data_26725 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26725 _Entry.Title ; MtRpsA_S4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-08 _Entry.Accession_date 2016-01-08 _Entry.Last_release_date 2016-02-16 _Entry.Original_release_date 2016-02-16 _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 'Bruker 850MHz' _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 Huang Biling . . . . 26725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 26725 '15N chemical shifts' 87 26725 '1H chemical shifts' 691 26725 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 . . 2016-09-29 2016-01-08 update BMRB 'update entry citation' 26725 1 . . 2016-02-16 2016-01-08 original author 'original release' 26725 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26725 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27412769 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N, (13)C resonance assignments for pyrazinoic acid binding domain of ribosomal protein S1 from Mycobacterium tuberculosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 321 _Citation.Page_last 324 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Biling Huang . . . . 26725 1 2 Jinglin Fu . . . . 26725 1 3 Chenyun Guo . . . . 26725 1 4 Xueji Wu . . . . 26725 1 5 Donghai Lin . . . . 26725 1 6 Xinli Liao . . . . 26725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26725 _Assembly.ID 1 _Assembly.Name MtRpsA_S4 _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 MtRpsA_S4 1 $MtRpsA_S4 A . yes native no no . . . 26725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MtRpsA_S4 _Entity.Sf_category entity _Entity.Sf_framecode MtRpsA_S4 _Entity.Entry_ID 26725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; QEDPWRHFARTHAIGQIVPG KVTKLVPFGAFVRVEEGIEG LVHISELAERHVEVPDQVVA VGDDAMVKVIDIDLERRRIS LSLKQANED ; _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 89 _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 1 280 GLN . 26725 1 2 281 GLU . 26725 1 3 282 ASP . 26725 1 4 283 PRO . 26725 1 5 284 TRP . 26725 1 6 285 ARG . 26725 1 7 286 HIS . 26725 1 8 287 PHE . 26725 1 9 288 ALA . 26725 1 10 289 ARG . 26725 1 11 290 THR . 26725 1 12 291 HIS . 26725 1 13 292 ALA . 26725 1 14 293 ILE . 26725 1 15 294 GLY . 26725 1 16 295 GLN . 26725 1 17 296 ILE . 26725 1 18 297 VAL . 26725 1 19 298 PRO . 26725 1 20 299 GLY . 26725 1 21 300 LYS . 26725 1 22 301 VAL . 26725 1 23 302 THR . 26725 1 24 303 LYS . 26725 1 25 304 LEU . 26725 1 26 305 VAL . 26725 1 27 306 PRO . 26725 1 28 307 PHE . 26725 1 29 308 GLY . 26725 1 30 309 ALA . 26725 1 31 310 PHE . 26725 1 32 311 VAL . 26725 1 33 312 ARG . 26725 1 34 313 VAL . 26725 1 35 314 GLU . 26725 1 36 315 GLU . 26725 1 37 316 GLY . 26725 1 38 317 ILE . 26725 1 39 318 GLU . 26725 1 40 319 GLY . 26725 1 41 320 LEU . 26725 1 42 321 VAL . 26725 1 43 322 HIS . 26725 1 44 323 ILE . 26725 1 45 324 SER . 26725 1 46 325 GLU . 26725 1 47 326 LEU . 26725 1 48 327 ALA . 26725 1 49 328 GLU . 26725 1 50 329 ARG . 26725 1 51 330 HIS . 26725 1 52 331 VAL . 26725 1 53 332 GLU . 26725 1 54 333 VAL . 26725 1 55 334 PRO . 26725 1 56 335 ASP . 26725 1 57 336 GLN . 26725 1 58 337 VAL . 26725 1 59 338 VAL . 26725 1 60 339 ALA . 26725 1 61 340 VAL . 26725 1 62 341 GLY . 26725 1 63 342 ASP . 26725 1 64 343 ASP . 26725 1 65 344 ALA . 26725 1 66 345 MET . 26725 1 67 346 VAL . 26725 1 68 347 LYS . 26725 1 69 348 VAL . 26725 1 70 349 ILE . 26725 1 71 350 ASP . 26725 1 72 351 ILE . 26725 1 73 352 ASP . 26725 1 74 353 LEU . 26725 1 75 354 GLU . 26725 1 76 355 ARG . 26725 1 77 356 ARG . 26725 1 78 357 ARG . 26725 1 79 358 ILE . 26725 1 80 359 SER . 26725 1 81 360 LEU . 26725 1 82 361 SER . 26725 1 83 362 LEU . 26725 1 84 363 LYS . 26725 1 85 364 GLN . 26725 1 86 365 ALA . 26725 1 87 366 ASN . 26725 1 88 367 GLU . 26725 1 89 368 ASP . 26725 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 . GLN 1 1 26725 1 . GLU 2 2 26725 1 . ASP 3 3 26725 1 . PRO 4 4 26725 1 . TRP 5 5 26725 1 . ARG 6 6 26725 1 . HIS 7 7 26725 1 . PHE 8 8 26725 1 . ALA 9 9 26725 1 . ARG 10 10 26725 1 . THR 11 11 26725 1 . HIS 12 12 26725 1 . ALA 13 13 26725 1 . ILE 14 14 26725 1 . GLY 15 15 26725 1 . GLN 16 16 26725 1 . ILE 17 17 26725 1 . VAL 18 18 26725 1 . PRO 19 19 26725 1 . GLY 20 20 26725 1 . LYS 21 21 26725 1 . VAL 22 22 26725 1 . THR 23 23 26725 1 . LYS 24 24 26725 1 . LEU 25 25 26725 1 . VAL 26 26 26725 1 . PRO 27 27 26725 1 . PHE 28 28 26725 1 . GLY 29 29 26725 1 . ALA 30 30 26725 1 . PHE 31 31 26725 1 . VAL 32 32 26725 1 . ARG 33 33 26725 1 . VAL 34 34 26725 1 . GLU 35 35 26725 1 . GLU 36 36 26725 1 . GLY 37 37 26725 1 . ILE 38 38 26725 1 . GLU 39 39 26725 1 . GLY 40 40 26725 1 . LEU 41 41 26725 1 . VAL 42 42 26725 1 . HIS 43 43 26725 1 . ILE 44 44 26725 1 . SER 45 45 26725 1 . GLU 46 46 26725 1 . LEU 47 47 26725 1 . ALA 48 48 26725 1 . GLU 49 49 26725 1 . ARG 50 50 26725 1 . HIS 51 51 26725 1 . VAL 52 52 26725 1 . GLU 53 53 26725 1 . VAL 54 54 26725 1 . PRO 55 55 26725 1 . ASP 56 56 26725 1 . GLN 57 57 26725 1 . VAL 58 58 26725 1 . VAL 59 59 26725 1 . ALA 60 60 26725 1 . VAL 61 61 26725 1 . GLY 62 62 26725 1 . ASP 63 63 26725 1 . ASP 64 64 26725 1 . ALA 65 65 26725 1 . MET 66 66 26725 1 . VAL 67 67 26725 1 . LYS 68 68 26725 1 . VAL 69 69 26725 1 . ILE 70 70 26725 1 . ASP 71 71 26725 1 . ILE 72 72 26725 1 . ASP 73 73 26725 1 . LEU 74 74 26725 1 . GLU 75 75 26725 1 . ARG 76 76 26725 1 . ARG 77 77 26725 1 . ARG 78 78 26725 1 . ILE 79 79 26725 1 . SER 80 80 26725 1 . LEU 81 81 26725 1 . SER 82 82 26725 1 . LEU 83 83 26725 1 . LYS 84 84 26725 1 . GLN 85 85 26725 1 . ALA 86 86 26725 1 . ASN 87 87 26725 1 . GLU 88 88 26725 1 . ASP 89 89 26725 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 26725 _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 $MtRpsA_S4 . 1773 organism . 'Mycobacterium tuberculosis' 'high GC Gram+' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . 26725 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 26725 _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 $MtRpsA_S4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-22b . . . 26725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26725 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MtRpsA_S4 '[U-100% 13C; U-100% 15N]' . . 1 $MtRpsA_S4 . . 0.6 . . mM . . . . 26725 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26725 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26725 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 26725 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 . pH 26725 1 pressure 1 . atm 26725 1 temperature 298 . K 26725 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26725 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26725 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26725 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 26725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26725 _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 . 850 . . . 26725 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 26725 _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 . . . . . . . . . . . . . . . . 26725 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 26725 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 26725 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 26725 1 N 15 water nitrogen . . . . ppm 0 internal direct 1 . . . . . 26725 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 26725 _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 . _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' . . . 26725 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 GLN H H 1 6.944 . . . . . . . 280 Q H . 26725 1 2 . 1 1 1 1 GLN HA H 1 4.398 . . . . . . . 280 Q HA . 26725 1 3 . 1 1 1 1 GLN HB2 H 1 2.041 . . . . . . . 280 Q HB2 . 26725 1 4 . 1 1 1 1 GLN HB3 H 1 2.360 . . . . . . . 280 Q HB3 . 26725 1 5 . 1 1 1 1 GLN HG2 H 1 2.394 . . . . . . . 280 Q HG2 . 26725 1 6 . 1 1 1 1 GLN HG3 H 1 2.100 . . . . . . . 280 Q HG3 . 26725 1 7 . 1 1 1 1 GLN C C 13 171.967 . . . . . . . 280 Q C . 26725 1 8 . 1 1 1 1 GLN CA C 13 53.220 . . . . . . . 280 Q CA . 26725 1 9 . 1 1 1 1 GLN CB C 13 26.911 . . . . . . . 280 Q CB . 26725 1 10 . 1 1 1 1 GLN CG C 13 31.046 . . . . . . . 280 Q CG . 26725 1 11 . 1 1 1 1 GLN N N 15 114.187 . . . . . . . 280 Q N . 26725 1 12 . 1 1 2 2 GLU H H 1 8.554 . . . . . . . 281 E H . 26725 1 13 . 1 1 2 2 GLU HA H 1 4.314 . . . . . . . 281 E HA . 26725 1 14 . 1 1 2 2 GLU HB2 H 1 1.976 . . . . . . . 281 E HB2 . 26725 1 15 . 1 1 2 2 GLU HB3 H 1 2.546 . . . . . . . 281 E HB3 . 26725 1 16 . 1 1 2 2 GLU HG2 H 1 1.964 . . . . . . . 281 E HG2 . 26725 1 17 . 1 1 2 2 GLU HG3 H 1 1.285 . . . . . . . 281 E HG3 . 26725 1 18 . 1 1 2 2 GLU HE2 H 1 4.813 . . . . . . . 281 E HE2 . 26725 1 19 . 1 1 2 2 GLU C C 13 172.161 . . . . . . . 281 E C . 26725 1 20 . 1 1 2 2 GLU CA C 13 53.509 . . . . . . . 281 E CA . 26725 1 21 . 1 1 2 2 GLU CB C 13 28.250 . . . . . . . 281 E CB . 26725 1 22 . 1 1 2 2 GLU CG C 13 33.590 . . . . . . . 281 E CG . 26725 1 23 . 1 1 2 2 GLU N N 15 124.142 . . . . . . . 281 E N . 26725 1 24 . 1 1 3 3 ASP H H 1 8.650 . . . . . . . 282 D H . 26725 1 25 . 1 1 3 3 ASP HA H 1 4.915 . . . . . . . 282 D HA . 26725 1 26 . 1 1 3 3 ASP HB2 H 1 2.957 . . . . . . . 282 D HB2 . 26725 1 27 . 1 1 3 3 ASP HB3 H 1 2.831 . . . . . . . 282 D HB3 . 26725 1 28 . 1 1 3 3 ASP HD2 H 1 4.136 . . . . . . . 282 D HD2 . 26725 1 29 . 1 1 3 3 ASP C C 13 171.864 . . . . . . . 282 D C . 26725 1 30 . 1 1 3 3 ASP CA C 13 49.841 . . . . . . . 282 D CA . 26725 1 31 . 1 1 3 3 ASP CB C 13 39.583 . . . . . . . 282 D CB . 26725 1 32 . 1 1 3 3 ASP N N 15 125.358 . . . . . . . 282 D N . 26725 1 33 . 1 1 4 4 PRO HA H 1 4.646 . . . . . . . 283 P HA . 26725 1 34 . 1 1 4 4 PRO HB2 H 1 3.161 . . . . . . . 283 P HB2 . 26725 1 35 . 1 1 4 4 PRO HB3 H 1 3.068 . . . . . . . 283 P HB3 . 26725 1 36 . 1 1 4 4 PRO HG2 H 1 3.141 . . . . . . . 283 P HG2 . 26725 1 37 . 1 1 4 4 PRO HG3 H 1 3.068 . . . . . . . 283 P HG3 . 26725 1 38 . 1 1 4 4 PRO HD2 H 1 2.411 . . . . . . . 283 P HD2 . 26725 1 39 . 1 1 4 4 PRO HD3 H 1 2.325 . . . . . . . 283 P HD3 . 26725 1 40 . 1 1 4 4 PRO C C 13 170.273 . . . . . . . 283 P C . 26725 1 41 . 1 1 4 4 PRO CA C 13 53.175 . . . . . . . 283 P CA . 26725 1 42 . 1 1 4 4 PRO CB C 13 27.062 . . . . . . . 283 P CB . 26725 1 43 . 1 1 4 4 PRO CG C 13 27.212 . . . . . . . 283 P CG . 26725 1 44 . 1 1 5 5 TRP H H 1 8.222 . . . . . . . 284 W H . 26725 1 45 . 1 1 5 5 TRP HA H 1 4.466 . . . . . . . 284 W HA . 26725 1 46 . 1 1 5 5 TRP HB2 H 1 3.185 . . . . . . . 284 W HB2 . 26725 1 47 . 1 1 5 5 TRP HB3 H 1 4.747 . . . . . . . 