data_18527 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18527 _Entry.Title ; 1H chemical shifts for the C-terminal beta-tubulin 394-455 fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-16 _Entry.Accession_date 2012-06-16 _Entry.Last_release_date 2012-06-18 _Entry.Original_release_date 2012-06-18 _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 . _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 'M. Angeles' Jimenez . . . . 18527 2 Jose Andreu . M. . . 18527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 340 18527 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-13 . original BMRB . 18527 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18528 'alpha tubulin 404-451' 18527 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18527 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1110/ps.8.4.788 _Citation.PubMed_ID 10211825 _Citation.Full_citation . _Citation.Title ; Helicity of alpha(404-451) and bet(394-445) tubulin C-terminal recombinant peptides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 788 _Citation.Page_last 799 _Citation.Year 1999 _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 'M. Angeles' Andreu . . . . 18527 1 2 Juan Evangelio . A. . . 18527 1 3 Carlos Aranda . . . . 18527 1 4 Adamari Lopez-Brauet . . . . 18527 1 5 David Andreu . . . . 18527 1 6 Manuel Rico . . . . 18527 1 7 Rosalba Lagos . . . . 18527 1 8 Jose Andreu . M. . . 18527 1 9 Octavio Monasterio . . . . 18527 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD 18527 1 helix 18527 1 microtubule 18527 1 tubulin 18527 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18527 _Assembly.ID 1 _Assembly.Name 'beta tubulin 394-445' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'beta tubulin 394-445' 1 $beta_tubulin_394-445 A . yes native no no . . . 18527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta_tubulin_394-445 _Entity.Sf_category entity _Entity.Sf_framecode beta_tubulin_394-445 _Entity.Entry_ID 18527 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta_tubulin_394-445 _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 ; ARIRAPFLHWYTGEGMDEME FTEAESNMNDLVSEYQQYQD ATADEQGEFEEEGEEDEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; ARIRAP is the N-terminal cloning tag First non-tag residue is F394 ; _Entity.Polymer_author_seq_details 'ARIRAP is the N-terminal cloning tag' _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 58 _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 1 388 ALA . 18527 1 2 389 ARG . 18527 1 3 390 ILE . 18527 1 4 391 ARG . 18527 1 5 392 ALA . 18527 1 6 393 PRO . 18527 1 7 394 PHE . 18527 1 8 395 LEU . 18527 1 9 396 HIS . 18527 1 10 397 TRP . 18527 1 11 398 TYR . 18527 1 12 399 THR . 18527 1 13 400 GLY . 18527 1 14 401 GLU . 18527 1 15 402 GLY . 18527 1 16 403 MET . 18527 1 17 404 ASP . 18527 1 18 405 GLU . 18527 1 19 406 MET . 18527 1 20 407 GLU . 18527 1 21 408 PHE . 18527 1 22 409 THR . 18527 1 23 410 GLU . 18527 1 24 411 ALA . 18527 1 25 412 GLU . 18527 1 26 413 SER . 18527 1 27 414 ASN . 18527 1 28 415 MET . 18527 1 29 416 ASN . 18527 1 30 417 ASP . 18527 1 31 418 LEU . 18527 1 32 419 VAL . 18527 1 33 420 SER . 18527 1 34 421 GLU . 18527 1 35 422 TYR . 18527 1 36 423 GLN . 18527 1 37 424 GLN . 18527 1 38 425 TYR . 18527 1 39 426 GLN . 18527 1 40 427 ASP . 18527 1 41 428 ALA . 18527 1 42 429 THR . 18527 1 43 430 ALA . 18527 1 44 431 ASP . 18527 1 45 432 GLU . 18527 1 46 433 GLN . 18527 1 47 434 GLY . 18527 1 48 435 GLU . 18527 1 49 436 PHE . 18527 1 50 437 GLU . 18527 1 51 438 GLU . 18527 1 52 439 GLU . 18527 1 53 440 GLY . 18527 1 54 441 GLU . 18527 1 55 442 GLU . 18527 1 56 443 ASP . 18527 1 57 444 GLU . 18527 1 58 445 ALA . 