data_27839 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27839 _Entry.Title ; Iga1 Protease G5 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-19 _Entry.Accession_date 2019-03-19 _Entry.Last_release_date 2019-03-20 _Entry.Original_release_date 2019-03-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Elan Eisenmesser . Z. . . 27839 2 'Ying-Chih Chi' Chi . . . . 27839 3 Natasia Paukovich . . . . 27839 4 Jasmina Redzic . S. . . 27839 5 Jeremy Rahkola . T. . . 27839 6 Edward Janoff . N. . . 27839 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27839 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 27839 '15N chemical shifts' 78 27839 '1H chemical shifts' 461 27839 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 . . 2020-02-21 2019-03-19 update BMRB 'update entry citation' 27839 1 . . 2019-04-24 2019-03-19 original author 'original release' 27839 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 27839 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31390088 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Streptococcus pneumoniae G5 domains bind different ligands ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 10 _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 1797 _Citation.Page_last 1805 _Citation.Year 2019 _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 Natasia Paukovich N. . . . 27839 1 2 Jasmina Redzic J. S. . . 27839 1 3 Ying-Chih Chi Y. C. . . 27839 1 4 Jeremy Rahkola J. T. . . 27839 1 5 Aaron Issaian A. . . . 27839 1 6 Ashley Blue A. . . . 27839 1 7 Kirk Hansen K. C. . . 27839 1 8 Edward Janoff E. N. . . 27839 1 9 Elan Eisenmesser E. Z. . . 27839 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27839 _Assembly.ID 1 _Assembly.Name 'IgA1 protease G5 monomer' _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 'IgA1 protease G5 monomer' 1 $IgA1P-G5 A . yes native no no . . . 27839 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IgA1P-G5 _Entity.Sf_category entity _Entity.Sf_framecode IgA1P-G5 _Entity.Entry_ID 27839 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IgA1P-G5 _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 ; GSHNKPELLYREETIETKID FQEEIQENPDLAEGTVRVKQ EGKLGKKVEIVRIFSVNKEE VSREIVSTSTTAPSPRIVEK GTKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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 1 310 GLY . 27839 1 2 311 SER . 27839 1 3 312 HIS . 27839 1 4 313 ASN . 27839 1 5 314 LYS . 27839 1 6 315 PRO . 27839 1 7 316 GLU . 27839 1 8 317 LEU . 27839 1 9 318 LEU . 27839 1 10 319 TYR . 27839 1 11 320 ARG . 27839 1 12 321 GLU . 27839 1 13 322 GLU . 27839 1 14 323 THR . 27839 1 15 324 ILE . 27839 1 16 325 GLU . 27839 1 17 326 THR . 27839 1 18 327 LYS . 27839 1 19 328 ILE . 27839 1 20 329 ASP . 27839 1 21 330 PHE . 27839 1 22 331 GLN . 27839 1 23 332 GLU . 27839 1 24 333 GLU . 27839 1 25 334 ILE . 27839 1 26 335 GLN . 27839 1 27 336 GLU . 27839 1 28 337 ASN . 27839 1 29 338 PRO . 27839 1 30 339 ASP . 27839 1 31 340 LEU . 27839 1 32 341 ALA . 27839 1 33 342 GLU . 27839 1 34 343 GLY . 27839 1 35 344 THR . 27839 1 36 345 VAL . 27839 1 37 346 ARG . 27839 1 38 347 VAL . 27839 1 39 348 LYS . 27839 1 40 349 GLN . 27839 1 41 350 GLU . 27839 1 42 351 GLY . 27839 1 43 352 LYS . 27839 1 44 353 LEU . 27839 1 45 354 GLY . 27839 1 46 355 LYS . 27839 1 47 356 LYS . 27839 1 48 357 VAL . 27839 1 49 358 GLU . 27839 1 50 359 ILE . 27839 1 51 360 VAL . 27839 1 52 361 ARG . 27839 1 53 362 ILE . 27839 1 54 363 PHE . 27839 1 55 364 SER . 27839 1 56 365 VAL . 27839 1 57 366 ASN . 27839 1 58 367 LYS . 27839 1 59 368 GLU . 27839 1 60 369 GLU . 27839 1 61 370 VAL . 27839 1 62 371 SER . 27839 1 63 372 ARG . 27839 1 64 373 GLU . 27839 1 65 374 ILE . 27839 1 66 375 VAL . 27839 1 67 376 SER . 27839 1 68 377 THR . 27839 1 69 378 SER . 27839 1 70 379 THR . 27839 1 71 380 THR . 27839 1 72 381 ALA . 27839 1 73 382 PRO . 27839 1 74 383 SER . 27839 1 75 384 PRO . 27839 1 76 385 ARG . 27839 1 77 386 ILE . 27839 1 78 387 VAL . 27839 1 79 388 GLU . 27839 1 80 389 LYS . 27839 1 81 390 GLY . 27839 1 82 391 THR . 27839 1 83 392 LYS . 27839 1 84 393 LYS . 27839 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27839 1 . SER 2 2 27839 1 . HIS 3 3 27839 1 . ASN 4 4 27839 1 . LYS 5 5 27839 1 . PRO 6 6 27839 1 . GLU 7 7 27839 1 . LEU 8 8 27839 1 . LEU 9 9 27839 1 . TYR 10 10 27839 1 . ARG 11 11 27839 1 . GLU 12 12 27839 1 . GLU 13 13 27839 1 . THR 14 14 27839 1 . ILE 15 15 27839 1 . GLU 16 16 27839 1 . THR 17 17 27839 1 . LYS 18 18 27839 1 . ILE 19 19 27839 1 . ASP 20 20 27839 1 . PHE 21 21 27839 1 . GLN 22 22 27839 1 . GLU 23 23 27839 1 . GLU 24 24 27839 1 . ILE 25 25 27839 1 . GLN 26 26 27839 1 . GLU 27 27 27839 1 . ASN 28 28 27839 1 . PRO 29 29 27839 1 . ASP 30 30 27839 1 . LEU 31 31 27839 1 . ALA 32 32 27839 1 . GLU 33 33 27839 1 . GLY 34 34 27839 1 . THR 35 35 27839 1 . VAL 36 36 27839 1 . ARG 37 37 27839 1 . VAL 38 38 27839 1 . LYS 39 39 27839 1 . GLN 40 40 27839 1 . GLU 41 41 27839 1 . GLY 42 42 27839 1 . LYS 43 43 27839 1 . LEU 44 44 27839 1 . GLY 45 45 27839 1 . LYS 46 46 27839 1 . LYS 47 47 27839 1 . VAL 48 48 27839 1 . GLU 49 49 27839 1 . ILE 50 50 27839 1 . VAL 51 51 27839 1 . ARG 52 52 27839 1 . ILE 53 53 27839 1 . PHE 54 54 27839 1 . SER 55 55 27839 1 . VAL 56 56 27839 1 . ASN 57 57 27839 1 . LYS 58 58 27839 1 . GLU 59 59 27839 1 . GLU 60 60 27839 1 . VAL 61 61 27839 1 . SER 62 62 27839 1 . ARG 63 63 27839 1 . GLU 64 64 27839 1 . ILE 65 65 27839 1 . VAL 66 66 27839 1 . SER 67 67 27839 1 . THR 68 68 27839 1 . SER 69 69 27839 1 . THR 70 70 27839 1 . THR 71 71 27839 1 . ALA 72 72 27839 1 . PRO 73 73 27839 1 . SER 74 74 27839 1 . PRO 75 75 27839 1 . ARG 76 76 27839 1 . ILE 77 77 27839 1 . VAL 78 78 27839 1 . GLU 79 79 27839 1 . LYS 80 80 27839 1 . GLY 81 81 27839 1 . THR 82 82 27839 1 . LYS 83 83 27839 1 . LYS 84 84 27839 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 27839 _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 $IgA1P-G5 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27839 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 27839 _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 $IgA1P-G5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pj401 . . . 27839 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27839 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 IgA1P-G5 '[U-13C; U-15N; U-2H]' . . 1 $IgA1P-G5 . . 0.5 . . mM . . . . 27839 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 27839 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 27839 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 27839 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '50 mM MES, pH 6.5, 150 mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27839 1 pH 6.5 . pH 27839 1 pressure 1 . atm 27839 1 temperature 25 . K 27839 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27839 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27839 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27839 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 27839 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27839 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27839 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian DRX . 900 . . . 27839 1 2 spectrometer_2 Varian INOVA . 600 . . . 27839 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 27839 _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 . . . . . . . . . . . . . . . . . . . . . 27839 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 27839 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 glucose 'methyl carbons' . . . . ppm 4.78 internal indirect 1.0 . . . . . 27839 1 H 1 water protons . . . . ppm 4.78 internal indirect 1.0 . . . . . 27839 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 4.78 internal indirect 1.0 . . . . . 27839 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 27839 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27839 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER HA H 1 4.473 0.000 . 1 . . . . . 311 S HA . 27839 1 2 . 1 . 1 2 2 SER HB2 H 1 3.830 0.000 . 1 . . . . . 311 S QB . 27839 1 3 . 1 . 1 2 2 SER HB3 H 1 3.830 0.000 . 1 . . . . . 311 S QB . 27839 1 4 . 1 . 1 2 2 SER C C 13 177.039 0.000 . 1 . . . . . 311 S C . 27839 1 5 . 1 . 1 2 2 SER CA C 13 58.429 0.000 . 1 . . . . . 311 S CA . 27839 1 6 . 1 . 1 2 2 SER CB C 13 64.165 0.000 . 1 . . . . . 311 S CB . 27839 1 7 . 1 . 1 4 4 ASN HA H 1 4.683 0.000 . 1 . . . . . 313 N HA . 27839 1 8 . 1 . 1 4 4 ASN HB2 H 1 2.717 0.000 . 1 . . . . . 313 N HB2 . 27839 1 9 . 1 . 1 4 4 ASN HB3 H 1 2.768 0.000 . 1 . . . . . 313 N HB3 . 27839 1 10 . 1 . 1 4 4 ASN C C 13 176.255 0.000 . 1 . . . . . 313 N C . 27839 1 11 . 1 . 1 4 4 ASN CA C 13 53.312 0.000 . 1 . . . . . 313 N CA . 27839 1 12 . 1 . 1 4 4 ASN CB C 13 38.975 0.000 . 1 . . . . . 313 N CB . 27839 1 13 . 1 . 1 5 5 LYS H H 1 8.282 0.000 . 1 . . . . . 314 K HN . 27839 1 14 . 1 . 1 5 5 LYS HB2 H 1 1.832 0.000 . 1 . . . . . 314 K QB . 27839 1 15 . 1 . 1 5 5 LYS HB3 H 1 1.832 0.000 . 1 . . . . . 314 K QB . 27839 1 16 . 1 . 1 5 5 LYS HG2 H 1 1.456 0.000 . 1 . . . . . 314 K QG . 27839 1 17 . 1 . 1 5 5 LYS HG3 H 1 1.456 0.000 . 1 . . . . . 314 K QG . 27839 1 18 . 1 . 