284 W HB3 . 26725 1 48 . 1 1 5 5 TRP HD1 H 1 7.293 . . . . . . . 284 W HD1 . 26725 1 49 . 1 1 5 5 TRP HE1 H 1 10.163 . . . . . . . 284 W HE1 . 26725 1 50 . 1 1 5 5 TRP HE3 H 1 7.433 . . . . . . . 284 W HE3 . 26725 1 51 . 1 1 5 5 TRP HZ2 H 1 7.099 . . . . . . . 284 W HZ2 . 26725 1 52 . 1 1 5 5 TRP C C 13 175.544 . . . . . . . 284 W C . 26725 1 53 . 1 1 5 5 TRP CA C 13 54.540 . . . . . . . 284 W CA . 26725 1 54 . 1 1 5 5 TRP CB C 13 27.291 . . . . . . . 284 W CB . 26725 1 55 . 1 1 5 5 TRP N N 15 125.414 . . . . . . . 284 W N . 26725 1 56 . 1 1 5 5 TRP NE1 N 15 129.274 . . . . . . . 284 W NE1 . 26725 1 57 . 1 1 6 6 ARG HA H 1 4.066 . . . . . . . 285 R HA . 26725 1 58 . 1 1 6 6 ARG HB2 H 1 2.052 . . . . . . . 285 R HB2 . 26725 1 59 . 1 1 6 6 ARG HB3 H 1 2.887 . . . . . . . 285 R HB3 . 26725 1 60 . 1 1 6 6 ARG HG2 H 1 1.939 . . . . . . . 285 R HG2 . 26725 1 61 . 1 1 6 6 ARG HG3 H 1 1.767 . . . . . . . 285 R HG3 . 26725 1 62 . 1 1 6 6 ARG HD2 H 1 3.372 . . . . . . . 285 R HD2 . 26725 1 63 . 1 1 6 6 ARG HD3 H 1 3.227 . . . . . . . 285 R HD3 . 26725 1 64 . 1 1 6 6 ARG HH11 H 1 8.633 . . . . . . . 285 R HH11 . 26725 1 65 . 1 1 6 6 ARG HH12 H 1 8.569 . . . . . . . 285 R HH12 . 26725 1 66 . 1 1 6 6 ARG C C 13 176.022 . . . . . . . 285 R C . 26725 1 67 . 1 1 6 6 ARG CA C 13 57.114 . . . . . . . 285 R CA . 26725 1 68 . 1 1 6 6 ARG CB C 13 27.035 . . . . . . . 285 R CB . 26725 1 69 . 1 1 6 6 ARG CG C 13 25.904 . . . . . . . 285 R CG . 26725 1 70 . 1 1 6 6 ARG CD C 13 40.650 . . . . . . . 285 R CD . 26725 1 71 . 1 1 7 7 HIS H H 1 8.585 . . . . . . . 286 H H . 26725 1 72 . 1 1 7 7 HIS HA H 1 4.223 . . . . . . . 286 H HA . 26725 1 73 . 1 1 7 7 HIS HB2 H 1 3.226 . . . . . . . 286 H HB2 . 26725 1 74 . 1 1 7 7 HIS HB3 H 1 3.179 . . . . . . . 286 H HB3 . 26725 1 75 . 1 1 7 7 HIS HD1 H 1 7.931 . . . . . . . 286 H HD1 . 26725 1 76 . 1 1 7 7 HIS HD2 H 1 8.150 . . . . . . . 286 H HD2 . 26725 1 77 . 1 1 7 7 HIS HE1 H 1 7.224 . . . . . . . 286 H HE1 . 26725 1 78 . 1 1 7 7 HIS C C 13 174.494 . . . . . . . 286 H C . 26725 1 79 . 1 1 7 7 HIS CA C 13 57.411 . . . . . . . 286 H CA . 26725 1 80 . 1 1 7 7 HIS CB C 13 26.557 . . . . . . . 286 H CB . 26725 1 81 . 1 1 7 7 HIS N N 15 117.966 . . . . . . . 286 H N . 26725 1 82 . 1 1 8 8 PHE H H 1 8.541 . . . . . . . 287 F H . 26725 1 83 . 1 1 8 8 PHE HA H 1 3.948 . . . . . . . 287 F HA . 26725 1 84 . 1 1 8 8 PHE HB2 H 1 3.009 . . . . . . . 287 F HB2 . 26725 1 85 . 1 1 8 8 PHE HB3 H 1 3.053 . . . . . . . 287 F HB3 . 26725 1 86 . 1 1 8 8 PHE HD1 H 1 6.808 . . . . . . . 287 F HD1 . 26725 1 87 . 1 1 8 8 PHE HD2 H 1 6.797 . . . . . . . 287 F HD2 . 26725 1 88 . 1 1 8 8 PHE HE2 H 1 6.693 . . . . . . . 287 F HE2 . 26725 1 89 . 1 1 8 8 PHE HZ H 1 6.550 . . . . . . . 287 F HZ . 26725 1 90 . 1 1 8 8 PHE C C 13 175.110 . . . . . . . 287 F C . 26725 1 91 . 1 1 8 8 PHE CA C 13 59.709 . . . . . . . 287 F CA . 26725 1 92 . 1 1 8 8 PHE CB C 13 36.357 . . . . . . . 287 F CB . 26725 1 93 . 1 1 8 8 PHE N N 15 121.921 . . . . . . . 287 F N . 26725 1 94 . 1 1 9 9 ALA H H 1 8.520 . . . . . . . 288 A H . 26725 1 95 . 1 1 9 9 ALA HA H 1 4.049 . . . . . . . 288 A HA . 26725 1 96 . 1 1 9 9 ALA HB1 H 1 1.614 . . . . . . . 288 A HB* . 26725 1 97 . 1 1 9 9 ALA HB2 H 1 1.614 . . . . . . . 288 A HB* . 26725 1 98 . 1 1 9 9 ALA HB3 H 1 1.614 . . . . . . . 288 A HB* . 26725 1 99 . 1 1 9 9 ALA C C 13 174.442 . . . . . . . 288 A C . 26725 1 100 . 1 1 9 9 ALA CA C 13 52.066 . . . . . . . 288 A CA . 26725 1 101 . 1 1 9 9 ALA CB C 13 16.270 . . . . . . . 288 A CB . 26725 1 102 . 1 1 9 9 ALA N N 15 121.248 . . . . . . . 288 A N . 26725 1 103 . 1 1 10 10 ARG H H 1 7.815 . . . . . . . 289 R H . 26725 1 104 . 1 1 10 10 ARG HA H 1 4.318 . . . . . . . 289 R HA . 26725 1 105 . 1 1 10 10 ARG HB2 H 1 1.905 . . . . . . . 289 R HB2 . 26725 1 106 . 1 1 10 10 ARG HB3 H 1 1.573 . . . . . . . 289 R HB3 . 26725 1 107 . 1 1 10 10 ARG HG2 H 1 1.813 . . . . . . . 289 R HG2 . 26725 1 108 . 1 1 10 10 ARG HG3 H 1 0.875 . . . . . . . 289 R HG3 . 26725 1 109 . 1 1 10 10 ARG HD2 H 1 3.671 . . . . . . . 289 R HD2 . 26725 1 110 . 1 1 10 10 ARG HD3 H 1 3.148 . . . . . . . 289 R HD3 . 26725 1 111 . 1 1 10 10 ARG HE H 1 8.153 . . . . . . . 289 R HE . 26725 1 112 . 1 1 10 10 ARG HH11 H 1 7.204 . . . . . . . 289 R HH11 . 26725 1 113 . 1 1 10 10 ARG C C 13 174.003 . . . . . . . 289 R C . 26725 1 114 . 1 1 10 10 ARG CA C 13 55.060 . . . . . . . 289 R CA . 26725 1 115 . 1 1 10 10 ARG CB C 13 27.715 . . . . . . . 289 R CB . 26725 1 116 . 1 1 10 10 ARG CG C 13 24.920 . . . . . . . 289 R CG . 26725 1 117 . 1 1 10 10 ARG CD C 13 40.665 . . . . . . . 289 R CD . 26725 1 118 . 1 1 10 10 ARG N N 15 113.975 . . . . . . . 289 R N . 26725 1 119 . 1 1 11 11 THR H H 1 7.207 . . . . . . . 290 T H . 26725 1 120 . 1 1 11 11 THR HA H 1 4.243 . . . . . . . 290 T HA . 26725 1 121 . 1 1 11 11 THR HB H 1 4.000 . . . . . . . 290 T HB . 26725 1 122 . 1 1 11 11 THR HG1 H 1 4.189 . . . . . . . 290 T HG1 . 26725 1 123 . 1 1 11 11 THR HG21 H 1 0.838 . . . . . . . 290 T HG2* . 26725 1 124 . 1 1 11 11 THR HG22 H 1 0.838 . . . . . . . 290 T HG2* . 26725 1 125 . 1 1 11 11 THR HG23 H 1 0.838 . . . . . . . 290 T HG2* . 26725 1 126 . 1 1 11 11 THR C C 13 170.354 . . . . . . . 290 T C . 26725 1 127 . 1 1 11 11 THR CA C 13 58.575 . . . . . . . 290 T CA . 26725 1 128 . 1 1 11 11 THR CB C 13 67.781 . . . . . . . 290 T CB . 26725 1 129 . 1 1 11 11 THR CG2 C 13 18.668 . . . . . . . 290 T CG2 . 26725 1 130 . 1 1 11 11 THR N N 15 105.803 . . . . . . . 290 T N . 26725 1 131 . 1 1 12 12 HIS H H 1 7.242 . . . . . . . 291 H H . 26725 1 132 . 1 1 12 12 HIS HA H 1 4.860 . . . . . . . 291 H HA . 26725 1 133 . 1 1 12 12 HIS HB2 H 1 1.928 . . . . . . . 291 H HB2 . 26725 1 134 . 1 1 12 12 HIS HB3 H 1 2.445 . . . . . . . 291 H HB3 . 26725 1 135 . 1 1 12 12 HIS HD1 H 1 7.806 . . . . . . . 291 H HD1 . 26725 1 136 . 1 1 12 12 HIS HE1 H 1 8.418 . . . . . . . 291 H HE1 . 26725 1 137 . 1 1 12 12 HIS C C 13 167.873 . . . . . . . 291 H C . 26725 1 138 . 1 1 12 12 HIS CA C 13 52.151 . . . . . . . 291 H CA . 26725 1 139 . 1 1 12 12 HIS CB C 13 27.600 . . . . . . . 291 H CB . 26725 1 140 . 1 1 12 12 HIS N N 15 118.534 . . . . . . . 291 H N . 26725 1 141 . 1 1 13 13 ALA H H 1 7.902 . . . . . . . 292 A H . 26725 1 142 . 1 1 13 13 ALA HA H 1 4.587 . . . . . . . 292 A HA . 26725 1 143 . 1 1 13 13 ALA HB1 H 1 1.305 . . . . . . . 292 A HB* . 26725 1 144 . 1 1 13 13 ALA HB2 H 1 1.305 . . . . . . . 292 A HB* . 26725 1 145 . 1 1 13 13 ALA HB3 H 1 1.305 . . . . . . . 292 A HB* . 26725 1 146 . 1 1 13 13 ALA C C 13 173.801 . . . . . . . 292 A C . 26725 1 147 . 1 1 13 13 ALA CA C 13 47.586 . . . . . . . 292 A CA . 26725 1 148 . 1 1 13 13 ALA CB C 13 18.747 . . . . . . . 292 A CB . 26725 1 149 . 1 1 13 13 ALA N N 15 121.550 . . . . . . . 292 A N . 26725 1 150 . 1 1 14 14 ILE H H 1 8.425 . . . . . . . 293 I H . 26725 1 151 . 1 1 14 14 ILE HA H 1 3.574 . . . . . . . 293 I HA . 26725 1 152 . 1 1 14 14 ILE HB H 1 1.840 . . . . . . . 293 I HB . 26725 1 153 . 1 1 14 14 ILE HG12 H 1 1.219 . . . . . . . 293 I HG12 . 26725 1 154 . 1 1 14 14 ILE HG13 H 1 1.714 . . . . . . . 293 I HG13 . 26725 1 155 . 1 1 14 14 ILE HG21 H 1 0.948 . . . . . . . 293 I HG2* . 26725 1 156 . 1 1 14 14 ILE HG22 H 1 0.948 . . . . . . . 293 I HG2* . 26725 1 157 . 1 1 14 14 ILE HG23 H 1 0.948 . . . . . . . 293 I HG2* . 26725 1 158 . 1 1 14 14 ILE HD11 H 1 1.016 . . . . . . . 293 I HD1* . 26725 1 159 . 1 1 14 14 ILE HD12 H 1 1.016 . . . . . . . 293 I HD1* . 26725 1 160 . 1 1 14 14 ILE HD13 H 1 1.016 . . . . . . . 293 I HD1* . 26725 1 161 . 1 1 14 14 ILE C C 13 173.978 . . . . . . . 293 I C . 26725 1 162 . 1 1 14 14 ILE CA C 13 60.566 . . . . . . . 293 I CA . 26725 1 163 . 1 1 14 14 ILE CB C 13 33.868 . . . . . . . 293 I CB . 26725 1 164 . 1 1 14 14 ILE CG1 C 13 25.847 . . . . . . . 293 I CG1 . 26725 1 165 . 1 1 14 14 ILE CG2 C 13 15.108 . . . . . . . 293 I CG2 . 26725 1 166 . 1 1 14 14 ILE CD1 C 13 9.787 . . . . . . . 293 I CD1 . 26725 1 167 . 1 1 14 14 ILE N N 15 119.802 . . . . . . . 293 I N . 26725 1 168 . 1 1 15 15 GLY H H 1 9.326 . . . . . . . 294 G H . 26725 1 169 . 1 1 15 15 GLY HA2 H 1 4.518 . . . . . . . 294 G HA2 . 26725 1 170 . 1 1 15 15 GLY HA3 H 1 3.429 . . . . . . . 294 G HA3 . 26725 1 171 . 1 1 15 15 GLY C C 13 171.267 . . . . . . . 294 G C . 26725 1 172 . 1 1 15 15 GLY CA C 13 42.057 . . . . . . . 294 G CA . 26725 1 173 . 1 1 15 15 GLY N N 15 117.181 . . . . . . . 294 G N . 26725 1 174 . 1 1 16 16 GLN H H 1 7.904 . . . . . . . 295 Q H . 26725 1 175 . 1 1 16 16 GLN HA H 1 4.258 . . . . . . . 295 Q HA . 26725 1 176 . 1 1 16 16 GLN HB2 H 1 2.040 . . . . . . . 295 Q HB2 . 26725 1 177 . 1 1 16 16 GLN HB3 H 1 2.276 . . . . . . . 295 Q HB3 . 26725 1 178 . 1 1 16 16 GLN HG2 H 1 2.449 . . . . . . . 295 Q HG2 . 26725 1 179 . 1 1 16 16 GLN HG3 H 1 2.552 . . . . . . . 295 Q HG3 . 26725 1 180 . 1 1 16 16 GLN HE21 H 1 7.636 . . . . . . . 295 Q HE21 . 26725 1 181 . 1 1 16 16 GLN HE22 H 1 7.027 . . . . . . . 295 Q HE22 . 26725 1 182 . 1 1 16 16 GLN C C 13 171.769 . . . . . . . 295 Q C . 26725 1 183 . 1 1 16 16 GLN CA C 13 53.789 . . . . . . . 295 Q CA . 26725 1 184 . 1 1 16 16 GLN CB C 13 27.576 . . . . . . . 295 Q CB . 26725 1 185 . 1 1 16 16 GLN CG C 13 31.668 . . . . . . . 295 Q CG . 26725 1 186 . 1 1 16 16 GLN N N 15 121.526 . . . . . . . 295 Q N . 26725 1 187 . 1 1 16 16 GLN NE2 N 15 111.230 . . . . . . . 295 Q NE2 . 26725 1 188 . 1 1 17 17 ILE H H 1 8.600 . . . . . . . 296 I H . 26725 1 189 . 1 1 17 17 ILE HA H 1 4.958 . . . . . . . 296 I HA . 26725 1 190 . 1 1 17 17 ILE HB H 1 1.769 . . . . . . . 296 I HB . 26725 1 191 . 1 1 17 17 ILE HG13 H 1 0.813 . . . . . . . 296 I HG13 . 26725 1 192 . 1 1 17 17 ILE HG21 H 1 0.790 . . . . . . . 296 I HG2* . 26725 1 193 . 1 1 17 17 ILE HG22 H 1 0.790 . . . . . . . 296 I HG2* . 26725 1 194 . 1 1 17 17 ILE HG23 H 1 0.790 . . . . . . . 296 I HG2* . 26725 1 195 . 1 1 17 17 ILE HD11 H 1 0.986 . . . . . . . 296 I HD1* . 26725 1 196 . 1 1 17 17 ILE HD12 H 1 0.986 . . . . . . . 296 I HD1* . 26725 1 197 . 1 1 17 17 ILE HD13 H 1 0.986 . . . . . . . 296 I HD1* . 26725 1 198 . 1 1 17 17 ILE C C 13 172.808 . . . . . . . 296 I C . 26725 1 199 . 1 1 17 17 ILE CA C 13 57.542 . . . . . . . 296 I CA . 26725 1 200 . 1 1 17 17 ILE CB C 13 35.422 . . . . . . . 296 I CB . 26725 1 201 . 1 1 17 17 ILE CG1 C 13 25.708 . . . . . . . 296 I CG1 . 26725 1 202 . 1 1 17 17 ILE CG2 C 13 15.774 . . . . . . . 296 I CG2 . 26725 1 203 . 1 1 17 17 ILE CD1 C 13 10.788 . . . . . . . 296 I CD1 . 26725 1 204 . 1 1 17 17 ILE N N 15 124.405 . . . . . . . 296 I N . 26725 1 205 . 