18527 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 . ALA 1 1 18527 1 . ARG 2 2 18527 1 . ILE 3 3 18527 1 . ARG 4 4 18527 1 . ALA 5 5 18527 1 . PRO 6 6 18527 1 . PHE 7 7 18527 1 . LEU 8 8 18527 1 . HIS 9 9 18527 1 . TRP 10 10 18527 1 . TYR 11 11 18527 1 . THR 12 12 18527 1 . GLY 13 13 18527 1 . GLU 14 14 18527 1 . GLY 15 15 18527 1 . MET 16 16 18527 1 . ASP 17 17 18527 1 . GLU 18 18 18527 1 . MET 19 19 18527 1 . GLU 20 20 18527 1 . PHE 21 21 18527 1 . THR 22 22 18527 1 . GLU 23 23 18527 1 . ALA 24 24 18527 1 . GLU 25 25 18527 1 . SER 26 26 18527 1 . ASN 27 27 18527 1 . MET 28 28 18527 1 . ASN 29 29 18527 1 . ASP 30 30 18527 1 . LEU 31 31 18527 1 . VAL 32 32 18527 1 . SER 33 33 18527 1 . GLU 34 34 18527 1 . TYR 35 35 18527 1 . GLN 36 36 18527 1 . GLN 37 37 18527 1 . TYR 38 38 18527 1 . GLN 39 39 18527 1 . ASP 40 40 18527 1 . ALA 41 41 18527 1 . THR 42 42 18527 1 . ALA 43 43 18527 1 . ASP 44 44 18527 1 . GLU 45 45 18527 1 . GLN 46 46 18527 1 . GLY 47 47 18527 1 . GLU 48 48 18527 1 . PHE 49 49 18527 1 . GLU 50 50 18527 1 . GLU 51 51 18527 1 . GLU 52 52 18527 1 . GLY 53 53 18527 1 . GLU 54 54 18527 1 . GLU 55 55 18527 1 . ASP 56 56 18527 1 . GLU 57 57 18527 1 . ALA 58 58 18527 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 18527 _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 $beta_tubulin_394-445 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18527 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 18527 _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 $beta_tubulin_394-445 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pT7-7 . . . 18527 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18527 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'beta tubulin 394-445' 'natural abundance' . . 1 $beta_tubulin_394-445 . . 2 . . mM . . . . 18527 1 2 H2O 'natural abundance' . . . . . . 63 . . v/v . . . . 18527 1 3 D2O 'natural abundance' . . . . . . 7 . . v/v . . . . 18527 1 4 TFE '[U-99% 2H]' . . . . . . 30 . . v/v . . . . 18527 1 5 TSP 'natural abundance' . . . . . . 0.2 . . mM . . . . 18527 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 18527 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 18527 1 pH 7.0 . pH 18527 1 pressure 1 . atm 18527 1 temperature 298 . K 18527 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18527 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18527 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18527 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 18527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18527 _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 AMX . 600 . . . 18527 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 18527 _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-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18527 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18527 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18527 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 18527 _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 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 18527 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 18527 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _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-1H COSY' . . . 18527 1 2 '2D 1H-1H TOCSY' . . . 18527 1 3 '2D 1H-1H NOESY' . . . 18527 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 ALA HA H 1 4.16 0.01 . 1 . . . . 388 ALA HA . 18527 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 0.01 . 1 . . . . 388 ALA QB . 18527 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 0.01 . 1 . . . . 388 ALA QB . 18527 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 0.01 . 1 . . . . 388 ALA QB . 18527 1 5 . 1 1 2 2 ARG HA H 1 4.49 0.01 . 1 . . . . 389 ARG HA . 18527 1 6 . 1 1 2 2 ARG HB2 H 1 1.68 0.01 . 2 . . . . 389 ARG HB2 . 18527 1 7 . 1 1 2 2 ARG HB3 H 1 1.85 0.01 . 2 . . . . 389 ARG HB3 . 18527 1 8 . 1 1 2 2 ARG HG2 H 1 1.64 0.01 . 2 . . . . 389 ARG HG2 . 18527 1 9 . 1 1 2 2 ARG HG3 H 1 1.65 0.01 . 2 . . . . 389 ARG HG3 . 18527 1 10 . 1 1 2 2 ARG HD2 H 1 3.18 0.01 . 