1 5 5 LYS C C 13 176.621 0.000 . 1 . . . . . 314 K C . 27839 1 19 . 1 . 1 5 5 LYS CA C 13 54.357 0.000 . 1 . . . . . 314 K CA . 27839 1 20 . 1 . 1 5 5 LYS CB C 13 32.610 0.000 . 1 . . . . . 314 K CB . 27839 1 21 . 1 . 1 5 5 LYS N N 15 122.862 0.000 . 1 . . . . . 314 K N . 27839 1 22 . 1 . 1 6 6 PRO HA H 1 4.467 0.000 . 1 . . . . . 315 P HA . 27839 1 23 . 1 . 1 6 6 PRO HB2 H 1 2.244 0.000 . 1 . . . . . 315 P HB2 . 27839 1 24 . 1 . 1 6 6 PRO HB3 H 1 1.829 0.000 . 1 . . . . . 315 P HB3 . 27839 1 25 . 1 . 1 6 6 PRO HG2 H 1 2.006 0.000 . 1 . . . . . 315 P HG2 . 27839 1 26 . 1 . 1 6 6 PRO HG3 H 1 2.003 0.000 . 1 . . . . . 315 P HG3 . 27839 1 27 . 1 . 1 6 6 PRO HD2 H 1 3.784 0.000 . 1 . . . . . 315 P HD2 . 27839 1 28 . 1 . 1 6 6 PRO HD3 H 1 3.671 0.000 . 1 . . . . . 315 P HD3 . 27839 1 29 . 1 . 1 6 6 PRO C C 13 174.475 0.000 . 1 . . . . . 315 P C . 27839 1 30 . 1 . 1 6 6 PRO CA C 13 63.204 0.000 . 1 . . . . . 315 P CA . 27839 1 31 . 1 . 1 6 6 PRO CB C 13 32.153 0.000 . 1 . . . . . 315 P CB . 27839 1 32 . 1 . 1 6 6 PRO CG C 13 27.250 0.000 . 1 . . . . . 315 P CG . 27839 1 33 . 1 . 1 6 6 PRO CD C 13 50.768 0.000 . 1 . . . . . 315 P CD . 27839 1 34 . 1 . 1 7 7 GLU H H 1 8.492 0.000 . 1 . . . . . 316 E HN . 27839 1 35 . 1 . 1 7 7 GLU HA H 1 4.339 0.000 . 1 . . . . . 316 E HA . 27839 1 36 . 1 . 1 7 7 GLU HB2 H 1 1.975 0.000 . 1 . . . . . 316 E HB2 . 27839 1 37 . 1 . 1 7 7 GLU HB3 H 1 2.036 0.000 . 1 . . . . . 316 E HB3 . 27839 1 38 . 1 . 1 7 7 GLU C C 13 175.513 0.000 . 1 . . . . . 316 E C . 27839 1 39 . 1 . 1 7 7 GLU CA C 13 56.217 0.000 . 1 . . . . . 316 E CA . 27839 1 40 . 1 . 1 7 7 GLU CB C 13 30.602 0.000 . 1 . . . . . 316 E CB . 27839 1 41 . 1 . 1 7 7 GLU CG C 13 36.313 0.000 . 1 . . . . . 316 E CG . 27839 1 42 . 1 . 1 7 7 GLU N N 15 121.548 0.000 . 1 . . . . . 316 E N . 27839 1 43 . 1 . 1 8 8 LEU H H 1 8.275 0.000 . 1 . . . . . 317 L HN . 27839 1 44 . 1 . 1 8 8 LEU HA H 1 4.727 0.000 . 1 . . . . . 317 L HA . 27839 1 45 . 1 . 1 8 8 LEU HB2 H 1 1.689 0.000 . 1 . . . . . 317 L QB . 27839 1 46 . 1 . 1 8 8 LEU HB3 H 1 1.689 0.000 . 1 . . . . . 317 L QB . 27839 1 47 . 1 . 1 8 8 LEU C C 13 174.523 0.000 . 1 . . . . . 317 L C . 27839 1 48 . 1 . 1 8 8 LEU CA C 13 54.876 0.000 . 1 . . . . . 317 L CA . 27839 1 49 . 1 . 1 8 8 LEU CB C 13 42.994 0.000 . 1 . . . . . 317 L CB . 27839 1 50 . 1 . 1 8 8 LEU CG C 13 24.861 0.000 . 1 . . . . . 317 L CG . 27839 1 51 . 1 . 1 8 8 LEU N N 15 125.661 0.000 . 1 . . . . . 317 L N . 27839 1 52 . 1 . 1 9 9 LEU H H 1 8.610 0.000 . 1 . . . . . 318 L HN . 27839 1 53 . 1 . 1 9 9 LEU HA H 1 4.637 0.000 . 1 . . . . . 318 L HA . 27839 1 54 . 1 . 1 9 9 LEU HB2 H 1 1.605 0.000 . 1 . . . . . 318 L QB . 27839 1 55 . 1 . 1 9 9 LEU HB3 H 1 1.605 0.000 . 1 . . . . . 318 L QB . 27839 1 56 . 1 . 1 9 9 LEU HD11 H 1 0.922 0.000 . 1 . . . . . 318 L QD1 . 27839 1 57 . 1 . 1 9 9 LEU HD12 H 1 0.922 0.000 . 1 . . . . . 318 L QD1 . 27839 1 58 . 1 . 1 9 9 LEU HD13 H 1 0.922 0.000 . 1 . . . . . 318 L QD1 . 27839 1 59 . 1 . 1 9 9 LEU HD21 H 1 0.878 0.000 . 1 . . . . . 318 L QD2 . 27839 1 60 . 1 . 1 9 9 LEU HD22 H 1 0.878 0.000 . 1 . . . . . 318 L QD2 . 27839 1 61 . 1 . 1 9 9 LEU HD23 H 1 0.878 0.000 . 1 . . . . . 318 L QD2 . 27839 1 62 . 1 . 1 9 9 LEU C C 13 175.500 0.000 . 1 . . . . . 318 L C . 27839 1 63 . 1 . 1 9 9 LEU CA C 13 54.556 0.000 . 1 . . . . . 318 L CA . 27839 1 64 . 1 . 1 9 9 LEU CB C 13 44.497 0.000 . 1 . . . . . 318 L CB . 27839 1 65 . 1 . 1 9 9 LEU N N 15 125.637 0.000 . 1 . . . . . 318 L N . 27839 1 66 . 1 . 1 10 10 TYR H H 1 7.862 0.000 . 1 . . . . . 319 Y HN . 27839 1 67 . 1 . 1 10 10 TYR HA H 1 5.541 0.000 . 1 . . . . . 319 Y HA . 27839 1 68 . 1 . 1 10 10 TYR HB2 H 1 2.269 0.000 . 1 . . . . . 319 Y QB . 27839 1 69 . 1 . 1 10 10 TYR HB3 H 1 2.269 0.000 . 1 . . . . . 319 Y QB . 27839 1 70 . 1 . 1 10 10 TYR HD1 H 1 6.712 0.000 . 1 . . . . . 319 Y QD . 27839 1 71 . 1 . 1 10 10 TYR HD2 H 1 6.712 0.000 . 1 . . . . . 319 Y QD . 27839 1 72 . 1 . 1 10 10 TYR HE1 H 1 6.695 0.000 . 1 . . . . . 319 Y QE . 27839 1 73 . 1 . 1 10 10 TYR HE2 H 1 6.695 0.000 . 1 . . . . . 319 Y QE . 27839 1 74 . 1 . 1 10 10 TYR C C 13 176.515 0.000 . 1 . . . . . 319 Y C . 27839 1 75 . 1 . 1 10 10 TYR CA C 13 55.718 0.000 . 1 . . . . . 319 Y CA . 27839 1 76 . 1 . 1 10 10 TYR CB C 13 40.942 0.000 . 1 . . . . . 319 Y CB . 27839 1 77 . 1 . 1 10 10 TYR CD2 C 13 133.085 0.000 . 1 . . . . . 319 Y CD2 . 27839 1 78 . 1 . 1 10 10 TYR CE1 C 13 117.813 0.000 . 1 . . . . . 319 Y CE1 . 27839 1 79 . 1 . 1 10 10 TYR N N 15 116.221 0.000 . 1 . . . . . 319 Y N . 27839 1 80 . 1 . 1 11 11 ARG H H 1 8.450 0.000 . 1 . . . . . 320 R HN . 27839 1 81 . 1 . 1 11 11 ARG HA H 1 4.666 0.000 . 1 . . . . . 320 R HA . 27839 1 82 . 1 . 1 11 11 ARG HG2 H 1 1.608 0.000 . 1 . . . . . 320 R QG . 27839 1 83 . 1 . 1 11 11 ARG HG3 H 1 1.608 0.000 . 1 . . . . . 320 R QG . 27839 1 84 . 1 . 1 11 11 ARG C C 13 177.285 0.000 . 1 . . . . . 320 R C . 27839 1 85 . 1 . 1 11 11 ARG CA C 13 54.155 0.000 . 1 . . . . . 320 R CA . 27839 1 86 . 1 . 1 11 11 ARG CB C 13 33.378 0.000 . 1 . . . . . 320 R CB . 27839 1 87 . 1 . 1 11 11 ARG CG C 13 27.150 0.000 . 1 . . . . . 320 R CG . 27839 1 88 . 1 . 1 11 11 ARG N N 15 118.797 0.000 . 1 . . . . . 320 R N . 27839 1 89 . 1 . 1 12 12 GLU H H 1 8.738 0.000 . 1 . . . . . 321 E HN . 27839 1 90 . 1 . 1 12 12 GLU HA H 1 5.641 0.000 . 1 . . . . . 321 E HA . 27839 1 91 . 1 . 1 12 12 GLU HB2 H 1 1.846 0.000 . 1 . . . . . 321 E HB2 . 27839 1 92 . 1 . 1 12 12 GLU HB3 H 1 1.847 0.000 . 1 . . . . . 321 E HB3 . 27839 1 93 . 1 . 1 12 12 GLU HG2 H 1 2.206 0.000 . 1 . . . . . 321 E HG2 . 27839 1 94 . 1 . 1 12 12 GLU HG3 H 1 2.015 0.000 . 1 . . . . . 321 E HG3 . 27839 1 95 . 1 . 1 12 12 GLU C C 13 174.795 0.000 . 1 . . . . . 321 E C . 27839 1 96 . 1 . 1 12 12 GLU CA C 13 54.720 0.000 . 1 . . . . . 321 E CA . 27839 1 97 . 1 . 1 12 12 GLU CB C 13 32.699 0.000 . 1 . . . . . 321 E CB . 27839 1 98 . 1 . 1 12 12 GLU CG C 13 37.756 0.000 . 1 . . . . . 321 E CG . 27839 1 99 . 1 . 1 12 12 GLU N N 15 121.759 0.000 . 1 . . . . . 321 E N . 27839 1 100 . 1 . 1 13 13 GLU H H 1 9.131 0.000 . 1 . . . . . 322 E HN . 27839 1 101 . 1 . 1 13 13 GLU C C 13 176.590 0.000 . 1 . . . . . 322 E C . 27839 1 102 . 1 . 1 13 13 GLU CA C 13 54.807 0.000 . 1 . . . . . 322 E CA . 27839 1 103 . 1 . 1 13 13 GLU CB C 13 33.874 0.000 . 1 . . . . . 322 E CB . 27839 1 104 . 1 . 1 13 13 GLU CG C 13 36.180 0.000 . 1 . . . . . 322 E CG . 27839 1 105 . 1 . 1 13 13 GLU N N 15 123.637 0.000 . 1 . . . . . 322 E N . 27839 1 106 . 1 . 1 14 14 THR H H 1 8.606 0.000 . 1 . . . . . 323 T HN . 27839 1 107 . 1 . 1 14 14 THR HA H 1 5.041 0.000 . 1 . . . . . 323 T HA . 27839 1 108 . 1 . 1 14 14 THR HB H 1 3.974 0.000 . 1 . . . . . 323 T HB . 27839 1 109 . 1 . 1 14 14 THR HG21 H 1 1.059 0.000 . 1 . . . . . 323 T QG2 . 27839 1 110 . 1 . 1 14 14 THR HG22 H 1 1.059 0.000 . 1 . . . . . 323 T QG2 . 27839 1 111 . 1 . 1 14 14 THR HG23 H 1 1.059 0.000 . 1 . . . . . 323 T QG2 . 27839 1 112 . 1 . 1 14 14 THR C C 13 176.500 0.000 . 1 . . . . . 323 T C . 27839 1 113 . 1 . 1 14 14 THR CA C 13 62.084 0.000 . 1 . . . . . 323 T CA . 27839 1 114 . 1 . 1 14 14 THR CB C 13 69.722 0.000 . 1 . . . . . 323 T CB . 27839 1 115 . 1 . 1 14 14 THR CG2 C 13 21.801 0.000 . 1 . . . . . 323 T CG2 . 27839 1 116 . 1 . 1 14 14 THR N N 15 118.587 0.000 . 1 . . . . . 323 T N . 27839 1 117 . 1 . 1 15 15 ILE H H 1 9.599 0.000 . 1 . . . . . 324 I HN . 27839 1 118 . 1 . 1 15 15 ILE HA H 1 4.382 0.000 . 1 . . . . . 324 I HA . 27839 1 119 . 1 . 1 15 15 ILE HB H 1 1.928 0.000 . 1 . . . . . 324 I HB . 27839 1 120 . 1 . 1 15 15 ILE HG12 H 1 1.455 0.000 . 1 . . . . . 324 I HG12 . 27839 1 121 . 1 . 1 15 15 ILE HG13 H 1 1.114 0.000 . 1 . . . . . 324 I HG13 . 27839 1 122 . 1 . 1 15 15 ILE HG21 H 1 0.868 0.000 . 1 . . . . . 324 I QG2 . 27839 1 123 . 1 . 1 15 15 ILE HG22 H 1 0.868 0.000 . 1 . . . . . 324 I QG2 . 27839 1 124 . 1 . 1 15 15 ILE HG23 H 1 0.868 0.000 . 1 . . . . . 324 I QG2 . 27839 1 125 . 1 . 1 15 15 ILE HD11 H 1 0.814 0.000 . 1 . . . . . 324 I QD1 . 27839 1 126 . 1 . 1 15 15 ILE HD12 H 1 0.814 0.000 . 1 . . . . . 324 I QD1 . 27839 1 127 . 1 . 1 15 15 ILE HD13 H 1 0.814 0.000 . 1 . . . . . 324 I QD1 . 27839 1 128 . 1 . 1 15 15 ILE C C 13 175.606 0.000 . 1 . . . . . 324 I C . 27839 1 129 . 1 . 1 15 15 ILE CA C 13 60.612 0.000 . 1 . . . . . 324 I CA . 27839 1 130 . 1 . 1 15 15 ILE CB C 13 39.853 0.000 . 1 . . . . . 324 I CB . 27839 1 131 . 1 . 1 15 15 ILE CG1 C 13 27.238 0.000 . 1 . . . . . 324 I CG1 . 27839 1 132 . 1 . 1 15 15 ILE CG2 C 13 17.463 0.000 . 1 . . . . . 324 I CG2 . 27839 1 133 . 1 . 1 15 15 ILE CD1 C 13 12.994 0.000 . 1 . . . . . 324 I CD1 . 27839 1 134 . 1 . 1 15 15 ILE N N 15 129.186 0.000 . 1 . . . . . 324 I N . 27839 1 135 . 1 . 1 16 16 GLU H H 1 8.995 0.000 . 1 . . . . . 325 E HN . 27839 1 136 . 1 . 1 16 16 GLU HA H 1 5.468 0.000 . 1 . . . . . 325 E HA . 27839 1 137 . 1 . 1 16 16 GLU HB2 H 1 1.930 0.000 . 1 . . . . . 325 E QB . 27839 1 138 . 1 . 1 16 16 GLU HB3 H 1 1.930 0.000 . 1 . . . . . 325 E QB . 27839 1 139 . 1 . 1 16 16 GLU HG2 H 1 2.193 0.000 . 1 . . . . . 325 E HG2 . 27839 1 140 . 1 . 1 16 16 GLU HG3 H 1 2.014 0.000 . 1 . . . . . 325 E HG3 . 27839 1 141 . 1 . 1 16 16 GLU C C 13 175.059 0.000 . 1 . . . . . 325 E C . 