1 1 18 18 VAL H H 1 9.416 . . . . . . . 297 V H . 26725 1 206 . 1 1 18 18 VAL HA H 1 5.076 . . . . . . . 297 V HA . 26725 1 207 . 1 1 18 18 VAL HB H 1 2.456 . . . . . . . 297 V HB . 26725 1 208 . 1 1 18 18 VAL HG11 H 1 0.923 . . . . . . . 297 V HG1* . 26725 1 209 . 1 1 18 18 VAL HG12 H 1 0.923 . . . . . . . 297 V HG1* . 26725 1 210 . 1 1 18 18 VAL HG13 H 1 0.923 . . . . . . . 297 V HG1* . 26725 1 211 . 1 1 18 18 VAL HG21 H 1 0.756 . . . . . . . 297 V HG2* . 26725 1 212 . 1 1 18 18 VAL HG22 H 1 0.756 . . . . . . . 297 V HG2* . 26725 1 213 . 1 1 18 18 VAL HG23 H 1 0.756 . . . . . . . 297 V HG2* . 26725 1 214 . 1 1 18 18 VAL C C 13 168.781 . . . . . . . 297 V C . 26725 1 215 . 1 1 18 18 VAL CA C 13 54.352 . . . . . . . 297 V CA . 26725 1 216 . 1 1 18 18 VAL CB C 13 30.845 . . . . . . . 297 V CB . 26725 1 217 . 1 1 18 18 VAL N N 15 122.005 . . . . . . . 297 V N . 26725 1 218 . 1 1 19 19 PRO HA H 1 5.229 . . . . . . . 298 P HA . 26725 1 219 . 1 1 19 19 PRO HB2 H 1 2.285 . . . . . . . 298 P HB2 . 26725 1 220 . 1 1 19 19 PRO HB3 H 1 2.014 . . . . . . . 298 P HB3 . 26725 1 221 . 1 1 19 19 PRO HG2 H 1 2.139 . . . . . . . 298 P HG2 . 26725 1 222 . 1 1 19 19 PRO HG3 H 1 2.421 . . . . . . . 298 P HG3 . 26725 1 223 . 1 1 19 19 PRO HD2 H 1 3.814 . . . . . . . 298 P HD2 . 26725 1 224 . 1 1 19 19 PRO HD3 H 1 3.809 . . . . . . . 298 P HD3 . 26725 1 225 . 1 1 19 19 PRO C C 13 173.853 . . . . . . . 298 P C . 26725 1 226 . 1 1 19 19 PRO CA C 13 59.822 . . . . . . . 298 P CA . 26725 1 227 . 1 1 19 19 PRO CB C 13 29.866 . . . . . . . 298 P CB . 26725 1 228 . 1 1 19 19 PRO CG C 13 24.989 . . . . . . . 298 P CG . 26725 1 229 . 1 1 19 19 PRO CD C 13 47.929 . . . . . . . 298 P CD . 26725 1 230 . 1 1 20 20 GLY H H 1 8.709 . . . . . . . 299 G H . 26725 1 231 . 1 1 20 20 GLY HA2 H 1 3.335 . . . . . . . 299 G HA2 . 26725 1 232 . 1 1 20 20 GLY HA3 H 1 4.845 . . . . . . . 299 G HA3 . 26725 1 233 . 1 1 20 20 GLY C C 13 168.624 . . . . . . . 299 G C . 26725 1 234 . 1 1 20 20 GLY CA C 13 42.326 . . . . . . . 299 G CA . 26725 1 235 . 1 1 20 20 GLY N N 15 107.666 . . . . . . . 299 G N . 26725 1 236 . 1 1 21 21 LYS H H 1 7.992 . . . . . . . 300 K H . 26725 1 237 . 1 1 21 21 LYS HA H 1 5.334 . . . . . . . 300 K HA . 26725 1 238 . 1 1 21 21 LYS HB2 H 1 1.669 . . . . . . . 300 K HB2 . 26725 1 239 . 1 1 21 21 LYS HB3 H 1 1.610 . . . . . . . 300 K HB3 . 26725 1 240 . 1 1 21 21 LYS HG2 H 1 1.330 . . . . . . . 300 K HG2 . 26725 1 241 . 1 1 21 21 LYS HG3 H 1 1.307 . . . . . . . 300 K HG3 . 26725 1 242 . 1 1 21 21 LYS HD2 H 1 1.559 . . . . . . . 300 K HD2 . 26725 1 243 . 1 1 21 21 LYS HD3 H 1 1.642 . . . . . . . 300 K HD3 . 26725 1 244 . 1 1 21 21 LYS HE2 H 1 2.977 . . . . . . . 300 K HE2 . 26725 1 245 . 1 1 21 21 LYS HZ1 H 1 8.936 . . . . . . . 300 K HZ* . 26725 1 246 . 1 1 21 21 LYS HZ2 H 1 8.936 . . . . . . . 300 K HZ* . 26725 1 247 . 1 1 21 21 LYS HZ3 H 1 8.936 . . . . . . . 300 K HZ* . 26725 1 248 . 1 1 21 21 LYS C C 13 172.187 . . . . . . . 300 K C . 26725 1 249 . 1 1 21 21 LYS CA C 13 50.990 . . . . . . . 300 K CA . 26725 1 250 . 1 1 21 21 LYS CB C 13 33.530 . . . . . . . 300 K CB . 26725 1 251 . 1 1 21 21 LYS CG C 13 21.432 . . . . . . . 300 K CG . 26725 1 252 . 1 1 21 21 LYS CD C 13 26.322 . . . . . . . 300 K CD . 26725 1 253 . 1 1 21 21 LYS N N 15 120.901 . . . . . . . 300 K N . 26725 1 254 . 1 1 22 22 VAL H H 1 9.139 . . . . . . . 301 V H . 26725 1 255 . 1 1 22 22 VAL HA H 1 4.350 . . . . . . . 301 V HA . 26725 1 256 . 1 1 22 22 VAL HB H 1 2.382 . . . . . . . 301 V HB . 26725 1 257 . 1 1 22 22 VAL HG11 H 1 0.762 . . . . . . . 301 V HG1* . 26725 1 258 . 1 1 22 22 VAL HG12 H 1 0.762 . . . . . . . 301 V HG1* . 26725 1 259 . 1 1 22 22 VAL HG13 H 1 0.762 . . . . . . . 301 V HG1* . 26725 1 260 . 1 1 22 22 VAL HG21 H 1 0.822 . . . . . . . 301 V HG2* . 26725 1 261 . 1 1 22 22 VAL HG22 H 1 0.822 . . . . . . . 301 V HG2* . 26725 1 262 . 1 1 22 22 VAL HG23 H 1 0.822 . . . . . . . 301 V HG2* . 26725 1 263 . 1 1 22 22 VAL C C 13 174.329 . . . . . . . 301 V C . 26725 1 264 . 1 1 22 22 VAL CA C 13 60.932 . . . . . . . 301 V CA . 26725 1 265 . 1 1 22 22 VAL CB C 13 28.510 . . . . . . . 301 V CB . 26725 1 266 . 1 1 22 22 VAL CG1 C 13 18.475 . . . . . . . 301 V CG1 . 26725 1 267 . 1 1 22 22 VAL CG2 C 13 18.747 . . . . . . . 301 V CG2 . 26725 1 268 . 1 1 22 22 VAL N N 15 126.576 . . . . . . . 301 V N . 26725 1 269 . 1 1 23 23 THR H H 1 9.253 . . . . . . . 302 T H . 26725 1 270 . 1 1 23 23 THR HA H 1 4.507 . . . . . . . 302 T HA . 26725 1 271 . 1 1 23 23 THR HB H 1 4.158 . . . . . . . 302 T HB . 26725 1 272 . 1 1 23 23 THR HG1 H 1 6.898 . . . . . . . 302 T HG1 . 26725 1 273 . 1 1 23 23 THR HG21 H 1 1.181 . . . . . . . 302 T HG2* . 26725 1 274 . 1 1 23 23 THR HG22 H 1 1.181 . . . . . . . 302 T HG2* . 26725 1 275 . 1 1 23 23 THR HG23 H 1 1.181 . . . . . . . 302 T HG2* . 26725 1 276 . 1 1 23 23 THR C C 13 172.262 . . . . . . . 302 T C . 26725 1 277 . 1 1 23 23 THR CA C 13 59.742 . . . . . . . 302 T CA . 26725 1 278 . 1 1 23 23 THR CB C 13 66.783 . . . . . . . 302 T CB . 26725 1 279 . 1 1 23 23 THR CG2 C 13 21.506 . . . . . . . 302 T CG2 . 26725 1 280 . 1 1 23 23 THR N N 15 121.267 . . . . . . . 302 T N . 26725 1 281 . 1 1 24 24 LYS H H 1 7.310 . . . . . . . 303 K H . 26725 1 282 . 1 1 24 24 LYS HA H 1 4.425 . . . . . . . 303 K HA . 26725 1 283 . 1 1 24 24 LYS HB2 H 1 1.729 . . . . . . . 303 K HB2 . 26725 1 284 . 1 1 24 24 LYS HB3 H 1 1.944 . . . . . . . 303 K HB3 . 26725 1 285 . 1 1 24 24 LYS HG2 H 1 1.427 . . . . . . . 303 K HG2 . 26725 1 286 . 1 1 24 24 LYS HG3 H 1 1.070 . . . . . . . 303 K HG3 . 26725 1 287 . 1 1 24 24 LYS HD2 H 1 1.469 . . . . . . . 303 K HD2 . 26725 1 288 . 1 1 24 24 LYS HD3 H 1 1.449 . . . . . . . 303 K HD3 . 26725 1 289 . 1 1 24 24 LYS HE2 H 1 2.954 . . . . . . . 303 K HE2 . 26725 1 290 . 1 1 24 24 LYS HE3 H 1 2.745 . . . . . . . 303 K HE3 . 26725 1 291 . 1 1 24 24 LYS HZ1 H 1 9.333 . . . . . . . 303 K HZ* . 26725 1 292 . 1 1 24 24 LYS HZ2 H 1 9.333 . . . . . . . 303 K HZ* . 26725 1 293 . 1 1 24 24 LYS HZ3 H 1 9.333 . . . . . . . 303 K HZ* . 26725 1 294 . 1 1 24 24 LYS C C 13 169.711 . . . . . . . 303 K C . 26725 1 295 . 1 1 24 24 LYS CA C 13 54.276 . . . . . . . 303 K CA . 26725 1 296 . 1 1 24 24 LYS CB C 13 33.264 . . . . . . . 303 K CB . 26725 1 297 . 1 1 24 24 LYS CG C 13 22.150 . . . . . . . 303 K CG . 26725 1 298 . 1 1 24 24 LYS CD C 13 26.668 . . . . . . . 303 K CD . 26725 1 299 . 1 1 24 24 LYS CE C 13 39.422 . . . . . . . 303 K CE . 26725 1 300 . 1 1 24 24 LYS N N 15 120.712 . . . . . . . 303 K N . 26725 1 301 . 1 1 25 25 LEU H H 1 8.996 . . . . . . . 304 L H . 26725 1 302 . 1 1 25 25 LEU HA H 1 4.891 . . . . . . . 304 L HA . 26725 1 303 . 1 1 25 25 LEU HB2 H 1 1.397 . . . . . . . 304 L HB2 . 26725 1 304 . 1 1 25 25 LEU HB3 H 1 1.778 . . . . . . . 304 L HB3 . 26725 1 305 . 1 1 25 25 LEU HG H 1 2.432 . . . . . . . 304 L HG . 26725 1 306 . 1 1 25 25 LEU HD11 H 1 0.889 . . . . . . . 304 L HD1* . 26725 1 307 . 1 1 25 25 LEU HD12 H 1 0.889 . . . . . . . 304 L HD1* . 26725 1 308 . 1 1 25 25 LEU HD13 H 1 0.889 . . . . . . . 304 L HD1* . 26725 1 309 . 1 1 25 25 LEU HD21 H 1 0.714 . . . . . . . 304 L HD2* . 26725 1 310 . 1 1 25 25 LEU HD22 H 1 0.714 . . . . . . . 304 L HD2* . 26725 1 311 . 1 1 25 25 LEU HD23 H 1 0.714 . . . . . . . 304 L HD2* . 26725 1 312 . 1 1 25 25 LEU C C 13 172.064 . . . . . . . 304 L C . 26725 1 313 . 1 1 25 25 LEU CA C 13 51.516 . . . . . . . 304 L CA . 26725 1 314 . 1 1 25 25 LEU CB C 13 39.877 . . . . . . . 304 L CB . 26725 1 315 . 1 1 25 25 LEU CG C 13 25.163 . . . . . . . 304 L CG . 26725 1 316 . 1 1 25 25 LEU CD1 C 13 22.888 . . . . . . . 304 L CD1 . 26725 1 317 . 1 1 25 25 LEU CD2 C 13 21.554 . . . . . . . 304 L CD2 . 26725 1 318 . 1 1 25 25 LEU N N 15 126.630 . . . . . . . 304 L N . 26725 1 319 . 1 1 26 26 VAL H H 1 8.362 . . . . . . . 305 V H . 26725 1 320 . 1 1 26 26 VAL HA H 1 4.768 . . . . . . . 305 V HA . 26725 1 321 . 1 1 26 26 VAL HB H 1 2.069 . . . . . . . 305 V HB . 26725 1 322 . 1 1 26 26 VAL HG11 H 1 0.957 . . . . . . . 305 V HG1* . 26725 1 323 . 1 1 26 26 VAL HG12 H 1 0.957 . . . . . . . 305 V HG1* . 26725 1 324 . 1 1 26 26 VAL HG13 H 1 0.957 . . . . . . . 305 V HG1* . 26725 1 325 . 1 1 26 26 VAL HG21 H 1 -0.065 . . . . . . . 305 V HG2* . 26725 1 326 . 1 1 26 26 VAL HG22 H 1 -0.065 . . . . . . . 305 V HG2* . 26725 1 327 . 1 1 26 26 VAL HG23 H 1 -0.065 . . . . . . . 305 V HG2* . 26725 1 328 . 1 1 26 26 VAL C C 13 171.403 . . . . . . . 305 V C . 26725 1 329 . 1 1 26 26 VAL CA C 13 56.013 . . . . . . . 305 V CA . 26725 1 330 . 1 1 26 26 VAL CB C 13 30.260 . . . . . . . 305 V CB . 26725 1 331 . 1 1 26 26 VAL CG1 C 13 20.417 . . . . . . . 305 V CG1 . 26725 1 332 . 1 1 26 26 VAL CG2 C 13 15.013 . . . . . . . 305 V CG2 . 26725 1 333 . 1 1 26 26 VAL N N 15 116.256 . . . . . . . 305 V N . 26725 1 334 . 1 1 27 27 PRO HB3 H 1 3.509 . . . . . . . 306 P HB3 . 26725 1 335 . 1 1 27 27 PRO HG2 H 1 1.204 . . . . . . . 306 P HG2 . 26725 1 336 . 1 1 27 27 PRO HD2 H 1 4.215 . . . . . . . 306 P HD2 . 26725 1 337 . 1 1 27 27 PRO HD3 H 1 3.663 . . . . . . . 306 P HD3 . 26725 1 338 . 1 1 28 28 PHE HA H 1 4.676 . . . . . . . 307 F HA . 26725 1 339 . 1 1 28 28 PHE HB2 H 1 3.043 . . . . . . . 307 F HB2 . 26725 1 340 . 1 1 28 28 PHE HB3 H 1 3.514 . . . . . . . 307 F HB3 . 26725 1 341 . 1 1 28 28 PHE HD1 H 1 6.894 . . . . . . . 307 F HD1 . 26725 1 342 . 1 1 28 28 PHE HD2 H 1 7.182 . . . . . . . 307 F HD2 . 26725 1 343 . 1 1 28 28 PHE HE1 H 1 7.625 . . . . . . . 307 F HE1 . 26725 1 344 . 1 1 28 28 PHE HE2 H 1 8.495 . . . . . . . 307 F HE2 . 26725 1 345 . 1 1 28 28 PHE HZ H 1 6.569 . . . . . . . 307 F HZ . 26725 1 346 . 1 1 28 28 PHE C C 13 171.772 . . . . . . . 307 F C . 26725 1 347 . 1 1 28 28 PHE CA C 13 52.145 . . . . . . . 307 F CA . 26725 1 348 . 1 1 28 28 PHE CB C 13 35.260 . . . . . . . 307 F CB . 26725 1 349 . 1 1 29 29 GLY H H 1 7.640 . . . . . . . 308 G H . 26725 1 350 . 1 1 29 29 GLY HA2 H 1 3.308 . . . . . . . 308 G HA2 . 26725 1 351 . 1 1 29 29 GLY HA3 H 1 4.687 . . . . . . . 308 G HA3 . 26725 1 352 . 1 1 29 29 GLY C C 13 165.183 . . . . . . . 308 G C . 26725 1 353 . 1 1 29 29 GLY CA C 13 43.405 . . . . . . . 308 G CA . 26725 1 354 . 1 1 29 29 GLY N N 15 109.041 . . . . . . . 308 G N . 26725 1 355 . 1 1 30 30 ALA H H 1 8.552 . . . . . . . 309 A H . 26725 1 356 . 1 1 30 30 ALA HA H 1 5.119 . . . . . . . 309 A HA . 26725 1 357 . 1 1 30 30 ALA HB1 H 1 1.073 . . . . . . . 309 A HB* . 26725 1 358 . 1 1 30 30 ALA HB2 H 1 1.073 . . . . . . . 309 A HB* . 26725 1 359 . 1 1 30 30 ALA HB3 H 1 1.073 . . . . . . . 309 A HB* . 26725 1 360 . 1 1 30 30 ALA C C 13 172.034 . . . . . . . 