1 . . . . 389 ARG HD2 . 18527 1 11 . 1 1 2 2 ARG HD3 H 1 3.18 0.01 . 1 . . . . 389 ARG HD3 . 18527 1 12 . 1 1 2 2 ARG HE H 1 7.39 0.01 . 1 . . . . 389 ARG HE . 18527 1 13 . 1 1 3 3 ILE H H 1 8.14 0.01 . 1 . . . . 390 ILE H . 18527 1 14 . 1 1 3 3 ILE HA H 1 4.21 0.01 . 1 . . . . 390 ILE HA . 18527 1 15 . 1 1 3 3 ILE HB H 1 1.84 0.01 . 1 . . . . 390 ILE HB . 18527 1 16 . 1 1 3 3 ILE HG12 H 1 1.18 0.01 . 2 . . . . 390 ILE HG12 . 18527 1 17 . 1 1 3 3 ILE HG13 H 1 1.50 0.01 . 2 . . . . 390 ILE HG13 . 18527 1 18 . 1 1 3 3 ILE HG21 H 1 0.90 0.01 . 1 . . . . 390 ILE QG2 . 18527 1 19 . 1 1 3 3 ILE HG22 H 1 0.90 0.01 . 1 . . . . 390 ILE QG2 . 18527 1 20 . 1 1 3 3 ILE HG23 H 1 0.90 0.01 . 1 . . . . 390 ILE QG2 . 18527 1 21 . 1 1 3 3 ILE HD11 H 1 0.86 0.01 . 1 . . . . 390 ILE QD1 . 18527 1 22 . 1 1 3 3 ILE HD12 H 1 0.86 0.01 . 1 . . . . 390 ILE QD1 . 18527 1 23 . 1 1 3 3 ILE HD13 H 1 0.86 0.01 . 1 . . . . 390 ILE QD1 . 18527 1 24 . 1 1 4 4 ARG H H 1 8.19 0.01 . 1 . . . . 391 ARG H . 18527 1 25 . 1 1 4 4 ARG HA H 1 4.44 0.01 . 1 . . . . 391 ARG HA . 18527 1 26 . 1 1 4 4 ARG HB2 H 1 1.73 0.01 . 2 . . . . 391 ARG HB2 . 18527 1 27 . 1 1 4 4 ARG HB3 H 1 1.82 0.01 . 2 . . . . 391 ARG HB3 . 18527 1 28 . 1 1 4 4 ARG HG2 H 1 1.58 0.01 . 2 . . . . 391 ARG HG2 . 18527 1 29 . 1 1 4 4 ARG HG3 H 1 1.64 0.01 . 2 . . . . 391 ARG HG3 . 18527 1 30 . 1 1 4 4 ARG HD2 H 1 3.14 0.01 . 1 . . . . 391 ARG HD2 . 18527 1 31 . 1 1 4 4 ARG HD3 H 1 3.14 0.01 . 1 . . . . 391 ARG HD3 . 18527 1 32 . 1 1 4 4 ARG HE H 1 7.33 0.01 . 1 . . . . 391 ARG HE . 18527 1 33 . 1 1 5 5 ALA H H 1 8.02 0.01 . 1 . . . . 392 ALA H . 18527 1 34 . 1 1 5 5 ALA HA H 1 4.47 0.01 . 1 . . . . 392 ALA HA . 18527 1 35 . 1 1 5 5 ALA HB1 H 1 1.18 0.01 . 1 . . . . 392 ALA QB . 18527 1 36 . 1 1 5 5 ALA HB2 H 1 1.18 0.01 . 1 . . . . 392 ALA QB . 18527 1 37 . 1 1 5 5 ALA HB3 H 1 1.18 0.01 . 1 . . . . 392 ALA QB . 18527 1 38 . 1 1 6 6 PRO HA H 1 4.32 0.01 . 1 . . . . 393 PRO HA . 18527 1 39 . 1 1 6 6 PRO HB2 H 1 1.81 0.01 . 2 . . . . 393 PRO HB2 . 18527 1 40 . 1 1 6 6 PRO HB3 H 1 2.19 0.01 . 2 . . . . 393 PRO HB3 . 18527 1 41 . 1 1 6 6 PRO HG2 H 1 1.90 0.01 . 2 . . . . 393 PRO HG2 . 18527 1 42 . 1 1 6 6 PRO HG3 H 1 1.97 0.01 . 2 . . . . 393 PRO HG3 . 18527 1 43 . 1 1 6 6 PRO HD2 H 1 3.50 0.01 . 2 . . . . 393 PRO HD2 . 18527 1 44 . 1 1 6 6 PRO HD3 H 1 3.70 0.01 . 2 . . . . 393 PRO HD3 . 18527 1 45 . 1 1 7 7 PHE H H 1 7.17 0.01 . 1 . . . . 394 PHE H . 18527 1 46 . 1 1 7 7 PHE HA H 1 4.48 0.01 . 1 . . . . 394 PHE HA . 18527 1 47 . 1 1 7 7 PHE HB2 H 1 3.07 0.01 . 2 . . . . 394 PHE HB2 . 18527 1 48 . 1 1 7 7 PHE HB3 H 1 3.14 0.01 . 2 . . . . 394 PHE HB3 . 18527 1 49 . 1 1 7 7 PHE HD1 H 1 7.13 0.01 . 3 . . . . 394 PHE HD1 . 18527 1 50 . 1 1 7 7 PHE HD2 H 1 7.13 0.01 . 3 . . . . 394 PHE HD2 . 18527 1 51 . 1 1 7 7 PHE HE1 H 1 7.30 0.01 . 3 . . . . 394 PHE HE1 . 18527 1 52 . 1 1 7 7 PHE HE2 H 1 7.30 0.01 . 3 . . . . 394 PHE HE2 . 18527 1 53 . 1 1 7 7 PHE HZ H 1 7.26 0.01 . 1 . . . . 394 PHE HZ . 18527 1 54 . 1 1 8 8 LEU H H 1 7.54 0.01 . 1 . . . . 395 LEU H . 18527 1 55 . 1 1 8 8 LEU HA H 1 4.27 0.01 . 1 . . . . 395 LEU HA . 18527 1 56 . 1 1 8 8 LEU HB2 H 1 1.45 0.01 . 2 . . . . 395 LEU HB2 . 18527 1 57 . 1 1 8 8 LEU HB3 H 1 1.57 0.01 . 2 . . . . 395 LEU HB3 . 18527 1 58 . 1 1 8 8 LEU HG H 1 1.57 0.01 . 1 . . . . 395 LEU HG . 18527 1 59 . 1 1 8 8 LEU HD11 H 1 0.86 0.01 . 2 . . . . 395 LEU QD1 . 18527 1 60 . 1 1 8 8 LEU HD12 H 1 0.86 0.01 . 2 . . . . 395 LEU QD1 . 18527 1 61 . 1 1 8 8 LEU HD13 H 1 0.86 0.01 . 2 . . . . 395 LEU QD1 . 18527 1 62 . 1 1 8 8 LEU HD21 H 1 0.90 0.01 . 2 . . . . 395 LEU QD2 . 18527 1 63 . 1 1 8 8 LEU HD22 H 1 0.90 0.01 . 2 . . . . 395 LEU QD2 . 18527 1 64 . 1 1 8 8 LEU HD23 H 1 0.90 0.01 . 2 . . . . 395 LEU QD2 . 18527 1 65 . 1 1 9 9 HIS H H 1 8.04 0.01 . 1 . . . . 396 HIS H . 18527 1 66 . 1 1 9 9 HIS HA H 1 4.54 0.01 . 1 . . . . 396 HIS HA . 18527 1 67 . 