data_17434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17434 _Entry.Title ; solution structure of the C-terminal domain of H-NS like protein Bv3F ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-29 _Entry.Accession_date 2011-01-29 _Entry.Last_release_date 2015-06-23 _Entry.Original_release_date 2015-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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.Entry_ID 1 Yifei Li . . . 17434 2 Bin Xia . . . 17434 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17434 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AT hook' . 17434 H-NS . 17434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 17434 '15N chemical shifts' 40 17434 '1H chemical shifts' 287 17434 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 . . 2015-06-23 . original BMRB . 17434 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17435 'C-terminal domain of Salmonella H-NS' 17434 PDB 2L92 'BMRB Entry Tracking System' 17434 PDB 2L93 'C-terminal domain of Salmonella H-NS' 17434 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 17434 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21673140 _Citation.Full_citation . _Citation.Title ; Structural basis for recognition of AT-rich DNA by unrelated xenogeneic silencing proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 108 _Citation.Journal_issue 26 _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 10690 _Citation.Page_last 10695 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Blair Gordon . R.G. . 17434 1 2 Yifei Li . . . 17434 1 3 Atina Cote . . . 17434 1 4 Matthew Weirauch . T. . 17434 1 5 Pengfei Ding . . . 17434 1 6 Timothy Hughes . R. . 17434 1 7 William Navarre . W. . 17434 1 8 Bin Xia . . . 17434 1 9 Jun Liu . . . 17434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17434 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of Bv3F' _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 Bv3F 1 $Bv3F A . yes native no no . . . 17434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bv3F _Entity.Sf_category entity _Entity.Sf_framecode Bv3F _Entity.Entry_ID 17434 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bv3F _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSTVPKYRDPATGKTWSGRG RQPAWLGNDPAAFLIQPDLP AILE ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4828.533 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L92 . "Solution Structure Of The C-Terminal Domain Of H-Ns Like Protein Bv3f" . . . . . 100.00 50 100.00 100.00 2.71e-23 . . . . 17434 1 2 no GB ABO59125 . "histone family protein nucleoid-structuring protein H-NS [Burkholderia vietnamiensis G4]" . . . . . 95.45 112 100.00 100.00 8.42e-22 . . . . 17434 1 3 no GB ABO60030 . "histone family protein nucleoid-structuring protein H-NS [Burkholderia vietnamiensis G4]" . . . . . 95.45 112 100.00 100.00 8.42e-22 . . . . 17434 1 4 no GB KIP17029 . "H-NS histone family protein [Burkholderia sp. MSHR3999]" . . . . . 95.45 104 97.62 100.00 6.62e-21 . . . . 17434 1 stop_ 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 71 MET . 17434 1 2 72 SER . 17434 1 3 73 THR . 17434 1 4 74 VAL . 17434 1 5 75 PRO . 17434 1 6 76 LYS . 17434 1 7 77 TYR . 17434 1 8 78 ARG . 17434 1 9 79 ASP . 17434 1 10 80 PRO . 17434 1 11 81 ALA . 17434 1 12 82 THR . 17434 1 13 83 GLY . 17434 1 14 84 LYS . 17434 1 15 85 THR . 17434 1 16 86 TRP . 17434 1 17 87 SER . 17434 1 18 88 GLY . 17434 1 19 89 ARG . 17434 1 20 90 GLY . 17434 1 21 91 ARG . 17434 1 22 92 GLN . 17434 1 23 93 PRO . 17434 1 24 94 ALA . 17434 1 25 95 TRP . 17434 1 26 96 LEU . 17434 1 27 97 GLY . 17434 1 28 98 ASN . 17434 1 29 99 ASP . 17434 1 30 100 PRO . 17434 1 31 101 ALA . 17434 1 32 102 ALA . 17434 1 33 103 PHE . 17434 1 34 104 LEU . 17434 1 35 105 ILE . 17434 1 36 106 GLN . 17434 1 37 107 PRO . 17434 1 38 108 ASP . 17434 1 39 109 LEU . 17434 1 40 110 PRO . 17434 1 41 111 ALA . 17434 1 42 112 ILE . 17434 1 43 113 LEU . 17434 1 44 114 GLU . 17434 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 . MET 1 1 17434 1 . SER 2 2 17434 1 . THR 3 3 17434 1 . VAL 4 4 17434 1 . PRO 5 5 17434 1 . LYS 6 6 17434 1 . TYR 7 7 17434 1 . ARG 8 8 17434 1 . ASP 9 9 17434 1 . PRO 10 10 17434 1 . ALA 11 11 17434 1 . THR 12 12 17434 1 . GLY 13 13 17434 1 . LYS 14 14 17434 1 . THR 15 15 17434 1 . TRP 16 16 17434 1 . SER 17 17 17434 1 . GLY 18 18 17434 1 . ARG 19 19 17434 1 . GLY 20 20 17434 1 . ARG 21 21 17434 1 . GLN 22 22 17434 1 . PRO 23 23 17434 1 . ALA 24 24 17434 1 . TRP 25 25 17434 1 . LEU 26 26 17434 1 . GLY 27 27 17434 1 . ASN 28 28 17434 1 . ASP 29 29 17434 1 . PRO 30 30 17434 1 . ALA 31 31 17434 1 . ALA 32 32 17434 1 . PHE 33 33 17434 1 . LEU 34 34 17434 1 . ILE 35 35 17434 1 . GLN 36 36 17434 1 . PRO 37 37 17434 1 . ASP 38 38 17434 1 . LEU 39 39 17434 1 . PRO 40 40 17434 1 . ALA 41 41 17434 1 . ILE 42 42 17434 1 . LEU 43 43 17434 1 . GLU 44 44 17434 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 17434 _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 $Bv3F . 60552 organism . 'Burkholderia vietnamiensis' 'Burkholderia vietnamiensis' . . Bacteria . Burkholderia vietnamiensis G4 . . . . . . . . . . . . 17434 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 17434 _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 $Bv3F . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli BL21 . . . . . pET21a . . . 17434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17434 _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 'C-terminal domain of H-NS like protein Bv3F' '[U-13C, >90%; U-15 N, >90%]' . . 1 $Bv3F . . 0.7 . . mM . . . . 17434 1 2 'sodium phosphate' '[U-100% 13C; U-100% 15N]' . . . . . . 50 . . mM . . . . 17434 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 17434 _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' 0.05 . M 17434 1 pH 7.0 . pH 17434 1 pressure 1 . atm 17434 1 temperature 298 . K 17434 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17434 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17434 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17434 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 17434 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17434 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17434 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 17434 _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 . . . . . . . . . . . . . . . . 17434 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 17434 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17434 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17434 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17434 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 17434 _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' . . . 17434 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 MET HA H 1 4.540 . . 1 . . . A 71 MET HA . 17434 1 2 . 1 1 1 1 MET HB2 H 1 2.052 . . 2 . . . A 71 MET HB2 . 17434 1 3 . 1 1 1 1 MET HG2 H 1 2.606 . . 2 . . . A 71 MET HG2 . 17434 1 4 . 1 1 1 1 MET C C 13 175.993 . . 1 . . . A 71 MET C . 17434 1 5 . 1 1 1 1 MET CA C 13 55.715 . . 1 . . . A 71 MET CA . 17434 1 6 . 1 1 1 1 MET CB C 13 33.150 . . 1 . . . A 71 MET CB . 17434 1 7 . 1 1 1 1 MET CG C 13 31.896 . . 1 . . . A 71 MET CG . 17434 1 8 . 1 1 2 2 SER H H 1 8.603 . . 1 . . . A 72 SER H . 17434 1 9 . 1 1 2 2 SER HA H 1 4.618 . . 1 . . . A 72 SER HA . 17434 1 10 . 1 1 2 2 SER HB2 H 1 3.883 . . 2 . . . A 72 SER HB2 . 17434 1 11 . 1 1 2 2 SER C C 13 174.326 . . 1 . . . A 72 SER C . 17434 1 12 . 1 1 2 2 SER CA C 13 58.281 . . 1 . . . A 72 SER CA . 17434 1 13 . 1 1 2 2 SER CB C 13 63.802 . . 1 . . . A 72 SER CB . 17434 1 14 . 1 1 2 2 SER N N 15 119.165 . . 1 . . . A 72 SER N . 17434 1 15 . 1 1 3 3 THR H H 1 8.387 . . 1 . . . A 73 THR H . 17434 1 16 . 1 1 3 3 THR HA H 1 4.385 . . 1 . . . A 73 THR HA . 17434 1 17 . 1 1 3 3 THR HB H 1 4.199 . . 1 . . . A 73 THR HB . 17434 1 18 . 1 1 3 3 THR HG21 H 1 1.180 . . 1 . . . A 73 THR HG21 . 17434 1 19 . 1 1 3 3 THR HG22 H 1 1.180 . . 1 . . . A 73 THR HG21 . 17434 1 20 . 1 1 3 3 THR HG23 H 1 1.180 . . 1 . . . A 73 THR HG21 . 17434 1 21 . 1 1 3 3 THR C C 13 174.246 . . 1 . . . A 73 THR C . 17434 1 22 . 1 1 3 3 THR CA C 13 61.609 . . 1 . . . A 73 THR CA . 17434 1 23 . 1 1 3 3 THR CB C 13 69.854 . . 1 . . . A 73 THR CB . 17434 1 24 . 1 1 3 3 THR CG2 C 13 21.735 . . 1 . . . A 73 THR CG2 . 17434 1 25 . 1 1 3 3 THR N N 15 117.474 . . 1 . . . A 73 THR N . 17434 1 26 . 1 1 4 4 VAL H H 1 8.155 . . 1 . . . A 74 VAL H . 17434 1 27 . 1 1 4 4 VAL HA H 1 4.389 . . 1 . . . A 74 VAL HA . 17434 1 28 . 1 1 4 4 VAL HB H 1 2.036 . . 1 . . . A 74 VAL HB . 17434 1 29 . 1 1 4 4 VAL HG11 H 1 0.954 . . 2 . . . A 74 VAL HG11 . 17434 1 30 . 1 1 4 4 VAL HG12 H 1 0.954 . . 2 . . . A 74 VAL HG11 . 17434 1 31 . 1 1 4 4 VAL HG13 H 1 0.954 . . 2 . . . A 74 VAL HG11 . 17434 1 32 . 1 1 4 4 VAL HG21 H 1 0.920 . . 2 . . . A 74 VAL HG21 . 17434 1 33 . 1 1 4 4 VAL HG22 H 1 0.920 . . 2 . . . A 74 VAL HG21 . 17434 1 34 . 1 1 4 4 VAL HG23 H 1 0.920 . . 2 . . . A 74 VAL HG21 . 17434 1 35 . 1 1 4 4 VAL CA C 13 59.926 . . 1 . . . A 74 VAL CA . 17434 1 36 . 1 1 4 4 VAL CB C 13 32.633 . . 1 . . . A 74 VAL CB . 17434 1 37 . 1 1 4 4 VAL CG1 C 13 20.946 . . 1 . . . A 74 VAL CG1 . 17434 1 38 . 1 1 4 4 VAL CG2 C 13 20.450 . . 1 . . . A 74 VAL CG2 . 17434 1 39 . 1 1 4 4 VAL N N 15 124.787 . . 1 . . . A 74 VAL N . 17434 1 40 . 1 1 5 5 PRO HA H 1 4.250 . . 1 . . . A 75 PRO HA . 17434 1 41 . 1 1 5 5 PRO HB2 H 1 2.184 . . 2 . . . A 75 PRO HB2 . 17434 1 42 . 1 1 5 5 PRO HB3 H 1 1.826 . . 2 . . . A 75 PRO HB3 . 17434 1 43 . 1 1 5 5 PRO HG2 H 1 2.031 . . 2 . . . A 75 PRO HG2 . 17434 1 44 . 1 1 5 5 PRO HD2 H 1 3.861 . . 2 . . . A 75 PRO HD2 . 17434 1 45 . 1 1 5 5 PRO HD3 H 1 3.714 . . 2 . . . A 75 PRO HD3 . 17434 1 46 . 1 1 5 5 PRO C C 13 175.163 . . 1 . . . A 75 PRO C . 17434 1 47 . 1 1 5 5 PRO CA C 13 63.326 . . 1 . . . A 75 PRO CA . 17434 1 48 . 1 1 5 5 PRO CB C 13 32.372 . . 1 . . . A 75 PRO CB . 17434 1 49 . 1 1 5 5 PRO CG C 13 27.297 . . 1 . . . A 75 PRO CG . 17434 1 50 . 1 1 5 5 PRO CD C 13 50.832 . . 1 . . . A 75 PRO CD . 17434 1 51 . 1 1 6 6 LYS H H 1 7.907 . . 1 . . . A 76 LYS H . 17434 1 52 . 1 1 6 6 LYS HA H 1 4.354 . . 1 . . . A 76 LYS HA . 17434 1 53 . 1 1 6 6 LYS HB2 H 1 1.497 . . 2 . . . A 76 LYS HB2 . 17434 1 54 . 1 1 6 6 LYS HG2 H 1 1.279 . . 2 . . . A 76 LYS HG2 . 17434 1 55 . 1 1 6 6 LYS HG3 H 1 0.949 . . 2 . . . A 76 LYS HG3 . 17434 1 56 . 1 1 6 6 LYS HD2 H 1 1.516 . . 2 . . . A 76 LYS HD2 . 17434 1 57 . 1 1 6 6 LYS HE2 H 1 2.855 . . 2 . . . A 76 LYS HE2 . 17434 1 58 . 1 1 6 6 LYS C C 13 175.038 . . 1 . . . A 76 LYS C . 