309 A C . 26725 1 361 . 1 1 30 30 ALA CA C 13 47.208 . . . . . . . 309 A CA . 26725 1 362 . 1 1 30 30 ALA CB C 13 19.999 . . . . . . . 309 A CB . 26725 1 363 . 1 1 30 30 ALA N N 15 120.433 . . . . . . . 309 A N . 26725 1 364 . 1 1 31 31 PHE H H 1 9.253 . . . . . . . 310 F H . 26725 1 365 . 1 1 31 31 PHE HA H 1 5.183 . . . . . . . 310 F HA . 26725 1 366 . 1 1 31 31 PHE HB2 H 1 2.813 . . . . . . . 310 F HB2 . 26725 1 367 . 1 1 31 31 PHE HB3 H 1 2.924 . . . . . . . 310 F HB3 . 26725 1 368 . 1 1 31 31 PHE HD1 H 1 6.915 . . . . . . . 310 F HD1 . 26725 1 369 . 1 1 31 31 PHE HD2 H 1 8.624 . . . . . . . 310 F HD2 . 26725 1 370 . 1 1 31 31 PHE HE1 H 1 9.228 . . . . . . . 310 F HE1 . 26725 1 371 . 1 1 31 31 PHE HE2 H 1 7.333 . . . . . . . 310 F HE2 . 26725 1 372 . 1 1 31 31 PHE HZ H 1 6.888 . . . . . . . 310 F HZ . 26725 1 373 . 1 1 31 31 PHE C C 13 172.461 . . . . . . . 310 F C . 26725 1 374 . 1 1 31 31 PHE CA C 13 55.660 . . . . . . . 310 F CA . 26725 1 375 . 1 1 31 31 PHE CB C 13 37.962 . . . . . . . 310 F CB . 26725 1 376 . 1 1 31 31 PHE N N 15 122.169 . . . . . . . 310 F N . 26725 1 377 . 1 1 32 32 VAL H H 1 9.032 . . . . . . . 311 V H . 26725 1 378 . 1 1 32 32 VAL HA H 1 4.707 . . . . . . . 311 V HA . 26725 1 379 . 1 1 32 32 VAL HB H 1 1.644 . . . . . . . 311 V HB . 26725 1 380 . 1 1 32 32 VAL HG11 H 1 0.632 . . . . . . . 311 V HG1* . 26725 1 381 . 1 1 32 32 VAL HG12 H 1 0.632 . . . . . . . 311 V HG1* . 26725 1 382 . 1 1 32 32 VAL HG13 H 1 0.632 . . . . . . . 311 V HG1* . 26725 1 383 . 1 1 32 32 VAL HG21 H 1 0.563 . . . . . . . 311 V HG2* . 26725 1 384 . 1 1 32 32 VAL HG22 H 1 0.563 . . . . . . . 311 V HG2* . 26725 1 385 . 1 1 32 32 VAL HG23 H 1 0.563 . . . . . . . 311 V HG2* . 26725 1 386 . 1 1 32 32 VAL C C 13 171.219 . . . . . . . 311 V C . 26725 1 387 . 1 1 32 32 VAL CA C 13 57.613 . . . . . . . 311 V CA . 26725 1 388 . 1 1 32 32 VAL CB C 13 32.582 . . . . . . . 311 V CB . 26725 1 389 . 1 1 32 32 VAL CG1 C 13 18.838 . . . . . . . 311 V CG1 . 26725 1 390 . 1 1 32 32 VAL CG2 C 13 18.688 . . . . . . . 311 V CG2 . 26725 1 391 . 1 1 32 32 VAL N N 15 121.020 . . . . . . . 311 V N . 26725 1 392 . 1 1 33 33 ARG H H 1 9.402 . . . . . . . 312 R H . 26725 1 393 . 1 1 33 33 ARG HA H 1 4.779 . . . . . . . 312 R HA . 26725 1 394 . 1 1 33 33 ARG HB2 H 1 1.709 . . . . . . . 312 R HB2 . 26725 1 395 . 1 1 33 33 ARG HB3 H 1 1.869 . . . . . . . 312 R HB3 . 26725 1 396 . 1 1 33 33 ARG HG2 H 1 1.519 . . . . . . . 312 R HG2 . 26725 1 397 . 1 1 33 33 ARG HG3 H 1 1.318 . . . . . . . 312 R HG3 . 26725 1 398 . 1 1 33 33 ARG HD2 H 1 3.099 . . . . . . . 312 R HD2 . 26725 1 399 . 1 1 33 33 ARG HD3 H 1 3.131 . . . . . . . 312 R HD3 . 26725 1 400 . 1 1 33 33 ARG HE H 1 7.839 . . . . . . . 312 R HE . 26725 1 401 . 1 1 33 33 ARG HH11 H 1 8.205 . . . . . . . 312 R HH11 . 26725 1 402 . 1 1 33 33 ARG HH21 H 1 8.705 . . . . . . . 312 R HH21 . 26725 1 403 . 1 1 33 33 ARG HH22 H 1 7.674 . . . . . . . 312 R HH22 . 26725 1 404 . 1 1 33 33 ARG C C 13 173.380 . . . . . . . 312 R C . 26725 1 405 . 1 1 33 33 ARG CA C 13 53.042 . . . . . . . 312 R CA . 26725 1 406 . 1 1 33 33 ARG CB C 13 29.214 . . . . . . . 312 R CB . 26725 1 407 . 1 1 33 33 ARG CG C 13 24.598 . . . . . . . 312 R CG . 26725 1 408 . 1 1 33 33 ARG CD C 13 41.040 . . . . . . . 312 R CD . 26725 1 409 . 1 1 33 33 ARG N N 15 128.490 . . . . . . . 312 R N . 26725 1 410 . 1 1 34 34 VAL H H 1 8.478 . . . . . . . 313 V H . 26725 1 411 . 1 1 34 34 VAL HA H 1 4.733 . . . . . . . 313 V HA . 26725 1 412 . 1 1 34 34 VAL HB H 1 2.216 . . . . . . . 313 V HB . 26725 1 413 . 1 1 34 34 VAL HG11 H 1 0.677 . . . . . . . 313 V HG1* . 26725 1 414 . 1 1 34 34 VAL HG12 H 1 0.677 . . . . . . . 313 V HG1* . 26725 1 415 . 1 1 34 34 VAL HG13 H 1 0.677 . . . . . . . 313 V HG1* . 26725 1 416 . 1 1 34 34 VAL HG21 H 1 0.310 . . . . . . . 313 V HG2* . 26725 1 417 . 1 1 34 34 VAL HG22 H 1 0.310 . . . . . . . 313 V HG2* . 26725 1 418 . 1 1 34 34 VAL HG23 H 1 0.310 . . . . . . . 313 V HG2* . 26725 1 419 . 1 1 34 34 VAL CA C 13 58.301 . . . . . . . 313 V CA . 26725 1 420 . 1 1 34 34 VAL CB C 13 29.747 . . . . . . . 313 V CB . 26725 1 421 . 1 1 34 34 VAL CG1 C 13 20.250 . . . . . . . 313 V CG1 . 26725 1 422 . 1 1 34 34 VAL CG2 C 13 16.638 . . . . . . . 313 V CG2 . 26725 1 423 . 1 1 34 34 VAL N N 15 120.839 . . . . . . . 313 V N . 26725 1 424 . 1 1 35 35 GLU H H 1 8.185 . . . . . . . 314 E H . 26725 1 425 . 1 1 35 35 GLU HA H 1 4.290 . . . . . . . 314 E HA . 26725 1 426 . 1 1 35 35 GLU HB2 H 1 1.914 . . . . . . . 314 E HB2 . 26725 1 427 . 1 1 35 35 GLU HB3 H 1 1.860 . . . . . . . 314 E HB3 . 26725 1 428 . 1 1 35 35 GLU HG2 H 1 2.496 . . . . . . . 314 E HG2 . 26725 1 429 . 1 1 35 35 GLU HG3 H 1 2.556 . . . . . . . 314 E HG3 . 26725 1 430 . 1 1 35 35 GLU HE2 H 1 3.100 . . . . . . . 314 E HE2 . 26725 1 431 . 1 1 35 35 GLU C C 13 171.367 . . . . . . . 314 E C . 26725 1 432 . 1 1 35 35 GLU CA C 13 53.146 . . . . . . . 314 E CA . 26725 1 433 . 1 1 35 35 GLU CB C 13 30.434 . . . . . . . 314 E CB . 26725 1 434 . 1 1 35 35 GLU CG C 13 34.469 . . . . . . . 314 E CG . 26725 1 435 . 1 1 35 35 GLU N N 15 121.818 . . . . . . . 314 E N . 26725 1 436 . 1 1 36 36 GLU H H 1 9.222 . . . . . . . 315 E H . 26725 1 437 . 1 1 36 36 GLU HA H 1 3.931 . . . . . . . 315 E HA . 26725 1 438 . 1 1 36 36 GLU HB2 H 1 2.004 . . . . . . . 315 E HB2 . 26725 1 439 . 1 1 36 36 GLU HB3 H 1 2.523 . . . . . . . 315 E HB3 . 26725 1 440 . 1 1 36 36 GLU HG2 H 1 2.242 . . . . . . . 315 E HG2 . 26725 1 441 . 1 1 36 36 GLU HG3 H 1 2.341 . . . . . . . 315 E HG3 . 26725 1 442 . 1 1 36 36 GLU HE2 H 1 4.811 . . . . . . . 315 E HE2 . 26725 1 443 . 1 1 36 36 GLU C C 13 173.721 . . . . . . . 315 E C . 26725 1 444 . 1 1 36 36 GLU CA C 13 56.351 . . . . . . . 315 E CA . 26725 1 445 . 1 1 36 36 GLU CB C 13 25.982 . . . . . . . 315 E CB . 26725 1 446 . 1 1 36 36 GLU CG C 13 33.107 . . . . . . . 315 E CG . 26725 1 447 . 1 1 36 36 GLU N N 15 122.406 . . . . . . . 315 E N . 26725 1 448 . 1 1 37 37 GLY H H 1 8.655 . . . . . . . 316 G H . 26725 1 449 . 1 1 37 37 GLY HA2 H 1 3.752 . . . . . . . 316 G HA2 . 26725 1 450 . 1 1 37 37 GLY HA3 H 1 4.134 . . . . . . . 316 G HA3 . 26725 1 451 . 1 1 37 37 GLY C C 13 170.354 . . . . . . . 316 G C . 26725 1 452 . 1 1 37 37 GLY CA C 13 42.846 . . . . . . . 316 G CA . 26725 1 453 . 1 1 37 37 GLY N N 15 113.443 . . . . . . . 316 G N . 26725 1 454 . 1 1 38 38 ILE H H 1 7.938 . . . . . . . 317 I H . 26725 1 455 . 1 1 38 38 ILE HA H 1 3.981 . . . . . . . 317 I HA . 26725 1 456 . 1 1 38 38 ILE HB H 1 1.165 . . . . . . . 317 I HB . 26725 1 457 . 1 1 38 38 ILE HG12 H 1 0.697 . . . . . . . 317 I HG12 . 26725 1 458 . 1 1 38 38 ILE HG13 H 1 0.248 . . . . . . . 317 I HG13 . 26725 1 459 . 1 1 38 38 ILE HG21 H 1 -0.424 . . . . . . . 317 I HG2* . 26725 1 460 . 1 1 38 38 ILE HG22 H 1 -0.424 . . . . . . . 317 I HG2* . 26725 1 461 . 1 1 38 38 ILE HG23 H 1 -0.424 . . . . . . . 317 I HG2* . 26725 1 462 . 1 1 38 38 ILE HD11 H 1 -0.370 . . . . . . . 317 I HD1* . 26725 1 463 . 1 1 38 38 ILE HD12 H 1 -0.370 . . . . . . . 317 I HD1* . 26725 1 464 . 1 1 38 38 ILE HD13 H 1 -0.370 . . . . . . . 317 I HD1* . 26725 1 465 . 1 1 38 38 ILE C C 13 170.049 . . . . . . . 317 I C . 26725 1 466 . 1 1 38 38 ILE CA C 13 57.478 . . . . . . . 317 I CA . 26725 1 467 . 1 1 38 38 ILE CB C 13 35.002 . . . . . . . 317 I CB . 26725 1 468 . 1 1 38 38 ILE CG1 C 13 22.200 . . . . . . . 317 I CG1 . 26725 1 469 . 1 1 38 38 ILE CG2 C 13 13.881 . . . . . . . 317 I CG2 . 26725 1 470 . 1 1 38 38 ILE CD1 C 13 8.233 . . . . . . . 317 I CD1 . 26725 1 471 . 1 1 38 38 ILE N N 15 120.597 . . . . . . . 317 I N . 26725 1 472 . 1 1 39 39 GLU H H 1 8.287 . . . . . . . 318 E H . 26725 1 473 . 1 1 39 39 GLU HA H 1 5.336 . . . . . . . 318 E HA . 26725 1 474 . 1 1 39 39 GLU HB2 H 1 1.947 . . . . . . . 318 E HB2 . 26725 1 475 . 1 1 39 39 GLU HB3 H 1 2.009 . . . . . . . 318 E HB3 . 26725 1 476 . 1 1 39 39 GLU HG2 H 1 2.070 . . . . . . . 318 E HG2 . 26725 1 477 . 1 1 39 39 GLU HG3 H 1 1.670 . . . . . . . 318 E HG3 . 26725 1 478 . 1 1 39 39 GLU C C 13 172.635 . . . . . . . 318 E C . 26725 1 479 . 1 1 39 39 GLU CA C 13 51.244 . . . . . . . 318 E CA . 26725 1 480 . 1 1 39 39 GLU CB C 13 30.583 . . . . . . . 318 E CB . 26725 1 481 . 1 1 39 39 GLU CG C 13 33.888 . . . . . . . 318 E CG . 26725 1 482 . 1 1 39 39 GLU N N 15 125.911 . . . . . . . 318 E N . 26725 1 483 . 1 1 40 40 GLY H H 1 8.762 . . . . . . . 319 G H . 26725 1 484 . 1 1 40 40 GLY HA2 H 1 3.405 . . . . . . . 319 G HA2 . 26725 1 485 . 1 1 40 40 GLY HA3 H 1 4.946 . . . . . . . 319 G HA3 . 26725 1 486 . 1 1 40 40 GLY C C 13 167.117 . . . . . . . 319 G C . 26725 1 487 . 1 1 40 40 GLY CA C 13 41.720 . . . . . . . 319 G CA . 26725 1 488 . 1 1 40 40 GLY N N 15 108.028 . . . . . . . 319 G N . 26725 1 489 . 1 1 41 41 LEU H H 1 8.262 . . . . . . . 320 L H . 26725 1 490 . 1 1 41 41 LEU HA H 1 4.352 . . . . . . . 320 L HA . 26725 1 491 . 1 1 41 41 LEU HB2 H 1 1.803 . . . . . . . 320 L HB2 . 26725 1 492 . 1 1 41 41 LEU HB3 H 1 1.091 . . . . . . . 320 L HB3 . 26725 1 493 . 1 1 41 41 LEU HG H 1 1.597 . . . . . . . 320 L HG . 26725 1 494 . 1 1 41 41 LEU HD11 H 1 0.848 . . . . . . . 320 L HD1* . 26725 1 495 . 1 1 41 41 LEU HD12 H 1 0.848 . . . . . . . 320 L HD1* . 26725 1 496 . 1 1 41 41 LEU HD13 H 1 0.848 . . . . . . . 320 L HD1* . 26725 1 497 . 1 1 41 41 LEU HD21 H 1 1.037 . . . . . . . 320 L HD2* . 26725 1 498 . 1 1 41 41 LEU HD22 H 1 1.037 . . . . . . . 320 L HD2* . 26725 1 499 . 1 1 41 41 LEU HD23 H 1 1.037 . . . . . . . 320 L HD2* . 26725 1 500 . 1 1 41 41 LEU C C 13 172.958 . . . . . . . 320 L C . 26725 1 501 . 1 1 41 41 LEU CA C 13 51.560 . . . . . . . 320 L CA . 26725 1 502 . 1 1 41 41 LEU CB C 13 41.706 . . . . . . . 320 L CB . 26725 1 503 . 1 1 41 41 LEU CG C 13 18.808 . . . . . . . 320 L CG . 26725 1 504 . 1 1 41 41 LEU CD1 C 13 23.159 . . . . . . . 320 L CD1 . 26725 1 505 . 1 1 41 41 LEU N N 15 121.958 . . . . . . . 320 L N . 26725 1 506 . 1 1 42 42 VAL H H 1 9.242 . . . . . . . 321 V H . 26725 1 507 . 1 1 42 42 VAL HA H 1 4.530 . . . . . . . 321 V HA . 26725 1 508 . 1 1 42 42 VAL HB H 1 2.122 . . . . . . . 321 V HB . 26725 1 509 . 1 1 42 42 VAL HG11 H 1 0.734 . . . . . . . 321 V HG1* . 26725 1 510 . 1 1 42 42 VAL HG12 H 1 0.734 . . . . . . . 321 V HG1* . 26725 1 511 . 1 1 42 42 VAL HG13 H 1 0.734 . . . . . . . 321 V HG1* . 26725 1 512 . 1 1 42 42 VAL HG21 H 1 0.722 . . . . . . . 321 V HG2* . 26725 1 513 . 1 1 42 42 VAL HG22 H 1 0.722 . . . . . . . 321 V HG2* . 26725 1 514 . 1 1 42 42 VAL HG23 H 1 0.722 . . . . . . . 321 V HG2* . 26725 1 515 . 1 1 42 42 VAL C C 13 171.168 . . . . . . . 