1 1 9 9 HIS HB2 H 1 3.10 0.01 . 1 . . . . 396 HIS HB2 . 18527 1 68 . 1 1 9 9 HIS HB3 H 1 3.10 0.01 . 1 . . . . 396 HIS HB3 . 18527 1 69 . 1 1 9 9 HIS HD2 H 1 7.00 0.01 . 1 . . . . 396 HIS HD2 . 18527 1 70 . 1 1 9 9 HIS HE1 H 1 8.23 0.01 . 1 . . . . 396 HIS HE1 . 18527 1 71 . 1 1 10 10 TRP H H 1 7.81 0.01 . 1 . . . . 397 TRP H . 18527 1 72 . 1 1 10 10 TRP HA H 1 4.61 0.01 . 1 . . . . 397 TRP HA . 18527 1 73 . 1 1 10 10 TRP HB2 H 1 3.23 0.01 . 1 . . . . 397 TRP HB2 . 18527 1 74 . 1 1 10 10 TRP HB3 H 1 3.23 0.01 . 1 . . . . 397 TRP HB3 . 18527 1 75 . 1 1 10 10 TRP HD1 H 1 7.12 0.01 . 1 . . . . 397 TRP HD1 . 18527 1 76 . 1 1 10 10 TRP HE1 H 1 9.90 0.01 . 1 . . . . 397 TRP HE1 . 18527 1 77 . 1 1 10 10 TRP HE3 H 1 7.54 0.01 . 1 . . . . 397 TRP HE3 . 18527 1 78 . 1 1 10 10 TRP HZ2 H 1 7.46 0.01 . 1 . . . . 397 TRP HZ2 . 18527 1 79 . 1 1 10 10 TRP HZ3 H 1 7.14 0.01 . 1 . . . . 397 TRP HZ3 . 18527 1 80 . 1 1 10 10 TRP HH2 H 1 7.22 0.01 . 1 . . . . 397 TRP HH2 . 18527 1 81 . 1 1 11 11 TYR H H 1 7.82 0.01 . 1 . . . . 398 TYR H . 18527 1 82 . 1 1 11 11 TYR HA H 1 4.48 0.01 . 1 . . . . 398 TYR HA . 18527 1 83 . 1 1 11 11 TYR HB2 H 1 2.80 0.01 . 2 . . . . 398 TYR HB2 . 18527 1 84 . 1 1 11 11 TYR HB3 H 1 2.88 0.01 . 2 . . . . 398 TYR HB3 . 18527 1 85 . 1 1 11 11 TYR HD1 H 1 7.03 0.01 . 3 . . . . 398 TYR HD1 . 18527 1 86 . 1 1 11 11 TYR HD2 H 1 7.03 0.01 . 3 . . . . 398 TYR HD2 . 18527 1 87 . 1 1 11 11 TYR HE1 H 1 6.82 0.01 . 3 . . . . 398 TYR HE1 . 18527 1 88 . 1 1 11 11 TYR HE2 H 1 6.82 0.01 . 3 . . . . 398 TYR HE2 . 18527 1 89 . 1 1 12 12 THR H H 1 7.93 0.01 . 1 . . . . 399 THR H . 18527 1 90 . 1 1 12 12 THR HA H 1 4.34 0.01 . 1 . . . . 399 THR HA . 18527 1 91 . 1 1 12 12 THR HB H 1 4.34 0.01 . 1 . . . . 399 THR HB . 18527 1 92 . 1 1 12 12 THR HG21 H 1 1.23 0.01 . 1 . . . . 399 THR QG2 . 18527 1 93 . 1 1 12 12 THR HG22 H 1 1.23 0.01 . 1 . . . . 399 THR QG2 . 18527 1 94 . 1 1 12 12 THR HG23 H 1 1.23 0.01 . 1 . . . . 399 THR QG2 . 18527 1 95 . 1 1 13 13 GLY H H 1 7.53 0.01 . 1 . . . . 400 GLY H . 18527 1 96 . 1 1 13 13 GLY HA2 H 1 3.86 0.01 . 2 . . . . 400 GLY HA2 . 18527 1 97 . 1 1 13 13 GLY HA3 H 1 4.04 0.01 . 2 . . . . 400 GLY HA3 . 18527 1 98 . 1 1 14 14 GLU H H 1 8.20 0.01 . 1 . . . . 401 GLU H . 18527 1 99 . 1 1 14 14 GLU HA H 1 4.36 0.01 . 1 . . . . 401 GLU HA . 18527 1 100 . 1 1 14 14 GLU HB2 H 1 1.98 0.01 . 2 . . . . 401 GLU HB2 . 18527 1 101 . 1 1 14 14 GLU HB3 H 1 2.09 0.01 . 2 . . . . 401 GLU HB3 . 18527 1 102 . 1 1 14 14 GLU HG2 H 1 2.32 0.01 . 1 . . . . 401 GLU HG2 . 18527 1 103 . 1 1 14 14 GLU HG3 H 1 2.32 0.01 . 1 . . . . 401 GLU HG3 . 18527 1 104 . 1 1 15 15 GLY H H 1 8.51 0.01 . 1 . . . . 402 GLY H . 18527 1 105 . 1 1 15 15 GLY HA2 H 1 3.94 0.01 . 2 . . . . 402 GLY HA2 . 18527 1 106 . 1 1 15 15 GLY HA3 H 1 4.02 0.01 . 2 . . . . 402 GLY HA3 . 18527 1 107 . 1 1 16 16 MET H H 1 8.10 0.01 . 1 . . . . 403 MET H . 18527 1 108 . 1 1 16 16 MET HA H 1 4.52 0.01 . 1 . . . . 403 MET HA . 18527 1 109 . 1 1 16 16 MET HB2 H 1 2.02 0.01 . 2 . . . . 403 MET HB2 . 18527 1 110 . 1 1 16 16 MET HB3 H 1 2.12 0.01 . 2 . . . . 403 MET HB3 . 18527 1 111 . 1 1 16 16 MET HG2 H 1 2.49 0.01 . 2 . . . . 403 MET HG2 . 18527 1 112 . 1 1 16 16 MET HG3 H 1 2.56 0.01 . 2 . . . . 403 MET HG3 . 18527 1 113 . 1 1 17 17 ASP H H 1 8.44 0.01 . 1 . . . . 404 ASP H . 18527 1 114 . 1 1 17 17 ASP HA H 1 4.63 0.01 . 1 . . . . 404 ASP HA . 18527 1 115 . 1 1 17 17 ASP HB2 H 1 2.77 0.01 . 1 . . . . 404 ASP HB2 . 18527 1 116 . 1 1 17 17 ASP HB3 H 1 2.77 0.01 . 1 . . . . 404 ASP HB3 . 18527 1 117 . 1 1 18 18 GLU H H 1 8.53 0.01 . 1 . . . . 405 GLU H . 18527 1 118 . 1 1 18 18 GLU HA H 1 4.24 0.01 . 1 . . . . 405 GLU HA . 18527 1 119 . 1 1 18 18 GLU HB2 H 1 2.06 0.01 . 1 . . . . 405 GLU HB2 . 18527 1 120 . 1 1 18 18 GLU HB3 H 1 2.14 0.01 . 1 . . . . 405 GLU HB3 . 18527 1 121 . 1 1 18 18 GLU HG2 H 1 2.36 0.01 . 1 . . . . 405 GLU HG2 . 18527 1 122 . 1 1 18 18 GLU HG3 H 1 2.36 0.01 . 