27839 1 142 . 1 . 1 16 16 GLU CA C 13 54.676 0.000 . 1 . . . . . 325 E CA . 27839 1 143 . 1 . 1 16 16 GLU CB C 13 32.262 0.000 . 1 . . . . . 325 E CB . 27839 1 144 . 1 . 1 16 16 GLU CG C 13 37.148 0.000 . 1 . . . . . 325 E CG . 27839 1 145 . 1 . 1 16 16 GLU N N 15 129.782 0.000 . 1 . . . . . 325 E N . 27839 1 146 . 1 . 1 17 17 THR H H 1 9.263 0.000 . 1 . . . . . 326 T HN . 27839 1 147 . 1 . 1 17 17 THR HA H 1 4.608 0.000 . 1 . . . . . 326 T HA . 27839 1 148 . 1 . 1 17 17 THR HB H 1 3.976 0.000 . 1 . . . . . 326 T HB . 27839 1 149 . 1 . 1 17 17 THR C C 13 177.337 0.000 . 1 . . . . . 326 T C . 27839 1 150 . 1 . 1 17 17 THR CA C 13 61.059 0.000 . 1 . . . . . 326 T CA . 27839 1 151 . 1 . 1 17 17 THR CB C 13 71.458 0.000 . 1 . . . . . 326 T CB . 27839 1 152 . 1 . 1 17 17 THR N N 15 121.001 0.000 . 1 . . . . . 326 T N . 27839 1 153 . 1 . 1 18 18 LYS H H 1 8.738 0.000 . 1 . . . . . 327 K HN . 27839 1 154 . 1 . 1 18 18 LYS C C 13 175.106 0.000 . 1 . . . . . 327 K C . 27839 1 155 . 1 . 1 18 18 LYS CA C 13 56.396 0.000 . 1 . . . . . 327 K CA . 27839 1 156 . 1 . 1 18 18 LYS CB C 13 33.712 0.000 . 1 . . . . . 327 K CB . 27839 1 157 . 1 . 1 18 18 LYS CG C 13 24.561 0.000 . 1 . . . . . 327 K CG . 27839 1 158 . 1 . 1 18 18 LYS N N 15 125.090 0.000 . 1 . . . . . 327 K N . 27839 1 159 . 1 . 1 19 19 ILE H H 1 7.511 0.000 . 1 . . . . . 328 I HN . 27839 1 160 . 1 . 1 19 19 ILE HA H 1 4.197 0.000 . 1 . . . . . 328 I HA . 27839 1 161 . 1 . 1 19 19 ILE HB H 1 1.135 0.000 . 1 . . . . . 328 I HB . 27839 1 162 . 1 . 1 19 19 ILE HG12 H 1 0.895 0.000 . 1 . . . . . 328 I HG12 . 27839 1 163 . 1 . 1 19 19 ILE HG13 H 1 1.310 0.000 . 1 . . . . . 328 I HG13 . 27839 1 164 . 1 . 1 19 19 ILE HG21 H 1 0.994 0.000 . 1 . . . . . 328 I QG2 . 27839 1 165 . 1 . 1 19 19 ILE HG22 H 1 0.994 0.000 . 1 . . . . . 328 I QG2 . 27839 1 166 . 1 . 1 19 19 ILE HG23 H 1 0.994 0.000 . 1 . . . . . 328 I QG2 . 27839 1 167 . 1 . 1 19 19 ILE HD11 H 1 0.790 0.000 . 1 . . . . . 328 I QD1 . 27839 1 168 . 1 . 1 19 19 ILE HD12 H 1 0.790 0.000 . 1 . . . . . 328 I QD1 . 27839 1 169 . 1 . 1 19 19 ILE HD13 H 1 0.790 0.000 . 1 . . . . . 328 I QD1 . 27839 1 170 . 1 . 1 19 19 ILE C C 13 175.903 0.000 . 1 . . . . . 328 I C . 27839 1 171 . 1 . 1 19 19 ILE CA C 13 60.391 0.000 . 1 . . . . . 328 I CA . 27839 1 172 . 1 . 1 19 19 ILE CB C 13 40.921 0.000 . 1 . . . . . 328 I CB . 27839 1 173 . 1 . 1 19 19 ILE CG1 C 13 26.638 0.000 . 1 . . . . . 328 I CG1 . 27839 1 174 . 1 . 1 19 19 ILE CG2 C 13 17.241 0.000 . 1 . . . . . 328 I CG2 . 27839 1 175 . 1 . 1 19 19 ILE CD1 C 13 13.810 0.000 . 1 . . . . . 328 I CD1 . 27839 1 176 . 1 . 1 19 19 ILE N N 15 122.705 0.000 . 1 . . . . . 328 I N . 27839 1 177 . 1 . 1 20 20 ASP H H 1 8.488 0.000 . 1 . . . . . 329 D HN . 27839 1 178 . 1 . 1 20 20 ASP HA H 1 4.406 0.000 . 1 . . . . . 329 D HA . 27839 1 179 . 1 . 1 20 20 ASP HB2 H 1 2.419 0.000 . 1 . . . . . 329 D HB2 . 27839 1 180 . 1 . 1 20 20 ASP HB3 H 1 2.271 0.000 . 1 . . . . . 329 D HB3 . 27839 1 181 . 1 . 1 20 20 ASP C C 13 175.205 0.000 . 1 . . . . . 329 D C . 27839 1 182 . 1 . 1 20 20 ASP CA C 13 55.671 0.000 . 1 . . . . . 329 D CA . 27839 1 183 . 1 . 1 20 20 ASP CB C 13 41.421 0.000 . 1 . . . . . 329 D CB . 27839 1 184 . 1 . 1 20 20 ASP N N 15 126.631 0.000 . 1 . . . . . 329 D N . 27839 1 185 . 1 . 1 21 21 PHE H H 1 7.080 0.000 . 1 . . . . . 330 F HN . 27839 1 186 . 1 . 1 21 21 PHE HA H 1 4.857 0.000 . 1 . . . . . 330 F HA . 27839 1 187 . 1 . 1 21 21 PHE HB2 H 1 3.441 0.000 . 1 . . . . . 330 F HB2 . 27839 1 188 . 1 . 1 21 21 PHE HB3 H 1 2.958 0.000 . 1 . . . . . 330 F HB3 . 27839 1 189 . 1 . 1 21 21 PHE HD1 H 1 6.975 0.000 . 1 . . . . . 330 F QD . 27839 1 190 . 1 . 1 21 21 PHE HD2 H 1 6.975 0.000 . 1 . . . . . 330 F QD . 27839 1 191 . 1 . 1 21 21 PHE HE1 H 1 7.235 0.000 . 1 . . . . . 330 F QE . 27839 1 192 . 1 . 1 21 21 PHE HE2 H 1 7.235 0.000 . 1 . . . . . 330 F QE . 27839 1 193 . 1 . 1 21 21 PHE C C 13 175.470 0.000 . 1 . . . . . 330 F C . 27839 1 194 . 1 . 1 21 21 PHE CA C 13 54.410 0.000 . 1 . . . . . 330 F CA . 27839 1 195 . 1 . 1 21 21 PHE CB C 13 41.966 0.000 . 1 . . . . . 330 F CB . 27839 1 196 . 1 . 1 21 21 PHE CD2 C 13 132.920 0.000 . 1 . . . . . 330 F CD2 . 27839 1 197 . 1 . 1 21 21 PHE CE1 C 13 131.046 0.000 . 1 . . . . . 330 F CE1 . 27839 1 198 . 1 . 1 21 21 PHE N N 15 114.755 0.000 . 1 . . . . . 330 F N . 27839 1 199 . 1 . 1 22 22 GLN H H 1 8.614 0.000 . 1 . . . . . 331 Q HN . 27839 1 200 . 1 . 1 22 22 GLN HA H 1 4.601 0.000 . 1 . . . . . 331 Q HA . 27839 1 201 . 1 . 1 22 22 GLN HB2 H 1 1.993 0.000 . 1 . . . . . 331 Q HB2 . 27839 1 202 . 1 . 1 22 22 GLN HB3 H 1 2.216 0.000 . 1 . . . . . 331 Q HB3 . 27839 1 203 . 1 . 1 22 22 GLN HG2 H 1 2.409 0.000 . 1 . . . . . 331 Q HG2 . 27839 1 204 . 1 . 1 22 22 GLN HG3 H 1 2.408 0.000 . 1 . . . . . 331 Q HG3 . 27839 1 205 . 1 . 1 22 22 GLN HE21 H 1 6.825 0.000 . 1 . . . . . 331 Q HE21 . 27839 1 206 . 1 . 1 22 22 GLN HE22 H 1 7.595 0.000 . 1 . . . . . 331 Q HE22 . 27839 1 207 . 1 . 1 22 22 GLN C C 13 176.828 0.000 . 1 . . . . . 331 Q C . 27839 1 208 . 1 . 1 22 22 GLN CA C 13 54.243 0.000 . 1 . . . . . 331 Q CA . 27839 1 209 . 1 . 1 22 22 GLN CB C 13 30.922 0.000 . 1 . . . . . 331 Q CB . 27839 1 210 . 1 . 1 22 22 GLN CG C 13 34.108 0.000 . 1 . . . . . 331 Q CG . 27839 1 211 . 1 . 1 22 22 GLN N N 15 119.943 0.000 . 1 . . . . . 331 Q N . 27839 1 212 . 1 . 1 22 22 GLN NE2 N 15 112.945 0.000 . 1 . . . . . 331 Q NE2 . 27839 1 213 . 1 . 1 23 23 GLU H H 1 8.506 0.000 . 1 . . . . . 332 E HN . 27839 1 214 . 1 . 1 23 23 GLU HA H 1 5.392 0.000 . 1 . . . . . 332 E HA . 27839 1 215 . 1 . 1 23 23 GLU HB2 H 1 2.054 0.000 . 1 . . . . . 332 E HB2 . 27839 1 216 . 1 . 1 23 23 GLU HB3 H 1 2.019 0.000 . 1 . . . . . 332 E HB3 . 27839 1 217 . 1 . 1 23 23 GLU HG2 H 1 2.077 0.000 . 1 . . . . . 332 E HG2 . 27839 1 218 . 1 . 1 23 23 GLU HG3 H 1 2.001 0.000 . 1 . . . . . 332 E HG3 . 27839 1 219 . 1 . 1 23 23 GLU C C 13 175.263 0.000 . 1 . . . . . 332 E C . 27839 1 220 . 1 . 1 23 23 GLU CA C 13 55.107 0.000 . 1 . . . . . 332 E CA . 27839 1 221 . 1 . 1 23 23 GLU CB C 13 32.605 0.000 . 1 . . . . . 332 E CB . 27839 1 222 . 1 . 1 23 23 GLU CG C 13 38.104 0.000 . 1 . . . . . 332 E CG . 27839 1 223 . 1 . 1 23 23 GLU N N 15 120.468 0.000 . 1 . . . . . 332 E N . 27839 1 224 . 1 . 1 24 24 GLU H H 1 9.401 0.000 . 1 . . . . . 333 E HN . 27839 1 225 . 1 . 1 24 24 GLU HA H 1 4.646 0.000 . 1 . . . . . 333 E HA . 27839 1 226 . 1 . 1 24 24 GLU HB2 H 1 1.988 0.000 . 1 . . . . . 333 E HB2 . 27839 1 227 . 1 . 1 24 24 GLU HB3 H 1 1.993 0.000 . 1 . . . . . 333 E HB3 . 27839 1 228 . 1 . 1 24 24 GLU HG2 H 1 2.081 0.000 . 1 . . . . . 333 E QG . 27839 1 229 . 1 . 1 24 24 GLU HG3 H 1 2.081 0.000 . 1 . . . . . 333 E QG . 27839 1 230 . 1 . 1 24 24 GLU C C 13 176.628 0.000 . 1 . . . . . 333 E C . 27839 1 231 . 1 . 1 24 24 GLU CA C 13 54.954 0.000 . 1 . . . . . 333 E CA . 27839 1 232 . 1 . 1 24 24 GLU CB C 13 32.749 0.000 . 1 . . . . . 333 E CB . 27839 1 233 . 1 . 1 24 24 GLU CG C 13 35.929 0.000 . 1 . . . . . 333 E CG . 27839 1 234 . 1 . 1 24 24 GLU N N 15 128.052 0.000 . 1 . . . . . 333 E N . 27839 1 235 . 1 . 1 25 25 ILE H H 1 8.593 0.000 . 1 . . . . . 334 I HN . 27839 1 236 . 1 . 1 25 25 ILE HA H 1 4.957 0.000 . 1 . . . . . 334 I HA . 27839 1 237 . 1 . 1 25 25 ILE HB H 1 1.798 0.000 . 1 . . . . . 334 I HB . 27839 1 238 . 1 . 1 25 25 ILE HG12 H 1 1.106 0.000 . 1 . . . . . 334 I HG12 . 27839 1 239 . 1 . 1 25 25 ILE HG13 H 1 1.494 0.000 . 1 . . . . . 334 I HG13 . 27839 1 240 . 1 . 1 25 25 ILE HG21 H 1 0.794 0.000 . 1 . . . . . 334 I QG2 . 27839 1 241 . 1 . 1 25 25 ILE HG22 H 1 0.794 0.000 . 1 . . . . . 334 I QG2 . 27839 1 242 . 1 . 1 25 25 ILE HG23 H 1 0.794 0.000 . 1 . . . . . 334 I QG2 . 27839 1 243 . 1 . 1 25 25 ILE HD11 H 1 0.787 0.000 . 1 . . . . . 334 I QD1 . 27839 1 244 . 1 . 1 25 25 ILE HD12 H 1 0.787 0.000 . 1 . . . . . 334 I QD1 . 27839 1 245 . 1 . 1 25 25 ILE HD13 H 1 0.787 0.000 . 1 . . . . . 334 I QD1 . 27839 1 246 . 1 . 1 25 25 ILE C C 13 174.359 0.000 . 1 . . . . . 334 I C . 27839 1 247 . 1 . 1 25 25 ILE CA C 13 59.596 0.000 . 1 . . . . . 334 I CA . 27839 1 248 . 1 . 1 25 25 ILE CB C 13 38.960 0.000 . 1 . . . . . 334 I CB . 27839 1 249 . 1 . 1 25 25 ILE CG1 C 13 27.697 0.000 . 1 . . . . . 334 I CG1 . 27839 1 250 . 1 . 1 25 25 ILE CG2 C 13 17.753 0.000 . 1 . . . . . 334 I CG2 . 27839 1 251 . 1 . 1 25 25 ILE CD1 C 13 12.640 0.000 . 1 . . . . . 334 I CD1 . 27839 1 252 . 1 . 1 25 25 ILE N N 15 123.717 0.000 . 1 . . . . . 334 I N . 27839 1 253 . 1 . 1 26 26 GLN H H 1 9.243 0.000 . 1 . . . . . 335 Q HN . 27839 1 254 . 1 . 1 26 26 GLN HA H 1 4.708 0.000 . 1 . . . . . 335 Q HA . 27839 1 255 . 1 . 1 26 26 GLN HB2 H 1 2.000 0.000 . 1 . . . . . 335 Q HB2 . 27839 1 256 . 1 . 1 26 26 GLN HB3 H 1 1.816 0.000 . 1 . . . . . 335 Q HB3 . 27839 1 257 . 1 . 1 26 26 GLN HG2 H 1 2.353 0.000 . 1 . . . . . 335 Q HG2 . 27839 1 258 . 1 . 1 26 26 GLN HG3 H 1 2.227 0.000 . 1 . . . . . 335 Q HG3 . 27839 1 259 . 1 . 1 26 26 GLN HE21 H 1 6.778 0.000 . 1 . . . . . 335 Q HE21 . 27839 1 260 . 1 . 1 26 26 GLN HE22 H 1 7.678 0.000 . 1 . . . . . 335 Q HE22 . 27839 1 261 . 1 . 1 26 26 GLN C C 13 175.758 0.000 . 1 . . . . . 335 Q C . 27839 1 262 . 1 . 1 26 26 GLN CA C 13 53.765 0.000 . 1 . . . . . 335 Q CA . 