321 V C . 26725 1 516 . 1 1 42 42 VAL CA C 13 57.340 . . . . . . . 321 V CA . 26725 1 517 . 1 1 42 42 VAL CB C 13 29.108 . . . . . . . 321 V CB . 26725 1 518 . 1 1 42 42 VAL CG1 C 13 20.815 . . . . . . . 321 V CG1 . 26725 1 519 . 1 1 42 42 VAL CG2 C 13 21.441 . . . . . . . 321 V CG2 . 26725 1 520 . 1 1 42 42 VAL N N 15 128.053 . . . . . . . 321 V N . 26725 1 521 . 1 1 43 43 HIS H H 1 9.232 . . . . . . . 322 H H . 26725 1 522 . 1 1 43 43 HIS HA H 1 4.559 . . . . . . . 322 H HA . 26725 1 523 . 1 1 43 43 HIS HB2 H 1 2.937 . . . . . . . 322 H HB2 . 26725 1 524 . 1 1 43 43 HIS HB3 H 1 3.329 . . . . . . . 322 H HB3 . 26725 1 525 . 1 1 43 43 HIS HD1 H 1 8.595 . . . . . . . 322 H HD1 . 26725 1 526 . 1 1 43 43 HIS HD2 H 1 7.812 . . . . . . . 322 H HD2 . 26725 1 527 . 1 1 43 43 HIS HE1 H 1 8.686 . . . . . . . 322 H HE1 . 26725 1 528 . 1 1 43 43 HIS HE2 H 1 8.027 . . . . . . . 322 H HE2 . 26725 1 529 . 1 1 43 43 HIS C C 13 173.342 . . . . . . . 322 H C . 26725 1 530 . 1 1 43 43 HIS CA C 13 56.209 . . . . . . . 322 H CA . 26725 1 531 . 1 1 43 43 HIS CB C 13 28.753 . . . . . . . 322 H CB . 26725 1 532 . 1 1 43 43 HIS N N 15 127.276 . . . . . . . 322 H N . 26725 1 533 . 1 1 43 43 HIS ND1 N 15 124.084 . . . . . . . 322 H ND1 . 26725 1 534 . 1 1 44 44 ILE H H 1 7.743 . . . . . . . 323 I H . 26725 1 535 . 1 1 44 44 ILE HA H 1 3.794 . . . . . . . 323 I HA . 26725 1 536 . 1 1 44 44 ILE HB H 1 1.284 . . . . . . . 323 I HB . 26725 1 537 . 1 1 44 44 ILE HG12 H 1 1.064 . . . . . . . 323 I HG12 . 26725 1 538 . 1 1 44 44 ILE HG13 H 1 1.264 . . . . . . . 323 I HG13 . 26725 1 539 . 1 1 44 44 ILE HG21 H 1 0.731 . . . . . . . 323 I HG2* . 26725 1 540 . 1 1 44 44 ILE HG22 H 1 0.731 . . . . . . . 323 I HG2* . 26725 1 541 . 1 1 44 44 ILE HG23 H 1 0.731 . . . . . . . 323 I HG2* . 26725 1 542 . 1 1 44 44 ILE HD11 H 1 0.707 . . . . . . . 323 I HD1* . 26725 1 543 . 1 1 44 44 ILE HD12 H 1 0.707 . . . . . . . 323 I HD1* . 26725 1 544 . 1 1 44 44 ILE HD13 H 1 0.707 . . . . . . . 323 I HD1* . 26725 1 545 . 1 1 44 44 ILE C C 13 172.958 . . . . . . . 323 I C . 26725 1 546 . 1 1 44 44 ILE CA C 13 61.322 . . . . . . . 323 I CA . 26725 1 547 . 1 1 44 44 ILE CB C 13 36.270 . . . . . . . 323 I CB . 26725 1 548 . 1 1 44 44 ILE CG1 C 13 25.587 . . . . . . . 323 I CG1 . 26725 1 549 . 1 1 44 44 ILE CG2 C 13 13.333 . . . . . . . 323 I CG2 . 26725 1 550 . 1 1 44 44 ILE N N 15 125.785 . . . . . . . 323 I N . 26725 1 551 . 1 1 45 45 SER H H 1 8.709 . . . . . . . 324 S H . 26725 1 552 . 1 1 45 45 SER HA H 1 4.175 . . . . . . . 324 S HA . 26725 1 553 . 1 1 45 45 SER HB2 H 1 3.014 . . . . . . . 324 S HB2 . 26725 1 554 . 1 1 45 45 SER HB3 H 1 2.931 . . . . . . . 324 S HB3 . 26725 1 555 . 1 1 45 45 SER HG H 1 4.434 . . . . . . . 324 S HG . 26725 1 556 . 1 1 45 45 SER C C 13 171.814 . . . . . . . 324 S C . 26725 1 557 . 1 1 45 45 SER CA C 13 58.246 . . . . . . . 324 S CA . 26725 1 558 . 1 1 45 45 SER CB C 13 60.602 . . . . . . . 324 S CB . 26725 1 559 . 1 1 45 45 SER N N 15 118.981 . . . . . . . 324 S N . 26725 1 560 . 1 1 46 46 GLU H H 1 8.444 . . . . . . . 325 E H . 26725 1 561 . 1 1 46 46 GLU HA H 1 4.511 . . . . . . . 325 E HA . 26725 1 562 . 1 1 46 46 GLU HB2 H 1 2.147 . . . . . . . 325 E HB2 . 26725 1 563 . 1 1 46 46 GLU HB3 H 1 2.747 . . . . . . . 325 E HB3 . 26725 1 564 . 1 1 46 46 GLU HG2 H 1 2.018 . . . . . . . 325 E HG2 . 26725 1 565 . 1 1 46 46 GLU HG3 H 1 3.319 . . . . . . . 325 E HG3 . 26725 1 566 . 1 1 46 46 GLU HE2 H 1 7.134 . . . . . . . 325 E HE2 . 26725 1 567 . 1 1 46 46 GLU C C 13 171.541 . . . . . . . 325 E C . 26725 1 568 . 1 1 46 46 GLU CA C 13 52.743 . . . . . . . 325 E CA . 26725 1 569 . 1 1 46 46 GLU CB C 13 27.163 . . . . . . . 325 E CB . 26725 1 570 . 1 1 46 46 GLU CG C 13 32.195 . . . . . . . 325 E CG . 26725 1 571 . 1 1 46 46 GLU N N 15 119.576 . . . . . . . 325 E N . 26725 1 572 . 1 1 47 47 LEU H H 1 7.782 . . . . . . . 326 L H . 26725 1 573 . 1 1 47 47 LEU HA H 1 4.285 . . . . . . . 326 L HA . 26725 1 574 . 1 1 47 47 LEU HB2 H 1 1.462 . . . . . . . 326 L HB2 . 26725 1 575 . 1 1 47 47 LEU HB3 H 1 1.883 . . . . . . . 326 L HB3 . 26725 1 576 . 1 1 47 47 LEU HG H 1 1.377 . . . . . . . 326 L HG . 26725 1 577 . 1 1 47 47 LEU HD11 H 1 0.715 . . . . . . . 326 L HD1* . 26725 1 578 . 1 1 47 47 LEU HD12 H 1 0.715 . . . . . . . 326 L HD1* . 26725 1 579 . 1 1 47 47 LEU HD13 H 1 0.715 . . . . . . . 326 L HD1* . 26725 1 580 . 1 1 47 47 LEU HD21 H 1 0.829 . . . . . . . 326 L HD2* . 26725 1 581 . 1 1 47 47 LEU HD22 H 1 0.829 . . . . . . . 326 L HD2* . 26725 1 582 . 1 1 47 47 LEU HD23 H 1 0.829 . . . . . . . 326 L HD2* . 26725 1 583 . 1 1 47 47 LEU C C 13 173.853 . . . . . . . 326 L C . 26725 1 584 . 1 1 47 47 LEU CA C 13 54.369 . . . . . . . 326 L CA . 26725 1 585 . 1 1 47 47 LEU CB C 13 40.456 . . . . . . . 326 L CB . 26725 1 586 . 1 1 47 47 LEU CG C 13 23.719 . . . . . . . 326 L CG . 26725 1 587 . 1 1 47 47 LEU CD1 C 13 23.840 . . . . . . . 326 L CD1 . 26725 1 588 . 1 1 47 47 LEU CD2 C 13 21.426 . . . . . . . 326 L CD2 . 26725 1 589 . 1 1 47 47 LEU N N 15 123.390 . . . . . . . 326 L N . 26725 1 590 . 1 1 48 48 ALA H H 1 7.936 . . . . . . . 327 A H . 26725 1 591 . 1 1 48 48 ALA HA H 1 4.396 . . . . . . . 327 A HA . 26725 1 592 . 1 1 48 48 ALA HB1 H 1 1.420 . . . . . . . 327 A HB* . 26725 1 593 . 1 1 48 48 ALA HB2 H 1 1.420 . . . . . . . 327 A HB* . 26725 1 594 . 1 1 48 48 ALA HB3 H 1 1.420 . . . . . . . 327 A HB* . 26725 1 595 . 1 1 48 48 ALA CA C 13 48.758 . . . . . . . 327 A CA . 26725 1 596 . 1 1 48 48 ALA CB C 13 18.900 . . . . . . . 327 A CB . 26725 1 597 . 1 1 48 48 ALA N N 15 117.112 . . . . . . . 327 A N . 26725 1 598 . 1 1 49 49 GLU H H 1 8.650 . . . . . . . 328 E H . 26725 1 599 . 1 1 49 49 GLU HA H 1 4.161 . . . . . . . 328 E HA . 26725 1 600 . 1 1 49 49 GLU HB2 H 1 2.038 . . . . . . . 328 E HB2 . 26725 1 601 . 1 1 49 49 GLU HB3 H 1 1.422 . . . . . . . 328 E HB3 . 26725 1 602 . 1 1 49 49 GLU HG2 H 1 2.274 . . . . . . . 328 E HG2 . 26725 1 603 . 1 1 49 49 GLU HG3 H 1 2.308 . . . . . . . 328 E HG3 . 26725 1 604 . 1 1 49 49 GLU HE2 H 1 4.811 . . . . . . . 328 E HE2 . 26725 1 605 . 1 1 49 49 GLU C C 13 173.356 . . . . . . . 328 E C . 26725 1 606 . 1 1 49 49 GLU CA C 13 55.009 . . . . . . . 328 E CA . 26725 1 607 . 1 1 49 49 GLU CB C 13 26.915 . . . . . . . 328 E CB . 26725 1 608 . 1 1 49 49 GLU CG C 13 33.436 . . . . . . . 328 E CG . 26725 1 609 . 1 1 49 49 GLU N N 15 119.859 . . . . . . . 328 E N . 26725 1 610 . 1 1 50 50 ARG H H 1 7.662 . . . . . . . 329 R H . 26725 1 611 . 1 1 50 50 ARG HA H 1 4.386 . . . . . . . 329 R HA . 26725 1 612 . 1 1 50 50 ARG HB2 H 1 1.827 . . . . . . . 329 R HB2 . 26725 1 613 . 1 1 50 50 ARG HB3 H 1 1.786 . . . . . . . 329 R HB3 . 26725 1 614 . 1 1 50 50 ARG HG2 H 1 1.353 . . . . . . . 329 R HG2 . 26725 1 615 . 1 1 50 50 ARG HG3 H 1 1.691 . . . . . . . 329 R HG3 . 26725 1 616 . 1 1 50 50 ARG HD2 H 1 3.127 . . . . . . . 329 R HD2 . 26725 1 617 . 1 1 50 50 ARG HD3 H 1 3.229 . . . . . . . 329 R HD3 . 26725 1 618 . 1 1 50 50 ARG HE H 1 8.074 . . . . . . . 329 R HE . 26725 1 619 . 1 1 50 50 ARG HH11 H 1 8.965 . . . . . . . 329 R HH11 . 26725 1 620 . 1 1 50 50 ARG HH12 H 1 8.851 . . . . . . . 329 R HH12 . 26725 1 621 . 1 1 50 50 ARG HH21 H 1 8.134 . . . . . . . 329 R HH21 . 26725 1 622 . 1 1 50 50 ARG HH22 H 1 8.425 . . . . . . . 329 R HH22 . 26725 1 623 . 1 1 50 50 ARG C C 13 170.998 . . . . . . . 329 R C . 26725 1 624 . 1 1 50 50 ARG CA C 13 52.134 . . . . . . . 329 R CA . 26725 1 625 . 1 1 50 50 ARG CB C 13 27.907 . . . . . . . 329 R CB . 26725 1 626 . 1 1 50 50 ARG CG C 13 23.948 . . . . . . . 329 R CG . 26725 1 627 . 1 1 50 50 ARG CD C 13 40.766 . . . . . . . 329 R CD . 26725 1 628 . 1 1 50 50 ARG N N 15 117.248 . . . . . . . 329 R N . 26725 1 629 . 1 1 50 50 ARG NE N 15 117.284 . . . . . . . 329 R NE . 26725 1 630 . 1 1 51 51 HIS H H 1 8.482 . . . . . . . 330 H H . 26725 1 631 . 1 1 51 51 HIS HA H 1 4.482 . . . . . . . 330 H HA . 26725 1 632 . 1 1 51 51 HIS HB2 H 1 3.154 . . . . . . . 330 H HB2 . 26725 1 633 . 1 1 51 51 HIS HB3 H 1 4.792 . . . . . . . 330 H HB3 . 26725 1 634 . 1 1 51 51 HIS HD2 H 1 8.064 . . . . . . . 330 H HD2 . 26725 1 635 . 1 1 51 51 HIS HE2 H 1 7.880 . . . . . . . 330 H HE2 . 26725 1 636 . 1 1 51 51 HIS C C 13 171.193 . . . . . . . 330 H C . 26725 1 637 . 1 1 51 51 HIS CA C 13 53.969 . . . . . . . 330 H CA . 26725 1 638 . 1 1 51 51 HIS CB C 13 25.991 . . . . . . . 330 H CB . 26725 1 639 . 1 1 51 51 HIS N N 15 118.841 . . . . . . . 330 H N . 26725 1 640 . 1 1 52 52 VAL H H 1 7.870 . . . . . . . 331 V H . 26725 1 641 . 1 1 52 52 VAL HA H 1 4.186 . . . . . . . 331 V HA . 26725 1 642 . 1 1 52 52 VAL HB H 1 2.031 . . . . . . . 331 V HB . 26725 1 643 . 1 1 52 52 VAL HG11 H 1 0.744 . . . . . . . 331 V HG1* . 26725 1 644 . 1 1 52 52 VAL HG12 H 1 0.744 . . . . . . . 331 V HG1* . 26725 1 645 . 1 1 52 52 VAL HG13 H 1 0.744 . . . . . . . 331 V HG1* . 26725 1 646 . 1 1 52 52 VAL HG21 H 1 0.751 . . . . . . . 331 V HG2* . 26725 1 647 . 1 1 52 52 VAL HG22 H 1 0.751 . . . . . . . 331 V HG2* . 26725 1 648 . 1 1 52 52 VAL HG23 H 1 0.751 . . . . . . . 331 V HG2* . 26725 1 649 . 1 1 52 52 VAL C C 13 170.960 . . . . . . . 331 V C . 26725 1 650 . 1 1 52 52 VAL CA C 13 58.197 . . . . . . . 331 V CA . 26725 1 651 . 1 1 52 52 VAL CB C 13 31.113 . . . . . . . 331 V CB . 26725 1 652 . 1 1 52 52 VAL CG1 C 13 19.528 . . . . . . . 331 V CG1 . 26725 1 653 . 1 1 52 52 VAL CG2 C 13 17.422 . . . . . . . 331 V CG2 . 26725 1 654 . 1 1 52 52 VAL N N 15 123.386 . . . . . . . 331 V N . 26725 1 655 . 1 1 53 53 GLU H H 1 8.613 . . . . . . . 332 E H . 26725 1 656 . 1 1 53 53 GLU HA H 1 4.242 . . . . . . . 332 E HA . 26725 1 657 . 1 1 53 53 GLU HB2 H 1 2.100 . . . . . . . 332 E HB2 . 26725 1 658 . 1 1 53 53 GLU HB3 H 1 2.367 . . . . . . . 332 E HB3 . 26725 1 659 . 1 1 53 53 GLU HG2 H 1 2.333 . . . . . . . 332 E HG2 . 26725 1 660 . 1 1 53 53 GLU HG3 H 1 3.141 . . . . . . . 332 E HG3 . 26725 1 661 . 1 1 53 53 GLU HE2 H 1 0.801 . . . . . . . 332 E HE2 . 26725 1 662 . 1 1 53 53 GLU C C 13 173.292 . . . . . . . 332 E C . 26725 1 663 . 1 1 53 53 GLU CA C 13 54.956 . . . . . . . 332 E CA . 26725 1 664 . 1 1 53 53 GLU CB C 13 28.594 . . . . . . . 332 E CB . 26725 1 665 . 1 1 53 53 GLU CG C 13 33.773 . . . . . . . 332 E CG . 26725 1 666 . 1 1 53 53 GLU N N 15 121.698 . . . . . . . 332 E N . 26725 1 667 . 1 1 54 54 VAL H H 1 7.612 . . . . . . . 333 V H . 26725 1 668 . 1 1 54 54 VAL HA H 1 4.701 . . . . . . . 333 V HA . 26725 1 669 . 1 1 54 54 VAL HB H 1 2.231 . . . . . . . 333 V HB . 26725 1 670 . 1 1 54 54 VAL HG11 H 1 0.917 . . . . . . . 333 V HG1* . 