1 224 . 1 1 46 46 GLU N N 15 121.7905 0.01 . 1 . . . . 293 GLU N . 19055 1 225 . 1 1 47 47 ARG H H 1 8.2746 0.01 . 1 . . . . 294 ARG HN . 19055 1 226 . 1 1 47 47 ARG C C 13 179.4051 0.01 . 1 . . . . 294 ARG CO . 19055 1 227 . 1 1 47 47 ARG CA C 13 56.5768 0.01 . 1 . . . . 294 ARG CA . 19055 1 228 . 1 1 47 47 ARG CB C 13 30.903 0.01 . 1 . . . . 294 ARG CB . 19055 1 229 . 1 1 47 47 ARG N N 15 121.2039 0.01 . 1 . . . . 294 ARG N . 19055 1 230 . 1 1 48 48 GLU H H 1 8.3646 0.01 . 1 . . . . 295 GLU HN . 19055 1 231 . 1 1 48 48 GLU C C 13 179.5394 0.01 . 1 . . . . 295 GLU CO . 19055 1 232 . 1 1 48 48 GLU CA C 13 56.6473 0.01 . 1 . . . . 295 GLU CA . 19055 1 233 . 1 1 48 48 GLU CB C 13 30.1712 0.01 . 1 . . . . 295 GLU CB . 19055 1 234 . 1 1 48 48 GLU N N 15 121.1831 0.01 . 1 . . . . 295 GLU N . 19055 1 235 . 1 1 49 49 VAL H H 1 8.1171 0.01 . 1 . . . . 296 VAL HN . 19055 1 236 . 1 1 49 49 VAL C C 13 179.8548 0.01 . 1 . . . . 296 VAL CO . 19055 1 237 . 1 1 49 49 VAL CA C 13 62.3845 0.01 . 1 . . . . 296 VAL CA . 19055 1 238 . 1 1 49 49 VAL CB C 13 32.7844 0.01 . 1 . . . . 296 VAL CB . 19055 1 239 . 1 1 49 49 VAL N N 15 120.4286 0.01 . 1 . . . . 296 VAL N . 19055 1 240 . 1 1 50 50 SER H H 1 8.3978 0.01 . 1 . . . . 297 SER HN . 19055 1 241 . 1 1 50 50 SER C C 13 181.824 0.01 . 1 . . . . 297 SER CO . 19055 1 242 . 1 1 50 50 SER CA C 13 58.2492 0.01 . 1 . . . . 297 SER CA . 19055 1 243 . 1 1 50 50 SER CB C 13 63.8981 0.01 . 1 . . . . 297 SER CB . 19055 1 244 . 1 1 50 50 SER N N 15 119.2911 0.01 . 1 . . . . 297 SER N . 19055 1 245 . 1 1 51 51 VAL H H 1 8.1177 0.01 . 1 . . . . 298 VAL HN . 19055 1 246 . 1 1 51 51 VAL C C 13 181.4649 0.01 . 1 . . . . 298 VAL CO . 19055 1 247 . 1 1 51 51 VAL CA C 13 60.6206 0.01 . 1 . . . . 298 VAL CA . 19055 1 248 . 1 1 51 51 VAL CB C 13 32.5113 0.01 . 1 . . . . 298 VAL CB . 19055 1 249 . 1 1 51 51 VAL N N 15 123.1722 0.01 . 1 . . . . 298 VAL N . 19055 1 250 . 1 1 52 52 PRO C C 13 178.5053 0.01 . 1 . . . . 299 PRO CO . 19055 1 251 . 1 1 52 52 PRO CA C 13 64.033 0.01 . 1 . . . . 299 PRO CA . 19055 1 252 . 1 1 52 52 PRO CB C 13 32.1474 0.01 . 1 . . . . 299 PRO CB . 19055 1 253 . 1 1 53 53 ALA H H 1 8.4476 0.01 . 1 . . . . 300 ALA HN . 19055 1 254 . 1 1 53 53 ALA C C 13 176.9239 0.01 . 1 . . . . 300 ALA CO . 19055 1 255 . 1 1 53 53 ALA CA C 13 54.2134 0.01 . 1 . . . . 300 ALA CA . 19055 1 256 . 1 1 53 53 ALA CB C 13 18.9002 0.01 . 1 . . . . 300 ALA CB . 19055 1 257 . 