27839 1 263 . 1 . 1 26 26 GLN CB C 13 30.774 0.000 . 1 . . . . . 335 Q CB . 27839 1 264 . 1 . 1 26 26 GLN CG C 13 33.314 0.000 . 1 . . . . . 335 Q CG . 27839 1 265 . 1 . 1 26 26 GLN N N 15 127.901 0.000 . 1 . . . . . 335 Q N . 27839 1 266 . 1 . 1 26 26 GLN NE2 N 15 110.748 0.000 . 1 . . . . . 335 Q NE2 . 27839 1 267 . 1 . 1 27 27 GLU H H 1 8.858 0.000 . 1 . . . . . 336 E HN . 27839 1 268 . 1 . 1 27 27 GLU HA H 1 4.848 0.000 . 1 . . . . . 336 E HA . 27839 1 269 . 1 . 1 27 27 GLU HB2 H 1 1.964 0.000 . 1 . . . . . 336 E HB2 . 27839 1 270 . 1 . 1 27 27 GLU HB3 H 1 1.949 0.000 . 1 . . . . . 336 E HB3 . 27839 1 271 . 1 . 1 27 27 GLU HG2 H 1 2.388 0.000 . 1 . . . . . 336 E QG . 27839 1 272 . 1 . 1 27 27 GLU HG3 H 1 2.388 0.000 . 1 . . . . . 336 E QG . 27839 1 273 . 1 . 1 27 27 GLU C C 13 174.122 0.000 . 1 . . . . . 336 E C . 27839 1 274 . 1 . 1 27 27 GLU CA C 13 56.397 0.000 . 1 . . . . . 336 E CA . 27839 1 275 . 1 . 1 27 27 GLU CB C 13 30.672 0.000 . 1 . . . . . 336 E CB . 27839 1 276 . 1 . 1 27 27 GLU CG C 13 37.149 0.000 . 1 . . . . . 336 E CG . 27839 1 277 . 1 . 1 27 27 GLU N N 15 123.551 0.000 . 1 . . . . . 336 E N . 27839 1 278 . 1 . 1 28 28 ASN H H 1 8.689 0.000 . 1 . . . . . 337 N HN . 27839 1 279 . 1 . 1 28 28 ASN HA H 1 5.333 0.000 . 1 . . . . . 337 N HA . 27839 1 280 . 1 . 1 28 28 ASN HB2 H 1 2.808 0.000 . 1 . . . . . 337 N HB2 . 27839 1 281 . 1 . 1 28 28 ASN HB3 H 1 2.489 0.000 . 1 . . . . . 337 N HB3 . 27839 1 282 . 1 . 1 28 28 ASN HD21 H 1 7.184 0.000 . 1 . . . . . 337 N HD21 . 27839 1 283 . 1 . 1 28 28 ASN HD22 H 1 7.872 0.000 . 1 . . . . . 337 N HD22 . 27839 1 284 . 1 . 1 28 28 ASN C C 13 176.449 0.000 . 1 . . . . . 337 N C . 27839 1 285 . 1 . 1 28 28 ASN CA C 13 49.290 0.000 . 1 . . . . . 337 N CA . 27839 1 286 . 1 . 1 28 28 ASN CB C 13 40.464 0.000 . 1 . . . . . 337 N CB . 27839 1 287 . 1 . 1 28 28 ASN N N 15 120.342 0.000 . 1 . . . . . 337 N N . 27839 1 288 . 1 . 1 28 28 ASN ND2 N 15 112.311 0.000 . 1 . . . . . 337 N ND2 . 27839 1 289 . 1 . 1 29 29 PRO HA H 1 4.878 0.000 . 1 . . . . . 338 P HA . 27839 1 290 . 1 . 1 29 29 PRO HB2 H 1 2.149 0.000 . 1 . . . . . 338 P HB2 . 27839 1 291 . 1 . 1 29 29 PRO HB3 H 1 1.667 0.000 . 1 . . . . . 338 P HB3 . 27839 1 292 . 1 . 1 29 29 PRO HG2 H 1 1.882 0.000 . 1 . . . . . 338 P HG2 . 27839 1 293 . 1 . 1 29 29 PRO HG3 H 1 2.001 0.000 . 1 . . . . . 338 P HG3 . 27839 1 294 . 1 . 1 29 29 PRO HD2 H 1 3.662 0.000 . 1 . . . . . 338 P HD2 . 27839 1 295 . 1 . 1 29 29 PRO HD3 H 1 3.956 0.000 . 1 . . . . . 338 P HD3 . 27839 1 296 . 1 . 1 29 29 PRO C C 13 174.825 0.000 . 1 . . . . . 338 P C . 27839 1 297 . 1 . 1 29 29 PRO CA C 13 63.423 0.000 . 1 . . . . . 338 P CA . 27839 1 298 . 1 . 1 29 29 PRO CB C 13 32.098 0.000 . 1 . . . . . 338 P CB . 27839 1 299 . 1 . 1 29 29 PRO CG C 13 26.367 0.000 . 1 . . . . . 338 P CG . 27839 1 300 . 1 . 1 29 29 PRO CD C 13 51.290 0.000 . 1 . . . . . 338 P CD . 27839 1 301 . 1 . 1 30 30 ASP H H 1 8.391 0.000 . 1 . . . . . 339 D HN . 27839 1 302 . 1 . 1 30 30 ASP HA H 1 4.827 0.000 . 1 . . . . . 339 D HA . 27839 1 303 . 1 . 1 30 30 ASP HB2 H 1 2.767 0.000 . 1 . . . . . 339 D HB2 . 27839 1 304 . 1 . 1 30 30 ASP HB3 H 1 2.529 0.000 . 1 . . . . . 339 D HB3 . 27839 1 305 . 1 . 1 30 30 ASP C C 13 175.574 0.000 . 1 . . . . . 339 D C . 27839 1 306 . 1 . 1 30 30 ASP CA C 13 54.479 0.000 . 1 . . . . . 339 D CA . 27839 1 307 . 1 . 1 30 30 ASP CB C 13 41.729 0.000 . 1 . . . . . 339 D CB . 27839 1 308 . 1 . 1 30 30 ASP N N 15 117.665 0.000 . 1 . . . . . 339 D N . 27839 1 309 . 1 . 1 31 31 LEU H H 1 7.375 0.000 . 1 . . . . . 340 L HN . 27839 1 310 . 1 . 1 31 31 LEU HA H 1 4.568 0.000 . 1 . . . . . 340 L HA . 27839 1 311 . 1 . 1 31 31 LEU HB2 H 1 1.402 0.000 . 1 . . . . . 340 L HB2 . 27839 1 312 . 1 . 1 31 31 LEU HB3 H 1 1.601 0.000 . 1 . . . . . 340 L HB3 . 27839 1 313 . 1 . 1 31 31 LEU HG H 1 1.459 0.000 . 1 . . . . . 340 L HG . 27839 1 314 . 1 . 1 31 31 LEU HD11 H 1 0.728 0.000 . 1 . . . . . 340 L QD1 . 27839 1 315 . 1 . 1 31 31 LEU HD12 H 1 0.728 0.000 . 1 . . . . . 340 L QD1 . 27839 1 316 . 1 . 1 31 31 LEU HD13 H 1 0.728 0.000 . 1 . . . . . 340 L QD1 . 27839 1 317 . 1 . 1 31 31 LEU HD21 H 1 0.798 0.000 . 1 . . . . . 340 L QD2 . 27839 1 318 . 1 . 1 31 31 LEU HD22 H 1 0.798 0.000 . 1 . . . . . 340 L QD2 . 27839 1 319 . 1 . 1 31 31 LEU HD23 H 1 0.798 0.000 . 1 . . . . . 340 L QD2 . 27839 1 320 . 1 . 1 31 31 LEU C C 13 176.355 0.000 . 1 . . . . . 340 L C . 27839 1 321 . 1 . 1 31 31 LEU CA C 13 52.795 0.000 . 1 . . . . . 340 L CA . 27839 1 322 . 1 . 1 31 31 LEU CB C 13 44.684 0.000 . 1 . . . . . 340 L CB . 27839 1 323 . 1 . 1 31 31 LEU CG C 13 24.012 0.000 . 1 . . . . . 340 L CG . 27839 1 324 . 1 . 1 31 31 LEU CD1 C 13 23.718 0.000 . 1 . . . . . 340 L CD1 . 27839 1 325 . 1 . 1 31 31 LEU CD2 C 13 24.196 0.000 . 1 . . . . . 340 L CD2 . 27839 1 326 . 1 . 1 31 31 LEU N N 15 122.425 0.000 . 1 . . . . . 340 L N . 27839 1 327 . 1 . 1 32 32 ALA H H 1 8.463 0.000 . 1 . . . . . 341 A HN . 27839 1 328 . 1 . 1 32 32 ALA HA H 1 4.182 0.000 . 1 . . . . . 341 A HA . 27839 1 329 . 1 . 1 32 32 ALA HB1 H 1 1.364 0.000 . 1 . . . . . 341 A QB . 27839 1 330 . 1 . 1 32 32 ALA HB2 H 1 1.364 0.000 . 1 . . . . . 341 A QB . 27839 1 331 . 1 . 1 32 32 ALA HB3 H 1 1.364 0.000 . 1 . . . . . 341 A QB . 27839 1 332 . 1 . 1 32 32 ALA C C 13 172.834 0.000 . 1 . . . . . 341 A C . 27839 1 333 . 1 . 1 32 32 ALA CA C 13 53.114 0.000 . 1 . . . . . 341 A CA . 27839 1 334 . 1 . 1 32 32 ALA CB C 13 19.272 0.000 . 1 . . . . . 341 A CB . 27839 1 335 . 1 . 1 32 32 ALA N N 15 125.680 0.000 . 1 . . . . . 341 A N . 27839 1 336 . 1 . 1 33 33 GLU H H 1 8.769 0.000 . 1 . . . . . 342 E HN . 27839 1 337 . 1 . 1 33 33 GLU HA H 1 3.845 0.000 . 1 . . . . . 342 E HA . 27839 1 338 . 1 . 1 33 33 GLU HB2 H 1 1.794 0.000 . 1 . . . . . 342 E HB2 . 27839 1 339 . 1 . 1 33 33 GLU HB3 H 1 1.777 0.000 . 1 . . . . . 342 E HB3 . 27839 1 340 . 1 . 1 33 33 GLU HG2 H 1 2.150 0.000 . 1 . . . . . 342 E HG2 . 27839 1 341 . 1 . 1 33 33 GLU HG3 H 1 2.145 0.000 . 1 . . . . . 342 E HG3 . 27839 1 342 . 1 . 1 33 33 GLU C C 13 174.006 0.000 . 1 . . . . . 342 E C . 27839 1 343 . 1 . 1 33 33 GLU CA C 13 57.600 0.000 . 1 . . . . . 342 E CA . 27839 1 344 . 1 . 1 33 33 GLU CB C 13 29.463 0.000 . 1 . . . . . 342 E CB . 27839 1 345 . 1 . 1 33 33 GLU CG C 13 35.926 0.000 . 1 . . . . . 342 E CG . 27839 1 346 . 1 . 1 33 33 GLU N N 15 124.255 0.000 . 1 . . . . . 342 E N . 27839 1 347 . 1 . 1 34 34 GLY H H 1 8.562 0.000 . 1 . . . . . 343 G HN . 27839 1 348 . 1 . 1 34 34 GLY HA2 H 1 4.410 0.000 . 1 . . . . . 343 G HA1 . 27839 1 349 . 1 . 1 34 34 GLY HA3 H 1 3.625 0.000 . 1 . . . . . 343 G HA2 . 27839 1 350 . 1 . 1 34 34 GLY C C 13 176.456 0.000 . 1 . . . . . 343 G C . 27839 1 351 . 1 . 1 34 34 GLY CA C 13 44.957 0.000 . 1 . . . . . 343 G CA . 27839 1 352 . 1 . 1 34 34 GLY N N 15 115.057 0.000 . 1 . . . . . 343 G N . 27839 1 353 . 1 . 1 35 35 THR H H 1 8.101 0.000 . 1 . . . . . 344 T HN . 27839 1 354 . 1 . 1 35 35 THR HA H 1 4.428 0.000 . 1 . . . . . 344 T HA . 27839 1 355 . 1 . 1 35 35 THR HB H 1 4.154 0.000 . 1 . . . . . 344 T HB . 27839 1 356 . 1 . 1 35 35 THR HG1 H 1 5.738 0.000 . 1 . . . . . 344 T HG1 . 27839 1 357 . 1 . 1 35 35 THR HG21 H 1 1.205 0.000 . 1 . . . . . 344 T QG2 . 27839 1 358 . 1 . 1 35 35 THR HG22 H 1 1.205 0.000 . 1 . . . . . 344 T QG2 . 27839 1 359 . 1 . 1 35 35 THR HG23 H 1 1.205 0.000 . 1 . . . . . 344 T QG2 . 27839 1 360 . 1 . 1 35 35 THR C C 13 177.291 0.000 . 1 . . . . . 344 T C . 27839 1 361 . 1 . 1 35 35 THR CA C 13 63.278 0.000 . 1 . . . . . 344 T CA . 27839 1 362 . 1 . 1 35 35 THR CB C 13 69.593 0.000 . 1 . . . . . 344 T CB . 27839 1 363 . 1 . 1 35 35 THR CG2 C 13 21.886 0.000 . 1 . . . . . 344 T CG2 . 27839 1 364 . 1 . 1 35 35 THR N N 15 117.077 0.000 . 1 . . . . . 344 T N . 27839 1 365 . 1 . 1 36 36 VAL H H 1 8.573 0.000 . 1 . . . . . 345 V HN . 27839 1 366 . 1 . 1 36 36 VAL HA H 1 5.137 0.000 . 1 . . . . . 345 V HA . 27839 1 367 . 1 . 1 36 36 VAL HB H 1 1.936 0.000 . 1 . . . . . 345 V HB . 27839 1 368 . 1 . 1 36 36 VAL HG11 H 1 0.856 0.000 . 1 . . . . . 345 V QQG . 27839 1 369 . 1 . 1 36 36 VAL HG12 H 1 0.856 0.000 . 1 . . . . . 345 V QQG . 27839 1 370 . 1 . 1 36 36 VAL HG13 H 1 0.856 0.000 . 1 . . . . . 345 V QQG . 27839 1 371 . 1 . 1 36 36 VAL HG21 H 1 0.856 0.000 . 1 . . . . . 345 V QQG . 27839 1 372 . 1 . 1 36 36 VAL HG22 H 1 0.856 0.000 . 1 . . . . . 345 V QQG . 27839 1 373 . 1 . 1 36 36 VAL HG23 H 1 0.856 0.000 . 1 . . . . . 345 V QQG . 27839 1 374 . 1 . 1 36 36 VAL C C 13 175.519 0.000 . 1 . . . . . 345 V C . 27839 1 375 . 1 . 1 36 36 VAL CA C 13 60.850 0.000 . 1 . . . . . 345 V CA . 27839 1 376 . 1 . 1 36 36 VAL CB C 13 34.945 0.000 . 1 . . . . . 345 V CB . 27839 1 377 . 1 . 1 36 36 VAL CG1 C 13 20.951 0.000 . 1 . . . . . 345 V CG# . 27839 1 378 . 1 . 1 36 36 VAL CG2 C 13 20.951 0.000 . 1 . . . . . 345 V CG# . 27839 1 379 . 1 . 1 36 36 VAL N N 15 125.638 0.000 . 1 . . . . . 345 V N . 27839 1 380 . 1 . 1 37 37 ARG H H 1 9.036 0.000 . 1 . . . . . 346 R HN . 27839 1 381 . 1 . 1 37 37 ARG HA H 1 4.772 0.000 . 1 . . . . . 346 R HA . 27839 1 382 . 1 . 1 37 37 ARG HB2 H 1 1.806 0.000 . 1 . . . . . 346 R QB . 27839 1 383 . 1 . 1 37 37 ARG HB3 H 1 1.806 0.000 . 1 . . . . . 346 R QB . 27839 1 384 . 1 . 