17434 1 59 . 1 1 6 6 LYS CA C 13 56.526 . . 1 . . . A 76 LYS CA . 17434 1 60 . 1 1 6 6 LYS CB C 13 35.550 . . 1 . . . A 76 LYS CB . 17434 1 61 . 1 1 6 6 LYS CG C 13 25.278 . . 1 . . . A 76 LYS CG . 17434 1 62 . 1 1 6 6 LYS CD C 13 29.333 . . 1 . . . A 76 LYS CD . 17434 1 63 . 1 1 6 6 LYS CE C 13 42.282 . . 1 . . . A 76 LYS CE . 17434 1 64 . 1 1 6 6 LYS N N 15 120.656 . . 1 . . . A 76 LYS N . 17434 1 65 . 1 1 7 7 TYR H H 1 8.258 . . 1 . . . A 77 TYR H . 17434 1 66 . 1 1 7 7 TYR HA H 1 5.418 . . 1 . . . A 77 TYR HA . 17434 1 67 . 1 1 7 7 TYR HB2 H 1 3.146 . . 2 . . . A 77 TYR HB2 . 17434 1 68 . 1 1 7 7 TYR HB3 H 1 3.076 . . 2 . . . A 77 TYR HB3 . 17434 1 69 . 1 1 7 7 TYR HD1 H 1 7.001 . . 3 . . . A 77 TYR HD1 . 17434 1 70 . 1 1 7 7 TYR HD2 H 1 7.001 . . 3 . . . A 77 TYR HD2 . 17434 1 71 . 1 1 7 7 TYR HE1 H 1 6.826 . . 3 . . . A 77 TYR HE1 . 17434 1 72 . 1 1 7 7 TYR HE2 H 1 6.826 . . 3 . . . A 77 TYR HE2 . 17434 1 73 . 1 1 7 7 TYR C C 13 175.638 . . 1 . . . A 77 TYR C . 17434 1 74 . 1 1 7 7 TYR CA C 13 56.522 . . 1 . . . A 77 TYR CA . 17434 1 75 . 1 1 7 7 TYR CB C 13 42.720 . . 1 . . . A 77 TYR CB . 17434 1 76 . 1 1 7 7 TYR CD1 C 13 133.994 . . 3 . . . A 77 TYR CD1 . 17434 1 77 . 1 1 7 7 TYR CD2 C 13 133.994 . . 3 . . . A 77 TYR CD2 . 17434 1 78 . 1 1 7 7 TYR CE1 C 13 121.335 . . 3 . . . A 77 TYR CE1 . 17434 1 79 . 1 1 7 7 TYR CE2 C 13 121.335 . . 3 . . . A 77 TYR CE2 . 17434 1 80 . 1 1 7 7 TYR N N 15 117.870 . . 1 . . . A 77 TYR N . 17434 1 81 . 1 1 8 8 ARG H H 1 9.284 . . 1 . . . A 78 ARG H . 17434 1 82 . 1 1 8 8 ARG HA H 1 5.266 . . 1 . . . A 78 ARG HA . 17434 1 83 . 1 1 8 8 ARG HB2 H 1 1.704 . . 2 . . . A 78 ARG HB2 . 17434 1 84 . 1 1 8 8 ARG HB3 H 1 1.648 . . 2 . . . A 78 ARG HB3 . 17434 1 85 . 1 1 8 8 ARG HG2 H 1 1.300 . . 2 . . . A 78 ARG HG2 . 17434 1 86 . 1 1 8 8 ARG HG3 H 1 1.129 . . 2 . . . A 78 ARG HG3 . 17434 1 87 . 1 1 8 8 ARG HD2 H 1 3.115 . . 2 . . . A 78 ARG HD2 . 17434 1 88 . 1 1 8 8 ARG HD3 H 1 3.048 . . 2 . . . A 78 ARG HD3 . 17434 1 89 . 1 1 8 8 ARG C C 13 173.884 . . 1 . . . A 78 ARG C . 17434 1 90 . 1 1 8 8 ARG CA C 13 54.977 . . 1 . . . A 78 ARG CA . 17434 1 91 . 1 1 8 8 ARG CB C 13 34.268 . . 1 . . . A 78 ARG CB . 17434 1 92 . 1 1 8 8 ARG CG C 13 27.271 . . 1 . . . A 78 ARG CG . 17434 1 93 . 1 1 8 8 ARG CD C 13 43.324 . . 1 . . . A 78 ARG CD . 17434 1 94 . 1 1 8 8 ARG N N 15 122.463 . . 1 . . . A 78 ARG N . 17434 1 95 . 1 1 9 9 ASP H H 1 8.403 . . 1 . . . A 79 ASP H . 17434 1 96 . 1 1 9 9 ASP HA H 1 5.042 . . 1 . . . A 79 ASP HA . 17434 1 97 . 1 1 9 9 ASP HB2 H 1 2.191 . . 2 . . . A 79 ASP HB2 . 17434 1 98 . 1 1 9 9 ASP HB3 H 1 1.494 . . 2 . . . A 79 ASP HB3 . 17434 1 99 . 1 1 9 9 ASP CA C 13 50.422 . . 1 . . . A 79 ASP CA . 17434 1 100 . 1 1 9 9 ASP CB C 13 41.350 . . 1 . . . A 79 ASP CB . 17434 1 101 . 1 1 9 9 ASP N N 15 126.970 . . 1 . . . A 79 ASP N . 17434 1 102 . 1 1 10 10 PRO HA H 1 4.247 . . 1 . . . A 80 PRO HA . 17434 1 103 . 1 1 10 10 PRO HB2 H 1 2.373 . . 2 . . . A 80 PRO HB2 . 17434 1 104 . 1 1 10 10 PRO HB3 H 1 2.028 . . 2 . . . A 80 PRO HB3 . 17434 1 105 . 1 1 10 10 PRO HG2 H 1 2.160 . . 2 . . . A 80 PRO HG2 . 17434 1 106 . 1 1 10 10 PRO HG3 H 1 2.100 . . 2 . . . A 80 PRO HG3 . 17434 1 107 . 1 1 10 10 PRO HD2 H 1 4.417 . . 2 . . . A 80 PRO HD2 . 17434 1 108 . 1 1 10 10 PRO HD3 H 1 4.233 . . 2 . . . A 80 PRO HD3 . 17434 1 109 . 1 1 10 10 PRO C C 13 177.929 . . 1 . . . A 80 PRO C . 17434 1 110 . 1 1 10 10 PRO CA C 13 64.250 . . 1 . . . A 80 PRO CA . 17434 1 111 . 1 1 10 10 PRO CB C 13 32.202 . . 1 . . . A 80 PRO CB . 17434 1 112 . 1 1 10 10 PRO CG C 13 27.272 . . 1 . . . A 80 PRO CG . 17434 1 113 . 1 1 10 10 PRO CD C 13 51.273 . . 1 . . . A 80 PRO CD . 17434 1 114 . 1 1 11 11 ALA H H 1 8.021 . . 1 . . . A 81 ALA H . 17434 1 115 . 1 1 11 11 ALA HA H 1 4.245 . . 1 . . . A 81 ALA HA . 17434 1 116 . 1 1 11 11 ALA HB1 H 1 1.536 . . 1 . . . A 81 ALA HB1 . 17434 1 117 . 1 1 11 11 ALA HB2 H 1 1.536 . . 1 . . . A 81 ALA HB1 . 17434 1 118 . 1 1 11 11 ALA HB3 H 1 1.536 . . 1 . . . A 81 ALA HB1 . 17434 1 119 . 1 1 11 11 ALA C C 13 179.102 . . 1 . . . A 81 ALA C . 17434 1 120 . 1 1 11 11 ALA CA C 13 54.419 . . 1 . . . A 81 ALA CA . 17434 1 121 . 1 1 11 11 ALA CB C 13 19.257 . . 1 . . . A 81 ALA CB . 17434 1 122 . 1 1 11 11 ALA N N 15 119.303 . . 1 . . . A 81 ALA N . 17434 1 123 . 1 1 12 12 THR H H 1 6.884 . . 1 . . . A 82 THR H . 17434 1 124 . 1 1 12 12 THR HA H 1 4.387 . . 1 . . . A 82 THR HA . 17434 1 125 . 1 1 12 12 THR HB H 1 4.133 . . 1 . . . A 82 THR HB . 17434 1 126 . 1 1 12 12 THR HG21 H 1 1.086 . . 1 . . . A 82 THR HG21 . 17434 1 127 . 1 1 12 12 THR HG22 H 1 1.086 . . 1 . . . A 82 THR HG21 . 17434 1 128 . 1 1 12 12 THR HG23 H 1 1.086 . . 1 . . . A 82 THR HG21 . 17434 1 129 . 1 1 12 12 THR C C 13 176.355 . . 1 . . . A 82 THR C . 17434 1 130 . 1 1 12 12 THR CA C 13 61.430 . . 1 . . . A 82 THR CA . 17434 1 131 . 1 1 12 12 THR CB C 13 71.635 . . 1 . . . A 82 THR CB . 17434 1 132 . 1 1 12 12 THR CG2 C 13 20.938 . . 1 . . . A 82 THR CG2 . 17434 1 133 . 1 1 12 12 THR N N 15 104.428 . . 1 . . . A 82 THR N . 17434 1 134 . 1 1 13 13 GLY H H 1 8.552 . . 1 . . . A 83 GLY H . 17434 1 135 . 1 1 13 13 GLY HA2 H 1 4.155 . . 2 . . . A 83 GLY HA2 . 17434 1 136 . 1 1 13 13 GLY HA3 H 1 3.473 . . 2 . . . A 83 GLY HA3 . 17434 1 137 . 1 1 13 13 GLY C C 13 174.123 . . 1 . . . A 83 GLY C . 