1 . . . . 405 GLU HG3 . 18527 1 123 . 1 1 19 19 MET H H 1 8.25 0.01 . 1 . . . . 406 MET H . 18527 1 124 . 1 1 19 19 MET HA H 1 4.52 0.01 . 1 . . . . 406 MET HA . 18527 1 125 . 1 1 19 19 MET HB2 H 1 2.06 0.01 . 1 . . . . 406 MET HB2 . 18527 1 126 . 1 1 19 19 MET HB3 H 1 2.06 0.01 . 1 . . . . 406 MET HB3 . 18527 1 127 . 1 1 19 19 MET HG2 H 1 2.54 0.01 . 2 . . . . 406 MET HG2 . 18527 1 128 . 1 1 19 19 MET HG3 H 1 2.60 0.01 . 2 . . . . 406 MET HG3 . 18527 1 129 . 1 1 20 20 GLU HA H 1 4.24 0.01 . 1 . . . . 407 GLU HA . 18527 1 130 . 1 1 20 20 GLU HB2 H 1 2.04 0.01 . 1 . . . . 407 GLU HB2 . 18527 1 131 . 1 1 20 20 GLU HB3 H 1 2.10 0.01 . 1 . . . . 407 GLU HB3 . 18527 1 132 . 1 1 20 20 GLU HG2 H 1 2.30 0.01 . 1 . . . . 407 GLU HG2 . 18527 1 133 . 1 1 20 20 GLU HG3 H 1 2.35 0.01 . 1 . . . . 407 GLU HG3 . 18527 1 134 . 1 1 21 21 PHE H H 1 8.25 0.01 . 1 . . . . 408 PHE H . 18527 1 135 . 1 1 21 21 PHE HA H 1 4.58 0.01 . 1 . . . . 408 PHE HA . 18527 1 136 . 1 1 21 21 PHE HB2 H 1 3.12 0.01 . 2 . . . . 408 PHE HB2 . 18527 1 137 . 1 1 21 21 PHE HB3 H 1 3.22 0.01 . 2 . . . . 408 PHE HB3 . 18527 1 138 . 1 1 21 21 PHE HD1 H 1 7.26 0.01 . 3 . . . . 408 PHE HD1 . 18527 1 139 . 1 1 21 21 PHE HD2 H 1 7.26 0.01 . 3 . . . . 408 PHE HD2 . 18527 1 140 . 1 1 21 21 PHE HE1 H 1 7.32 0.01 . 3 . . . . 408 PHE HE1 . 18527 1 141 . 1 1 21 21 PHE HE2 H 1 7.32 0.01 . 3 . . . . 408 PHE HE2 . 18527 1 142 . 1 1 22 22 THR H H 1 8.12 0.01 . 1 . . . . 409 THR H . 18527 1 143 . 1 1 22 22 THR HA H 1 4.36 0.01 . 1 . . . . 409 THR HA . 18527 1 144 . 1 1 22 22 THR HB H 1 4.21 0.01 . 1 . . . . 409 THR HB . 18527 1 145 . 1 1 22 22 THR HG21 H 1 1.31 0.01 . 1 . . . . 409 THR QG2 . 18527 1 146 . 1 1 22 22 THR HG22 H 1 1.31 0.01 . 1 . . . . 409 THR QG2 . 18527 1 147 . 1 1 22 22 THR HG23 H 1 1.31 0.01 . 1 . . . . 409 THR QG2 . 18527 1 148 . 1 1 23 23 GLU H H 1 8.32 0.01 . 1 . . . . 410 GLU H . 18527 1 149 . 1 1 24 24 ALA H H 1 8.12 0.01 . 1 . . . . 411 ALA H . 18527 1 150 . 1 1 24 24 ALA HA H 1 4.22 0.01 . 1 . . . . 411 ALA HA . 18527 1 151 . 1 1 24 24 ALA HB1 H 1 1.47 0.01 . 1 . . . . 411 ALA QB . 18527 1 152 . 1 1 24 24 ALA HB2 H 1 1.47 0.01 . 1 . . . . 411 ALA QB . 18527 1 153 . 1 1 24 24 ALA HB3 H 1 1.47 0.01 . 1 . . . . 411 ALA QB . 18527 1 154 . 1 1 25 25 GLU H H 1 8.27 0.01 . 1 . . . . 412 GLU H . 18527 1 155 . 1 1 25 25 GLU HA H 1 4.11 0.01 . 1 . . . . 412 GLU HA . 18527 1 156 . 1 1 25 25 GLU HB2 H 1 2.04 0.01 . 1 . . . . 412 GLU HB2 . 18527 1 157 . 1 1 25 25 GLU HB3 H 1 2.04 0.01 . 1 . . . . 412 GLU HB3 . 18527 1 158 . 1 1 25 25 GLU HG2 H 1 2.28 0.01 . 1 . . . . 412 GLU HG2 . 18527 1 159 . 1 1 25 25 GLU HG3 H 1 2.28 0.01 . 1 . . . . 412 GLU HG3 . 18527 1 160 . 1 1 26 26 SER H H 1 8.12 0.01 . 1 . . . . 413 SER H . 18527 1 161 . 1 1 26 26 SER HA H 1 4.35 0.01 . 1 . . . . 413 SER HA . 18527 1 162 . 1 1 26 26 SER HB2 H 1 4.00 0.01 . 1 . . . . 413 SER HB2 . 18527 1 163 . 1 1 26 26 SER HB3 H 1 4.00 0.01 . 1 . . . . 413 SER HB3 . 18527 1 164 . 1 1 27 27 ASN H H 1 8.32 0.01 . 1 . . . . 414 ASN H . 18527 1 165 . 1 1 27 27 ASN HA H 1 4.56 0.01 . 1 . . . . 414 ASN HA . 18527 1 166 . 1 1 27 27 ASN HB2 H 1 2.90 0.01 . 1 . . . . 414 ASN HB2 . 18527 1 167 . 1 1 27 27 ASN HB3 H 1 2.90 0.01 . 1 . . . . 414 ASN HB3 . 18527 1 168 . 1 1 27 27 ASN HD21 H 1 6.93 0.01 . 2 . . . . 414 ASN HD21 . 18527 1 169 . 1 1 27 27 ASN HD22 H 1 7.52 0.01 . 2 . . . . 414 ASN HD22 . 18527 1 170 . 1 1 28 28 MET H H 1 8.30 0.01 . 1 . . . . 415 MET H . 18527 1 171 . 1 1 28 28 MET HA H 1 4.41 0.01 . 1 . . . . 415 MET HA . 18527 1 172 . 1 1 28 28 MET HB2 H 1 2.11 0.01 . 2 . . . . 415 MET HB2 . 18527 1 173 . 1 1 28 28 MET HB3 H 1 2.16 0.01 . 2 . . . . 415 MET HB3 . 18527 1 174 . 1 1 28 28 MET HG2 H 1 2.54 0.01 . 2 . . . . 415 MET HG2 . 18527 1 175 . 1 1 28 28 MET HG3 H 1 2.62 0.01 . 2 . . . . 415 MET HG3 . 18527 1 176 . 1 1 29 29 ASN H H 1 8.30 0.01 . 1 . . . . 416 ASN H . 18527 1 177 . 