1 1 53 53 ALA N N 15 123.4285 0.01 . 1 . . . . 300 ALA N . 19055 1 258 . 1 1 54 54 GLU H H 1 8.5275 0.01 . 1 . . . . 301 GLU HN . 19055 1 259 . 1 1 54 54 GLU C C 13 178.3132 0.01 . 1 . . . . 301 GLU CO . 19055 1 260 . 1 1 54 54 GLU CA C 13 58.0524 0.01 . 1 . . . . 301 GLU CA . 19055 1 261 . 1 1 54 54 GLU CB C 13 29.6393 0.01 . 1 . . . . 301 GLU CB . 19055 1 262 . 1 1 54 54 GLU N N 15 118.1806 0.01 . 1 . . . . 301 GLU N . 19055 1 263 . 1 1 55 55 ILE H H 1 7.7913 0.01 . 1 . . . . 302 ILE HN . 19055 1 264 . 1 1 55 55 ILE C C 13 178.3225 0.01 . 1 . . . . 302 ILE CO . 19055 1 265 . 1 1 55 55 ILE CA C 13 62.7346 0.01 . 1 . . . . 302 ILE CA . 19055 1 266 . 1 1 55 55 ILE CB C 13 37.9177 0.01 . 1 . . . . 302 ILE CB . 19055 1 267 . 1 1 55 55 ILE N N 15 120.0273 0.01 . 1 . . . . 302 ILE N . 19055 1 268 . 1 1 56 56 LEU H H 1 7.9294 0.01 . 1 . . . . 303 LEU HN . 19055 1 269 . 1 1 56 56 LEU C C 13 177.6214 0.01 . 1 . . . . 303 LEU CO . 19055 1 270 . 1 1 56 56 LEU CA C 13 56.4967 0.01 . 1 . . . . 303 LEU CA . 19055 1 271 . 1 1 56 56 LEU CB C 13 42.0402 0.01 . 1 . . . . 303 LEU CB . 19055 1 272 . 1 1 56 56 LEU N N 15 122.8832 0.01 . 1 . . . . 303 LEU N . 19055 1 273 . 1 1 57 57 ARG H H 1 8.1036 0.01 . 1 . . . . 304 ARG HN . 19055 1 274 . 1 1 57 57 ARG C C 13 178.721 0.01 . 1 . . . . 304 ARG CO . 19055 1 275 . 1 1 57 57 ARG CA C 13 57.6141 0.01 . 1 . . . . 304 ARG CA . 19055 1 276 . 1 1 57 57 ARG CB C 13 30.5125 0.01 . 1 . . . . 304 ARG CB . 19055 1 277 . 1 1 57 57 ARG N N 15 119.6764 0.01 . 1 . . . . 304 ARG N . 19055 1 278 . 1 1 58 58 ARG H H 1 8.0577 0.01 . 1 . . . . 305 ARG HN . 19055 1 279 . 1 1 58 58 ARG C C 13 179.1375 0.01 . 1 . . . . 305 ARG CO . 19055 1 280 . 1 1 58 58 ARG CA C 13 57.1717 0.01 . 1 . . . . 305 ARG CA . 19055 1 281 . 1 1 58 58 ARG CB C 13 30.7577 0.01 . 1 . . . . 305 ARG CB . 19055 1 282 . 1 1 58 58 ARG N N 15 119.8463 0.01 . 1 . . . . 305 ARG N . 19055 1 283 . 1 1 59 59 SER H H 1 8.1522 0.01 . 1 . . . . 306 SER HN . 19055 1 284 . 1 1 59 59 SER C C 13 181.2878 0.01 . 1 . . . . 306 SER CO . 19055 1 285 . 1 1 59 59 SER CA C 13 59.0042 0.01 . 1 . . . . 306 SER CA . 19055 1 286 . 1 1 59 59 SER CB C 13 63.9459 0.01 . 1 . . . . 306 SER CB . 19055 1 287 . 1 1 59 59 SER N N 15 115.6137 0.01 . 1 . . . . 306 SER N . 19055 1 288 . 1 1 60 60 ARG H H 1 8.1548 0.01 . 1 . . . . 307 ARG HN . 19055 1 289 . 1 1 60 60 ARG C C 13 179.9737 0.01 . 1 . . . . 307 ARG CO . 19055 1 290 . 