17434 1 138 . 1 1 13 13 GLY CA C 13 45.441 . . 1 . . . A 83 GLY CA . 17434 1 139 . 1 1 13 13 GLY N N 15 112.323 . . 1 . . . A 83 GLY N . 17434 1 140 . 1 1 14 14 LYS H H 1 7.514 . . 1 . . . A 84 LYS H . 17434 1 141 . 1 1 14 14 LYS HA H 1 4.123 . . 1 . . . A 84 LYS HA . 17434 1 142 . 1 1 14 14 LYS HB2 H 1 1.417 . . 2 . . . A 84 LYS HB2 . 17434 1 143 . 1 1 14 14 LYS HB3 H 1 0.623 . . 2 . . . A 84 LYS HB3 . 17434 1 144 . 1 1 14 14 LYS HG2 H 1 1.159 . . 2 . . . A 84 LYS HG2 . 17434 1 145 . 1 1 14 14 LYS HG3 H 1 1.254 . . 2 . . . A 84 LYS HG3 . 17434 1 146 . 1 1 14 14 LYS HD2 H 1 1.431 . . 2 . . . A 84 LYS HD2 . 17434 1 147 . 1 1 14 14 LYS HD3 H 1 1.208 . . 2 . . . A 84 LYS HD3 . 17434 1 148 . 1 1 14 14 LYS HE2 H 1 2.811 . . 2 . . . A 84 LYS HE2 . 17434 1 149 . 1 1 14 14 LYS C C 13 175.347 . . 1 . . . A 84 LYS C . 17434 1 150 . 1 1 14 14 LYS CA C 13 57.546 . . 1 . . . A 84 LYS CA . 17434 1 151 . 1 1 14 14 LYS CB C 13 33.011 . . 1 . . . A 84 LYS CB . 17434 1 152 . 1 1 14 14 LYS CG C 13 25.776 . . 1 . . . A 84 LYS CG . 17434 1 153 . 1 1 14 14 LYS CD C 13 29.036 . . 1 . . . A 84 LYS CD . 17434 1 154 . 1 1 14 14 LYS CE C 13 42.248 . . 1 . . . A 84 LYS CE . 17434 1 155 . 1 1 14 14 LYS N N 15 121.271 . . 1 . . . A 84 LYS N . 17434 1 156 . 1 1 15 15 THR H H 1 8.312 . . 1 . . . A 85 THR H . 17434 1 157 . 1 1 15 15 THR HA H 1 5.540 . . 1 . . . A 85 THR HA . 17434 1 158 . 1 1 15 15 THR HB H 1 4.408 . . 1 . . . A 85 THR HB . 17434 1 159 . 1 1 15 15 THR HG21 H 1 1.256 . . 1 . . . A 85 THR HG21 . 17434 1 160 . 1 1 15 15 THR HG22 H 1 1.256 . . 1 . . . A 85 THR HG21 . 17434 1 161 . 1 1 15 15 THR HG23 H 1 1.256 . . 1 . . . A 85 THR HG21 . 17434 1 162 . 1 1 15 15 THR C C 13 174.888 . . 1 . . . A 85 THR C . 17434 1 163 . 1 1 15 15 THR CA C 13 59.904 . . 1 . . . A 85 THR CA . 17434 1 164 . 1 1 15 15 THR CB C 13 73.139 . . 1 . . . A 85 THR CB . 17434 1 165 . 1 1 15 15 THR CG2 C 13 21.389 . . 1 . . . A 85 THR CG2 . 17434 1 166 . 1 1 15 15 THR N N 15 109.262 . . 1 . . . A 85 THR N . 17434 1 167 . 1 1 16 16 TRP H H 1 8.873 . . 1 . . . A 86 TRP H . 17434 1 168 . 1 1 16 16 TRP HA H 1 5.495 . . 1 . . . A 86 TRP HA . 17434 1 169 . 1 1 16 16 TRP HB2 H 1 3.259 . . 2 . . . A 86 TRP HB2 . 17434 1 170 . 1 1 16 16 TRP HB3 H 1 3.131 . . 2 . . . A 86 TRP HB3 . 17434 1 171 . 1 1 16 16 TRP HD1 H 1 7.850 . . 1 . . . A 86 TRP HD1 . 17434 1 172 . 1 1 16 16 TRP HE1 H 1 10.026 . . 1 . . . A 86 TRP HE1 . 17434 1 173 . 1 1 16 16 TRP HE3 H 1 7.004 . . 1 . . . A 86 TRP HE3 . 17434 1 174 . 1 1 16 16 TRP HZ2 H 1 7.091 . . 4 . . . A 86 TRP HZ2 . 17434 1 175 . 1 1 16 16 TRP HZ3 H 1 6.816 . . 4 . . . A 86 TRP HZ3 . 17434 1 176 . 1 1 16 16 TRP HH2 H 1 6.592 . . 1 . . . A 86 TRP HH2 . 17434 1 177 . 1 1 16 16 TRP CA C 13 56.506 . . 1 . . . A 86 TRP CA . 17434 1 178 . 1 1 16 16 TRP CB C 13 32.386 . . 1 . . . A 86 TRP CB . 17434 1 179 . 1 1 16 16 TRP CD1 C 13 127.899 . . 1 . . . A 86 TRP CD1 . 17434 1 180 . 1 1 16 16 TRP CE3 C 13 133.994 . . 1 . . . A 86 TRP CE3 . 17434 1 181 . 1 1 16 16 TRP CZ2 C 13 125.320 . . 4 . . . A 86 TRP CZ2 . 17434 1 182 . 1 1 16 16 TRP CZ3 C 13 121.589 . . 4 . . . A 86 TRP CZ3 . 17434 1 183 . 1 1 16 16 TRP CH2 C 13 122.741 . . 1 . . . A 86 TRP CH2 . 17434 1 184 . 1 1 16 16 TRP N N 15 119.900 . . 1 . . . A 86 TRP N . 17434 1 185 . 1 1 16 16 TRP NE1 N 15 133.805 . . 1 . . . A 86 TRP NE1 . 17434 1 186 . 1 1 17 17 SER HA H 1 4.380 . . 1 . . . A 87 SER HA . 17434 1 187 . 1 1 17 17 SER HB2 H 1 3.905 . . 2 . . . A 87 SER HB2 . 17434 1 188 . 1 1 17 17 SER HB3 H 1 3.864 . . 2 . . . A 87 SER HB3 . 17434 1 189 . 1 1 17 17 SER CA C 13 59.075 . . 1 . . . A 87 SER CA . 17434 1 190 . 1 1 17 17 SER CB C 13 64.375 . . 1 . . . A 87 SER CB . 17434 1 191 . 1 1 18 18 GLY HA2 H 1 3.653 . . 2 . . . A 88 GLY HA2 . 17434 1 192 . 1 1 18 18 GLY HA3 H 1 1.296 . . 2 . . . A 88 GLY HA3 . 17434 1 193 . 1 1 18 18 GLY C C 13 172.612 . . 1 . . . A 88 GLY C . 17434 1 194 . 1 1 18 18 GLY CA C 13 44.330 . . 1 . . . A 88 GLY CA . 17434 1 195 . 1 1 19 19 ARG H H 1 7.384 . . 1 . . . A 89 ARG H . 17434 1 196 . 1 1 19 19 ARG HA H 1 4.514 . . 1 . . . A 89 ARG HA . 17434 1 197 . 1 1 19 19 ARG HB2 H 1 1.786 . . 2 . . . A 89 ARG HB2 . 17434 1 198 . 1 1 19 19 ARG HB3 H 1 1.633 . . 2 . . . A 89 ARG HB3 . 17434 1 199 . 1 1 19 19 ARG HG2 H 1 1.463 . . 2 . . . A 89 ARG HG2 . 17434 1 200 . 1 1 19 19 ARG HD2 H 1 3.129 . . 2 . . . A 89 ARG HD2 . 17434 1 201 . 1 1 19 19 ARG C C 13 176.625 . . 1 . . . A 89 ARG C . 17434 1 202 . 1 1 19 19 ARG CA C 13 54.885 . . 1 . . . A 89 ARG CA . 17434 1 203 . 1 1 19 19 ARG CB C 13 31.828 . . 1 . . . A 89 ARG CB . 17434 1 204 . 1 1 19 19 ARG CG C 13 27.089 . . 1 . . . A 89 ARG CG . 17434 1 205 . 1 1 19 19 ARG CD C 13 43.209 . . 1 . . . A 89 ARG CD . 17434 1 206 . 1 1 19 19 ARG N N 15 119.744 . . 1 . . . A 89 ARG N . 17434 1 207 . 1 1 20 20 GLY H H 1 8.757 . . 1 . . . A 90 GLY H . 17434 1 208 . 1 1 20 20 GLY HA2 H 1 4.228 . . 2 . . . A 90 GLY HA2 . 17434 1 209 . 1 1 20 20 GLY HA3 H 1 3.823 . . 2 . . . A 90 GLY HA3 . 17434 1 210 . 1 1 20 20 GLY C C 13 173.879 . . 1 . . . A 90 GLY C . 17434 1 211 . 1 1 20 20 GLY CA C 13 44.815 . . 1 . . . A 90 GLY CA . 17434 1 212 . 1 1 20 20 GLY N N 15 112.343 . . 1 . . . A 90 GLY N . 17434 1 213 . 1 1 21 21 ARG H H 1 8.420 . . 1 . . . A 91 ARG H . 17434 1 214 . 1 1 21 21 ARG HA H 1 4.066 . . 