1 1 29 29 ASN HA H 1 4.52 0.01 . 1 . . . . 416 ASN HA . 18527 1 178 . 1 1 29 29 ASN HB2 H 1 2.89 0.01 . 1 . . . . 416 ASN HB2 . 18527 1 179 . 1 1 29 29 ASN HB3 H 1 2.89 0.01 . 1 . . . . 416 ASN HB3 . 18527 1 180 . 1 1 29 29 ASN HD21 H 1 6.79 0.01 . 2 . . . . 416 ASN HD21 . 18527 1 181 . 1 1 29 29 ASN HD22 H 1 7.64 0.01 . 2 . . . . 416 ASN HD22 . 18527 1 182 . 1 1 30 30 ASP H H 1 8.18 0.01 . 1 . . . . 417 ASP H . 18527 1 183 . 1 1 30 30 ASP HA H 1 4.56 0.01 . 1 . . . . 417 ASP HA . 18527 1 184 . 1 1 30 30 ASP HB2 H 1 2.82 0.01 . 1 . . . . 417 ASP HB2 . 18527 1 185 . 1 1 30 30 ASP HB3 H 1 2.82 0.01 . 1 . . . . 417 ASP HB3 . 18527 1 186 . 1 1 31 31 LEU H H 1 7.94 0.01 . 1 . . . . 418 LEU H . 18527 1 187 . 1 1 31 31 LEU HA H 1 4.23 0.01 . 1 . . . . 418 LEU HA . 18527 1 188 . 1 1 31 31 LEU HB2 H 1 1.75 0.01 . 2 . . . . 418 LEU HB2 . 18527 1 189 . 1 1 31 31 LEU HB3 H 1 1.86 0.01 . 2 . . . . 418 LEU HB3 . 18527 1 190 . 1 1 31 31 LEU HG H 1 1.75 0.01 . 1 . . . . 418 LEU HG . 18527 1 191 . 1 1 31 31 LEU HD11 H 1 0.91 0.01 . 2 . . . . 418 LEU QD1 . 18527 1 192 . 1 1 31 31 LEU HD12 H 1 0.91 0.01 . 2 . . . . 418 LEU QD1 . 18527 1 193 . 1 1 31 31 LEU HD13 H 1 0.91 0.01 . 2 . . . . 418 LEU QD1 . 18527 1 194 . 1 1 31 31 LEU HD21 H 1 0.96 0.01 . 2 . . . . 418 LEU QD2 . 18527 1 195 . 1 1 31 31 LEU HD22 H 1 0.96 0.01 . 2 . . . . 418 LEU QD2 . 18527 1 196 . 1 1 31 31 LEU HD23 H 1 0.96 0.01 . 2 . . . . 418 LEU QD2 . 18527 1 197 . 1 1 32 32 VAL H H 1 7.95 0.01 . 1 . . . . 419 VAL H . 18527 1 198 . 1 1 32 32 VAL HA H 1 3.86 0.01 . 1 . . . . 419 VAL HA . 18527 1 199 . 1 1 32 32 VAL HB H 1 2.22 0.01 . 1 . . . . 419 VAL HB . 18527 1 200 . 1 1 32 32 VAL HG11 H 1 1.03 0.01 . 2 . . . . 419 VAL QG1 . 18527 1 201 . 1 1 32 32 VAL HG12 H 1 1.03 0.01 . 2 . . . . 419 VAL QG1 . 18527 1 202 . 1 1 32 32 VAL HG13 H 1 1.03 0.01 . 2 . . . . 419 VAL QG1 . 18527 1 203 . 1 1 32 32 VAL HG21 H 1 1.10 0.01 . 2 . . . . 419 VAL QG2 . 18527 1 204 . 1 1 32 32 VAL HG22 H 1 1.10 0.01 . 2 . . . . 419 VAL QG2 . 18527 1 205 . 1 1 32 32 VAL HG23 H 1 1.10 0.01 . 2 . . . . 419 VAL QG2 . 18527 1 206 . 1 1 33 33 SER H H 1 8.10 0.01 . 1 . . . . 420 SER H . 18527 1 207 . 1 1 33 33 SER HA H 1 4.37 0.01 . 1 . . . . 420 SER HA . 18527 1 208 . 1 1 33 33 SER HB2 H 1 4.02 0.01 . 2 . . . . 420 SER HB2 . 18527 1 209 . 1 1 33 33 SER HB3 H 1 4.11 0.01 . 2 . . . . 420 SER HB3 . 18527 1 210 . 1 1 34 34 GLU H H 1 8.22 0.01 . 1 . . . . 421 GLU H . 18527 1 211 . 1 1 34 34 GLU HA H 1 4.19 0.01 . 1 . . . . 421 GLU HA . 18527 1 212 . 1 1 34 34 GLU HG2 H 1 2.35 0.01 . 2 . . . . 421 GLU HG2 . 18527 1 213 . 1 1 34 34 GLU HG3 H 1 2.45 0.01 . 2 . . . . 421 GLU HG3 . 18527 1 214 . 1 1 35 35 TYR H H 1 8.38 0.01 . 1 . . . . 422 TYR H . 18527 1 215 . 1 1 35 35 TYR HA H 1 4.38 0.01 . 1 . . . . 422 TYR HA . 18527 1 216 . 1 1 35 35 TYR HB2 H 1 3.20 0.01 . 1 . . . . 422 TYR HB2 . 18527 1 217 . 1 1 35 35 TYR HB3 H 1 3.20 0.01 . 1 . . . . 422 TYR HB3 . 18527 1 218 . 1 1 35 35 TYR HD1 H 1 7.13 0.01 . 3 . . . . 422 TYR HD1 . 18527 1 219 . 1 1 35 35 TYR HD2 H 1 7.13 0.01 . 3 . . . . 422 TYR HD2 . 18527 1 220 . 1 1 35 35 TYR HE1 H 1 6.83 0.01 . 3 . . . . 422 TYR HE1 . 18527 1 221 . 1 1 35 35 TYR HE2 H 1 6.83 0.01 . 3 . . . . 422 TYR HE2 . 18527 1 222 . 1 1 36 36 GLN H H 1 8.45 0.01 . 1 . . . . 423 GLN H . 18527 1 223 . 1 1 36 36 GLN HA H 1 4.04 0.01 . 1 . . . . 423 GLN HA . 18527 1 224 . 1 1 36 36 GLN HB2 H 1 2.21 0.01 . 2 . . . . 423 GLN HB2 . 18527 1 225 . 1 1 36 36 GLN HB3 H 1 2.27 0.01 . 2 . . . . 423 GLN HB3 . 18527 1 226 . 1 1 36 36 GLN HG2 H 1 2.46 0.01 . 2 . . . . 423 GLN HG2 . 18527 1 227 . 1 1 36 36 GLN HG3 H 1 2.58 0.01 . 2 . . . . 423 GLN HG3 . 18527 1 228 . 1 1 36 36 GLN HE21 H 1 7.38 0.01 . 1 . . . . 423 GLN HE21 . 18527 1 229 . 1 1 36 36 GLN HE22 H 1 6.70 0.01 . 1 . . . . 423 GLN HE22 . 18527 1 230 . 1 1 37 37 GLN H H 1 8.05 0.01 . 1 . . . . 424 GLN H . 18527 1 231 . 1 1 37 37 GLN HA H 1 4.19 0.01 . 1 . . . . 