1 1 60 60 ARG CA C 13 56.3754 0.01 . 1 . . . . 307 ARG CA . 19055 1 291 . 1 1 60 60 ARG CB C 13 30.6531 0.01 . 1 . . . . 307 ARG CB . 19055 1 292 . 1 1 60 60 ARG N N 15 122.1011 0.01 . 1 . . . . 307 ARG N . 19055 1 293 . 1 1 61 61 LYS H H 1 8.1014 0.01 . 1 . . . . 308 LYS HN . 19055 1 294 . 1 1 61 61 LYS C C 13 180.0846 0.01 . 1 . . . . 308 LYS CO . 19055 1 295 . 1 1 61 61 LYS CA C 13 55.74 0.01 . 1 . . . . 308 LYS CA . 19055 1 296 . 1 1 61 61 LYS CB C 13 33.1225 0.01 . 1 . . . . 308 LYS CB . 19055 1 297 . 1 1 61 61 LYS N N 15 121.1969 0.01 . 1 . . . . 308 LYS N . 19055 1 298 . 1 1 62 62 PHE H H 1 8.1313 0.01 . 1 . . . . 309 PHE HN . 19055 1 299 . 1 1 62 62 PHE C C 13 182.1795 0.01 . 1 . . . . 309 PHE CO . 19055 1 300 . 1 1 62 62 PHE CA C 13 55.4845 0.01 . 1 . . . . 309 PHE CA . 19055 1 301 . 1 1 62 62 PHE CB C 13 39.1529 0.01 . 1 . . . . 309 PHE CB . 19055 1 302 . 1 1 62 62 PHE N N 15 121.0833 0.01 . 1 . . . . 309 PHE N . 19055 1 303 . 1 1 63 63 PRO C C 13 179.218 0.01 . 1 . . . . 310 PRO CO . 19055 1 304 . 1 1 63 63 PRO CA C 13 63.3071 0.01 . 1 . . . . 310 PRO CA . 19055 1 305 . 1 1 63 63 PRO CB C 13 32.0504 0.01 . 1 . . . . 310 PRO CB . 19055 1 306 . 1 1 64 64 ARG H H 1 8.3641 0.01 . 1 . . . . 311 ARG HN . 19055 1 307 . 1 1 64 64 ARG C C 13 180.0311 0.01 . 1 . . . . 311 ARG CO . 19055 1 308 . 1 1 64 64 ARG CA C 13 56.1946 0.01 . 1 . . . . 311 ARG CA . 19055 1 309 . 1 1 64 64 ARG CB C 13 30.9571 0.01 . 1 . . . . 311 ARG CB . 19055 1 310 . 1 1 64 64 ARG N N 15 121.0565 0.01 . 1 . . . . 311 ARG N . 19055 1 311 . 1 1 65 65 ALA H H 1 8.2983 0.01 . 1 . . . . 312 ALA HN . 19055 1 312 . 1 1 65 65 ALA C C 13 178.8044 0.01 . 1 . . . . 312 ALA CO . 19055 1 313 . 1 1 65 65 ALA CA C 13 52.2125 0.01 . 1 . . . . 312 ALA CA . 19055 1 314 . 1 1 65 65 ALA CB C 13 19.2947 0.01 . 1 . . . . 312 ALA CB . 19055 1 315 . 1 1 65 65 ALA N N 15 124.4199 0.01 . 1 . . . . 312 ALA N . 19055 1 316 . 1 1 66 66 MET H H 1 8.1832 0.01 . 1 . . . . 313 MET HN . 19055 1 317 . 1 1 66 66 MET C C 13 181.9542 0.01 . 1 . . . . 313 MET CO . 19055 1 318 . 1 1 66 66 MET CA C 13 53.2023 0.01 . 1 . . . . 313 MET CA . 19055 1 319 . 1 1 66 66 MET CB C 13 32.8861 0.01 . 1 . . . . 313 MET CB . 19055 1 320 . 1 1 66 66 MET N N 15 121.0629 0.01 . 1 . . . . 313 MET N . 19055 1 321 . 1 1 67 67 PRO C C 13 178.7706 0.01 . 1 . . . . 314 PRO CO . 19055 1 322 . 1 1 67 67 PRO CA C 13 62.7504 0.01 . 1 . . . . 314 PRO CA . 19055 1 323 . 