26725 1 671 . 1 1 54 54 VAL HG12 H 1 0.917 . . . . . . . 333 V HG1* . 26725 1 672 . 1 1 54 54 VAL HG13 H 1 0.917 . . . . . . . 333 V HG1* . 26725 1 673 . 1 1 54 54 VAL HG21 H 1 0.970 . . . . . . . 333 V HG2* . 26725 1 674 . 1 1 54 54 VAL HG22 H 1 0.970 . . . . . . . 333 V HG2* . 26725 1 675 . 1 1 54 54 VAL HG23 H 1 0.970 . . . . . . . 333 V HG2* . 26725 1 676 . 1 1 54 54 VAL CA C 13 55.456 . . . . . . . 333 V CA . 26725 1 677 . 1 1 54 54 VAL CB C 13 31.632 . . . . . . . 333 V CB . 26725 1 678 . 1 1 54 54 VAL CG1 C 13 17.201 . . . . . . . 333 V CG1 . 26725 1 679 . 1 1 54 54 VAL N N 15 113.445 . . . . . . . 333 V N . 26725 1 680 . 1 1 55 55 PRO HA H 1 4.207 . . . . . . . 334 P HA . 26725 1 681 . 1 1 55 55 PRO HB2 H 1 2.421 . . . . . . . 334 P HB2 . 26725 1 682 . 1 1 55 55 PRO HB3 H 1 1.804 . . . . . . . 334 P HB3 . 26725 1 683 . 1 1 55 55 PRO HG2 H 1 1.860 . . . . . . . 334 P HG2 . 26725 1 684 . 1 1 55 55 PRO HG3 H 1 2.006 . . . . . . . 334 P HG3 . 26725 1 685 . 1 1 55 55 PRO HD2 H 1 3.820 . . . . . . . 334 P HD2 . 26725 1 686 . 1 1 55 55 PRO HD3 H 1 3.669 . . . . . . . 334 P HD3 . 26725 1 687 . 1 1 55 55 PRO CA C 13 63.257 . . . . . . . 334 P CA . 26725 1 688 . 1 1 55 55 PRO CB C 13 29.706 . . . . . . . 334 P CB . 26725 1 689 . 1 1 55 55 PRO CG C 13 25.072 . . . . . . . 334 P CG . 26725 1 690 . 1 1 55 55 PRO CD C 13 48.146 . . . . . . . 334 P CD . 26725 1 691 . 1 1 56 56 ASP H H 1 8.944 . . . . . . . 335 D H . 26725 1 692 . 1 1 56 56 ASP HA H 1 4.882 . . . . . . . 335 D HA . 26725 1 693 . 1 1 56 56 ASP HB2 H 1 2.588 . . . . . . . 335 D HB2 . 26725 1 694 . 1 1 56 56 ASP HB3 H 1 2.534 . . . . . . . 335 D HB3 . 26725 1 695 . 1 1 56 56 ASP HD2 H 1 7.652 . . . . . . . 335 D HD2 . 26725 1 696 . 1 1 56 56 ASP C C 13 173.167 . . . . . . . 335 D C . 26725 1 697 . 1 1 56 56 ASP CA C 13 51.408 . . . . . . . 335 D CA . 26725 1 698 . 1 1 56 56 ASP CB C 13 36.522 . . . . . . . 335 D CB . 26725 1 699 . 1 1 56 56 ASP N N 15 114.281 . . . . . . . 335 D N . 26725 1 700 . 1 1 57 57 GLN H H 1 7.639 . . . . . . . 336 Q H . 26725 1 701 . 1 1 57 57 GLN HA H 1 4.194 . . . . . . . 336 Q HA . 26725 1 702 . 1 1 57 57 GLN HB2 H 1 2.151 . . . . . . . 336 Q HB2 . 26725 1 703 . 1 1 57 57 GLN HB3 H 1 1.462 . . . . . . . 336 Q HB3 . 26725 1 704 . 1 1 57 57 GLN HG2 H 1 2.623 . . . . . . . 336 Q HG2 . 26725 1 705 . 1 1 57 57 GLN HG3 H 1 3.132 . . . . . . . 336 Q HG3 . 26725 1 706 . 1 1 57 57 GLN HE21 H 1 7.660 . . . . . . . 336 Q HE21 . 26725 1 707 . 1 1 57 57 GLN HE22 H 1 7.152 . . . . . . . 336 Q HE22 . 26725 1 708 . 1 1 57 57 GLN C C 13 172.751 . . . . . . . 336 Q C . 26725 1 709 . 1 1 57 57 GLN CA C 13 54.831 . . . . . . . 336 Q CA . 26725 1 710 . 1 1 57 57 GLN CB C 13 27.348 . . . . . . . 336 Q CB . 26725 1 711 . 1 1 57 57 GLN CG C 13 32.731 . . . . . . . 336 Q CG . 26725 1 712 . 1 1 57 57 GLN N N 15 115.850 . . . . . . . 336 Q N . 26725 1 713 . 1 1 57 57 GLN NE2 N 15 112.122 . . . . . . . 336 Q NE2 . 26725 1 714 . 1 1 58 58 VAL H H 1 8.172 . . . . . . . 337 V H . 26725 1 715 . 1 1 58 58 VAL HA H 1 4.284 . . . . . . . 337 V HA . 26725 1 716 . 1 1 58 58 VAL HB H 1 2.027 . . . . . . . 337 V HB . 26725 1 717 . 1 1 58 58 VAL HG11 H 1 0.951 . . . . . . . 337 V HG1* . 26725 1 718 . 1 1 58 58 VAL HG12 H 1 0.951 . . . . . . . 337 V HG1* . 26725 1 719 . 1 1 58 58 VAL HG13 H 1 0.951 . . . . . . . 337 V HG1* . 26725 1 720 . 1 1 58 58 VAL HG21 H 1 0.869 . . . . . . . 337 V HG2* . 26725 1 721 . 1 1 58 58 VAL HG22 H 1 0.869 . . . . . . . 337 V HG2* . 26725 1 722 . 1 1 58 58 VAL HG23 H 1 0.869 . . . . . . . 337 V HG2* . 26725 1 723 . 1 1 58 58 VAL CA C 13 60.391 . . . . . . . 337 V CA . 26725 1 724 . 1 1 58 58 VAL CB C 13 31.980 . . . . . . . 337 V CB . 26725 1 725 . 1 1 58 58 VAL CG1 C 13 18.279 . . . . . . . 337 V CG1 . 26725 1 726 . 1 1 58 58 VAL CG2 C 13 19.304 . . . . . . . 337 V CG2 . 26725 1 727 . 1 1 58 58 VAL N N 15 115.742 . . . . . . . 337 V N . 26725 1 728 . 1 1 59 59 VAL H H 1 7.774 . . . . . . . 338 V H . 26725 1 729 . 1 1 59 59 VAL HA H 1 4.700 . . . . . . . 338 V HA . 26725 1 730 . 1 1 59 59 VAL HB H 1 2.050 . . . . . . . 338 V HB . 26725 1 731 . 1 1 59 59 VAL HG11 H 1 0.799 . . . . . . . 338 V HG1* . 26725 1 732 . 1 1 59 59 VAL HG12 H 1 0.799 . . . . . . . 338 V HG1* . 26725 1 733 . 1 1 59 59 VAL HG13 H 1 0.799 . . . . . . . 338 V HG1* . 26725 1 734 . 1 1 59 59 VAL HG21 H 1 0.844 . . . . . . . 338 V HG2* . 26725 1 735 . 1 1 59 59 VAL HG22 H 1 0.844 . . . . . . . 338 V HG2* . 26725 1 736 . 1 1 59 59 VAL HG23 H 1 0.844 . . . . . . . 338 V HG2* . 26725 1 737 . 1 1 59 59 VAL CA C 13 60.316 . . . . . . . 338 V CA . 26725 1 738 . 1 1 59 59 VAL CG1 C 13 19.701 . . . . . . . 338 V CG1 . 26725 1 739 . 1 1 59 59 VAL CG2 C 13 18.362 . . . . . . . 338 V CG2 . 26725 1 740 . 1 1 59 59 VAL N N 15 112.845 . . . . . . . 338 V N . 26725 1 741 . 1 1 60 60 ALA HA H 1 4.627 . . . . . . . 339 A HA . 26725 1 742 . 1 1 60 60 ALA HB1 H 1 1.303 . . . . . . . 339 A HB* . 26725 1 743 . 1 1 60 60 ALA HB2 H 1 1.303 . . . . . . . 339 A HB* . 26725 1 744 . 1 1 60 60 ALA HB3 H 1 1.303 . . . . . . . 339 A HB* . 26725 1 745 . 1 1 60 60 ALA C C 13 173.846 . . . . . . . 339 A C . 26725 1 746 . 1 1 60 60 ALA CA C 13 46.983 . . . . . . . 339 A CA . 26725 1 747 . 1 1 60 60 ALA CB C 13 19.372 . . . . . . . 339 A CB . 26725 1 748 . 1 1 61 61 VAL H H 1 8.501 . . . . . . . 340 V H . 26725 1 749 . 1 1 61 61 VAL HA H 1 3.143 . . . . . . . 340 V HA . 26725 1 750 . 1 1 61 61 VAL HB H 1 1.862 . . . . . . . 340 V HB . 26725 1 751 . 1 1 61 61 VAL HG11 H 1 0.886 . . . . . . . 340 V HG1* . 26725 1 752 . 1 1 61 61 VAL HG12 H 1 0.886 . . . . . . . 340 V HG1* . 26725 1 753 . 1 1 61 61 VAL HG13 H 1 0.886 . . . . . . . 340 V HG1* . 26725 1 754 . 1 1 61 61 VAL HG21 H 1 0.988 . . . . . . . 340 V HG2* . 26725 1 755 . 1 1 61 61 VAL HG22 H 1 0.988 . . . . . . . 340 V HG2* . 26725 1 756 . 1 1 61 61 VAL HG23 H 1 0.988 . . . . . . . 340 V HG2* . 26725 1 757 . 1 1 61 61 VAL C C 13 174.010 . . . . . . . 340 V C . 26725 1 758 . 1 1 61 61 VAL CA C 13 63.431 . . . . . . . 340 V CA . 26725 1 759 . 1 1 61 61 VAL CB C 13 28.321 . . . . . . . 340 V CB . 26725 1 760 . 1 1 61 61 VAL CG1 C 13 20.313 . . . . . . . 340 V CG1 . 26725 1 761 . 1 1 61 61 VAL CG2 C 13 18.815 . . . . . . . 340 V CG2 . 26725 1 762 . 1 1 61 61 VAL N N 15 119.798 . . . . . . . 340 V N . 26725 1 763 . 1 1 62 62 GLY H H 1 8.959 . . . . . . . 341 G H . 26725 1 764 . 1 1 62 62 GLY HA2 H 1 3.560 . . . . . . . 341 G HA2 . 26725 1 765 . 1 1 62 62 GLY HA3 H 1 4.526 . . . . . . . 341 G HA3 . 26725 1 766 . 1 1 62 62 GLY C C 13 170.774 . . . . . . . 341 G C . 26725 1 767 . 1 1 62 62 GLY CA C 13 41.876 . . . . . . . 341 G CA . 26725 1 768 . 1 1 62 62 GLY N N 15 116.840 . . . . . . . 341 G N . 26725 1 769 . 1 1 63 63 ASP H H 1 8.061 . . . . . . . 342 D H . 26725 1 770 . 1 1 63 63 ASP HA H 1 4.542 . . . . . . . 342 D HA . 26725 1 771 . 1 1 63 63 ASP HB2 H 1 2.690 . . . . . . . 342 D HB2 . 26725 1 772 . 1 1 63 63 ASP HB3 H 1 2.772 . . . . . . . 342 D HB3 . 26725 1 773 . 1 1 63 63 ASP C C 13 172.660 . . . . . . . 342 D C . 26725 1 774 . 1 1 63 63 ASP CA C 13 52.720 . . . . . . . 342 D CA . 26725 1 775 . 1 1 63 63 ASP CB C 13 38.130 . . . . . . . 342 D CB . 26725 1 776 . 1 1 63 63 ASP N N 15 121.959 . . . . . . . 342 D N . 26725 1 777 . 1 1 64 64 ASP H H 1 8.452 . . . . . . . 343 D H . 26725 1 778 . 1 1 64 64 ASP HA H 1 5.189 . . . . . . . 343 D HA . 26725 1 779 . 1 1 64 64 ASP HB2 H 1 2.698 . . . . . . . 343 D HB2 . 26725 1 780 . 1 1 64 64 ASP HB3 H 1 2.520 . . . . . . . 343 D HB3 . 26725 1 781 . 1 1 64 64 ASP HD2 H 1 5.194 . . . . . . . 343 D HD2 . 26725 1 782 . 1 1 64 64 ASP C C 13 172.238 . . . . . . . 343 D C . 26725 1 783 . 1 1 64 64 ASP CA C 13 51.883 . . . . . . . 343 D CA . 26725 1 784 . 1 1 64 64 ASP CB C 13 39.596 . . . . . . . 343 D CB . 26725 1 785 . 1 1 64 64 ASP N N 15 120.421 . . . . . . . 343 D N . 26725 1 786 . 1 1 65 65 ALA H H 1 8.590 . . . . . . . 344 A H . 26725 1 787 . 1 1 65 65 ALA HA H 1 4.643 . . . . . . . 344 A HA . 26725 1 788 . 1 1 65 65 ALA HB1 H 1 1.049 . . . . . . . 344 A HB* . 26725 1 789 . 1 1 65 65 ALA HB2 H 1 1.049 . . . . . . . 344 A HB* . 26725 1 790 . 1 1 65 65 ALA HB3 H 1 1.049 . . . . . . . 344 A HB* . 26725 1 791 . 1 1 65 65 ALA C C 13 172.001 . . . . . . . 344 A C . 26725 1 792 . 1 1 65 65 ALA CA C 13 48.351 . . . . . . . 344 A CA . 26725 1 793 . 1 1 65 65 ALA CB C 13 19.326 . . . . . . . 344 A CB . 26725 1 794 . 1 1 65 65 ALA N N 15 123.891 . . . . . . . 344 A N . 26725 1 795 . 1 1 66 66 MET H H 1 8.195 . . . . . . . 345 M H . 26725 1 796 . 1 1 66 66 MET HA H 1 5.056 . . . . . . . 345 M HA . 26725 1 797 . 1 1 66 66 MET HB2 H 1 1.589 . . . . . . . 345 M HB2 . 26725 1 798 . 1 1 66 66 MET HB3 H 1 1.982 . . . . . . . 345 M HB3 . 26725 1 799 . 1 1 66 66 MET HG2 H 1 2.547 . . . . . . . 345 M HG2 . 26725 1 800 . 1 1 66 66 MET HG3 H 1 2.627 . . . . . . . 345 M HG3 . 26725 1 801 . 1 1 66 66 MET HE1 H 1 1.579 . . . . . . . 345 M HE* . 26725 1 802 . 1 1 66 66 MET HE2 H 1 1.579 . . . . . . . 345 M HE* . 26725 1 803 . 1 1 66 66 MET HE3 H 1 1.579 . . . . . . . 345 M HE* . 26725 1 804 . 1 1 66 66 MET C C 13 171.747 . . . . . . . 345 M C . 26725 1 805 . 1 1 66 66 MET CA C 13 50.957 . . . . . . . 345 M CA . 26725 1 806 . 1 1 66 66 MET CB C 13 28.625 . . . . . . . 345 M CB . 26725 1 807 . 1 1 66 66 MET CG C 13 29.359 . . . . . . . 345 M CG . 26725 1 808 . 1 1 66 66 MET CE C 13 28.927 . . . . . . . 345 M CE . 26725 1 809 . 1 1 66 66 MET N N 15 121.111 . . . . . . . 345 M N . 26725 1 810 . 1 1 67 67 VAL H H 1 8.854 . . . . . . . 346 V H . 26725 1 811 . 1 1 67 67 VAL HA H 1 4.939 . . . . . . . 346 V HA . 26725 1 812 . 1 1 67 67 VAL HB H 1 1.736 . . . . . . . 346 V HB . 26725 1 813 . 1 1 67 67 VAL HG11 H 1 0.654 . . . . . . . 346 V HG1* . 26725 1 814 . 1 1 67 67 VAL HG12 H 1 0.654 . . . . . . . 346 V HG1* . 26725 1 815 . 1 1 67 67 VAL HG13 H 1 0.654 . . . . . . . 346 V HG1* . 26725 1 816 . 1 1 67 67 VAL HG21 H 1 0.661 . . . . . . . 346 V HG2* . 26725 1 817 . 1 1 67 67 VAL HG22 H 1 0.661 . . . . . . . 346 V HG2* . 26725 1 818 . 1 1 67 67 VAL HG23 H 1 0.661 . . . . . . . 346 V HG2* . 26725 1 819 . 1 1 67 67 VAL C C 13 169.740 . . . . . . . 346 V C . 26725 1 820 . 1 1 67 67 VAL CA C 13 55.208 . . . . . . . 346 V CA . 26725 1 821 . 1 1 67 67 VAL CB C 13 32.900 . . . . . . . 346 V CB . 26725 1 822 . 1 1 67 67 VAL CG1 C 13 20.513 . . . . . . . 346 V CG1 . 26725 1 823 . 1 1 67 67 VAL CG2 C 13 16.608 . . . . . . . 346 V CG2 . 26725 1 824 . 1 1 67 67 VAL N N 15 112.155 . . . . . . . 346 V N . 26725 1 825 . 1 1 68 68 LYS H H 1 8.932 . . . . . . . 347 K H . 26725 1 826 . 