424 GLN HA . 18527 1 232 . 1 1 37 37 GLN HB2 H 1 2.16 0.01 . 1 . . . . 424 GLN HB2 . 18527 1 233 . 1 1 37 37 GLN HB3 H 1 2.16 0.01 . 1 . . . . 424 GLN HB3 . 18527 1 234 . 1 1 37 37 GLN HG2 H 1 2.35 0.01 . 2 . . . . 424 GLN HG2 . 18527 1 235 . 1 1 37 37 GLN HG3 H 1 2.43 0.01 . 2 . . . . 424 GLN HG3 . 18527 1 236 . 1 1 37 37 GLN HE21 H 1 6.73 0.01 . 2 . . . . 424 GLN HE21 . 18527 1 237 . 1 1 37 37 GLN HE22 H 1 7.30 0.01 . 2 . . . . 424 GLN HE22 . 18527 1 238 . 1 1 38 38 TYR H H 1 8.04 0.01 . 1 . . . . 425 TYR H . 18527 1 239 . 1 1 38 38 TYR HA H 1 4.40 0.01 . 1 . . . . 425 TYR HA . 18527 1 240 . 1 1 38 38 TYR HB2 H 1 2.04 0.01 . 2 . . . . 425 TYR HB2 . 18527 1 241 . 1 1 38 38 TYR HB3 H 1 2.08 0.01 . 2 . . . . 425 TYR HB3 . 18527 1 242 . 1 1 38 38 TYR HD1 H 1 7.09 0.01 . 3 . . . . 425 TYR HD1 . 18527 1 243 . 1 1 38 38 TYR HD2 H 1 7.09 0.01 . 3 . . . . 425 TYR HD2 . 18527 1 244 . 1 1 38 38 TYR HE1 H 1 6.82 0.01 . 3 . . . . 425 TYR HE1 . 18527 1 245 . 1 1 38 38 TYR HE2 H 1 6.82 0.01 . 3 . . . . 425 TYR HE2 . 18527 1 246 . 1 1 39 39 GLN H H 1 8.19 0.01 . 1 . . . . 426 GLN H . 18527 1 247 . 1 1 39 39 GLN HA H 1 4.03 0.01 . 1 . . . . 426 GLN HA . 18527 1 248 . 1 1 39 39 GLN HB2 H 1 2.04 0.01 . 2 . . . . 426 GLN HB2 . 18527 1 249 . 1 1 39 39 GLN HB3 H 1 2.08 0.01 . 2 . . . . 426 GLN HB3 . 18527 1 250 . 1 1 39 39 GLN HG2 H 1 2.26 0.01 . 1 . . . . 426 GLN HG2 . 18527 1 251 . 1 1 39 39 GLN HG3 H 1 2.26 0.01 . 1 . . . . 426 GLN HG3 . 18527 1 252 . 1 1 39 39 GLN HE21 H 1 6.69 0.01 . 2 . . . . 426 GLN HE21 . 18527 1 253 . 1 1 39 39 GLN HE22 H 1 7.02 0.01 . 2 . . . . 426 GLN HE22 . 18527 1 254 . 1 1 40 40 ASP H H 1 8.25 0.01 . 1 . . . . 427 ASP H . 18527 1 255 . 1 1 40 40 ASP HA H 1 4.56 0.01 . 1 . . . . 427 ASP HA . 18527 1 256 . 1 1 40 40 ASP HB2 H 1 2.77 0.01 . 1 . . . . 427 ASP HB2 . 18527 1 257 . 1 1 40 40 ASP HB3 H 1 2.77 0.01 . 1 . . . . 427 ASP HB3 . 18527 1 258 . 1 1 41 41 ALA H H 1 8.12 0.01 . 1 . . . . 428 ALA H . 18527 1 259 . 1 1 41 41 ALA HA H 1 4.34 0.01 . 1 . . . . 428 ALA HA . 18527 1 260 . 1 1 41 41 ALA HB1 H 1 1.51 0.01 . 1 . . . . 428 ALA QB . 18527 1 261 . 1 1 41 41 ALA HB2 H 1 1.51 0.01 . 1 . . . . 428 ALA QB . 18527 1 262 . 1 1 41 41 ALA HB3 H 1 1.51 0.01 . 1 . . . . 428 ALA QB . 18527 1 263 . 1 1 42 42 THR H H 1 7.90 0.01 . 1 . . . . 429 THR H . 18527 1 264 . 1 1 42 42 THR HA H 1 4.31 0.01 . 1 . . . . 429 THR HA . 18527 1 265 . 1 1 42 42 THR HB H 1 4.28 0.01 . 1 . . . . 429 THR HB . 18527 1 266 . 1 1 42 42 THR HG21 H 1 1.15 0.01 . 1 . . . . 429 THR QG2 . 18527 1 267 . 1 1 42 42 THR HG22 H 1 1.15 0.01 . 1 . . . . 429 THR QG2 . 18527 1 268 . 1 1 42 42 THR HG23 H 1 1.15 0.01 . 1 . . . . 429 THR QG2 . 18527 1 269 . 1 1 43 43 ALA H H 1 7.93 0.01 . 1 . . . . 430 ALA H . 18527 1 270 . 1 1 43 43 ALA HA H 1 4.31 0.01 . 1 . . . . 430 ALA HA . 18527 1 271 . 1 1 43 43 ALA HB1 H 1 1.50 0.01 . 1 . . . . 430 ALA QB . 18527 1 272 . 1 1 43 43 ALA HB2 H 1 1.50 0.01 . 1 . . . . 430 ALA QB . 18527 1 273 . 1 1 43 43 ALA HB3 H 1 1.50 0.01 . 1 . . . . 430 ALA QB . 18527 1 274 . 1 1 44 44 ASP H H 1 8.24 0.01 . 1 . . . . 431 ASP H . 18527 1 275 . 1 1 44 44 ASP HA H 1 4.65 0.01 . 1 . . . . 431 ASP HA . 18527 1 276 . 1 1 44 44 ASP HB2 H 1 2.72 0.01 . 2 . . . . 431 ASP HB2 . 18527 1 277 . 1 1 44 44 ASP HB3 H 1 2.79 0.01 . 2 . . . . 431 ASP HB3 . 18527 1 278 . 1 1 45 45 GLU H H 1 8.27 0.01 . 1 . . . . 432 GLU H . 18527 1 279 . 1 1 46 46 GLN H H 1 8.34 0.01 . 1 . . . . 433 GLN H . 18527 1 280 . 1 1 46 46 GLN HA H 1 4.38 0.01 . 1 . . . . 433 GLN HA . 18527 1 281 . 1 1 46 46 GLN HB2 H 1 2.10 0.01 . 2 . . . . 433 GLN HB2 . 18527 1 282 . 1 1 46 46 GLN HB3 H 1 2.23 0.01 . 2 . . . . 433 GLN HB3 . 18527 1 283 . 1 1 46 46 GLN HG2 H 1 2.44 0.01 . 1 . . . . 433 GLN HG2 . 18527 1 284 . 1 1 46 46 GLN HG3 H 1 2.44 0.01 . 1 . . . . 433 GLN HG3 . 18527 1 285 . 1 1 46 46 GLN HE21 H 1 6.74 0.01 . 2 . . . . 433 GLN HE21 . 18527 1 286 . 1 1 46 46 GLN HE22 H 1 7.58 0.01 . 