1 . . . A 91 ARG HA . 17434 1 215 . 1 1 21 21 ARG HB2 H 1 1.660 . . 2 . . . A 91 ARG HB2 . 17434 1 216 . 1 1 21 21 ARG HG2 H 1 1.495 . . 2 . . . A 91 ARG HG2 . 17434 1 217 . 1 1 21 21 ARG HG3 H 1 1.578 . . 2 . . . A 91 ARG HG3 . 17434 1 218 . 1 1 21 21 ARG HD2 H 1 3.130 . . 2 . . . A 91 ARG HD2 . 17434 1 219 . 1 1 21 21 ARG C C 13 176.444 . . 1 . . . A 91 ARG C . 17434 1 220 . 1 1 21 21 ARG CA C 13 56.326 . . 1 . . . A 91 ARG CA . 17434 1 221 . 1 1 21 21 ARG CB C 13 30.390 . . 1 . . . A 91 ARG CB . 17434 1 222 . 1 1 21 21 ARG CG C 13 26.976 . . 1 . . . A 91 ARG CG . 17434 1 223 . 1 1 21 21 ARG CD C 13 43.295 . . 1 . . . A 91 ARG CD . 17434 1 224 . 1 1 21 21 ARG N N 15 122.313 . . 1 . . . A 91 ARG N . 17434 1 225 . 1 1 22 22 GLN H H 1 8.440 . . 1 . . . A 92 GLN H . 17434 1 226 . 1 1 22 22 GLN HA H 1 2.838 . . 1 . . . A 92 GLN HA . 17434 1 227 . 1 1 22 22 GLN HB2 H 1 1.516 . . 2 . . . A 92 GLN HB2 . 17434 1 228 . 1 1 22 22 GLN HB3 H 1 1.414 . . 2 . . . A 92 GLN HB3 . 17434 1 229 . 1 1 22 22 GLN HG2 H 1 1.676 . . 2 . . . A 92 GLN HG2 . 17434 1 230 . 1 1 22 22 GLN HG3 H 1 1.401 . . 2 . . . A 92 GLN HG3 . 17434 1 231 . 1 1 22 22 GLN HE21 H 1 6.722 . . 2 . . . A 92 GLN HE21 . 17434 1 232 . 1 1 22 22 GLN HE22 H 1 7.116 . . 2 . . . A 92 GLN HE22 . 17434 1 233 . 1 1 22 22 GLN CA C 13 53.605 . . 1 . . . A 92 GLN CA . 17434 1 234 . 1 1 22 22 GLN CB C 13 29.280 . . 1 . . . A 92 GLN CB . 17434 1 235 . 1 1 22 22 GLN CG C 13 33.407 . . 1 . . . A 92 GLN CG . 17434 1 236 . 1 1 22 22 GLN N N 15 126.821 . . 1 . . . A 92 GLN N . 17434 1 237 . 1 1 22 22 GLN NE2 N 15 112.499 . . 1 . . . A 92 GLN NE2 . 17434 1 238 . 1 1 23 23 PRO HA H 1 4.033 . . 1 . . . A 93 PRO HA . 17434 1 239 . 1 1 23 23 PRO HB2 H 1 1.909 . . 2 . . . A 93 PRO HB2 . 17434 1 240 . 1 1 23 23 PRO HB3 H 1 0.531 . . 2 . . . A 93 PRO HB3 . 17434 1 241 . 1 1 23 23 PRO HG2 H 1 1.316 . . 2 . . . A 93 PRO HG2 . 17434 1 242 . 1 1 23 23 PRO HG3 H 1 0.714 . . 2 . . . A 93 PRO HG3 . 17434 1 243 . 1 1 23 23 PRO HD2 H 1 2.105 . . 2 . . . A 93 PRO HD2 . 17434 1 244 . 1 1 23 23 PRO HD3 H 1 1.391 . . 2 . . . A 93 PRO HD3 . 17434 1 245 . 1 1 23 23 PRO C C 13 177.454 . . 1 . . . A 93 PRO C . 17434 1 246 . 1 1 23 23 PRO CA C 13 61.917 . . 1 . . . A 93 PRO CA . 17434 1 247 . 1 1 23 23 PRO CB C 13 32.374 . . 1 . . . A 93 PRO CB . 17434 1 248 . 1 1 23 23 PRO CG C 13 27.116 . . 1 . . . A 93 PRO CG . 17434 1 249 . 1 1 23 23 PRO CD C 13 49.137 . . 1 . . . A 93 PRO CD . 17434 1 250 . 1 1 24 24 ALA H H 1 8.621 . . 1 . . . A 94 ALA H . 17434 1 251 . 1 1 24 24 ALA HA H 1 3.893 . . 1 . . . A 94 ALA HA . 17434 1 252 . 1 1 24 24 ALA HB1 H 1 1.381 . . 1 . . . A 94 ALA HB1 . 17434 1 253 . 1 1 24 24 ALA HB2 H 1 1.381 . . 1 . . . A 94 ALA HB1 . 17434 1 254 . 1 1 24 24 ALA HB3 H 1 1.381 . . 1 . . . A 94 ALA HB1 . 17434 1 255 . 1 1 24 24 ALA C C 13 179.366 . . 1 . . . A 94 ALA C . 17434 1 256 . 1 1 24 24 ALA CA C 13 54.417 . . 1 . . . A 94 ALA CA . 17434 1 257 . 1 1 24 24 ALA CB C 13 18.318 . . 1 . . . A 94 ALA CB . 17434 1 258 . 1 1 24 24 ALA N N 15 124.858 . . 1 . . . A 94 ALA N . 17434 1 259 . 1 1 25 25 TRP H H 1 6.993 . . 1 . . . A 95 TRP H . 17434 1 260 . 1 1 25 25 TRP HA H 1 4.306 . . 1 . . . A 95 TRP HA . 17434 1 261 . 1 1 25 25 TRP HB2 H 1 3.409 . . 2 . . . A 95 TRP HB2 . 17434 1 262 . 1 1 25 25 TRP HB3 H 1 3.049 . . 2 . . . A 95 TRP HB3 . 17434 1 263 . 1 1 25 25 TRP HD1 H 1 7.383 . . 1 . . . A 95 TRP HD1 . 17434 1 264 . 1 1 25 25 TRP HE1 H 1 10.515 . . 1 . . . A 95 TRP HE1 . 17434 1 265 . 1 1 25 25 TRP HE3 H 1 7.616 . . 1 . . . A 95 TRP HE3 . 17434 1 266 . 1 1 25 25 TRP HZ2 H 1 7.002 . . 4 . . . A 95 TRP HZ2 . 17434 1 267 . 1 1 25 25 TRP HZ3 H 1 6.378 . . 4 . . . A 95 TRP HZ3 . 17434 1 268 . 1 1 25 25 TRP HH2 H 1 6.678 . . 1 . . . A 95 TRP HH2 . 17434 1 269 . 1 1 25 25 TRP C C 13 176.361 . . 1 . . . A 95 TRP C . 17434 1 270 . 1 1 25 25 TRP CA C 13 56.517 . . 1 . . . A 95 TRP CA . 17434 1 271 . 1 1 25 25 TRP CB C 13 28.154 . . 1 . . . A 95 TRP CB . 17434 1 272 . 1 1 25 25 TRP CD1 C 13 114.771 . . 1 . . . A 95 TRP CD1 . 17434 1 273 . 1 1 25 25 TRP CZ2 C 13 113.833 . . 4 . . . A 95 TRP CZ2 . 17434 1 274 . 1 1 25 25 TRP CZ3 C 13 122.507 . . 4 . . . A 95 TRP CZ3 . 17434 1 275 . 1 1 25 25 TRP CH2 C 13 124.148 . . 1 . . . A 95 TRP CH2 . 17434 1 276 . 1 1 25 25 TRP N N 15 113.440 . . 1 . . . A 95 TRP N . 17434 1 277 . 1 1 25 25 TRP NE1 N 15 131.867 . . 1 . . . A 95 TRP NE1 . 17434 1 278 . 1 1 26 26 LEU H H 1 6.319 . . 1 . . . A 96 LEU H . 17434 1 279 . 1 1 26 26 LEU HA H 1 3.577 . . 1 . . . A 96 LEU HA . 17434 1 280 . 1 1 26 26 LEU HB2 H 1 1.104 . . 2 . . . A 96 LEU HB2 . 17434 1 281 . 1 1 26 26 LEU HB3 H 1 0.748 . . 2 . . . A 96 LEU HB3 . 17434 1 282 . 1 1 26 26 LEU HG H 1 0.416 . . 1 . . . A 96 LEU HG . 17434 1 283 . 1 1 26 26 LEU HD11 H 1 0.057 . . 2 . . . A 96 LEU HD11 . 17434 1 284 . 1 1 26 26 LEU HD12 H 1 0.057 . . 2 . . . A 96 LEU HD11 . 17434 1 285 . 1 1 26 26 LEU HD13 H 1 0.057 . . 2 . . . A 96 LEU HD11 . 17434 1 286 . 1 1 26 26 LEU HD21 H 1 -0.018 . . 2 . . . A 96 LEU HD21 . 17434 1 287 . 1 1 26 26 LEU HD22 H 1 -0.018 . . 2 . . . A 96 LEU HD21 . 17434 1 288 . 1 1 26 26 LEU HD23 H 1 -0.018 . . 2 . . . A 96 LEU HD21 . 17434 1 289 . 1 1 26 26 LEU C C 13 176.849 . . 1 . . . A 96 LEU C . 17434 1 290 . 1 1 26 26 LEU CA C 13 55.994 . . 1 . . . A 96 LEU CA . 17434 1 291 . 