1 1 68 68 LYS HA H 1 4.979 . . . . . . . 347 K HA . 26725 1 827 . 1 1 68 68 LYS HB2 H 1 1.275 . . . . . . . 347 K HB2 . 26725 1 828 . 1 1 68 68 LYS HB3 H 1 1.565 . . . . . . . 347 K HB3 . 26725 1 829 . 1 1 68 68 LYS HG2 H 1 1.297 . . . . . . . 347 K HG2 . 26725 1 830 . 1 1 68 68 LYS HG3 H 1 1.011 . . . . . . . 347 K HG3 . 26725 1 831 . 1 1 68 68 LYS HD2 H 1 1.733 . . . . . . . 347 K HD2 . 26725 1 832 . 1 1 68 68 LYS HD3 H 1 1.558 . . . . . . . 347 K HD3 . 26725 1 833 . 1 1 68 68 LYS HE2 H 1 2.510 . . . . . . . 347 K HE2 . 26725 1 834 . 1 1 68 68 LYS HE3 H 1 2.963 . . . . . . . 347 K HE3 . 26725 1 835 . 1 1 68 68 LYS HZ1 H 1 8.814 . . . . . . . 347 K HZ* . 26725 1 836 . 1 1 68 68 LYS HZ2 H 1 8.814 . . . . . . . 347 K HZ* . 26725 1 837 . 1 1 68 68 LYS HZ3 H 1 8.814 . . . . . . . 347 K HZ* . 26725 1 838 . 1 1 68 68 LYS C C 13 172.806 . . . . . . . 347 K C . 26725 1 839 . 1 1 68 68 LYS CA C 13 51.867 . . . . . . . 347 K CA . 26725 1 840 . 1 1 68 68 LYS CB C 13 33.324 . . . . . . . 347 K CB . 26725 1 841 . 1 1 68 68 LYS CG C 13 22.520 . . . . . . . 347 K CG . 26725 1 842 . 1 1 68 68 LYS CD C 13 27.484 . . . . . . . 347 K CD . 26725 1 843 . 1 1 68 68 LYS CE C 13 39.181 . . . . . . . 347 K CE . 26725 1 844 . 1 1 68 68 LYS N N 15 122.613 . . . . . . . 347 K N . 26725 1 845 . 1 1 69 69 VAL H H 1 8.994 . . . . . . . 348 V H . 26725 1 846 . 1 1 69 69 VAL HA H 1 4.031 . . . . . . . 348 V HA . 26725 1 847 . 1 1 69 69 VAL HB H 1 2.002 . . . . . . . 348 V HB . 26725 1 848 . 1 1 69 69 VAL HG11 H 1 0.954 . . . . . . . 348 V HG1* . 26725 1 849 . 1 1 69 69 VAL HG12 H 1 0.954 . . . . . . . 348 V HG1* . 26725 1 850 . 1 1 69 69 VAL HG13 H 1 0.954 . . . . . . . 348 V HG1* . 26725 1 851 . 1 1 69 69 VAL HG21 H 1 0.915 . . . . . . . 348 V HG2* . 26725 1 852 . 1 1 69 69 VAL HG22 H 1 0.915 . . . . . . . 348 V HG2* . 26725 1 853 . 1 1 69 69 VAL HG23 H 1 0.915 . . . . . . . 348 V HG2* . 26725 1 854 . 1 1 69 69 VAL C C 13 172.262 . . . . . . . 348 V C . 26725 1 855 . 1 1 69 69 VAL CA C 13 60.623 . . . . . . . 348 V CA . 26725 1 856 . 1 1 69 69 VAL CB C 13 28.385 . . . . . . . 348 V CB . 26725 1 857 . 1 1 69 69 VAL CG1 C 13 18.288 . . . . . . . 348 V CG1 . 26725 1 858 . 1 1 69 69 VAL CG2 C 13 18.686 . . . . . . . 348 V CG2 . 26725 1 859 . 1 1 69 69 VAL N N 15 127.467 . . . . . . . 348 V N . 26725 1 860 . 1 1 70 70 ILE H H 1 8.647 . . . . . . . 349 I H . 26725 1 861 . 1 1 70 70 ILE HA H 1 4.558 . . . . . . . 349 I HA . 26725 1 862 . 1 1 70 70 ILE HB H 1 1.954 . . . . . . . 349 I HB . 26725 1 863 . 1 1 70 70 ILE HG12 H 1 1.143 . . . . . . . 349 I HG12 . 26725 1 864 . 1 1 70 70 ILE HG13 H 1 0.865 . . . . . . . 349 I HG13 . 26725 1 865 . 1 1 70 70 ILE HG21 H 1 0.814 . . . . . . . 349 I HG2* . 26725 1 866 . 1 1 70 70 ILE HG22 H 1 0.814 . . . . . . . 349 I HG2* . 26725 1 867 . 1 1 70 70 ILE HG23 H 1 0.814 . . . . . . . 349 I HG2* . 26725 1 868 . 1 1 70 70 ILE HD11 H 1 0.739 . . . . . . . 349 I HD1* . 26725 1 869 . 1 1 70 70 ILE HD12 H 1 0.739 . . . . . . . 349 I HD1* . 26725 1 870 . 1 1 70 70 ILE HD13 H 1 0.739 . . . . . . . 349 I HD1* . 26725 1 871 . 1 1 70 70 ILE CA C 13 58.785 . . . . . . . 349 I CA . 26725 1 872 . 1 1 70 70 ILE CB C 13 35.388 . . . . . . . 349 I CB . 26725 1 873 . 1 1 70 70 ILE CG1 C 13 24.045 . . . . . . . 349 I CG1 . 26725 1 874 . 1 1 70 70 ILE CG2 C 13 14.977 . . . . . . . 349 I CG2 . 26725 1 875 . 1 1 70 70 ILE CD1 C 13 9.652 . . . . . . . 349 I CD1 . 26725 1 876 . 1 1 70 70 ILE N N 15 125.374 . . . . . . . 349 I N . 26725 1 877 . 1 1 71 71 ASP H H 1 7.741 . . . . . . . 350 D H . 26725 1 878 . 1 1 71 71 ASP HA H 1 4.779 . . . . . . . 350 D HA . 26725 1 879 . 1 1 71 71 ASP HB2 H 1 2.471 . . . . . . . 350 D HB2 . 26725 1 880 . 1 1 71 71 ASP HB3 H 1 2.842 . . . . . . . 350 D HB3 . 26725 1 881 . 1 1 71 71 ASP HD2 H 1 3.482 . . . . . . . 350 D HD2 . 26725 1 882 . 1 1 71 71 ASP C C 13 171.069 . . . . . . . 350 D C . 26725 1 883 . 1 1 71 71 ASP CA C 13 52.479 . . . . . . . 350 D CA . 26725 1 884 . 1 1 71 71 ASP CB C 13 41.226 . . . . . . . 350 D CB . 26725 1 885 . 1 1 71 71 ASP N N 15 117.113 . . . . . . . 350 D N . 26725 1 886 . 1 1 72 72 ILE H H 1 8.151 . . . . . . . 351 I H . 26725 1 887 . 1 1 72 72 ILE HA H 1 4.430 . . . . . . . 351 I HA . 26725 1 888 . 1 1 72 72 ILE HB H 1 1.841 . . . . . . . 351 I HB . 26725 1 889 . 1 1 72 72 ILE HG12 H 1 0.999 . . . . . . . 351 I HG12 . 26725 1 890 . 1 1 72 72 ILE HG13 H 1 1.668 . . . . . . . 351 I HG13 . 26725 1 891 . 1 1 72 72 ILE HG21 H 1 1.001 . . . . . . . 351 I HG2* . 26725 1 892 . 1 1 72 72 ILE HG22 H 1 1.001 . . . . . . . 351 I HG2* . 26725 1 893 . 1 1 72 72 ILE HG23 H 1 1.001 . . . . . . . 351 I HG2* . 26725 1 894 . 1 1 72 72 ILE HD11 H 1 0.324 . . . . . . . 351 I HD1* . 26725 1 895 . 1 1 72 72 ILE HD12 H 1 0.324 . . . . . . . 351 I HD1* . 26725 1 896 . 1 1 72 72 ILE HD13 H 1 0.324 . . . . . . . 351 I HD1* . 26725 1 897 . 1 1 72 72 ILE C C 13 169.564 . . . . . . . 351 I C . 26725 1 898 . 1 1 72 72 ILE CA C 13 59.470 . . . . . . . 351 I CA . 26725 1 899 . 1 1 72 72 ILE CB C 13 38.800 . . . . . . . 351 I CB . 26725 1 900 . 1 1 72 72 ILE CG1 C 13 25.427 . . . . . . . 351 I CG1 . 26725 1 901 . 1 1 72 72 ILE CG2 C 13 14.307 . . . . . . . 351 I CG2 . 26725 1 902 . 1 1 72 72 ILE CD1 C 13 12.315 . . . . . . . 351 I CD1 . 26725 1 903 . 1 1 72 72 ILE N N 15 122.481 . . . . . . . 351 I N . 26725 1 904 . 1 1 73 73 ASP H H 1 8.806 . . . . . . . 352 D H . 26725 1 905 . 1 1 73 73 ASP HA H 1 5.001 . . . . . . . 352 D HA . 26725 1 906 . 1 1 73 73 ASP HB2 H 1 2.545 . . . . . . . 352 D HB2 . 26725 1 907 . 1 1 73 73 ASP HB3 H 1 2.971 . . . . . . . 352 D HB3 . 26725 1 908 . 1 1 73 73 ASP C C 13 173.310 . . . . . . . 352 D C . 26725 1 909 . 1 1 73 73 ASP CA C 13 49.362 . . . . . . . 352 D CA . 26725 1 910 . 1 1 73 73 ASP CB C 13 39.091 . . . . . . . 352 D CB . 26725 1 911 . 1 1 73 73 ASP N N 15 127.592 . . . . . . . 352 D N . 26725 1 912 . 1 1 74 74 LEU H H 1 9.005 . . . . . . . 353 L H . 26725 1 913 . 1 1 74 74 LEU HA H 1 4.064 . . . . . . . 353 L HA . 26725 1 914 . 1 1 74 74 LEU HB2 H 1 1.703 . . . . . . . 353 L HB2 . 26725 1 915 . 1 1 74 74 LEU HB3 H 1 1.792 . . . . . . . 353 L HB3 . 26725 1 916 . 1 1 74 74 LEU HG H 1 1.302 . . . . . . . 353 L HG . 26725 1 917 . 1 1 74 74 LEU HD11 H 1 0.890 . . . . . . . 353 L HD1* . 26725 1 918 . 1 1 74 74 LEU HD12 H 1 0.890 . . . . . . . 353 L HD1* . 26725 1 919 . 1 1 74 74 LEU HD13 H 1 0.890 . . . . . . . 353 L HD1* . 26725 1 920 . 1 1 74 74 LEU HD21 H 1 1.019 . . . . . . . 353 L HD2* . 26725 1 921 . 1 1 74 74 LEU HD22 H 1 1.019 . . . . . . . 353 L HD2* . 26725 1 922 . 1 1 74 74 LEU HD23 H 1 1.019 . . . . . . . 353 L HD2* . 26725 1 923 . 1 1 74 74 LEU C C 13 173.654 . . . . . . . 353 L C . 26725 1 924 . 1 1 74 74 LEU CA C 13 54.870 . . . . . . . 353 L CA . 26725 1 925 . 1 1 74 74 LEU CB C 13 39.321 . . . . . . . 353 L CB . 26725 1 926 . 1 1 74 74 LEU CG C 13 24.704 . . . . . . . 353 L CG . 26725 1 927 . 1 1 74 74 LEU CD1 C 13 22.709 . . . . . . . 353 L CD1 . 26725 1 928 . 1 1 74 74 LEU CD2 C 13 21.494 . . . . . . . 353 L CD2 . 26725 1 929 . 1 1 74 74 LEU N N 15 124.970 . . . . . . . 353 L N . 26725 1 930 . 1 1 75 75 GLU H H 1 8.304 . . . . . . . 354 E H . 26725 1 931 . 1 1 75 75 GLU HA H 1 4.077 . . . . . . . 354 E HA . 26725 1 932 . 1 1 75 75 GLU HB2 H 1 2.102 . . . . . . . 354 E HB2 . 26725 1 933 . 1 1 75 75 GLU HB3 H 1 2.293 . . . . . . . 354 E HB3 . 26725 1 934 . 1 1 75 75 GLU HG2 H 1 2.316 . . . . . . . 354 E HG2 . 26725 1 935 . 1 1 75 75 GLU HG3 H 1 2.055 . . . . . . . 354 E HG3 . 26725 1 936 . 1 1 75 75 GLU HE2 H 1 4.527 . . . . . . . 354 E HE2 . 26725 1 937 . 1 1 75 75 GLU C C 13 174.898 . . . . . . . 354 E C . 26725 1 938 . 1 1 75 75 GLU CA C 13 56.499 . . . . . . . 354 E CA . 26725 1 939 . 1 1 75 75 GLU CB C 13 26.807 . . . . . . . 354 E CB . 26725 1 940 . 1 1 75 75 GLU CG C 13 33.796 . . . . . . . 354 E CG . 26725 1 941 . 1 1 75 75 GLU N N 15 119.102 . . . . . . . 354 E N . 26725 1 942 . 1 1 76 76 ARG H H 1 7.677 . . . . . . . 355 R H . 26725 1 943 . 1 1 76 76 ARG HA H 1 4.128 . . . . . . . 355 R HA . 26725 1 944 . 1 1 76 76 ARG HB2 H 1 1.290 . . . . . . . 355 R HB2 . 26725 1 945 . 1 1 76 76 ARG HB3 H 1 1.788 . . . . . . . 355 R HB3 . 26725 1 946 . 1 1 76 76 ARG HG2 H 1 1.764 . . . . . . . 355 R HG2 . 26725 1 947 . 1 1 76 76 ARG HG3 H 1 2.185 . . . . . . . 355 R HG3 . 26725 1 948 . 1 1 76 76 ARG HD2 H 1 3.101 . . . . . . . 355 R HD2 . 26725 1 949 . 1 1 76 76 ARG HD3 H 1 2.668 . . . . . . . 355 R HD3 . 26725 1 950 . 1 1 76 76 ARG HH11 H 1 8.178 . . . . . . . 355 R HH11 . 26725 1 951 . 1 1 76 76 ARG HH21 H 1 8.610 . . . . . . . 355 R HH21 . 26725 1 952 . 1 1 76 76 ARG C C 13 171.307 . . . . . . . 355 R C . 26725 1 953 . 1 1 76 76 ARG CA C 13 52.690 . . . . . . . 355 R CA . 26725 1 954 . 1 1 76 76 ARG CB C 13 27.501 . . . . . . . 355 R CB . 26725 1 955 . 1 1 76 76 ARG CG C 13 25.602 . . . . . . . 355 R CG . 26725 1 956 . 1 1 76 76 ARG CD C 13 40.175 . . . . . . . 355 R CD . 26725 1 957 . 1 1 76 76 ARG N N 15 115.496 . . . . . . . 355 R N . 26725 1 958 . 1 1 77 77 ARG H H 1 7.396 . . . . . . . 356 R H . 26725 1 959 . 1 1 77 77 ARG HA H 1 2.585 . . . . . . . 356 R HA . 26725 1 960 . 1 1 77 77 ARG HB2 H 1 0.327 . . . . . . . 356 R HB2 . 26725 1 961 . 1 1 77 77 ARG HB3 H 1 1.465 . . . . . . . 356 R HB3 . 26725 1 962 . 1 1 77 77 ARG HG2 H 1 0.383 . . . . . . . 356 R HG2 . 26725 1 963 . 1 1 77 77 ARG HG3 H 1 0.921 . . . . . . . 356 R HG3 . 26725 1 964 . 1 1 77 77 ARG HD2 H 1 2.534 . . . . . . . 356 R HD2 . 26725 1 965 . 1 1 77 77 ARG HD3 H 1 2.480 . . . . . . . 356 R HD3 . 26725 1 966 . 1 1 77 77 ARG HE H 1 7.763 . . . . . . . 356 R HE . 26725 1 967 . 1 1 77 77 ARG HH11 H 1 6.995 . . . . . . . 356 R HH11 . 26725 1 968 . 1 1 77 77 ARG HH12 H 1 8.270 . . . . . . . 356 R HH12 . 26725 1 969 . 1 1 77 77 ARG HH21 H 1 8.247 . . . . . . . 356 R HH21 . 26725 1 970 . 1 1 77 77 ARG HH22 H 1 8.406 . . . . . . . 356 R HH22 . 26725 1 971 . 1 1 77 77 ARG C C 13 174.749 . . . . . . . 356 R C . 26725 1 972 . 1 1 77 77 ARG CA C 13 54.137 . . . . . . . 356 R CA . 26725 1 973 . 1 1 77 77 ARG CB C 13 23.481 . . . . . . . 356 R CB . 26725 1 974 . 1 1 77 77 ARG CG C 13 24.439 . . . . . . . 356 R CG . 26725 1 975 . 1 1 77 77 ARG CD C 13 40.845 . . . . . . . 356 R CD . 26725 1 976 . 1 1 77 77 ARG N N 15 117.650 . . . . . . . 356 R N . 26725 1 977 . 1 1 78 78 ARG H H 1 7.897 . . . . . . . 357 R H . 26725 1 978 . 1 1 78 78 ARG HA H 1 4.894 . . . . . . . 357 R HA . 26725 1 979 . 1 1 78 78 ARG HB2 H 1 1.561 . . . . . . . 357 R HB2 . 26725 1 980 . 1 1 78 78 ARG HB3 H 1 1.793 . . . . . . . 357 R HB3 . 