1 1 67 67 PRO CB C 13 31.6376 0.01 . 1 . . . . 314 PRO CB . 19055 1 324 . 1 1 68 68 ILE H H 1 8.2027 0.01 . 1 . . . . 315 ILE HN . 19055 1 325 . 1 1 68 68 ILE C C 13 179.9982 0.01 . 1 . . . . 315 ILE CO . 19055 1 326 . 1 1 68 68 ILE CA C 13 62.5478 0.01 . 1 . . . . 315 ILE CA . 19055 1 327 . 1 1 68 68 ILE CB C 13 38.5091 0.01 . 1 . . . . 315 ILE CB . 19055 1 328 . 1 1 68 68 ILE N N 15 120.1495 0.01 . 1 . . . . 315 ILE N . 19055 1 329 . 1 1 69 69 TRP H H 1 7.3197 0.01 . 1 . . . . 316 TRP HN . 19055 1 330 . 1 1 69 69 TRP C C 13 180.2096 0.01 . 1 . . . . 316 TRP CO . 19055 1 331 . 1 1 69 69 TRP CA C 13 56.2479 0.01 . 1 . . . . 316 TRP CA . 19055 1 332 . 1 1 69 69 TRP CB C 13 29.0917 0.01 . 1 . . . . 316 TRP CB . 19055 1 333 . 1 1 69 69 TRP N N 15 119.7948 0.01 . 1 . . . . 316 TRP N . 19055 1 334 . 1 1 70 70 ALA H H 1 7.626 0.01 . 1 . . . . 317 ALA HN . 19055 1 335 . 1 1 70 70 ALA C C 13 179.241 0.01 . 1 . . . . 317 ALA CO . 19055 1 336 . 1 1 70 70 ALA CA C 13 51.9649 0.01 . 1 . . . . 317 ALA CA . 19055 1 337 . 1 1 70 70 ALA CB C 13 19.408 0.01 . 1 . . . . 317 ALA CB . 19055 1 338 . 1 1 70 70 ALA N N 15 124.7471 0.01 . 1 . . . . 317 ALA N . 19055 1 339 . 1 1 71 71 ARG H H 1 7.8334 0.01 . 1 . . . . 318 ARG HN . 19055 1 340 . 1 1 71 71 ARG C C 13 181.1311 0.01 . 1 . . . . 318 ARG CO . 19055 1 341 . 1 1 71 71 ARG CA C 13 54.1978 0.01 . 1 . . . . 318 ARG CA . 19055 1 342 . 1 1 71 71 ARG CB C 13 30.4577 0.01 . 1 . . . . 318 ARG CB . 19055 1 343 . 1 1 71 71 ARG N N 15 120.5615 0.01 . 1 . . . . 318 ARG N . 19055 1 344 . 1 1 72 72 PRO C C 13 0 0.01 . 1 . . . . 319 PRO CO . 19055 1 345 . 1 1 72 72 PRO CA C 13 0 0.01 . 1 . . . . 319 PRO CA . 19055 1 346 . 1 1 72 72 PRO CB C 13 0 0.01 . 1 . . . . 319 PRO CB . 19055 1 347 . 1 1 73 73 ASP H H 1 8.3304 0.01 . 1 . . . . 320 ASP HN . 19055 1 348 . 1 1 73 73 ASP C C 13 180.3719 0.01 . 1 . . . . 320 ASP CO . 19055 1 349 . 1 1 73 73 ASP CA C 13 53.9821 0.01 . 1 . . . . 320 ASP CA . 19055 1 350 . 1 1 73 73 ASP CB C 13 40.567 0.01 . 1 . . . . 320 ASP CB . 19055 1 351 . 1 1 73 73 ASP N N 15 117.7366 0.01 . 1 . . . . 320 ASP N . 19055 1 352 . 1 1 74 74 TYR H H 1 7.8319 0.01 . 1 . . . . 321 TYR HN . 19055 1 353 . 1 1 74 74 TYR C C 13 181.1169 0.01 . 1 . . . . 321 TYR CO . 19055 1 354 . 1 1 74 74 TYR CA C 13 57.9932 0.01 . 1 . . . . 321 TYR CA . 19055 1 355 . 1 1 74 74 TYR CB C 13 39.0698 0.01 . 1 . . . . 321 TYR CB . 19055 1 356 . 1 1 74 74 TYR N N 15 120.5223 0.01 . 