1 37 37 ARG C C 13 176.650 0.000 . 1 . . . . . 346 R C . 27839 1 385 . 1 . 1 37 37 ARG CA C 13 54.457 0.000 . 1 . . . . . 346 R CA . 27839 1 386 . 1 . 1 37 37 ARG CB C 13 33.877 0.000 . 1 . . . . . 346 R CB . 27839 1 387 . 1 . 1 37 37 ARG CG C 13 26.617 0.000 . 1 . . . . . 346 R CG . 27839 1 388 . 1 . 1 37 37 ARG CD C 13 43.815 0.000 . 1 . . . . . 346 R CD . 27839 1 389 . 1 . 1 37 37 ARG N N 15 124.664 0.000 . 1 . . . . . 346 R N . 27839 1 390 . 1 . 1 38 38 VAL H H 1 9.055 0.000 . 1 . . . . . 347 V HN . 27839 1 391 . 1 . 1 38 38 VAL HA H 1 4.018 0.000 . 1 . . . . . 347 V HA . 27839 1 392 . 1 . 1 38 38 VAL HB H 1 2.027 0.000 . 1 . . . . . 347 V HB . 27839 1 393 . 1 . 1 38 38 VAL HG11 H 1 0.955 0.000 . 1 . . . . . 347 V QG1 . 27839 1 394 . 1 . 1 38 38 VAL HG12 H 1 0.955 0.000 . 1 . . . . . 347 V QG1 . 27839 1 395 . 1 . 1 38 38 VAL HG13 H 1 0.955 0.000 . 1 . . . . . 347 V QG1 . 27839 1 396 . 1 . 1 38 38 VAL HG21 H 1 0.700 0.000 . 1 . . . . . 347 V QG2 . 27839 1 397 . 1 . 1 38 38 VAL HG22 H 1 0.700 0.000 . 1 . . . . . 347 V QG2 . 27839 1 398 . 1 . 1 38 38 VAL HG23 H 1 0.700 0.000 . 1 . . . . . 347 V QG2 . 27839 1 399 . 1 . 1 38 38 VAL C C 13 175.203 0.000 . 1 . . . . . 347 V C . 27839 1 400 . 1 . 1 38 38 VAL CA C 13 63.874 0.000 . 1 . . . . . 347 V CA . 27839 1 401 . 1 . 1 38 38 VAL CB C 13 31.405 0.000 . 1 . . . . . 347 V CB . 27839 1 402 . 1 . 1 38 38 VAL CG1 C 13 21.849 0.000 . 1 . . . . . 347 V CG1 . 27839 1 403 . 1 . 1 38 38 VAL CG2 C 13 20.964 0.000 . 1 . . . . . 347 V CG2 . 27839 1 404 . 1 . 1 38 38 VAL N N 15 125.598 0.000 . 1 . . . . . 347 V N . 27839 1 405 . 1 . 1 39 39 LYS H H 1 8.889 0.000 . 1 . . . . . 348 K HN . 27839 1 406 . 1 . 1 39 39 LYS HA H 1 4.264 0.000 . 1 . . . . . 348 K HA . 27839 1 407 . 1 . 1 39 39 LYS HB2 H 1 1.603 0.000 . 1 . . . . . 348 K HB2 . 27839 1 408 . 1 . 1 39 39 LYS HB3 H 1 1.605 0.000 . 1 . . . . . 348 K HB3 . 27839 1 409 . 1 . 1 39 39 LYS C C 13 174.519 0.000 . 1 . . . . . 348 K C . 27839 1 410 . 1 . 1 39 39 LYS CA C 13 57.406 0.000 . 1 . . . . . 348 K CA . 27839 1 411 . 1 . 1 39 39 LYS CB C 13 33.559 0.000 . 1 . . . . . 348 K CB . 27839 1 412 . 1 . 1 39 39 LYS CG C 13 24.752 0.000 . 1 . . . . . 348 K CG . 27839 1 413 . 1 . 1 39 39 LYS CD C 13 28.911 0.000 . 1 . . . . . 348 K CD . 27839 1 414 . 1 . 1 39 39 LYS N N 15 131.175 0.000 . 1 . . . . . 348 K N . 27839 1 415 . 1 . 1 40 40 GLN H H 1 7.768 0.000 . 1 . . . . . 349 Q HN . 27839 1 416 . 1 . 1 40 40 GLN HA H 1 4.500 0.000 . 1 . . . . . 349 Q HA . 27839 1 417 . 1 . 1 40 40 GLN HB2 H 1 1.919 0.000 . 1 . . . . . 349 Q QB . 27839 1 418 . 1 . 1 40 40 GLN HB3 H 1 1.919 0.000 . 1 . . . . . 349 Q QB . 27839 1 419 . 1 . 1 40 40 GLN HE21 H 1 7.101 0.000 . 1 . . . . . 349 Q HE21 . 27839 1 420 . 1 . 1 40 40 GLN HE22 H 1 8.197 0.000 . 1 . . . . . 349 Q HE22 . 27839 1 421 . 1 . 1 40 40 GLN C C 13 176.959 0.000 . 1 . . . . . 349 Q C . 27839 1 422 . 1 . 1 40 40 GLN CA C 13 55.143 0.000 . 1 . . . . . 349 Q CA . 27839 1 423 . 1 . 1 40 40 GLN CB C 13 33.092 0.000 . 1 . . . . . 349 Q CB . 27839 1 424 . 1 . 1 40 40 GLN N N 15 116.969 0.000 . 1 . . . . . 349 Q N . 27839 1 425 . 1 . 1 40 40 GLN NE2 N 15 113.929 0.000 . 1 . . . . . 349 Q NE2 . 27839 1 426 . 1 . 1 42 42 GLY C C 13 177.100 0.000 . 1 . . . . . 351 G C . 27839 1 427 . 1 . 1 42 42 GLY CA C 13 43.369 0.000 . 1 . . . . . 351 G CA . 27839 1 428 . 1 . 1 43 43 LYS H H 1 8.450 0.000 . 1 . . . . . 352 K HN . 27839 1 429 . 1 . 1 43 43 LYS C C 13 174.933 0.000 . 1 . . . . . 352 K C . 27839 1 430 . 1 . 1 43 43 LYS CA C 13 55.100 0.000 . 1 . . . . . 352 K CA . 27839 1 431 . 1 . 1 43 43 LYS CB C 13 36.261 0.000 . 1 . . . . . 352 K CB . 27839 1 432 . 1 . 1 43 43 LYS CG C 13 24.525 0.000 . 1 . . . . . 352 K CG . 27839 1 433 . 1 . 1 43 43 LYS N N 15 120.861 0.000 . 1 . . . . . 352 K N . 27839 1 434 . 1 . 1 44 44 LEU H H 1 8.764 0.000 . 1 . . . . . 353 L HN . 27839 1 435 . 1 . 1 44 44 LEU HA H 1 4.536 0.000 . 1 . . . . . 353 L HA . 27839 1 436 . 1 . 1 44 44 LEU HB2 H 1 1.772 0.000 . 1 . . . . . 353 L HB2 . 27839 1 437 . 1 . 1 44 44 LEU HB3 H 1 1.827 0.000 . 1 . . . . . 353 L HB3 . 27839 1 438 . 1 . 1 44 44 LEU HG H 1 2.043 0.000 . 1 . . . . . 353 L HG . 27839 1 439 . 1 . 1 44 44 LEU HD11 H 1 1.060 0.000 . 1 . . . . . 353 L QD1 . 27839 1 440 . 1 . 1 44 44 LEU HD12 H 1 1.060 0.000 . 1 . . . . . 353 L QD1 . 27839 1 441 . 1 . 1 44 44 LEU HD13 H 1 1.060 0.000 . 1 . . . . . 353 L QD1 . 27839 1 442 . 1 . 1 44 44 LEU HD21 H 1 1.079 0.000 . 1 . . . . . 353 L QD2 . 27839 1 443 . 1 . 1 44 44 LEU HD22 H 1 1.079 0.000 . 1 . . . . . 353 L QD2 . 27839 1 444 . 1 . 1 44 44 LEU HD23 H 1 1.079 0.000 . 1 . . . . . 353 L QD2 . 27839 1 445 . 1 . 1 44 44 LEU C C 13 171.472 0.000 . 1 . . . . . 353 L C . 27839 1 446 . 1 . 1 44 44 LEU CA C 13 56.454 0.000 . 1 . . . . . 353 L CA . 27839 1 447 . 1 . 1 44 44 LEU CB C 13 43.340 0.000 . 1 . . . . . 353 L CB . 27839 1 448 . 1 . 1 44 44 LEU CG C 13 27.691 0.000 . 1 . . . . . 353 L CG . 27839 1 449 . 1 . 1 44 44 LEU CD1 C 13 26.221 0.000 . 1 . . . . . 353 L CD1 . 27839 1 450 . 1 . 1 44 44 LEU CD2 C 13 24.824 0.000 . 1 . . . . . 353 L CD2 . 27839 1 451 . 1 . 1 44 44 LEU N N 15 124.512 0.000 . 1 . . . . . 353 L N . 27839 1 452 . 1 . 1 45 45 GLY H H 1 9.233 0.000 . 1 . . . . . 354 G HN . 27839 1 453 . 1 . 1 45 45 GLY HA2 H 1 4.343 0.000 . 1 . . . . . 354 G HA1 . 27839 1 454 . 1 . 1 45 45 GLY HA3 H 1 3.526 0.000 . 1 . . . . . 354 G HA2 . 27839 1 455 . 1 . 1 45 45 GLY C C 13 177.037 0.000 . 1 . . . . . 354 G C . 27839 1 456 . 1 . 1 45 45 GLY CA C 13 43.482 0.000 . 1 . . . . . 354 G CA . 27839 1 457 . 1 . 1 45 45 GLY N N 15 108.681 0.000 . 1 . . . . . 354 G N . 27839 1 458 . 1 . 1 46 46 LYS H H 1 9.006 0.000 . 1 . . . . . 355 K HN . 27839 1 459 . 1 . 1 46 46 LYS HA H 1 5.122 0.000 . 1 . . . . . 355 K HA . 27839 1 460 . 1 . 1 46 46 LYS HB2 H 1 1.784 0.000 . 1 . . . . . 355 K HB2 . 27839 1 461 . 1 . 1 46 46 LYS HB3 H 1 1.568 0.000 . 1 . . . . . 355 K HB3 . 27839 1 462 . 1 . 1 46 46 LYS HG2 H 1 1.267 0.000 . 1 . . . . . 355 K HG2 . 27839 1 463 . 1 . 1 46 46 LYS HG3 H 1 1.246 0.000 . 1 . . . . . 355 K HG3 . 27839 1 464 . 1 . 1 46 46 LYS HD2 H 1 1.515 0.000 . 1 . . . . . 355 K HD2 . 27839 1 465 . 1 . 1 46 46 LYS HD3 H 1 1.653 0.000 . 1 . . . . . 355 K HD3 . 27839 1 466 . 1 . 1 46 46 LYS HE2 H 1 2.823 0.000 . 1 . . . . . 355 K QE . 27839 1 467 . 1 . 1 46 46 LYS HE3 H 1 2.823 0.000 . 1 . . . . . 355 K QE . 27839 1 468 . 1 . 1 46 46 LYS C C 13 177.641 0.000 . 1 . . . . . 355 K C . 27839 1 469 . 1 . 1 46 46 LYS CA C 13 56.187 0.000 . 1 . . . . . 355 K CA . 27839 1 470 . 1 . 1 46 46 LYS CB C 13 36.024 0.000 . 1 . . . . . 355 K CB . 27839 1 471 . 1 . 1 46 46 LYS CG C 13 24.140 0.000 . 1 . . . . . 355 K CG . 27839 1 472 . 1 . 1 46 46 LYS CD C 13 29.468 0.000 . 1 . . . . . 355 K CD . 27839 1 473 . 1 . 1 46 46 LYS CE C 13 41.804 0.000 . 1 . . . . . 355 K CE . 27839 1 474 . 1 . 1 46 46 LYS N N 15 119.479 0.000 . 1 . . . . . 355 K N . 27839 1 475 . 1 . 1 47 47 LYS H H 1 9.267 0.000 . 1 . . . . . 356 K HN . 27839 1 476 . 1 . 1 47 47 LYS C C 13 176.341 0.000 . 1 . . . . . 356 K C . 27839 1 477 . 1 . 1 47 47 LYS CA C 13 54.962 0.000 . 1 . . . . . 356 K CA . 27839 1 478 . 1 . 1 47 47 LYS CB C 13 34.765 0.000 . 1 . . . . . 356 K CB . 27839 1 479 . 1 . 1 47 47 LYS CG C 13 25.099 0.000 . 1 . . . . . 356 K CG . 27839 1 480 . 1 . 1 47 47 LYS CD C 13 29.162 0.000 . 1 . . . . . 356 K CD . 27839 1 481 . 1 . 1 47 47 LYS N N 15 127.183 0.000 . 1 . . . . . 356 K N . 27839 1 482 . 1 . 1 48 48 VAL H H 1 9.095 0.000 . 1 . . . . . 357 V HN . 27839 1 483 . 1 . 1 48 48 VAL HA H 1 4.794 0.000 . 1 . . . . . 357 V HA . 27839 1 484 . 1 . 1 48 48 VAL HB H 1 1.960 0.000 . 1 . . . . . 357 V HB . 27839 1 485 . 1 . 1 48 48 VAL C C 13 175.073 0.000 . 1 . . . . . 357 V C . 27839 1 486 . 1 . 1 48 48 VAL CA C 13 61.807 0.000 . 1 . . . . . 357 V CA . 27839 1 487 . 1 . 1 48 48 VAL CB C 13 33.843 0.000 . 1 . . . . . 357 V CB . 27839 1 488 . 1 . 1 48 48 VAL CG1 C 13 21.415 0.000 . 1 . . . . . 357 V CG1 . 27839 1 489 . 1 . 1 48 48 VAL N N 15 126.822 0.000 . 1 . . . . . 357 V N . 27839 1 490 . 1 . 1 49 49 GLU H H 1 9.184 0.000 . 1 . . . . . 358 E HN . 27839 1 491 . 1 . 1 49 49 GLU HA H 1 5.216 0.000 . 1 . . . . . 358 E HA . 27839 1 492 . 1 . 1 49 49 GLU HB2 H 1 1.990 0.000 . 1 . . . . . 358 E HB2 . 27839 1 493 . 1 . 1 49 49 GLU HB3 H 1 1.922 0.000 . 1 . . . . . 358 E HB3 . 27839 1 494 . 1 . 1 49 49 GLU HG2 H 1 2.238 0.000 . 1 . . . . . 358 E HG2 . 27839 1 495 . 1 . 1 49 49 GLU HG3 H 1 2.149 0.000 . 1 . . . . . 358 E HG3 . 27839 1 496 . 1 . 1 49 49 GLU C C 13 176.566 0.000 . 1 . . . . . 358 E C . 27839 1 497 . 1 . 1 49 49 GLU CA C 13 54.457 0.000 . 1 . . . . . 358 E CA . 27839 1 498 . 1 . 1 49 49 GLU CB C 13 33.898 0.000 . 1 . . . . . 358 E CB . 27839 1 499 . 1 . 1 49 49 GLU CG C 13 37.580 0.000 . 1 . . . . . 358 E CG . 27839 1 500 . 1 . 1 49 49 GLU N N 15 128.817 0.000 . 1 . . . . . 358 E N . 27839 1 501 . 1 . 1 50 50 ILE H H 1 8.526 0.000 . 1 . . . . . 359 I HN . 27839 1 502 . 1 . 1 50 50 ILE HA H 1 4.843 0.000 . 1 . . . . . 359 I HA . 27839 1 503 . 1 . 1 50 50 ILE HB H 1 1.746 0.000 . 1 . . . . . 359 I HB . 27839 1 504 . 1 . 1 50 50 ILE HG12 H 1 1.195 0.000 . 1 . . . . . 359 I HG12 . 27839 1 505 . 1 . 1 50 50 ILE HG13 H 1 1.456 0.000 . 