1 1 26 26 LEU CB C 13 41.738 . . 1 . . . A 96 LEU CB . 17434 1 292 . 1 1 26 26 LEU CG C 13 27.244 . . 1 . . . A 96 LEU CG . 17434 1 293 . 1 1 26 26 LEU CD1 C 13 25.247 . . 1 . . . A 96 LEU CD1 . 17434 1 294 . 1 1 26 26 LEU CD2 C 13 25.653 . . 1 . . . A 96 LEU CD2 . 17434 1 295 . 1 1 26 26 LEU N N 15 122.374 . . 1 . . . A 96 LEU N . 17434 1 296 . 1 1 27 27 GLY H H 1 7.280 . . 1 . . . A 97 GLY H . 17434 1 297 . 1 1 27 27 GLY HA2 H 1 3.850 . . 2 . . . A 97 GLY HA2 . 17434 1 298 . 1 1 27 27 GLY HA3 H 1 3.719 . . 2 . . . A 97 GLY HA3 . 17434 1 299 . 1 1 27 27 GLY C C 13 173.642 . . 1 . . . A 97 GLY C . 17434 1 300 . 1 1 27 27 GLY CA C 13 45.738 . . 1 . . . A 97 GLY CA . 17434 1 301 . 1 1 27 27 GLY N N 15 104.885 . . 1 . . . A 97 GLY N . 17434 1 302 . 1 1 28 28 ASN H H 1 8.440 . . 1 . . . A 98 ASN H . 17434 1 303 . 1 1 28 28 ASN HA H 1 4.644 . . 1 . . . A 98 ASN HA . 17434 1 304 . 1 1 28 28 ASN HB2 H 1 2.843 . . 2 . . . A 98 ASN HB2 . 17434 1 305 . 1 1 28 28 ASN HB3 H 1 2.772 . . 2 . . . A 98 ASN HB3 . 17434 1 306 . 1 1 28 28 ASN HD21 H 1 6.918 . . 2 . . . A 98 ASN HD21 . 17434 1 307 . 1 1 28 28 ASN HD22 H 1 7.611 . . 2 . . . A 98 ASN HD22 . 17434 1 308 . 1 1 28 28 ASN C C 13 175.133 . . 1 . . . A 98 ASN C . 17434 1 309 . 1 1 28 28 ASN CA C 13 53.474 . . 1 . . . A 98 ASN CA . 17434 1 310 . 1 1 28 28 ASN CB C 13 38.943 . . 1 . . . A 98 ASN CB . 17434 1 311 . 1 1 28 28 ASN N N 15 118.341 . . 1 . . . A 98 ASN N . 17434 1 312 . 1 1 28 28 ASN ND2 N 15 113.438 . . 1 . . . A 98 ASN ND2 . 17434 1 313 . 1 1 29 29 ASP H H 1 8.080 . . 1 . . . A 99 ASP H . 17434 1 314 . 1 1 29 29 ASP HA H 1 5.110 . . 1 . . . A 99 ASP HA . 17434 1 315 . 1 1 29 29 ASP HB2 H 1 2.912 . . 2 . . . A 99 ASP HB2 . 17434 1 316 . 1 1 29 29 ASP HB3 H 1 2.485 . . 2 . . . A 99 ASP HB3 . 17434 1 317 . 1 1 29 29 ASP CA C 13 51.358 . . 1 . . . A 99 ASP CA . 17434 1 318 . 1 1 29 29 ASP CB C 13 41.117 . . 1 . . . A 99 ASP CB . 17434 1 319 . 1 1 29 29 ASP N N 15 118.599 . . 1 . . . A 99 ASP N . 17434 1 320 . 1 1 30 30 PRO HA H 1 4.340 . . 1 . . . A 100 PRO HA . 17434 1 321 . 1 1 30 30 PRO HB2 H 1 1.994 . . 2 . . . A 100 PRO HB2 . 17434 1 322 . 1 1 30 30 PRO HB3 H 1 1.945 . . 2 . . . A 100 PRO HB3 . 17434 1 323 . 1 1 30 30 PRO HG2 H 1 2.079 . . 2 . . . A 100 PRO HG2 . 17434 1 324 . 1 1 30 30 PRO HG3 H 1 1.785 . . 2 . . . A 100 PRO HG3 . 17434 1 325 . 1 1 30 30 PRO HD2 H 1 3.873 . . 2 . . . A 100 PRO HD2 . 17434 1 326 . 1 1 30 30 PRO HD3 H 1 3.486 . . 2 . . . A 100 PRO HD3 . 17434 1 327 . 1 1 30 30 PRO C C 13 177.486 . . 1 . . . A 100 PRO C . 17434 1 328 . 1 1 30 30 PRO CA C 13 64.887 . . 1 . . . A 100 PRO CA . 17434 1 329 . 1 1 30 30 PRO CB C 13 31.914 . . 1 . . . A 100 PRO CB . 17434 1 330 . 1 1 30 30 PRO CG C 13 27.273 . . 1 . . . A 100 PRO CG . 17434 1 331 . 1 1 30 30 PRO CD C 13 50.417 . . 1 . . . A 100 PRO CD . 17434 1 332 . 1 1 31 31 ALA H H 1 8.028 . . 1 . . . A 101 ALA H . 17434 1 333 . 1 1 31 31 ALA HA H 1 4.278 . . 1 . . . A 101 ALA HA . 17434 1 334 . 1 1 31 31 ALA HB1 H 1 1.532 . . 1 . . . A 101 ALA HB1 . 17434 1 335 . 1 1 31 31 ALA HB2 H 1 1.532 . . 1 . . . A 101 ALA HB1 . 17434 1 336 . 1 1 31 31 ALA HB3 H 1 1.532 . . 1 . . . A 101 ALA HB1 . 17434 1 337 . 1 1 31 31 ALA C C 13 179.625 . . 1 . . . A 101 ALA C . 17434 1 338 . 1 1 31 31 ALA CA C 13 54.703 . . 1 . . . A 101 ALA CA . 17434 1 339 . 1 1 31 31 ALA CB C 13 18.362 . . 1 . . . A 101 ALA CB . 17434 1 340 . 1 1 31 31 ALA N N 15 118.705 . . 1 . . . A 101 ALA N . 17434 1 341 . 1 1 32 32 ALA H H 1 7.791 . . 1 . . . A 102 ALA H . 17434 1 342 . 1 1 32 32 ALA HA H 1 4.106 . . 1 . . . A 102 ALA HA . 17434 1 343 . 1 1 32 32 ALA HB1 H 1 1.220 . . 1 . . . A 102 ALA HB1 . 17434 1 344 . 1 1 32 32 ALA HB2 H 1 1.220 . . 1 . . . A 102 ALA HB1 . 17434 1 345 . 1 1 32 32 ALA HB3 H 1 1.220 . . 1 . . . A 102 ALA HB1 . 17434 1 346 . 1 1 32 32 ALA C C 13 178.541 . . 1 . . . A 102 ALA C . 17434 1 347 . 1 1 32 32 ALA CA C 13 53.952 . . 1 . . . A 102 ALA CA . 17434 1 348 . 1 1 32 32 ALA CB C 13 18.360 . . 1 . . . A 102 ALA CB . 17434 1 349 . 1 1 32 32 ALA N N 15 120.605 . . 1 . . . A 102 ALA N . 17434 1 350 . 1 1 33 33 PHE H H 1 8.255 . . 1 . . . A 103 PHE H . 17434 1 351 . 1 1 33 33 PHE HA H 1 4.898 . . 1 . . . A 103 PHE HA . 17434 1 352 . 1 1 33 33 PHE HB2 H 1 3.885 . . 2 . . . A 103 PHE HB2 . 17434 1 353 . 1 1 33 33 PHE HB3 H 1 3.172 . . 2 . . . A 103 PHE HB3 . 17434 1 354 . 1 1 33 33 PHE HD1 H 1 7.004 . . 3 . . . A 103 PHE HD1 . 17434 1 355 . 1 1 33 33 PHE HD2 H 1 7.004 . . 3 . . . A 103 PHE HD2 . 17434 1 356 . 1 1 33 33 PHE HE1 H 1 6.587 . . 3 . . . A 103 PHE HE1 . 17434 1 357 . 1 1 33 33 PHE HE2 H 1 6.587 . . 3 . . . A 103 PHE HE2 . 17434 1 358 . 1 1 33 33 PHE HZ H 1 6.816 . . 1 . . . A 103 PHE HZ . 17434 1 359 . 1 1 33 33 PHE C C 13 175.314 . . 1 . . . A 103 PHE C . 17434 1 360 . 1 1 33 33 PHE CA C 13 57.276 . . 1 . . . A 103 PHE CA . 17434 1 361 . 1 1 33 33 PHE CB C 13 40.079 . . 1 . . . A 103 PHE CB . 17434 1 362 . 1 1 33 33 PHE CD1 C 13 133.994 . . 3 . . . A 103 PHE CD1 . 17434 1 363 . 1 1 33 33 PHE CD2 C 13 133.994 . . 3 . . . A 103 PHE CD2 . 17434 1 364 . 1 1 33 33 PHE CE1 C 13 118.522 . . 3 . . . A 103 PHE CE1 . 17434 1 365 . 1 1 33 33 PHE CE2 C 13 118.522 . . 3 . . . A 103 PHE CE2 . 17434 1 366 . 1 1 33 33 PHE CZ C 13 121.569 . . 1 . . . A 103 PHE CZ . 17434 1 367 . 1 1 33 33 PHE N N 15 115.907 . . 