1 . . . . 321 TYR N . 19055 1 357 . 1 1 75 75 ASN H H 1 8.1842 0.01 . 1 . . . . 322 ASN HN . 19055 1 358 . 1 1 75 75 ASN C C 13 181.2395 0.01 . 1 . . . . 322 ASN CO . 19055 1 359 . 1 1 75 75 ASN CA C 13 50.8492 0.01 . 1 . . . . 322 ASN CA . 19055 1 360 . 1 1 75 75 ASN CB C 13 39.3267 0.01 . 1 . . . . 322 ASN CB . 19055 1 361 . 1 1 75 75 ASN N N 15 123.6414 0.01 . 1 . . . . 322 ASN N . 19055 1 362 . 1 1 76 76 PRO C C 13 0 0.01 . 1 . . . . 323 PRO CO . 19055 1 363 . 1 1 76 76 PRO CA C 13 0 0.01 . 1 . . . . 323 PRO CA . 19055 1 364 . 1 1 76 76 PRO CB C 13 0 0.01 . 1 . . . . 323 PRO CB . 19055 1 365 . 1 1 77 77 PRO C C 13 179.2122 0.01 . 1 . . . . 324 PRO CO . 19055 1 366 . 1 1 77 77 PRO CA C 13 62.9972 0.01 . 1 . . . . 324 PRO CA . 19055 1 367 . 1 1 77 77 PRO CB C 13 31.8997 0.01 . 1 . . . . 324 PRO CB . 19055 1 368 . 1 1 78 78 LEU H H 1 8.221 0.01 . 1 . . . . 325 LEU HN . 19055 1 369 . 1 1 78 78 LEU C C 13 178.6589 0.01 . 1 . . . . 325 LEU CO . 19055 1 370 . 1 1 78 78 LEU CA C 13 55.3029 0.01 . 1 . . . . 325 LEU CA . 19055 1 371 . 1 1 78 78 LEU CB C 13 42.3304 0.01 . 1 . . . . 325 LEU CB . 19055 1 372 . 1 1 78 78 LEU N N 15 122.0589 0.01 . 1 . . . . 325 LEU N . 19055 1 373 . 1 1 79 79 LEU H H 1 8.1445 0.01 . 1 . . . . 326 LEU HN . 19055 1 374 . 1 1 79 79 LEU C C 13 178.6258 0.01 . 1 . . . . 326 LEU CO . 19055 1 375 . 1 1 79 79 LEU CA C 13 55.2821 0.01 . 1 . . . . 326 LEU CA . 19055 1 376 . 1 1 79 79 LEU CB C 13 42.4482 0.01 . 1 . . . . 326 LEU CB . 19055 1 377 . 1 1 79 79 LEU N N 15 122.9326 0.01 . 1 . . . . 326 LEU N . 19055 1 378 . 1 1 80 80 GLU H H 1 8.4218 0.01 . 1 . . . . 327 GLU HN . 19055 1 379 . 1 1 80 80 GLU C C 13 179.2101 0.01 . 1 . . . . 327 GLU CO . 19055 1 380 . 1 1 80 80 GLU CA C 13 56.76 0.01 . 1 . . . . 327 GLU CA . 19055 1 381 . 1 1 80 80 GLU CB C 13 29.9164 0.01 . 1 . . . . 327 GLU CB . 19055 1 382 . 1 1 80 80 GLU N N 15 121.4154 0.01 . 1 . . . . 327 GLU N . 19055 1 383 . 1 1 81 81 SER H H 1 8.1791 0.01 . 1 . . . . 328 SER HN . 19055 1 384 . 1 1 81 81 SER C C 13 181.6942 0.01 . 1 . . . . 328 SER CO . 19055 1 385 . 1 1 81 81 SER CA C 13 59.0469 0.01 . 1 . . . . 328 SER CA . 19055 1 386 . 1 1 81 81 SER CB C 13 63.5569 0.01 . 1 . . . . 328 SER CB . 19055 1 387 . 1 1 81 81 SER N N 15 116.3671 0.01 . 1 . . . . 328 SER N . 19055 1 388 . 1 1 82 82 TRP H H 1 7.8509 0.01 . 1 . . . . 329 TRP HN . 19055 1 389 . 1 1 82 82 TRP C C 13 180.1947 0.01 . 1 . . . . 