1 . . . . . 359 I HG13 . 27839 1 506 . 1 . 1 50 50 ILE HG21 H 1 0.727 0.000 . 1 . . . . . 359 I QG2 . 27839 1 507 . 1 . 1 50 50 ILE HG22 H 1 0.727 0.000 . 1 . . . . . 359 I QG2 . 27839 1 508 . 1 . 1 50 50 ILE HG23 H 1 0.727 0.000 . 1 . . . . . 359 I QG2 . 27839 1 509 . 1 . 1 50 50 ILE HD11 H 1 0.758 0.000 . 1 . . . . . 359 I QD1 . 27839 1 510 . 1 . 1 50 50 ILE HD12 H 1 0.758 0.000 . 1 . . . . . 359 I QD1 . 27839 1 511 . 1 . 1 50 50 ILE HD13 H 1 0.758 0.000 . 1 . . . . . 359 I QD1 . 27839 1 512 . 1 . 1 50 50 ILE C C 13 175.622 0.000 . 1 . . . . . 359 I C . 27839 1 513 . 1 . 1 50 50 ILE CA C 13 60.766 0.000 . 1 . . . . . 359 I CA . 27839 1 514 . 1 . 1 50 50 ILE CB C 13 37.901 0.000 . 1 . . . . . 359 I CB . 27839 1 515 . 1 . 1 50 50 ILE CG1 C 13 27.184 0.000 . 1 . . . . . 359 I CG1 . 27839 1 516 . 1 . 1 50 50 ILE CG2 C 13 16.817 0.000 . 1 . . . . . 359 I CG2 . 27839 1 517 . 1 . 1 50 50 ILE CD1 C 13 12.468 0.000 . 1 . . . . . 359 I CD1 . 27839 1 518 . 1 . 1 50 50 ILE N N 15 123.627 0.000 . 1 . . . . . 359 I N . 27839 1 519 . 1 . 1 51 51 VAL H H 1 9.228 0.000 . 1 . . . . . 360 V HN . 27839 1 520 . 1 . 1 51 51 VAL C C 13 176.938 0.000 . 1 . . . . . 360 V C . 27839 1 521 . 1 . 1 51 51 VAL CA C 13 59.913 0.000 . 1 . . . . . 360 V CA . 27839 1 522 . 1 . 1 51 51 VAL CB C 13 34.928 0.000 . 1 . . . . . 360 V CB . 27839 1 523 . 1 . 1 51 51 VAL N N 15 126.949 0.000 . 1 . . . . . 360 V N . 27839 1 524 . 1 . 1 52 52 ARG H H 1 9.360 0.000 . 1 . . . . . 361 R HN . 27839 1 525 . 1 . 1 52 52 ARG HA H 1 4.992 0.000 . 1 . . . . . 361 R HA . 27839 1 526 . 1 . 1 52 52 ARG HB2 H 1 1.522 0.000 . 1 . . . . . 361 R HB2 . 27839 1 527 . 1 . 1 52 52 ARG HB3 H 1 1.524 0.000 . 1 . . . . . 361 R HB3 . 27839 1 528 . 1 . 1 52 52 ARG HG2 H 1 1.006 0.000 . 1 . . . . . 361 R HG2 . 27839 1 529 . 1 . 1 52 52 ARG HG3 H 1 1.232 0.000 . 1 . . . . . 361 R HG3 . 27839 1 530 . 1 . 1 52 52 ARG HD2 H 1 2.777 0.000 . 1 . . . . . 361 R HD2 . 27839 1 531 . 1 . 1 52 52 ARG HD3 H 1 2.162 0.000 . 1 . . . . . 361 R HD3 . 27839 1 532 . 1 . 1 52 52 ARG C C 13 176.241 0.000 . 1 . . . . . 361 R C . 27839 1 533 . 1 . 1 52 52 ARG CA C 13 55.117 0.000 . 1 . . . . . 361 R CA . 27839 1 534 . 1 . 1 52 52 ARG CB C 13 32.620 0.000 . 1 . . . . . 361 R CB . 27839 1 535 . 1 . 1 52 52 ARG CG C 13 27.941 0.000 . 1 . . . . . 361 R CG . 27839 1 536 . 1 . 1 52 52 ARG CD C 13 43.280 0.000 . 1 . . . . . 361 R CD . 27839 1 537 . 1 . 1 52 52 ARG N N 15 126.243 0.000 . 1 . . . . . 361 R N . 27839 1 538 . 1 . 1 53 53 ILE H H 1 9.147 0.000 . 1 . . . . . 362 I HN . 27839 1 539 . 1 . 1 53 53 ILE HA H 1 4.586 0.000 . 1 . . . . . 362 I HA . 27839 1 540 . 1 . 1 53 53 ILE HB H 1 1.579 0.000 . 1 . . . . . 362 I HB . 27839 1 541 . 1 . 1 53 53 ILE HD11 H 1 0.738 0.000 . 1 . . . . . 362 I QD1 . 27839 1 542 . 1 . 1 53 53 ILE HD12 H 1 0.738 0.000 . 1 . . . . . 362 I QD1 . 27839 1 543 . 1 . 1 53 53 ILE HD13 H 1 0.738 0.000 . 1 . . . . . 362 I QD1 . 27839 1 544 . 1 . 1 53 53 ILE C C 13 174.937 0.000 . 1 . . . . . 362 I C . 27839 1 545 . 1 . 1 53 53 ILE CA C 13 61.281 0.000 . 1 . . . . . 362 I CA . 27839 1 546 . 1 . 1 53 53 ILE CB C 13 40.637 0.000 . 1 . . . . . 362 I CB . 27839 1 547 . 1 . 1 53 53 ILE CG1 C 13 28.456 0.000 . 1 . . . . . 362 I CG1 . 27839 1 548 . 1 . 1 53 53 ILE CG2 C 13 18.020 0.000 . 1 . . . . . 362 I CG2 . 27839 1 549 . 1 . 1 53 53 ILE CD1 C 13 14.641 0.000 . 1 . . . . . 362 I CD1 . 27839 1 550 . 1 . 1 53 53 ILE N N 15 127.034 0.000 . 1 . . . . . 362 I N . 27839 1 551 . 1 . 1 54 54 PHE H H 1 9.197 0.000 . 1 . . . . . 363 F HN . 27839 1 552 . 1 . 1 54 54 PHE HA H 1 5.330 0.000 . 1 . . . . . 363 F HA . 27839 1 553 . 1 . 1 54 54 PHE HB2 H 1 3.108 0.000 . 1 . . . . . 363 F HB2 . 27839 1 554 . 1 . 1 54 54 PHE HB3 H 1 2.983 0.000 . 1 . . . . . 363 F HB3 . 27839 1 555 . 1 . 1 54 54 PHE HD1 H 1 7.023 0.000 . 1 . . . . . 363 F QD . 27839 1 556 . 1 . 1 54 54 PHE HD2 H 1 7.023 0.000 . 1 . . . . . 363 F QD . 27839 1 557 . 1 . 1 54 54 PHE HE1 H 1 7.105 0.000 . 1 . . . . . 363 F QE . 27839 1 558 . 1 . 1 54 54 PHE HE2 H 1 7.105 0.000 . 1 . . . . . 363 F QE . 27839 1 559 . 1 . 1 54 54 PHE HZ H 1 7.058 0.000 . 1 . . . . . 363 F HZ . 27839 1 560 . 1 . 1 54 54 PHE C C 13 175.292 0.000 . 1 . . . . . 363 F C . 27839 1 561 . 1 . 1 54 54 PHE CA C 13 56.871 0.000 . 1 . . . . . 363 F CA . 27839 1 562 . 1 . 1 54 54 PHE CB C 13 40.708 0.000 . 1 . . . . . 363 F CB . 27839 1 563 . 1 . 1 54 54 PHE CD2 C 13 132.180 0.000 . 1 . . . . . 363 F CD2 . 27839 1 564 . 1 . 1 54 54 PHE CE1 C 13 130.920 0.000 . 1 . . . . . 363 F CE1 . 27839 1 565 . 1 . 1 54 54 PHE CZ C 13 129.375 0.000 . 1 . . . . . 363 F CZ . 27839 1 566 . 1 . 1 54 54 PHE N N 15 129.550 0.000 . 1 . . . . . 363 F N . 27839 1 567 . 1 . 1 55 55 SER H H 1 9.132 0.000 . 1 . . . . . 364 S HN . 27839 1 568 . 1 . 1 55 55 SER HA H 1 5.359 0.000 . 1 . . . . . 364 S HA . 27839 1 569 . 1 . 1 55 55 SER HB2 H 1 3.431 0.000 . 1 . . . . . 364 S QB . 27839 1 570 . 1 . 1 55 55 SER HB3 H 1 3.431 0.000 . 1 . . . . . 364 S QB . 27839 1 571 . 1 . 1 55 55 SER C C 13 178.807 0.000 . 1 . . . . . 364 S C . 27839 1 572 . 1 . 1 55 55 SER CA C 13 57.339 0.000 . 1 . . . . . 364 S CA . 27839 1 573 . 1 . 1 55 55 SER CB C 13 66.630 0.000 . 1 . . . . . 364 S CB . 27839 1 574 . 1 . 1 55 55 SER N N 15 118.606 0.000 . 1 . . . . . 364 S N . 27839 1 575 . 1 . 1 56 56 VAL H H 1 8.440 0.000 . 1 . . . . . 365 V HN . 27839 1 576 . 1 . 1 56 56 VAL C C 13 174.022 0.000 . 1 . . . . . 365 V C . 27839 1 577 . 1 . 1 56 56 VAL CA C 13 61.539 0.000 . 1 . . . . . 365 V CA . 27839 1 578 . 1 . 1 56 56 VAL CB C 13 34.153 0.000 . 1 . . . . . 365 V CB . 27839 1 579 . 1 . 1 56 56 VAL CG1 C 13 21.640 0.000 . 1 . . . . . 365 V CG1 . 27839 1 580 . 1 . 1 56 56 VAL N N 15 120.989 0.000 . 1 . . . . . 365 V N . 27839 1 581 . 1 . 1 57 57 ASN H H 1 9.586 0.000 . 1 . . . . . 366 N HN . 27839 1 582 . 1 . 1 57 57 ASN HA H 1 4.374 0.000 . 1 . . . . . 366 N HA . 27839 1 583 . 1 . 1 57 57 ASN HB2 H 1 3.080 0.000 . 1 . . . . . 366 N HB2 . 27839 1 584 . 1 . 1 57 57 ASN HB3 H 1 2.839 0.000 . 1 . . . . . 366 N HB3 . 27839 1 585 . 1 . 1 57 57 ASN HD21 H 1 7.731 0.000 . 1 . . . . . 366 N HD21 . 27839 1 586 . 1 . 1 57 57 ASN HD22 H 1 6.907 0.000 . 1 . . . . . 366 N HD22 . 27839 1 587 . 1 . 1 57 57 ASN C C 13 176.472 0.000 . 1 . . . . . 366 N C . 27839 1 588 . 1 . 1 57 57 ASN CA C 13 54.703 0.000 . 1 . . . . . 366 N CA . 27839 1 589 . 1 . 1 57 57 ASN CB C 13 37.211 0.000 . 1 . . . . . 366 N CB . 27839 1 590 . 1 . 1 57 57 ASN N N 15 127.326 0.000 . 1 . . . . . 366 N N . 27839 1 591 . 1 . 1 57 57 ASN ND2 N 15 113.205 0.000 . 1 . . . . . 366 N ND2 . 27839 1 592 . 1 . 1 58 58 LYS H H 1 8.656 0.000 . 1 . . . . . 367 K HN . 27839 1 593 . 1 . 1 58 58 LYS HA H 1 3.810 0.000 . 1 . . . . . 367 K HA . 27839 1 594 . 1 . 1 58 58 LYS HB2 H 1 2.110 0.000 . 1 . . . . . 367 K HB2 . 27839 1 595 . 1 . 1 58 58 LYS HB3 H 1 2.016 0.000 . 1 . . . . . 367 K HB3 . 27839 1 596 . 1 . 1 58 58 LYS HG2 H 1 1.362 0.000 . 1 . . . . . 367 K QG . 27839 1 597 . 1 . 1 58 58 LYS HG3 H 1 1.362 0.000 . 1 . . . . . 367 K QG . 27839 1 598 . 1 . 1 58 58 LYS HE2 H 1 2.987 0.000 . 1 . . . . . 367 K QE . 27839 1 599 . 1 . 1 58 58 LYS HE3 H 1 2.987 0.000 . 1 . . . . . 367 K QE . 27839 1 600 . 1 . 1 58 58 LYS C C 13 175.371 0.000 . 1 . . . . . 367 K C . 27839 1 601 . 1 . 1 58 58 LYS CA C 13 58.060 0.000 . 1 . . . . . 367 K CA . 27839 1 602 . 1 . 1 58 58 LYS CB C 13 30.562 0.000 . 1 . . . . . 367 K CB . 27839 1 603 . 1 . 1 58 58 LYS CG C 13 25.243 0.000 . 1 . . . . . 367 K CG . 27839 1 604 . 1 . 1 58 58 LYS CD C 13 28.969 0.000 . 1 . . . . . 367 K CD . 27839 1 605 . 1 . 1 58 58 LYS N N 15 110.368 0.000 . 1 . . . . . 367 K N . 27839 1 606 . 1 . 1 59 59 GLU H H 1 7.861 0.000 . 1 . . . . . 368 E HN . 27839 1 607 . 1 . 1 59 59 GLU HA H 1 4.538 0.000 . 1 . . . . . 368 E HA . 27839 1 608 . 1 . 1 59 59 GLU HB2 H 1 2.017 0.000 . 1 . . . . . 368 E HB2 . 27839 1 609 . 1 . 1 59 59 GLU HB3 H 1 1.994 0.000 . 1 . . . . . 368 E HB3 . 27839 1 610 . 1 . 1 59 59 GLU HG2 H 1 2.263 0.000 . 1 . . . . . 368 E HG2 . 27839 1 611 . 1 . 1 59 59 GLU HG3 H 1 2.170 0.000 . 1 . . . . . 368 E HG3 . 27839 1 612 . 1 . 1 59 59 GLU C C 13 175.658 0.000 . 1 . . . . . 368 E C . 27839 1 613 . 1 . 1 59 59 GLU CA C 13 55.135 0.000 . 1 . . . . . 368 E CA . 27839 1 614 . 1 . 1 59 59 GLU CB C 13 31.323 0.000 . 1 . . . . . 368 E CB . 27839 1 615 . 1 . 1 59 59 GLU CG C 13 35.856 0.000 . 1 . . . . . 368 E CG . 27839 1 616 . 1 . 1 59 59 GLU N N 15 120.867 0.000 . 1 . . . . . 368 E N . 27839 1 617 . 1 . 1 60 60 GLU H H 1 8.668 0.000 . 1 . . . . . 369 E HN . 27839 1 618 . 1 . 1 60 60 GLU HA H 1 4.335 0.000 . 1 . . . . . 369 E HA . 27839 1 619 . 1 . 1 60 60 GLU HG2 H 1 2.322 0.000 . 1 . . . . . 369 E HG2 . 27839 1 620 . 1 . 1 60 60 GLU HG3 H 1 1.974 0.000 . 1 . . . . . 369 E HG3 . 27839 1 621 . 1 . 1 60 60 GLU C C 13 173.814 0.000 . 1 . . . . . 369 E C . 27839 1 622 . 1 . 1 60 60 GLU CA C 13 57.451 0.000 . 1 . . . . . 369 E CA . 27839 1 623 . 1 . 1 60 60 GLU CB C 13 29.852 0.000 . 1 . . . . . 369 E CB . 27839 1 624 . 1 . 1 60 60 GLU CG C 13 36.772 0.000 . 1 . . . . . 369 E CG . 27839 1 625 . 1 . 1 60 60 GLU N N 15 125.752 0.000 . 1 . . . . . 369 E N . 27839 1 626 . 1 . 1 61 61 VAL H H 1 9.319 0.000 . 