1 . . . A 103 PHE N . 17434 1 368 . 1 1 34 34 LEU H H 1 7.500 . . 1 . . . A 104 LEU H . 17434 1 369 . 1 1 34 34 LEU HA H 1 4.178 . . 1 . . . A 104 LEU HA . 17434 1 370 . 1 1 34 34 LEU HB2 H 1 1.626 . . 2 . . . A 104 LEU HB2 . 17434 1 371 . 1 1 34 34 LEU HB3 H 1 1.558 . . 2 . . . A 104 LEU HB3 . 17434 1 372 . 1 1 34 34 LEU HG H 1 1.595 . . 1 . . . A 104 LEU HG . 17434 1 373 . 1 1 34 34 LEU HD11 H 1 0.824 . . 2 . . . A 104 LEU HD11 . 17434 1 374 . 1 1 34 34 LEU HD12 H 1 0.824 . . 2 . . . A 104 LEU HD11 . 17434 1 375 . 1 1 34 34 LEU HD13 H 1 0.824 . . 2 . . . A 104 LEU HD11 . 17434 1 376 . 1 1 34 34 LEU HD21 H 1 0.664 . . 2 . . . A 104 LEU HD21 . 17434 1 377 . 1 1 34 34 LEU HD22 H 1 0.664 . . 2 . . . A 104 LEU HD21 . 17434 1 378 . 1 1 34 34 LEU HD23 H 1 0.664 . . 2 . . . A 104 LEU HD21 . 17434 1 379 . 1 1 34 34 LEU C C 13 177.955 . . 1 . . . A 104 LEU C . 17434 1 380 . 1 1 34 34 LEU CA C 13 56.262 . . 1 . . . A 104 LEU CA . 17434 1 381 . 1 1 34 34 LEU CB C 13 43.285 . . 1 . . . A 104 LEU CB . 17434 1 382 . 1 1 34 34 LEU CG C 13 27.149 . . 1 . . . A 104 LEU CG . 17434 1 383 . 1 1 34 34 LEU CD1 C 13 24.884 . . 1 . . . A 104 LEU CD1 . 17434 1 384 . 1 1 34 34 LEU CD2 C 13 24.637 . . 1 . . . A 104 LEU CD2 . 17434 1 385 . 1 1 34 34 LEU N N 15 123.806 . . 1 . . . A 104 LEU N . 17434 1 386 . 1 1 35 35 ILE H H 1 8.144 . . 1 . . . A 105 ILE H . 17434 1 387 . 1 1 35 35 ILE HA H 1 4.030 . . 1 . . . A 105 ILE HA . 17434 1 388 . 1 1 35 35 ILE HB H 1 1.602 . . 1 . . . A 105 ILE HB . 17434 1 389 . 1 1 35 35 ILE HG12 H 1 1.430 . . 1 . . . A 105 ILE HG12 . 17434 1 390 . 1 1 35 35 ILE HG13 H 1 1.005 . . 1 . . . A 105 ILE HG13 . 17434 1 391 . 1 1 35 35 ILE HG21 H 1 0.857 . . 1 . . . A 105 ILE HG21 . 17434 1 392 . 1 1 35 35 ILE HG22 H 1 0.857 . . 1 . . . A 105 ILE HG21 . 17434 1 393 . 1 1 35 35 ILE HG23 H 1 0.857 . . 1 . . . A 105 ILE HG21 . 17434 1 394 . 1 1 35 35 ILE HD11 H 1 0.722 . . 1 . . . A 105 ILE HD11 . 17434 1 395 . 1 1 35 35 ILE HD12 H 1 0.722 . . 1 . . . A 105 ILE HD11 . 17434 1 396 . 1 1 35 35 ILE HD13 H 1 0.722 . . 1 . . . A 105 ILE HD11 . 17434 1 397 . 1 1 35 35 ILE C C 13 175.993 . . 1 . . . A 105 ILE C . 17434 1 398 . 1 1 35 35 ILE CA C 13 62.212 . . 1 . . . A 105 ILE CA . 17434 1 399 . 1 1 35 35 ILE CB C 13 38.680 . . 1 . . . A 105 ILE CB . 17434 1 400 . 1 1 35 35 ILE CG1 C 13 28.533 . . 1 . . . A 105 ILE CG1 . 17434 1 401 . 1 1 35 35 ILE CG2 C 13 17.418 . . 1 . . . A 105 ILE CG2 . 17434 1 402 . 1 1 35 35 ILE CD1 C 13 13.795 . . 1 . . . A 105 ILE CD1 . 17434 1 403 . 1 1 35 35 ILE N N 15 125.676 . . 1 . . . A 105 ILE N . 17434 1 404 . 1 1 36 36 GLN H H 1 8.493 . . 1 . . . A 106 GLN H . 17434 1 405 . 1 1 36 36 GLN HA H 1 4.657 . . 1 . . . A 106 GLN HA . 17434 1 406 . 1 1 36 36 GLN HB2 H 1 2.103 . . 2 . . . A 106 GLN HB2 . 17434 1 407 . 1 1 36 36 GLN HB3 H 1 1.910 . . 2 . . . A 106 GLN HB3 . 17434 1 408 . 1 1 36 36 GLN HG2 H 1 2.367 . . 2 . . . A 106 GLN HG2 . 17434 1 409 . 1 1 36 36 GLN HE21 H 1 6.866 . . 2 . . . A 106 GLN HE21 . 17434 1 410 . 1 1 36 36 GLN HE22 H 1 7.597 . . 2 . . . A 106 GLN HE22 . 17434 1 411 . 1 1 36 36 GLN CA C 13 53.255 . . 1 . . . A 106 GLN CA . 17434 1 412 . 1 1 36 36 GLN CB C 13 29.112 . . 1 . . . A 106 GLN CB . 17434 1 413 . 1 1 36 36 GLN CG C 13 33.437 . . 1 . . . A 106 GLN CG . 17434 1 414 . 1 1 36 36 GLN N N 15 126.282 . . 1 . . . A 106 GLN N . 17434 1 415 . 1 1 36 36 GLN NE2 N 15 113.292 . . 1 . . . A 106 GLN NE2 . 17434 1 416 . 1 1 37 37 PRO HA H 1 4.402 . . 1 . . . A 107 PRO HA . 17434 1 417 . 1 1 37 37 PRO HB2 H 1 2.261 . . 2 . . . A 107 PRO HB2 . 17434 1 418 . 1 1 37 37 PRO HB3 H 1 1.894 . . 2 . . . A 107 PRO HB3 . 17434 1 419 . 1 1 37 37 PRO HG2 H 1 1.995 . . 2 . . . A 107 PRO HG2 . 17434 1 420 . 1 1 37 37 PRO HD2 H 1 3.743 . . 2 . . . A 107 PRO HD2 . 17434 1 421 . 1 1 37 37 PRO HD3 H 1 3.690 . . 2 . . . A 107 PRO HD3 . 17434 1 422 . 1 1 37 37 PRO C C 13 176.369 . . 1 . . . A 107 PRO C . 17434 1 423 . 1 1 37 37 PRO CA C 13 63.169 . . 1 . . . A 107 PRO CA . 17434 1 424 . 1 1 37 37 PRO CB C 13 32.302 . . 1 . . . A 107 PRO CB . 17434 1 425 . 1 1 37 37 PRO CG C 13 27.396 . . 1 . . . A 107 PRO CG . 17434 1 426 . 1 1 37 37 PRO CD C 13 50.640 . . 1 . . . A 107 PRO CD . 17434 1 427 . 1 1 38 38 ASP H H 1 8.377 . . 1 . . . A 108 ASP H . 17434 1 428 . 1 1 38 38 ASP HA H 1 4.563 . . 1 . . . A 108 ASP HA . 17434 1 429 . 1 1 38 38 ASP HB2 H 1 2.667 . . 2 . . . A 108 ASP HB2 . 17434 1 430 . 1 1 38 38 ASP HB3 H 1 2.551 . . 2 . . . A 108 ASP HB3 . 17434 1 431 . 1 1 38 38 ASP C C 13 175.815 . . 1 . . . A 108 ASP C . 17434 1 432 . 1 1 38 38 ASP CA C 13 54.211 . . 1 . . . A 108 ASP CA . 17434 1 433 . 1 1 38 38 ASP CB C 13 41.006 . . 1 . . . A 108 ASP CB . 17434 1 434 . 1 1 38 38 ASP N N 15 120.899 . . 1 . . . A 108 ASP N . 17434 1 435 . 1 1 39 39 LEU H H 1 8.067 . . 1 . . . A 109 LEU H . 17434 1 436 . 1 1 39 39 LEU HA H 1 4.586 . . 1 . . . A 109 LEU HA . 17434 1 437 . 1 1 39 39 LEU HB2 H 1 1.573 . . 2 . . . A 109 LEU HB2 . 17434 1 438 . 1 1 39 39 LEU HG H 1 1.642 . . 1 . . . A 109 LEU HG . 17434 1 439 . 1 1 39 39 LEU HD11 H 1 0.931 . . 2 . . . A 109 LEU HD11 . 17434 1 440 . 1 1 39 39 LEU HD12 H 1 0.931 . . 2 . . . A 109 LEU HD11 . 17434 1 441 . 1 1 39 39 LEU HD13 H 1 0.931 . . 2 . . . A 109 LEU HD11 . 17434 1 442 . 1 1 39 39 LEU HD21 H 1 0.896 . . 2 . . . A 109 LEU HD21 . 17434 1 443 . 