2 . . . . 433 GLN HE22 . 18527 1 287 . 1 1 47 47 GLY H H 1 8.34 0.01 . 1 . . . . 434 GLY H . 18527 1 288 . 1 1 47 47 GLY HA2 H 1 3.94 0.01 . 2 . . . . 434 GLY HA2 . 18527 1 289 . 1 1 47 47 GLY HA3 H 1 4.01 0.01 . 2 . . . . 434 GLY HA3 . 18527 1 290 . 1 1 48 48 GLU H H 1 8.20 0.01 . 1 . . . . 435 GLU H . 18527 1 291 . 1 1 48 48 GLU HA H 1 4.32 0.01 . 1 . . . . 435 GLU HA . 18527 1 292 . 1 1 48 48 GLU HB2 H 1 1.91 0.01 . 2 . . . . 435 GLU HB2 . 18527 1 293 . 1 1 48 48 GLU HB3 H 1 1.97 0.01 . 2 . . . . 435 GLU HB3 . 18527 1 294 . 1 1 48 48 GLU HG2 H 1 2.19 0.01 . 2 . . . . 435 GLU HG2 . 18527 1 295 . 1 1 48 48 GLU HG3 H 1 2.25 0.01 . 2 . . . . 435 GLU HG3 . 18527 1 296 . 1 1 49 49 PHE H H 1 8.22 0.01 . 1 . . . . 436 PHE H . 18527 1 297 . 1 1 49 49 PHE HA H 1 4.69 0.01 . 1 . . . . 436 PHE HA . 18527 1 298 . 1 1 49 49 PHE HB2 H 1 3.07 0.01 . 2 . . . . 436 PHE HB2 . 18527 1 299 . 1 1 49 49 PHE HB3 H 1 3.23 0.01 . 2 . . . . 436 PHE HB3 . 18527 1 300 . 1 1 49 49 PHE HD1 H 1 7.30 0.01 . 3 . . . . 436 PHE HD1 . 18527 1 301 . 1 1 49 49 PHE HD2 H 1 7.30 0.01 . 3 . . . . 436 PHE HD2 . 18527 1 302 . 1 1 49 49 PHE HE1 H 1 7.38 0.01 . 3 . . . . 436 PHE HE1 . 18527 1 303 . 1 1 49 49 PHE HE2 H 1 7.38 0.01 . 3 . . . . 436 PHE HE2 . 18527 1 304 . 1 1 51 51 GLU HA H 1 4.35 0.01 . 9 . . . . 438 GLU HA . 18527 1 305 . 1 1 52 52 GLU H H 1 8.50 0.01 . 1 . . . . 439 GLU H . 18527 1 306 . 1 1 52 52 GLU HA H 1 4.37 0.01 . 1 . . . . 439 GLU HA . 18527 1 307 . 1 1 52 52 GLU HB2 H 1 2.04 0.01 . 2 . . . . 439 GLU HB2 . 18527 1 308 . 1 1 52 52 GLU HB3 H 1 2.15 0.01 . 2 . . . . 439 GLU HB3 . 18527 1 309 . 1 1 52 52 GLU HG2 H 1 2.38 0.01 . 1 . . . . 439 GLU HG2 . 18527 1 310 . 1 1 52 52 GLU HG3 H 1 2.38 0.01 . 1 . . . . 439 GLU HG3 . 18527 1 311 . 1 1 53 53 GLY H H 1 8.48 0.01 . 1 . . . . 440 GLY H . 18527 1 312 . 1 1 53 53 GLY HA2 H 1 4.03 0.01 . 2 . . . . 440 GLY HA2 . 18527 1 313 . 1 1 53 53 GLY HA3 H 1 4.05 0.01 . 2 . . . . 440 GLY HA3 . 18527 1 314 . 1 1 54 54 GLU H H 1 8.30 0.01 . 1 . . . . 441 GLU H . 18527 1 315 . 1 1 54 54 GLU HA H 1 4.41 0.01 . 1 . . . . 441 GLU HA . 18527 1 316 . 1 1 54 54 GLU HB2 H 1 2.01 0.01 . 2 . . . . 441 GLU HB2 . 18527 1 317 . 1 1 54 54 GLU HB3 H 1 2.16 0.01 . 2 . . . . 441 GLU HB3 . 18527 1 318 . 1 1 54 54 GLU HG2 H 1 2.36 0.01 . 1 . . . . 441 GLU HG2 . 18527 1 319 . 1 1 54 54 GLU HG3 H 1 2.36 0.01 . 1 . . . . 441 GLU HG3 . 18527 1 320 . 1 1 55 55 GLU H H 1 8.61 0.01 . 1 . . . . 442 GLU H . 18527 1 321 . 1 1 55 55 GLU HA H 1 4.36 0.01 . 1 . . . . 442 GLU HA . 18527 1 322 . 1 1 55 55 GLU HB2 H 1 2.02 0.01 . 2 . . . . 442 GLU HB2 . 18527 1 323 . 1 1 55 55 GLU HB3 H 1 2.15 0.01 . 2 . . . . 442 GLU HB3 . 18527 1 324 . 1 1 55 55 GLU HG2 H 1 2.37 0.01 . 1 . . . . 442 GLU HG2 . 18527 1 325 . 1 1 55 55 GLU HG3 H 1 2.37 0.01 . 1 . . . . 442 GLU HG3 . 18527 1 326 . 1 1 56 56 ASP H H 1 8.38 0.01 . 1 . . . . 443 ASP H . 18527 1 327 . 1 1 56 56 ASP HA H 1 4.69 0.01 . 1 . . . . 443 ASP HA . 18527 1 328 . 1 1 56 56 ASP HB2 H 1 2.71 0.01 . 2 . . . . 443 ASP HB2 . 18527 1 329 . 1 1 56 56 ASP HB3 H 1 2.78 0.01 . 2 . . . . 443 ASP HB3 . 18527 1 330 . 1 1 57 57 GLU H H 1 8.30 0.01 . 1 . . . . 444 GLU H . 18527 1 331 . 1 1 57 57 GLU HA H 1 4.44 0.01 . 1 . . . . 444 GLU HA . 18527 1 332 . 1 1 57 57 GLU HB2 H 1 2.01 0.01 . 2 . . . . 444 GLU HB2 . 18527 1 333 . 1 1 57 57 GLU HB3 H 1 2.16 0.01 . 2 . . . . 444 GLU HB3 . 18527 1 334 . 1 1 57 57 GLU HG2 H 1 2.36 0.01 . 1 . . . . 444 GLU HG2 . 18527 1 335 . 1 1 57 57 GLU HG3 H 1 2.36 0.01 . 1 . . . . 444 GLU HG3 . 18527 1 336 . 1 1 58 58 ALA H H 1 7.93 0.01 . 1 . . . . 445 ALA H . 18527 1 337 . 1 1 58 58 ALA HA H 1 4.19 0.01 . 1 . . . . 445 ALA HA . 18527 1 338 . 1 1 58 58 ALA HB1 H 1 1.40 0.01 . 1 . . . . 445 ALA QB . 18527 1 339 . 1 1 58 58 ALA HB2 H 1 1.40 0.01 . 1 . . . . 445 ALA QB . 18527 1 340 . 1 1 58 58 ALA HB3 H 1 1.40 0.01 . 1 . . . . 445 ALA QB . 18527 1 stop_ save_