26725 1 981 . 1 1 78 78 ARG HG2 H 1 1.398 . . . . . . . 357 R HG2 . 26725 1 982 . 1 1 78 78 ARG HG3 H 1 1.499 . . . . . . . 357 R HG3 . 26725 1 983 . 1 1 78 78 ARG HD2 H 1 3.119 . . . . . . . 357 R HD2 . 26725 1 984 . 1 1 78 78 ARG HD3 H 1 2.474 . . . . . . . 357 R HD3 . 26725 1 985 . 1 1 78 78 ARG HH11 H 1 8.634 . . . . . . . 357 R HH11 . 26725 1 986 . 1 1 78 78 ARG C C 13 171.209 . . . . . . . 357 R C . 26725 1 987 . 1 1 78 78 ARG CA C 13 51.828 . . . . . . . 357 R CA . 26725 1 988 . 1 1 78 78 ARG CB C 13 31.525 . . . . . . . 357 R CB . 26725 1 989 . 1 1 78 78 ARG CG C 13 24.154 . . . . . . . 357 R CG . 26725 1 990 . 1 1 78 78 ARG CD C 13 41.014 . . . . . . . 357 R CD . 26725 1 991 . 1 1 78 78 ARG N N 15 117.259 . . . . . . . 357 R N . 26725 1 992 . 1 1 79 79 ILE H H 1 9.157 . . . . . . . 358 I H . 26725 1 993 . 1 1 79 79 ILE HA H 1 4.883 . . . . . . . 358 I HA . 26725 1 994 . 1 1 79 79 ILE HB H 1 1.714 . . . . . . . 358 I HB . 26725 1 995 . 1 1 79 79 ILE HG12 H 1 1.338 . . . . . . . 358 I HG12 . 26725 1 996 . 1 1 79 79 ILE HG13 H 1 1.004 . . . . . . . 358 I HG13 . 26725 1 997 . 1 1 79 79 ILE HG21 H 1 0.822 . . . . . . . 358 I HG2* . 26725 1 998 . 1 1 79 79 ILE HG22 H 1 0.822 . . . . . . . 358 I HG2* . 26725 1 999 . 1 1 79 79 ILE HG23 H 1 0.822 . . . . . . . 358 I HG2* . 26725 1 1000 . 1 1 79 79 ILE HD11 H 1 0.330 . . . . . . . 358 I HD1* . 26725 1 1001 . 1 1 79 79 ILE HD12 H 1 0.330 . . . . . . . 358 I HD1* . 26725 1 1002 . 1 1 79 79 ILE HD13 H 1 0.330 . . . . . . . 358 I HD1* . 26725 1 1003 . 1 1 79 79 ILE C C 13 170.962 . . . . . . . 358 I C . 26725 1 1004 . 1 1 79 79 ILE CA C 13 57.087 . . . . . . . 358 I CA . 26725 1 1005 . 1 1 79 79 ILE CB C 13 38.814 . . . . . . . 358 I CB . 26725 1 1006 . 1 1 79 79 ILE CG1 C 13 25.454 . . . . . . . 358 I CG1 . 26725 1 1007 . 1 1 79 79 ILE CG2 C 13 14.425 . . . . . . . 358 I CG2 . 26725 1 1008 . 1 1 79 79 ILE CD1 C 13 12.335 . . . . . . . 358 I CD1 . 26725 1 1009 . 1 1 79 79 ILE N N 15 124.644 . . . . . . . 358 I N . 26725 1 1010 . 1 1 80 80 SER H H 1 8.635 . . . . . . . 359 S H . 26725 1 1011 . 1 1 80 80 SER HA H 1 5.126 . . . . . . . 359 S HA . 26725 1 1012 . 1 1 80 80 SER HB2 H 1 3.739 . . . . . . . 359 S HB2 . 26725 1 1013 . 1 1 80 80 SER HB3 H 1 3.839 . . . . . . . 359 S HB3 . 26725 1 1014 . 1 1 80 80 SER HG H 1 4.295 . . . . . . . 359 S HG . 26725 1 1015 . 1 1 80 80 SER C C 13 170.074 . . . . . . . 359 S C . 26725 1 1016 . 1 1 80 80 SER CA C 13 54.683 . . . . . . . 359 S CA . 26725 1 1017 . 1 1 80 80 SER CB C 13 61.670 . . . . . . . 359 S CB . 26725 1 1018 . 1 1 80 80 SER N N 15 122.137 . . . . . . . 359 S N . 26725 1 1019 . 1 1 81 81 LEU H H 1 8.451 . . . . . . . 360 L H . 26725 1 1020 . 1 1 81 81 LEU HA H 1 5.561 . . . . . . . 360 L HA . 26725 1 1021 . 1 1 81 81 LEU HB2 H 1 1.538 . . . . . . . 360 L HB2 . 26725 1 1022 . 1 1 81 81 LEU HB3 H 1 1.039 . . . . . . . 360 L HB3 . 26725 1 1023 . 1 1 81 81 LEU HG H 1 2.449 . . . . . . . 360 L HG . 26725 1 1024 . 1 1 81 81 LEU HD11 H 1 0.671 . . . . . . . 360 L HD1* . 26725 1 1025 . 1 1 81 81 LEU HD12 H 1 0.671 . . . . . . . 360 L HD1* . 26725 1 1026 . 1 1 81 81 LEU HD13 H 1 0.671 . . . . . . . 360 L HD1* . 26725 1 1027 . 1 1 81 81 LEU HD21 H 1 1.019 . . . . . . . 360 L HD2* . 26725 1 1028 . 1 1 81 81 LEU HD22 H 1 1.019 . . . . . . . 360 L HD2* . 26725 1 1029 . 1 1 81 81 LEU HD23 H 1 1.019 . . . . . . . 360 L HD2* . 26725 1 1030 . 1 1 81 81 LEU C C 13 172.411 . . . . . . . 360 L C . 26725 1 1031 . 1 1 81 81 LEU CA C 13 50.028 . . . . . . . 360 L CA . 26725 1 1032 . 1 1 81 81 LEU CB C 13 45.235 . . . . . . . 360 L CB . 26725 1 1033 . 1 1 81 81 LEU CG C 13 32.425 . . . . . . . 360 L CG . 26725 1 1034 . 1 1 81 81 LEU CD1 C 13 23.918 . . . . . . . 360 L CD1 . 26725 1 1035 . 1 1 81 81 LEU CD2 C 13 24.296 . . . . . . . 360 L CD2 . 26725 1 1036 . 1 1 81 81 LEU N N 15 125.449 . . . . . . . 360 L N . 26725 1 1037 . 1 1 82 82 SER H H 1 8.897 . . . . . . . 361 S H . 26725 1 1038 . 1 1 82 82 SER HA H 1 5.015 . . . . . . . 361 S HA . 26725 1 1039 . 1 1 82 82 SER HB2 H 1 3.477 . . . . . . . 361 S HB2 . 26725 1 1040 . 1 1 82 82 SER HB3 H 1 3.999 . . . . . . . 361 S HB3 . 26725 1 1041 . 1 1 82 82 SER HG H 1 4.801 . . . . . . . 361 S HG . 26725 1 1042 . 1 1 82 82 SER C C 13 171.971 . . . . . . . 361 S C . 26725 1 1043 . 1 1 82 82 SER CA C 13 54.686 . . . . . . . 361 S CA . 26725 1 1044 . 1 1 82 82 SER CB C 13 62.648 . . . . . . . 361 S CB . 26725 1 1045 . 1 1 82 82 SER N N 15 111.091 . . . . . . . 361 S N . 26725 1 1046 . 1 1 83 83 LEU H H 1 8.649 . . . . . . . 362 L H . 26725 1 1047 . 1 1 83 83 LEU HA H 1 4.416 . . . . . . . 362 L HA . 26725 1 1048 . 1 1 83 83 LEU HB2 H 1 1.785 . . . . . . . 362 L HB2 . 26725 1 1049 . 1 1 83 83 LEU HB3 H 1 2.440 . . . . . . . 362 L HB3 . 26725 1 1050 . 1 1 83 83 LEU HG H 1 2.160 . . . . . . . 362 L HG . 26725 1 1051 . 1 1 83 83 LEU HD11 H 1 0.355 . . . . . . . 362 L HD1* . 26725 1 1052 . 1 1 83 83 LEU HD12 H 1 0.355 . . . . . . . 362 L HD1* . 26725 1 1053 . 1 1 83 83 LEU HD13 H 1 0.355 . . . . . . . 362 L HD1* . 26725 1 1054 . 1 1 83 83 LEU HD21 H 1 0.913 . . . . . . . 362 L HD2* . 26725 1 1055 . 1 1 83 83 LEU HD22 H 1 0.913 . . . . . . . 362 L HD2* . 26725 1 1056 . 1 1 83 83 LEU HD23 H 1 0.913 . . . . . . . 362 L HD2* . 26725 1 1057 . 1 1 83 83 LEU C C 13 175.627 . . . . . . . 362 L C . 26725 1 1058 . 1 1 83 83 LEU CA C 13 62.693 . . . . . . . 362 L CA . 26725 1 1059 . 1 1 83 83 LEU CB C 13 29.666 . . . . . . . 362 L CB . 26725 1 1060 . 1 1 83 83 LEU CG C 13 29.818 . . . . . . . 362 L CG . 26725 1 1061 . 1 1 83 83 LEU CD1 C 13 24.711 . . . . . . . 362 L CD1 . 26725 1 1062 . 1 1 83 83 LEU CD2 C 13 24.995 . . . . . . . 362 L CD2 . 26725 1 1063 . 1 1 84 84 LYS H H 1 8.449 . . . . . . . 363 K H . 26725 1 1064 . 1 1 84 84 LYS HA H 1 3.999 . . . . . . . 363 K HA . 26725 1 1065 . 1 1 84 84 LYS HB2 H 1 3.194 . . . . . . . 363 K HB2 . 26725 1 1066 . 1 1 84 84 LYS HB3 H 1 3.454 . . . . . . . 363 K HB3 . 26725 1 1067 . 1 1 84 84 LYS HG2 H 1 1.836 . . . . . . . 363 K HG2 . 26725 1 1068 . 1 1 84 84 LYS HG3 H 1 1.398 . . . . . . . 363 K HG3 . 26725 1 1069 . 1 1 84 84 LYS HD3 H 1 1.676 . . . . . . . 363 K HD3 . 26725 1 1070 . 1 1 84 84 LYS HE2 H 1 3.866 . . . . . . . 363 K HE2 . 26725 1 1071 . 1 1 84 84 LYS HE3 H 1 4.006 . . . . . . . 363 K HE3 . 26725 1 1072 . 1 1 84 84 LYS HZ1 H 1 7.363 . . . . . . . 363 K HZ* . 26725 1 1073 . 1 1 84 84 LYS HZ2 H 1 7.363 . . . . . . . 363 K HZ* . 26725 1 1074 . 1 1 84 84 LYS HZ3 H 1 7.363 . . . . . . . 363 K HZ* . 26725 1 1075 . 1 1 84 84 LYS C C 13 174.848 . . . . . . . 363 K C . 26725 1 1076 . 1 1 84 84 LYS CA C 13 59.069 . . . . . . . 363 K CA . 26725 1 1077 . 1 1 84 84 LYS CB C 13 25.312 . . . . . . . 363 K CB . 26725 1 1078 . 1 1 84 84 LYS CG C 13 29.785 . . . . . . . 363 K CG . 26725 1 1079 . 1 1 84 84 LYS CE C 13 42.671 . . . . . . . 363 K CE . 26725 1 1080 . 1 1 84 84 LYS N N 15 121.204 . . . . . . . 363 K N . 26725 1 1081 . 1 1 85 85 GLN H H 1 8.162 . . . . . . . 364 Q H . 26725 1 1082 . 1 1 85 85 GLN HA H 1 4.111 . . . . . . . 364 Q HA . 26725 1 1083 . 1 1 85 85 GLN HB2 H 1 2.354 . . . . . . . 364 Q HB2 . 26725 1 1084 . 1 1 85 85 GLN HB3 H 1 4.806 . . . . . . . 364 Q HB3 . 26725 1 1085 . 1 1 85 85 GLN HG2 H 1 2.151 . . . . . . . 364 Q HG2 . 26725 1 1086 . 1 1 85 85 GLN HG3 H 1 2.611 . . . . . . . 364 Q HG3 . 26725 1 1087 . 1 1 85 85 GLN HE21 H 1 7.600 . . . . . . . 364 Q HE21 . 26725 1 1088 . 1 1 85 85 GLN HE22 H 1 6.888 . . . . . . . 364 Q HE22 . 26725 1 1089 . 1 1 85 85 GLN C C 13 175.495 . . . . . . . 364 Q C . 26725 1 1090 . 1 1 85 85 GLN CA C 13 56.726 . . . . . . . 364 Q CA . 26725 1 1091 . 1 1 85 85 GLN CB C 13 26.905 . . . . . . . 364 Q CB . 26725 1 1092 . 1 1 85 85 GLN CG C 13 30.578 . . . . . . . 364 Q CG . 26725 1 1093 . 1 1 85 85 GLN N N 15 120.164 . . . . . . . 364 Q N . 26725 1 1094 . 1 1 85 85 GLN NE2 N 15 112.536 . . . . . . . 364 Q NE2 . 26725 1 1095 . 1 1 86 86 ALA H H 1 7.991 . . . . . . . 365 A H . 26725 1 1096 . 1 1 86 86 ALA HA H 1 4.191 . . . . . . . 365 A HA . 26725 1 1097 . 1 1 86 86 ALA HB1 H 1 1.459 . . . . . . . 365 A HB* . 26725 1 1098 . 1 1 86 86 ALA HB2 H 1 1.459 . . . . . . . 365 A HB* . 26725 1 1099 . 1 1 86 86 ALA HB3 H 1 1.459 . . . . . . . 365 A HB* . 26725 1 1100 . 1 1 86 86 ALA CA C 13 50.787 . . . . . . . 365 A CA . 26725 1 1101 . 1 1 86 86 ALA CB C 13 16.550 . . . . . . . 365 A CB . 26725 1 1102 . 1 1 87 87 ASN H H 1 7.755 . . . . . . . 366 N H . 26725 1 1103 . 1 1 87 87 ASN HA H 1 4.590 . . . . . . . 366 N HA . 26725 1 1104 . 1 1 87 87 ASN HB2 H 1 2.836 . . . . . . . 366 N HB2 . 26725 1 1105 . 1 1 87 87 ASN HB3 H 1 2.857 . . . . . . . 366 N HB3 . 26725 1 1106 . 1 1 87 87 ASN HD21 H 1 7.730 . . . . . . . 366 N HD21 . 26725 1 1107 . 1 1 87 87 ASN HD22 H 1 6.907 . . . . . . . 366 N HD22 . 26725 1 1108 . 1 1 87 87 ASN C C 13 172.921 . . . . . . . 366 N C . 26725 1 1109 . 1 1 87 87 ASN CA C 13 51.736 . . . . . . . 366 N CA . 26725 1 1110 . 1 1 87 87 ASN CB C 13 36.018 . . . . . . . 366 N CB . 26725 1 1111 . 1 1 87 87 ASN N N 15 116.255 . . . . . . . 366 N N . 26725 1 1112 . 1 1 87 87 ASN ND2 N 15 112.628 . . . . . . . 366 N ND2 . 26725 1 1113 . 1 1 88 88 GLU H H 1 8.027 . . . . . . . 367 E H . 26725 1 1114 . 1 1 88 88 GLU HA H 1 4.158 . . . . . . . 367 E HA . 26725 1 1115 . 1 1 88 88 GLU HB2 H 1 2.025 . . . . . . . 367 E HB2 . 26725 1 1116 . 1 1 88 88 GLU HB3 H 1 2.285 . . . . . . . 367 E HB3 . 26725 1 1117 . 1 1 88 88 GLU HG2 H 1 2.306 . . . . . . . 367 E HG2 . 26725 1 1118 . 1 1 88 88 GLU HG3 H 1 1.317 . . . . . . . 367 E HG3 . 26725 1 1119 . 1 1 88 88 GLU HE2 H 1 4.744 . . . . . . . 367 E HE2 . 26725 1 1120 . 1 1 88 88 GLU C C 13 173.306 . . . . . . . 367 E C . 26725 1 1121 . 1 1 88 88 GLU CA C 13 55.025 . . . . . . . 367 E CA . 26725 1 1122 . 1 1 88 88 GLU CB C 13 27.409 . . . . . . . 367 E CB . 26725 1 1123 . 1 1 88 88 GLU CG C 13 33.354 . . . . . . . 367 E CG . 26725 1 1124 . 1 1 88 88 GLU N N 15 120.182 . . . . . . . 367 E N . 26725 1 1125 . 1 1 89 89 ASP H H 1 8.106 . . . . . . . 368 D H . 26725 1 1126 . 1 1 89 89 ASP HA H 1 4.542 . . . . . . . 368 D HA . 26725 1 1127 . 1 1 89 89 ASP HB2 H 1 2.725 . . . . . . . 368 D HB2 . 26725 1 1128 . 1 1 89 89 ASP HB3 H 1 2.850 . . . . . . . 368 D HB3 . 26725 1 1129 . 1 1 89 89 ASP HD2 H 1 5.194 . . . . . . . 368 D HD2 . 26725 1 1130 . 1 1 89 89 ASP C C 13 173.804 . . . . . . . 368 D C . 26725 1 1131 . 1 1 89 89 ASP CA C 13 52.614 . . . . . . . 368 D CA . 26725 1 1132 . 1 1 89 89 ASP CB C 13 38.336 . . . . . . . 368 D CB . 26725 1 1133 . 1 1 89 89 ASP N N 15 120.677 . . . . . . . 368 D N . 26725 1 stop_ save_