1 . . . . . 370 V HN . 27839 1 627 . 1 . 1 61 61 VAL HA H 1 4.454 0.000 . 1 . . . . . 370 V HA . 27839 1 628 . 1 . 1 61 61 VAL HB H 1 2.057 0.000 . 1 . . . . . 370 V HB . 27839 1 629 . 1 . 1 61 61 VAL HG11 H 1 0.866 0.000 . 1 . . . . . 370 V QG1 . 27839 1 630 . 1 . 1 61 61 VAL HG12 H 1 0.866 0.000 . 1 . . . . . 370 V QG1 . 27839 1 631 . 1 . 1 61 61 VAL HG13 H 1 0.866 0.000 . 1 . . . . . 370 V QG1 . 27839 1 632 . 1 . 1 61 61 VAL HG21 H 1 0.974 0.000 . 1 . . . . . 370 V QG2 . 27839 1 633 . 1 . 1 61 61 VAL HG22 H 1 0.974 0.000 . 1 . . . . . 370 V QG2 . 27839 1 634 . 1 . 1 61 61 VAL HG23 H 1 0.974 0.000 . 1 . . . . . 370 V QG2 . 27839 1 635 . 1 . 1 61 61 VAL C C 13 175.041 0.000 . 1 . . . . . 370 V C . 27839 1 636 . 1 . 1 61 61 VAL CA C 13 62.496 0.000 . 1 . . . . . 370 V CA . 27839 1 637 . 1 . 1 61 61 VAL CB C 13 33.934 0.000 . 1 . . . . . 370 V CB . 27839 1 638 . 1 . 1 61 61 VAL CG1 C 13 20.250 0.000 . 1 . . . . . 370 V CG1 . 27839 1 639 . 1 . 1 61 61 VAL CG2 C 13 21.521 0.000 . 1 . . . . . 370 V CG2 . 27839 1 640 . 1 . 1 61 61 VAL N N 15 122.890 0.000 . 1 . . . . . 370 V N . 27839 1 641 . 1 . 1 62 62 SER H H 1 7.934 0.000 . 1 . . . . . 371 S HN . 27839 1 642 . 1 . 1 62 62 SER HA H 1 4.763 0.000 . 1 . . . . . 371 S HA . 27839 1 643 . 1 . 1 62 62 SER HB2 H 1 3.893 0.000 . 1 . . . . . 371 S HB2 . 27839 1 644 . 1 . 1 62 62 SER HB3 H 1 3.936 0.000 . 1 . . . . . 371 S HB3 . 27839 1 645 . 1 . 1 62 62 SER C C 13 178.951 0.000 . 1 . . . . . 371 S C . 27839 1 646 . 1 . 1 62 62 SER CA C 13 58.397 0.000 . 1 . . . . . 371 S CA . 27839 1 647 . 1 . 1 62 62 SER CB C 13 64.704 0.000 . 1 . . . . . 371 S CB . 27839 1 648 . 1 . 1 62 62 SER N N 15 113.998 0.000 . 1 . . . . . 371 S N . 27839 1 649 . 1 . 1 63 63 ARG H H 1 8.388 0.000 . 1 . . . . . 372 R HN . 27839 1 650 . 1 . 1 63 63 ARG HA H 1 5.546 0.000 . 1 . . . . . 372 R HA . 27839 1 651 . 1 . 1 63 63 ARG HB2 H 1 1.847 0.000 . 1 . . . . . 372 R HB2 . 27839 1 652 . 1 . 1 63 63 ARG HB3 H 1 1.545 0.000 . 1 . . . . . 372 R HB3 . 27839 1 653 . 1 . 1 63 63 ARG HD2 H 1 2.971 0.000 . 1 . . . . . 372 R HD2 . 27839 1 654 . 1 . 1 63 63 ARG HD3 H 1 3.190 0.000 . 1 . . . . . 372 R HD3 . 27839 1 655 . 1 . 1 63 63 ARG C C 13 175.973 0.000 . 1 . . . . . 372 R C . 27839 1 656 . 1 . 1 63 63 ARG CA C 13 55.246 0.000 . 1 . . . . . 372 R CA . 27839 1 657 . 1 . 1 63 63 ARG CB C 13 34.224 0.000 . 1 . . . . . 372 R CB . 27839 1 658 . 1 . 1 63 63 ARG CG C 13 26.442 0.000 . 1 . . . . . 372 R CG . 27839 1 659 . 1 . 1 63 63 ARG CD C 13 43.894 0.000 . 1 . . . . . 372 R CD . 27839 1 660 . 1 . 1 63 63 ARG N N 15 118.378 0.000 . 1 . . . . . 372 R N . 27839 1 661 . 1 . 1 64 64 GLU H H 1 9.049 0.000 . 1 . . . . . 373 E HN . 27839 1 662 . 1 . 1 64 64 GLU HA H 1 4.756 0.000 . 1 . . . . . 373 E HA . 27839 1 663 . 1 . 1 64 64 GLU HB2 H 1 2.026 0.000 . 1 . . . . . 373 E QB . 27839 1 664 . 1 . 1 64 64 GLU HB3 H 1 2.026 0.000 . 1 . . . . . 373 E QB . 27839 1 665 . 1 . 1 64 64 GLU C C 13 176.370 0.000 . 1 . . . . . 373 E C . 27839 1 666 . 1 . 1 64 64 GLU CA C 13 54.536 0.000 . 1 . . . . . 373 E CA . 27839 1 667 . 1 . 1 64 64 GLU CB C 13 33.834 0.000 . 1 . . . . . 373 E CB . 27839 1 668 . 1 . 1 64 64 GLU CG C 13 35.637 0.000 . 1 . . . . . 373 E CG . 27839 1 669 . 1 . 1 64 64 GLU N N 15 121.670 0.000 . 1 . . . . . 373 E N . 27839 1 670 . 1 . 1 65 65 ILE H H 1 8.947 0.000 . 1 . . . . . 374 I HN . 27839 1 671 . 1 . 1 65 65 ILE HA H 1 4.363 0.000 . 1 . . . . . 374 I HA . 27839 1 672 . 1 . 1 65 65 ILE HB H 1 1.866 0.000 . 1 . . . . . 374 I HB . 27839 1 673 . 1 . 1 65 65 ILE HG12 H 1 1.123 0.000 . 1 . . . . . 374 I HG12 . 27839 1 674 . 1 . 1 65 65 ILE HG13 H 1 1.568 0.000 . 1 . . . . . 374 I HG13 . 27839 1 675 . 1 . 1 65 65 ILE HG21 H 1 0.829 0.000 . 1 . . . . . 374 I QG2 . 27839 1 676 . 1 . 1 65 65 ILE HG22 H 1 0.829 0.000 . 1 . . . . . 374 I QG2 . 27839 1 677 . 1 . 1 65 65 ILE HG23 H 1 0.829 0.000 . 1 . . . . . 374 I QG2 . 27839 1 678 . 1 . 1 65 65 ILE HD11 H 1 0.820 0.000 . 1 . . . . . 374 I QD1 . 27839 1 679 . 1 . 1 65 65 ILE HD12 H 1 0.820 0.000 . 1 . . . . . 374 I QD1 . 27839 1 680 . 1 . 1 65 65 ILE HD13 H 1 0.820 0.000 . 1 . . . . . 374 I QD1 . 27839 1 681 . 1 . 1 65 65 ILE C C 13 174.032 0.000 . 1 . . . . . 374 I C . 27839 1 682 . 1 . 1 65 65 ILE CA C 13 61.548 0.000 . 1 . . . . . 374 I CA . 27839 1 683 . 1 . 1 65 65 ILE CB C 13 37.338 0.000 . 1 . . . . . 374 I CB . 27839 1 684 . 1 . 1 65 65 ILE CG1 C 13 27.997 0.000 . 1 . . . . . 374 I CG1 . 27839 1 685 . 1 . 1 65 65 ILE CG2 C 13 17.923 0.000 . 1 . . . . . 374 I CG2 . 27839 1 686 . 1 . 1 65 65 ILE CD1 C 13 12.794 0.000 . 1 . . . . . 374 I CD1 . 27839 1 687 . 1 . 1 65 65 ILE N N 15 125.491 0.000 . 1 . . . . . 374 I N . 27839 1 688 . 1 . 1 66 66 VAL H H 1 9.226 0.000 . 1 . . . . . 375 V HN . 27839 1 689 . 1 . 1 66 66 VAL HA H 1 4.128 0.000 . 1 . . . . . 375 V HA . 27839 1 690 . 1 . 1 66 66 VAL HB H 1 2.013 0.000 . 1 . . . . . 375 V HB . 27839 1 691 . 1 . 1 66 66 VAL HG11 H 1 0.815 0.000 . 1 . . . . . 375 V QG1 . 27839 1 692 . 1 . 1 66 66 VAL HG12 H 1 0.815 0.000 . 1 . . . . . 375 V QG1 . 27839 1 693 . 1 . 1 66 66 VAL HG13 H 1 0.815 0.000 . 1 . . . . . 375 V QG1 . 27839 1 694 . 1 . 1 66 66 VAL HG21 H 1 0.817 0.000 . 1 . . . . . 375 V QG2 . 27839 1 695 . 1 . 1 66 66 VAL HG22 H 1 0.817 0.000 . 1 . . . . . 375 V QG2 . 27839 1 696 . 1 . 1 66 66 VAL HG23 H 1 0.817 0.000 . 1 . . . . . 375 V QG2 . 27839 1 697 . 1 . 1 66 66 VAL C C 13 174.576 0.000 . 1 . . . . . 375 V C . 27839 1 698 . 1 . 1 66 66 VAL CA C 13 63.431 0.000 . 1 . . . . . 375 V CA . 27839 1 699 . 1 . 1 66 66 VAL CB C 13 32.746 0.000 . 1 . . . . . 375 V CB . 27839 1 700 . 1 . 1 66 66 VAL CG1 C 13 20.634 0.000 . 1 . . . . . 375 V CG# . 27839 1 701 . 1 . 1 66 66 VAL CG2 C 13 20.634 0.000 . 1 . . . . . 375 V CG# . 27839 1 702 . 1 . 1 66 66 VAL N N 15 127.195 0.000 . 1 . . . . . 375 V N . 27839 1 703 . 1 . 1 67 67 SER H H 1 7.497 0.000 . 1 . . . . . 376 S HN . 27839 1 704 . 1 . 1 67 67 SER HA H 1 4.634 0.000 . 1 . . . . . 376 S HA . 27839 1 705 . 1 . 1 67 67 SER HB2 H 1 3.857 0.000 . 1 . . . . . 376 S HB2 . 27839 1 706 . 1 . 1 67 67 SER HB3 H 1 3.688 0.000 . 1 . . . . . 376 S HB3 . 27839 1 707 . 1 . 1 67 67 SER C C 13 178.701 0.000 . 1 . . . . . 376 S C . 27839 1 708 . 1 . 1 67 67 SER CA C 13 57.989 0.000 . 1 . . . . . 376 S CA . 27839 1 709 . 1 . 1 67 67 SER CB C 13 64.760 0.000 . 1 . . . . . 376 S CB . 27839 1 710 . 1 . 1 67 67 SER N N 15 112.703 0.000 . 1 . . . . . 376 S N . 27839 1 711 . 1 . 1 68 68 THR H H 1 8.375 0.000 . 1 . . . . . 377 T HN . 27839 1 712 . 1 . 1 68 68 THR HA H 1 5.206 0.000 . 1 . . . . . 377 T HA . 27839 1 713 . 1 . 1 68 68 THR HB H 1 3.937 0.000 . 1 . . . . . 377 T HB . 27839 1 714 . 1 . 1 68 68 THR C C 13 177.888 0.000 . 1 . . . . . 377 T C . 27839 1 715 . 1 . 1 68 68 THR CA C 13 61.514 0.000 . 1 . . . . . 377 T CA . 27839 1 716 . 1 . 1 68 68 THR CB C 13 70.944 0.000 . 1 . . . . . 377 T CB . 27839 1 717 . 1 . 1 68 68 THR CG2 C 13 21.096 0.000 . 1 . . . . . 377 T CG2 . 27839 1 718 . 1 . 1 68 68 THR N N 15 118.381 0.000 . 1 . . . . . 377 T N . 27839 1 719 . 1 . 1 69 69 SER H H 1 8.837 0.000 . 1 . . . . . 378 S HN . 27839 1 720 . 1 . 1 69 69 SER HA H 1 4.842 0.000 . 1 . . . . . 378 S HA . 27839 1 721 . 1 . 1 69 69 SER HB2 H 1 3.781 0.000 . 1 . . . . . 378 S QB . 27839 1 722 . 1 . 1 69 69 SER HB3 H 1 3.781 0.000 . 1 . . . . . 378 S QB . 27839 1 723 . 1 . 1 69 69 SER C C 13 177.369 0.000 . 1 . . . . . 378 S C . 27839 1 724 . 1 . 1 69 69 SER CA C 13 57.360 0.000 . 1 . . . . . 378 S CA . 27839 1 725 . 1 . 1 69 69 SER CB C 13 65.183 0.000 . 1 . . . . . 378 S CB . 27839 1 726 . 1 . 1 69 69 SER N N 15 121.451 0.000 . 1 . . . . . 378 S N . 27839 1 727 . 1 . 1 70 70 THR H H 1 8.858 0.000 . 1 . . . . . 379 T HN . 27839 1 728 . 1 . 1 70 70 THR HA H 1 5.188 0.000 . 1 . . . . . 379 T HA . 27839 1 729 . 1 . 1 70 70 THR HB H 1 3.936 0.000 . 1 . . . . . 379 T HB . 27839 1 730 . 1 . 1 70 70 THR HG21 H 1 1.165 0.000 . 1 . . . . . 379 T QG2 . 27839 1 731 . 1 . 1 70 70 THR HG22 H 1 1.165 0.000 . 1 . . . . . 379 T QG2 . 27839 1 732 . 1 . 1 70 70 THR HG23 H 1 1.165 0.000 . 1 . . . . . 379 T QG2 . 27839 1 733 . 1 . 1 70 70 THR C C 13 176.828 0.000 . 1 . . . . . 379 T C . 27839 1 734 . 1 . 1 70 70 THR CA C 13 61.839 0.000 . 1 . . . . . 379 T CA . 27839 1 735 . 1 . 1 70 70 THR CB C 13 71.263 0.000 . 1 . . . . . 379 T CB . 27839 1 736 . 1 . 1 70 70 THR CG2 C 13 21.388 0.000 . 1 . . . . . 379 T CG2 . 27839 1 737 . 1 . 1 70 70 THR N N 15 121.474 0.000 . 1 . . . . . 379 T N . 27839 1 738 . 1 . 1 71 71 THR H H 1 9.295 0.000 . 1 . . . . . 380 T HN . 27839 1 739 . 1 . 1 71 71 THR HA H 1 4.429 0.000 . 1 . . . . . 380 T HA . 27839 1 740 . 1 . 1 71 71 THR HB H 1 4.057 0.000 . 1 . . . . . 380 T HB . 27839 1 741 . 1 . 1 71 71 THR HG21 H 1 1.292 0.000 . 1 . . . . . 380 T QG2 . 27839 1 742 . 1 . 1 71 71 THR HG22 H 1 1.292 0.000 . 1 . . . . . 380 T QG2 . 27839 1 743 . 1 . 1 71 71 THR HG23 H 1 1.292 0.000 . 1 . . . . . 380 T QG2 . 27839 1 744 . 1 . 1 71 71 THR C C 13 177.876 0.000 . 1 . . . . . 380 T C . 27839 1 745 . 1 . 1 71 71 THR CA C 13 61.596 0.000 . 1 . . . . . 380 T CA . 27839 1 746 . 1 . 1 71 71 THR CB C 13 70.247 0.000 . 1 . . . . . 380 T CB . 27839 1 747 . 1 . 1 71 71 THR CG2 C 13 21.277 0.000 . 1 . . . . . 