329 TRP CO . 19055 1 390 . 1 1 82 82 TRP CA C 13 57.5576 0.01 . 1 . . . . 329 TRP CA . 19055 1 391 . 1 1 82 82 TRP CB C 13 29.0985 0.01 . 1 . . . . 329 TRP CB . 19055 1 392 . 1 1 82 82 TRP N N 15 121.7455 0.01 . 1 . . . . 329 TRP N . 19055 1 393 . 1 1 83 83 LYS H H 1 7.5721 0.01 . 1 . . . . 330 LYS HN . 19055 1 394 . 1 1 83 83 LYS C C 13 180.6843 0.01 . 1 . . . . 330 LYS CO . 19055 1 395 . 1 1 83 83 LYS CA C 13 55.7817 0.01 . 1 . . . . 330 LYS CA . 19055 1 396 . 1 1 83 83 LYS CB C 13 33.3263 0.01 . 1 . . . . 330 LYS CB . 19055 1 397 . 1 1 83 83 LYS N N 15 122.6474 0.01 . 1 . . . . 330 LYS N . 19055 1 398 . 1 1 84 84 ASP H H 1 7.9696 0.01 . 1 . . . . 331 ASP HN . 19055 1 399 . 1 1 84 84 ASP C C 13 180.6855 0.01 . 1 . . . . 331 ASP CO . 19055 1 400 . 1 1 84 84 ASP CA C 13 52.2655 0.01 . 1 . . . . 331 ASP CA . 19055 1 401 . 1 1 84 84 ASP CB C 13 41.4582 0.01 . 1 . . . . 331 ASP CB . 19055 1 402 . 1 1 84 84 ASP N N 15 122.891 0.01 . 1 . . . . 331 ASP N . 19055 1 403 . 1 1 85 85 PRO C C 13 179.0531 0.01 . 1 . . . . 332 PRO CO . 19055 1 404 . 1 1 85 85 PRO CA C 13 63.9665 0.01 . 1 . . . . 332 PRO CA . 19055 1 405 . 1 1 85 85 PRO CB C 13 32.1647 0.01 . 1 . . . . 332 PRO CB . 19055 1 406 . 1 1 86 86 ASP H H 1 8.3894 0.01 . 1 . . . . 333 ASP HN . 19055 1 407 . 1 1 86 86 ASP C C 13 180.1854 0.01 . 1 . . . . 333 ASP CO . 19055 1 408 . 1 1 86 86 ASP CA C 13 54.3165 0.01 . 1 . . . . 333 ASP CA . 19055 1 409 . 1 1 86 86 ASP CB C 13 41.0635 0.01 . 1 . . . . 333 ASP CB . 19055 1 410 . 1 1 86 86 ASP N N 15 118.2919 0.01 . 1 . . . . 333 ASP N . 19055 1 411 . 1 1 87 87 TYR H H 1 7.747 0.01 . 1 . . . . 334 TYR HN . 19055 1 412 . 1 1 87 87 TYR C C 13 181.1437 0.01 . 1 . . . . 334 TYR CO . 19055 1 413 . 1 1 87 87 TYR CA C 13 58.7442 0.01 . 1 . . . . 334 TYR CA . 19055 1 414 . 1 1 87 87 TYR CB C 13 38.988 0.01 . 1 . . . . 334 TYR CB . 19055 1 415 . 1 1 87 87 TYR N N 15 121.1847 0.01 . 1 . . . . 334 TYR N . 19055 1 416 . 1 1 88 88 VAL H H 1 7.6962 0.01 . 1 . . . . 335 VAL HN . 19055 1 417 . 1 1 88 88 VAL C C 13 183.1667 0.01 . 1 . . . . 335 VAL CO . 19055 1 418 . 1 1 88 88 VAL CA C 13 58.9237 0.01 . 1 . . . . 335 VAL CA . 19055 1 419 . 1 1 88 88 VAL CB C 13 33.4689 0.01 . 1 . . . . 335 VAL CB . 19055 1 420 . 1 1 88 88 VAL N N 15 128.2237 0.01 . 1 . . . . 335 VAL N . 19055 1 421 . 1 1 89 89 PRO C C 13 0 0.01 . 1 . . . . 336 PRO CO . 19055 1 422 . 1 1 89 89 PRO CA C 13 0 0.01 . 1 . . . . 336 PRO CA . 