1 1 39 39 LEU HD22 H 1 0.896 . . 2 . . . A 109 LEU HD21 . 17434 1 444 . 1 1 39 39 LEU HD23 H 1 0.896 . . 2 . . . A 109 LEU HD21 . 17434 1 445 . 1 1 39 39 LEU CA C 13 53.384 . . 1 . . . A 109 LEU CA . 17434 1 446 . 1 1 39 39 LEU CB C 13 41.868 . . 1 . . . A 109 LEU CB . 17434 1 447 . 1 1 39 39 LEU CG C 13 26.888 . . 1 . . . A 109 LEU CG . 17434 1 448 . 1 1 39 39 LEU CD1 C 13 25.247 . . 1 . . . A 109 LEU CD1 . 17434 1 449 . 1 1 39 39 LEU CD2 C 13 23.547 . . 1 . . . A 109 LEU CD2 . 17434 1 450 . 1 1 39 39 LEU N N 15 124.129 . . 1 . . . A 109 LEU N . 17434 1 451 . 1 1 40 40 PRO HA H 1 4.359 . . 1 . . . A 110 PRO HA . 17434 1 452 . 1 1 40 40 PRO HB2 H 1 2.286 . . 2 . . . A 110 PRO HB2 . 17434 1 453 . 1 1 40 40 PRO HB3 H 1 1.875 . . 2 . . . A 110 PRO HB3 . 17434 1 454 . 1 1 40 40 PRO HG2 H 1 1.989 . . 2 . . . A 110 PRO HG2 . 17434 1 455 . 1 1 40 40 PRO HD2 H 1 3.820 . . 2 . . . A 110 PRO HD2 . 17434 1 456 . 1 1 40 40 PRO HD3 H 1 3.635 . . 2 . . . A 110 PRO HD3 . 17434 1 457 . 1 1 40 40 PRO C C 13 176.810 . . 1 . . . A 110 PRO C . 17434 1 458 . 1 1 40 40 PRO CA C 13 63.333 . . 1 . . . A 110 PRO CA . 17434 1 459 . 1 1 40 40 PRO CB C 13 32.084 . . 1 . . . A 110 PRO CB . 17434 1 460 . 1 1 40 40 PRO CG C 13 27.340 . . 1 . . . A 110 PRO CG . 17434 1 461 . 1 1 40 40 PRO CD C 13 50.671 . . 1 . . . A 110 PRO CD . 17434 1 462 . 1 1 41 41 ALA H H 1 8.257 . . 1 . . . A 111 ALA H . 17434 1 463 . 1 1 41 41 ALA HA H 1 4.257 . . 1 . . . A 111 ALA HA . 17434 1 464 . 1 1 41 41 ALA HB1 H 1 1.362 . . 1 . . . A 111 ALA HB1 . 17434 1 465 . 1 1 41 41 ALA HB2 H 1 1.362 . . 1 . . . A 111 ALA HB1 . 17434 1 466 . 1 1 41 41 ALA HB3 H 1 1.362 . . 1 . . . A 111 ALA HB1 . 17434 1 467 . 1 1 41 41 ALA C C 13 178.116 . . 1 . . . A 111 ALA C . 17434 1 468 . 1 1 41 41 ALA CA C 13 52.716 . . 1 . . . A 111 ALA CA . 17434 1 469 . 1 1 41 41 ALA CB C 13 19.153 . . 1 . . . A 111 ALA CB . 17434 1 470 . 1 1 41 41 ALA N N 15 124.371 . . 1 . . . A 111 ALA N . 17434 1 471 . 1 1 42 42 ILE H H 1 8.036 . . 1 . . . A 112 ILE H . 17434 1 472 . 1 1 42 42 ILE HA H 1 4.082 . . 1 . . . A 112 ILE HA . 17434 1 473 . 1 1 42 42 ILE HB H 1 1.838 . . 1 . . . A 112 ILE HB . 17434 1 474 . 1 1 42 42 ILE HG12 H 1 1.459 . . 1 . . . A 112 ILE HG12 . 17434 1 475 . 1 1 42 42 ILE HG13 H 1 1.168 . . 1 . . . A 112 ILE HG13 . 17434 1 476 . 1 1 42 42 ILE HG21 H 1 0.859 . . 1 . . . A 112 ILE HG21 . 17434 1 477 . 1 1 42 42 ILE HG22 H 1 0.859 . . 1 . . . A 112 ILE HG21 . 17434 1 478 . 1 1 42 42 ILE HG23 H 1 0.859 . . 1 . . . A 112 ILE HG21 . 17434 1 479 . 1 1 42 42 ILE HD11 H 1 0.843 . . 1 . . . A 112 ILE HD11 . 17434 1 480 . 1 1 42 42 ILE HD12 H 1 0.843 . . 1 . . . A 112 ILE HD11 . 17434 1 481 . 1 1 42 42 ILE HD13 H 1 0.843 . . 1 . . . A 112 ILE HD11 . 17434 1 482 . 1 1 42 42 ILE C C 13 176.385 . . 1 . . . A 112 ILE C . 17434 1 483 . 1 1 42 42 ILE CA C 13 61.319 . . 1 . . . A 112 ILE CA . 17434 1 484 . 1 1 42 42 ILE CB C 13 38.552 . . 1 . . . A 112 ILE CB . 17434 1 485 . 1 1 42 42 ILE CG1 C 13 27.369 . . 1 . . . A 112 ILE CG1 . 17434 1 486 . 1 1 42 42 ILE CG2 C 13 17.496 . . 1 . . . A 112 ILE CG2 . 17434 1 487 . 1 1 42 42 ILE CD1 C 13 64.866 . . 1 . . . A 112 ILE CD1 . 17434 1 488 . 1 1 42 42 ILE N N 15 120.420 . . 1 . . . A 112 ILE N . 17434 1 489 . 1 1 43 43 LEU H H 1 8.207 . . 1 . . . A 113 LEU H . 17434 1 490 . 1 1 43 43 LEU HA H 1 4.315 . . 1 . . . A 113 LEU HA . 17434 1 491 . 1 1 43 43 LEU HB2 H 1 1.584 . . 2 . . . A 113 LEU HB2 . 17434 1 492 . 1 1 43 43 LEU HB3 H 1 1.497 . . 2 . . . A 113 LEU HB3 . 17434 1 493 . 1 1 43 43 LEU HG H 1 1.561 . . 1 . . . A 113 LEU HG . 17434 1 494 . 1 1 43 43 LEU HD11 H 1 0.885 . . 2 . . . A 113 LEU HD11 . 17434 1 495 . 1 1 43 43 LEU HD12 H 1 0.885 . . 2 . . . A 113 LEU HD11 . 17434 1 496 . 1 1 43 43 LEU HD13 H 1 0.885 . . 2 . . . A 113 LEU HD11 . 17434 1 497 . 1 1 43 43 LEU HD21 H 1 0.824 . . 2 . . . A 113 LEU HD21 . 17434 1 498 . 1 1 43 43 LEU HD22 H 1 0.824 . . 2 . . . A 113 LEU HD21 . 17434 1 499 . 1 1 43 43 LEU HD23 H 1 0.824 . . 2 . . . A 113 LEU HD21 . 17434 1 500 . 1 1 43 43 LEU C C 13 176.803 . . 1 . . . A 113 LEU C . 17434 1 501 . 1 1 43 43 LEU CA C 13 55.121 . . 1 . . . A 113 LEU CA . 17434 1 502 . 1 1 43 43 LEU CB C 13 42.416 . . 1 . . . A 113 LEU CB . 17434 1 503 . 1 1 43 43 LEU CG C 13 26.931 . . 1 . . . A 113 LEU CG . 17434 1 504 . 1 1 43 43 LEU CD1 C 13 24.858 . . 1 . . . A 113 LEU CD1 . 17434 1 505 . 1 1 43 43 LEU CD2 C 13 23.475 . . 1 . . . A 113 LEU CD2 . 17434 1 506 . 1 1 43 43 LEU N N 15 126.355 . . 1 . . . A 113 LEU N . 17434 1 507 . 1 1 44 44 GLU H H 1 8.189 . . 1 . . . A 114 GLU H . 17434 1 508 . 1 1 44 44 GLU HA H 1 4.179 . . 1 . . . A 114 GLU HA . 17434 1 509 . 1 1 44 44 GLU HB2 H 1 1.873 . . 2 . . . A 114 GLU HB2 . 17434 1 510 . 1 1 44 44 GLU HG2 H 1 2.193 . . 2 . . . A 114 GLU HG2 . 17434 1 511 . 1 1 44 44 GLU HG3 H 1 2.130 . . 2 . . . A 114 GLU HG3 . 17434 1 512 . 1 1 44 44 GLU CA C 13 56.545 . . 1 . . . A 114 GLU CA . 17434 1 513 . 1 1 44 44 GLU CB C 13 30.527 . . 1 . . . A 114 GLU CB . 17434 1 514 . 1 1 44 44 GLU CG C 13 36.122 . . 1 . . . A 114 GLU CG . 17434 1 515 . 1 1 44 44 GLU N N 15 122.158 . . 1 . . . A 114 GLU N . 17434 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 174 17434 1 1 175 17434 1 2 181 17434 1 2 182 17434 1 3 266 17434 1 3 267 17434 1 4 273 17434 1 4 274 17434 1 stop_ save_