380 T CG2 . 27839 1 748 . 1 . 1 71 71 THR N N 15 124.865 0.000 . 1 . . . . . 380 T N . 27839 1 749 . 1 . 1 72 72 ALA H H 1 8.734 0.000 . 1 . . . . . 381 A HN . 27839 1 750 . 1 . 1 72 72 ALA HA H 1 4.428 0.000 . 1 . . . . . 381 A HA . 27839 1 751 . 1 . 1 72 72 ALA HB1 H 1 1.435 0.000 . 1 . . . . . 381 A QB . 27839 1 752 . 1 . 1 72 72 ALA HB2 H 1 1.435 0.000 . 1 . . . . . 381 A QB . 27839 1 753 . 1 . 1 72 72 ALA HB3 H 1 1.435 0.000 . 1 . . . . . 381 A QB . 27839 1 754 . 1 . 1 72 72 ALA C C 13 174.831 0.000 . 1 . . . . . 381 A C . 27839 1 755 . 1 . 1 72 72 ALA CA C 13 51.186 0.000 . 1 . . . . . 381 A CA . 27839 1 756 . 1 . 1 72 72 ALA CB C 13 17.600 0.000 . 1 . . . . . 381 A CB . 27839 1 757 . 1 . 1 72 72 ALA N N 15 129.642 0.000 . 1 . . . . . 381 A N . 27839 1 758 . 1 . 1 73 73 PRO HA H 1 4.475 0.000 . 1 . . . . . 382 P HA . 27839 1 759 . 1 . 1 73 73 PRO HB2 H 1 2.336 0.000 . 1 . . . . . 382 P QB . 27839 1 760 . 1 . 1 73 73 PRO HB3 H 1 2.336 0.000 . 1 . . . . . 382 P QB . 27839 1 761 . 1 . 1 73 73 PRO HG2 H 1 1.945 0.000 . 1 . . . . . 382 P HG2 . 27839 1 762 . 1 . 1 73 73 PRO HG3 H 1 2.075 0.000 . 1 . . . . . 382 P HG3 . 27839 1 763 . 1 . 1 73 73 PRO HD2 H 1 3.807 0.000 . 1 . . . . . 382 P HD2 . 27839 1 764 . 1 . 1 73 73 PRO HD3 H 1 3.548 0.000 . 1 . . . . . 382 P HD3 . 27839 1 765 . 1 . 1 73 73 PRO CA C 13 62.387 0.000 . 1 . . . . . 382 P CA . 27839 1 766 . 1 . 1 73 73 PRO CB C 13 33.517 0.000 . 1 . . . . . 382 P CB . 27839 1 767 . 1 . 1 73 73 PRO CG C 13 26.992 0.000 . 1 . . . . . 382 P CG . 27839 1 768 . 1 . 1 73 73 PRO CD C 13 50.589 0.000 . 1 . . . . . 382 P CD . 27839 1 769 . 1 . 1 74 74 SER H H 1 8.901 0.000 . 1 . . . . . 383 S HN . 27839 1 770 . 1 . 1 74 74 SER HA H 1 5.085 0.000 . 1 . . . . . 383 S HA . 27839 1 771 . 1 . 1 74 74 SER HB2 H 1 3.636 0.000 . 1 . . . . . 383 S HB2 . 27839 1 772 . 1 . 1 74 74 SER HB3 H 1 3.752 0.000 . 1 . . . . . 383 S HB3 . 27839 1 773 . 1 . 1 74 74 SER CA C 13 54.913 0.000 . 1 . . . . . 383 S CA . 27839 1 774 . 1 . 1 74 74 SER CB C 13 64.310 0.000 . 1 . . . . . 383 S CB . 27839 1 775 . 1 . 1 74 74 SER N N 15 116.942 0.000 . 1 . . . . . 383 S N . 27839 1 776 . 1 . 1 76 76 ARG CA C 13 54.730 0.000 . 1 . . . . . 385 R CA . 27839 1 777 . 1 . 1 76 76 ARG CB C 13 32.612 0.000 . 1 . . . . . 385 R CB . 27839 1 778 . 1 . 1 76 76 ARG CG C 13 25.273 0.000 . 1 . . . . . 385 R CG . 27839 1 779 . 1 . 1 77 77 ILE H H 1 8.888 0.000 . 1 . . . . . 386 I HN . 27839 1 780 . 1 . 1 77 77 ILE HA H 1 4.995 0.000 . 1 . . . . . 386 I HA . 27839 1 781 . 1 . 1 77 77 ILE HB H 1 1.502 0.000 . 1 . . . . . 386 I HB . 27839 1 782 . 1 . 1 77 77 ILE HG12 H 1 0.944 0.000 . 1 . . . . . 386 I HG12 . 27839 1 783 . 1 . 1 77 77 ILE HG13 H 1 1.436 0.000 . 1 . . . . . 386 I HG13 . 27839 1 784 . 1 . 1 77 77 ILE HG21 H 1 0.715 0.000 . 1 . . . . . 386 I QG2 . 27839 1 785 . 1 . 1 77 77 ILE HG22 H 1 0.715 0.000 . 1 . . . . . 386 I QG2 . 27839 1 786 . 1 . 1 77 77 ILE HG23 H 1 0.715 0.000 . 1 . . . . . 386 I QG2 . 27839 1 787 . 1 . 1 77 77 ILE HD11 H 1 0.697 0.000 . 1 . . . . . 386 I QD1 . 27839 1 788 . 1 . 1 77 77 ILE HD12 H 1 0.697 0.000 . 1 . . . . . 386 I QD1 . 27839 1 789 . 1 . 1 77 77 ILE HD13 H 1 0.697 0.000 . 1 . . . . . 386 I QD1 . 27839 1 790 . 1 . 1 77 77 ILE C C 13 175.606 0.000 . 1 . . . . . 386 I C . 27839 1 791 . 1 . 1 77 77 ILE CA C 13 60.392 0.000 . 1 . . . . . 386 I CA . 27839 1 792 . 1 . 1 77 77 ILE CB C 13 39.775 0.000 . 1 . . . . . 386 I CB . 27839 1 793 . 1 . 1 77 77 ILE CG1 C 13 26.466 0.000 . 1 . . . . . 386 I CG1 . 27839 1 794 . 1 . 1 77 77 ILE CG2 C 13 17.128 0.000 . 1 . . . . . 386 I CG2 . 27839 1 795 . 1 . 1 77 77 ILE CD1 C 13 13.075 0.000 . 1 . . . . . 386 I CD1 . 27839 1 796 . 1 . 1 77 77 ILE N N 15 126.767 0.000 . 1 . . . . . 386 I N . 27839 1 797 . 1 . 1 78 78 VAL H H 1 8.987 0.000 . 1 . . . . . 387 V HN . 27839 1 798 . 1 . 1 78 78 VAL HA H 1 4.579 0.000 . 1 . . . . . 387 V HA . 27839 1 799 . 1 . 1 78 78 VAL HB H 1 1.955 0.000 . 1 . . . . . 387 V HB . 27839 1 800 . 1 . 1 78 78 VAL C C 13 177.038 0.000 . 1 . . . . . 387 V C . 27839 1 801 . 1 . 1 78 78 VAL CA C 13 60.607 0.000 . 1 . . . . . 387 V CA . 27839 1 802 . 1 . 1 78 78 VAL CB C 13 34.780 0.000 . 1 . . . . . 387 V CB . 27839 1 803 . 1 . 1 78 78 VAL CG1 C 13 21.351 0.000 . 1 . . . . . 387 V CG# . 27839 1 804 . 1 . 1 78 78 VAL CG2 C 13 21.351 0.000 . 1 . . . . . 387 V CG# . 27839 1 805 . 1 . 1 78 78 VAL N N 15 128.472 0.000 . 1 . . . . . 387 V N . 27839 1 806 . 1 . 1 79 79 GLU H H 1 9.381 0.000 . 1 . . . . . 388 E HN . 27839 1 807 . 1 . 1 79 79 GLU HA H 1 5.399 0.000 . 1 . . . . . 388 E HA . 27839 1 808 . 1 . 1 79 79 GLU HB2 H 1 1.878 0.000 . 1 . . . . . 388 E QB . 27839 1 809 . 1 . 1 79 79 GLU HB3 H 1 1.878 0.000 . 1 . . . . . 388 E QB . 27839 1 810 . 1 . 1 79 79 GLU HG2 H 1 2.073 0.000 . 1 . . . . . 388 E HG2 . 27839 1 811 . 1 . 1 79 79 GLU HG3 H 1 2.138 0.000 . 1 . . . . . 388 E HG3 . 27839 1 812 . 1 . 1 79 79 GLU C C 13 176.424 0.000 . 1 . . . . . 388 E C . 27839 1 813 . 1 . 1 79 79 GLU CA C 13 53.908 0.000 . 1 . . . . . 388 E CA . 27839 1 814 . 1 . 1 79 79 GLU CB C 13 33.199 0.000 . 1 . . . . . 388 E CB . 27839 1 815 . 1 . 1 79 79 GLU CG C 13 37.172 0.000 . 1 . . . . . 388 E CG . 27839 1 816 . 1 . 1 79 79 GLU N N 15 125.138 0.000 . 1 . . . . . 388 E N . 27839 1 817 . 1 . 1 80 80 LYS H H 1 8.614 0.000 . 1 . . . . . 389 K HN . 27839 1 818 . 1 . 1 80 80 LYS HA H 1 5.146 0.000 . 1 . . . . . 389 K HA . 27839 1 819 . 1 . 1 80 80 LYS HB2 H 1 1.602 0.000 . 1 . . . . . 389 K HB2 . 27839 1 820 . 1 . 1 80 80 LYS HB3 H 1 1.648 0.000 . 1 . . . . . 389 K HB3 . 27839 1 821 . 1 . 1 80 80 LYS HG2 H 1 1.373 0.000 . 1 . . . . . 389 K HG2 . 27839 1 822 . 1 . 1 80 80 LYS HG3 H 1 1.278 0.000 . 1 . . . . . 389 K HG3 . 27839 1 823 . 1 . 1 80 80 LYS C C 13 174.592 0.000 . 1 . . . . . 389 K C . 27839 1 824 . 1 . 1 80 80 LYS CA C 13 53.899 0.000 . 1 . . . . . 389 K CA . 27839 1 825 . 1 . 1 80 80 LYS CB C 13 35.867 0.000 . 1 . . . . . 389 K CB . 27839 1 826 . 1 . 1 80 80 LYS CG C 13 25.330 0.000 . 1 . . . . . 389 K CG . 27839 1 827 . 1 . 1 80 80 LYS CD C 13 29.657 0.000 . 1 . . . . . 389 K CD . 27839 1 828 . 1 . 1 80 80 LYS N N 15 123.283 0.000 . 1 . . . . . 389 K N . 27839 1 829 . 1 . 1 81 81 GLY H H 1 8.845 0.000 . 1 . . . . . 390 G HN . 27839 1 830 . 1 . 1 81 81 GLY HA2 H 1 4.620 0.000 . 1 . . . . . 390 G HA1 . 27839 1 831 . 1 . 1 81 81 GLY HA3 H 1 3.495 0.000 . 1 . . . . . 390 G HA2 . 27839 1 832 . 1 . 1 81 81 GLY C C 13 175.359 0.000 . 1 . . . . . 390 G C . 27839 1 833 . 1 . 1 81 81 GLY CA C 13 47.306 0.000 . 1 . . . . . 390 G CA . 27839 1 834 . 1 . 1 81 81 GLY N N 15 112.341 0.000 . 1 . . . . . 390 G N . 27839 1 835 . 1 . 1 82 82 THR H H 1 7.754 0.000 . 1 . . . . . 391 T HN . 27839 1 836 . 1 . 1 82 82 THR HA H 1 4.661 0.000 . 1 . . . . . 391 T HA . 27839 1 837 . 1 . 1 82 82 THR HB H 1 4.550 0.000 . 1 . . . . . 391 T HB . 27839 1 838 . 1 . 1 82 82 THR HG21 H 1 1.045 0.000 . 1 . . . . . 391 T QG2 . 27839 1 839 . 1 . 1 82 82 THR HG22 H 1 1.045 0.000 . 1 . . . . . 391 T QG2 . 27839 1 840 . 1 . 1 82 82 THR HG23 H 1 1.045 0.000 . 1 . . . . . 391 T QG2 . 27839 1 841 . 1 . 1 82 82 THR C C 13 176.358 0.000 . 1 . . . . . 391 T C . 27839 1 842 . 1 . 1 82 82 THR CA C 13 60.529 0.000 . 1 . . . . . 391 T CA . 27839 1 843 . 1 . 1 82 82 THR CB C 13 69.626 0.000 . 1 . . . . . 391 T CB . 27839 1 844 . 1 . 1 82 82 THR CG2 C 13 22.128 0.000 . 1 . . . . . 391 T CG2 . 27839 1 845 . 1 . 1 82 82 THR N N 15 112.324 0.000 . 1 . . . . . 391 T N . 27839 1 846 . 1 . 1 83 83 LYS H H 1 8.721 0.000 . 1 . . . . . 392 K HN . 27839 1 847 . 1 . 1 83 83 LYS HA H 1 4.188 0.000 . 1 . . . . . 392 K HA . 27839 1 848 . 1 . 1 83 83 LYS HB2 H 1 1.408 0.000 . 1 . . . . . 392 K HB2 . 27839 1 849 . 1 . 1 83 83 LYS HB3 H 1 1.631 0.000 . 1 . . . . . 392 K HB3 . 27839 1 850 . 1 . 1 83 83 LYS HG2 H 1 1.460 0.000 . 1 . . . . . 392 K QG . 27839 1 851 . 1 . 1 83 83 LYS HG3 H 1 1.460 0.000 . 1 . . . . . 392 K QG . 27839 1 852 . 1 . 1 83 83 LYS C C 13 174.892 0.000 . 1 . . . . . 392 K C . 27839 1 853 . 1 . 1 83 83 LYS CA C 13 58.459 0.000 . 1 . . . . . 392 K CA . 27839 1 854 . 1 . 1 83 83 LYS CB C 13 33.192 0.000 . 1 . . . . . 392 K CB . 27839 1 855 . 1 . 1 83 83 LYS CG C 13 24.732 0.000 . 1 . . . . . 392 K CG . 27839 1 856 . 1 . 1 83 83 LYS CD C 13 29.664 0.000 . 1 . . . . . 392 K CD . 27839 1 857 . 1 . 1 83 83 LYS N N 15 125.523 0.000 . 1 . . . . . 392 K N . 27839 1 858 . 1 . 1 84 84 LYS H H 1 8.379 0.000 . 1 . . . . . 393 K HN . 27839 1 859 . 1 . 1 84 84 LYS HA H 1 4.193 0.000 . 1 . . . . . 393 K HA . 27839 1 860 . 1 . 1 84 84 LYS HB2 H 1 1.847 0.000 . 1 . . . . . 393 K HB2 . 27839 1 861 . 1 . 1 84 84 LYS HB3 H 1 1.693 0.000 . 1 . . . . . 393 K HB3 . 27839 1 862 . 1 . 1 84 84 LYS HG2 H 1 1.457 0.000 . 1 . . . . . 393 K QG . 27839 1 863 . 1 . 1 84 84 LYS HG3 H 1 1.457 0.000 . 1 . . . . . 393 K QG . 27839 1 864 . 1 . 1 84 84 LYS HE2 H 1 3.012 0.000 . 1 . . . . . 393 K HE2 . 27839 1 865 . 1 . 1 84 84 LYS HE3 H 1 2.984 0.000 . 1 . . . . . 393 K HE3 . 27839 1 866 . 1 . 1 84 84 LYS CA C 13 58.240 0.000 . 1 . . . . . 393 K CA . 27839 1 867 . 1 . 1 84 84 LYS CB C 13 33.629 0.000 . 1 . . . . . 393 K CB . 27839 1 868 . 1 . 1 84 84 LYS N N 15 134.884 0.000 . 1 . . . . . 393 K N . 27839 1 stop_ save_