19055 1 423 . 1 1 89 89 PRO CB C 13 0 0.01 . 1 . . . . 336 PRO CB . 19055 1 424 . 1 1 90 90 PRO C C 13 179.16 0.01 . 1 . . . . 337 PRO CO . 19055 1 425 . 1 1 90 90 PRO CA C 13 62.8697 0.01 . 1 . . . . 337 PRO CA . 19055 1 426 . 1 1 90 90 PRO CB C 13 32.0316 0.01 . 1 . . . . 337 PRO CB . 19055 1 427 . 1 1 91 91 VAL H H 1 8.1141 0.01 . 1 . . . . 338 VAL HN . 19055 1 428 . 1 1 91 91 VAL C C 13 179.874 0.01 . 1 . . . . 338 VAL CO . 19055 1 429 . 1 1 91 91 VAL CA C 13 62.4729 0.01 . 1 . . . . 338 VAL CA . 19055 1 430 . 1 1 91 91 VAL CB C 13 32.6577 0.01 . 1 . . . . 338 VAL CB . 19055 1 431 . 1 1 91 91 VAL N N 15 120.438 0.01 . 1 . . . . 338 VAL N . 19055 1 432 . 1 1 92 92 VAL H H 1 8.1651 0.01 . 1 . . . . 339 VAL HN . 19055 1 433 . 1 1 92 92 VAL C C 13 180.1739 0.01 . 1 . . . . 339 VAL CO . 19055 1 434 . 1 1 92 92 VAL CA C 13 62.1577 0.01 . 1 . . . . 339 VAL CA . 19055 1 435 . 1 1 92 92 VAL CB C 13 32.8391 0.01 . 1 . . . . 339 VAL CB . 19055 1 436 . 1 1 92 92 VAL N N 15 124.3566 0.01 . 1 . . . . 339 VAL N . 19055 1 437 . 1 1 93 93 HIS H H 1 8.4276 0.01 . 1 . . . . 340 HIS HN . 19055 1 438 . 1 1 93 93 HIS C C 13 180.1613 0.01 . 1 . . . . 340 HIS CO . 19055 1 439 . 1 1 93 93 HIS CA C 13 56.3037 0.01 . 1 . . . . 340 HIS CA . 19055 1 440 . 1 1 93 93 HIS CB C 13 30.8117 0.01 . 1 . . . . 340 HIS CB . 19055 1 441 . 1 1 93 93 HIS N N 15 123.8125 0.01 . 1 . . . . 340 HIS N . 19055 1 442 . 1 1 94 94 GLY H H 1 8.4699 0.01 . 1 . . . . 341 GLY HN . 19055 1 443 . 1 1 94 94 GLY C C 13 181.8857 0.01 . 1 . . . . 341 GLY CO . 19055 1 444 . 1 1 94 94 GLY CA C 13 45.3699 0.01 . 1 . . . . 341 GLY CA . 19055 1 445 . 1 1 94 94 GLY N N 15 110.054 0.01 . 1 . . . . 341 GLY N . 19055 1 446 . 1 1 95 95 LEU H H 1 8.1862 0.01 . 1 . . . . 342 LEU HN . 19055 1 447 . 1 1 95 95 LEU C C 13 178.5115 0.01 . 1 . . . . 342 LEU CO . 19055 1 448 . 1 1 95 95 LEU CA C 13 55.3864 0.01 . 1 . . . . 342 LEU CA . 19055 1 449 . 1 1 95 95 LEU CB C 13 42.4094 0.01 . 1 . . . . 342 LEU CB . 19055 1 450 . 1 1 95 95 LEU N N 15 121.5331 0.01 . 1 . . . . 342 LEU N . 19055 1 451 . 1 1 96 96 GLN H H 1 8.4287 0.01 . 1 . . . . 343 GLN HN . 19055 1 452 . 1 1 96 96 GLN C C 13 180.2975 0.01 . 1 . . . . 343 GLN CO . 19055 1 453 . 1 1 96 96 GLN CA C 13 55.8778 0.01 . 1 . . . . 343 GLN CA . 19055 1 454 . 1 1 96 96 GLN CB C 13 29.302 0.01 . 1 . . . . 343 GLN CB . 19055 1 455 . 1 1 96 96 GLN N N 15 120.588 0.01 . 1 . . . . 343 GLN N . 19055 1 stop_ save_