data_133 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 133 _Entry.Title ; Two-dimensional 1H-NMR investigation of ribonuclease T1 (Resonance assignments, secondary and low-resolution tertiary structures of ribonuclease T1) ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date 2015-07-23 _Entry.Original_release_date 2015-07-23 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Eberhard Hoffmann . . . 133 2 Heinz Ruterjans . . . 133 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 133 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 539 133 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 4 . . 2010-06-10 . revision BMRB 'Complete natural source information' 133 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 133 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 133 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 133 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 133 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hoffmann, Eberhard, Ruterjans, Heinz, "Two-dimensional 1H-NMR investigation of ribonuclease T1 (Resonance assignments, secondary and low-resolution tertiary structures of ribonuclease T1)," Eur. J. Biochem. 177, 539-560 (1988). ; _Citation.Title ; Two-dimensional 1H-NMR investigation of ribonuclease T1 (Resonance assignments, secondary and low-resolution tertiary structures of ribonuclease T1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 177 _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 539 _Citation.Page_last 560 _Citation.Year 1988 _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 Eberhard Hoffmann . . . 133 1 2 Heinz Ruterjans . . . 133 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ribonuclease_T1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ribonuclease_T1 _Assembly.Entry_ID 133 _Assembly.ID 1 _Assembly.Name 'ribonuclease T1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 'ribonuclease T1' 1 $ribonuclease_T1 . . . . . . . . . 133 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ribonuclease T1' system 133 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ribonuclease_T1 _Entity.Sf_category entity _Entity.Sf_framecode ribonuclease_T1 _Entity.Entry_ID 133 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ribonuclease T1' _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 ; AXDYTCGSNCYSSSDVSTAQ AAGYKLHEDGETVGXXSYPH KYNXYEGFDFSVSSPYYEWP ILSSGDVYSXXXXGADRVVF NENNQLAGVITHTGASGXNF VECT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.27.3 _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ribonuclease T1' common 133 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 . ALA . 133 1 2 . X . 133 1 3 . ASP . 133 1 4 . TYR . 133 1 5 . THR . 133 1 6 . CYS . 133 1 7 . GLY . 133 1 8 . SER . 133 1 9 . ASN . 133 1 10 . CYS . 133 1 11 . TYR . 133 1 12 . SER . 133 1 13 . SER . 133 1 14 . SER . 133 1 15 . ASP . 133 1 16 . VAL . 133 1 17 . SER . 133 1 18 . THR . 133 1 19 . ALA . 133 1 20 . GLN . 133 1 21 . ALA . 133 1 22 . ALA . 133 1 23 . GLY . 133 1 24 . TYR . 133 1 25 . LYS . 133 1 26 . LEU . 133 1 27 . HIS . 133 1 28 . GLU . 133 1 29 . ASP . 133 1 30 . GLY . 133 1 31 . GLU . 133 1 32 . THR . 133 1 33 . VAL . 133 1 34 . GLY . 133 1 35 . X . 133 1 36 . X . 133 1 37 . SER . 133 1 38 . TYR . 133 1 39 . PRO . 133 1 40 . HIS . 133 1 41 . LYS . 133 1 42 . TYR . 133 1 43 . ASN . 133 1 44 . X . 133 1 45 . TYR . 133 1 46 . GLU . 133 1 47 . GLY . 133 1 48 . PHE . 133 1 49 . ASP . 133 1 50 . PHE . 133 1 51 . SER . 133 1 52 . VAL . 133 1 53 . SER . 133 1 54 . SER . 133 1 55 . PRO . 133 1 56 . TYR . 133 1 57 . TYR . 133 1 58 . GLU . 133 1 59 . TRP . 133 1 60 . PRO . 133 1 61 . ILE . 133 1 62 . LEU . 133 1 63 . SER . 133 1 64 . SER . 133 1 65 . GLY . 133 1 66 . ASP . 133 1 67 . VAL . 133 1 68 . TYR . 133 1 69 . SER . 133 1 70 . X . 133 1 71 . X . 133 1 72 . X . 133 1 73 . X . 133 1 74 . GLY . 133 1 75 . ALA . 133 1 76 . ASP . 133 1 77 . ARG . 133 1 78 . VAL . 133 1 79 . VAL . 133 1 80 . PHE . 133 1 81 . ASN . 133 1 82 . GLU . 133 1 83 . ASN . 133 1 84 . ASN . 133 1 85 . GLN . 133 1 86 . LEU . 133 1 87 . ALA . 133 1 88 . GLY . 133 1 89 . VAL . 133 1 90 . ILE . 133 1 91 . THR . 133 1 92 . HIS . 133 1 93 . THR . 133 1 94 . GLY . 133 1 95 . ALA . 133 1 96 . SER . 133 1 97 . GLY . 133 1 98 . X . 133 1 99 . ASN . 133 1 100 . PHE . 133 1 101 . VAL . 133 1 102 . GLU . 133 1 103 . CYS . 133 1 104 . THR . 133 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 1 133 1 . X 2 2 133 1 . ASP 3 3 133 1 . TYR 4 4 133 1 . THR 5 5 133 1 . CYS 6 6 133 1 . GLY 7 7 133 1 . SER 8 8 133 1 . ASN 9 9 133 1 . CYS 10 10 133 1 . TYR 11 11 133 1 . SER 12 12 133 1 . SER 13 13 133 1 . SER 14 14 133 1 . ASP 15 15 133 1 . VAL 16 16 133 1 . SER 17 17 133 1 . THR 18 18 133 1 . ALA 19 19 133 1 . GLN 20 20 133 1 . ALA 21 21 133 1 . ALA 22 22 133 1 . GLY 23 23 133 1 . TYR 24 24 133 1 . LYS 25 25 133 1 . LEU 26 26 133 1 . HIS 27 27 133 1 . GLU 28 28 133 1 . ASP 29 29 133 1 . GLY 30 30 133 1 . GLU 31 31 133 1 . THR 32 32 133 1 . VAL 33 33 133 1 . GLY 34 34 133 1 . X 35 35 133 1 . X 36 36 133 1 . SER 37 37 133 1 . TYR 38 38 133 1 . PRO 39 39 133 1 . HIS 40 40 133 1 . LYS 41 41 133 1 . TYR 42 42 133 1 . ASN 43 43 133 1 . X 44 44 133 1 . TYR 45 45 133 1 . GLU 46 46 133 1 . GLY 47 47 133 1 . PHE 48 48 133 1 . ASP 49 49 133 1 . PHE 50 50 133 1 . SER 51 51 133 1 . VAL 52 52 133 1 . SER 53 53 133 1 . SER 54 54 133 1 . PRO 55 55 133 1 . TYR 56 56 133 1 . TYR 57 57 133 1 . GLU 58 58 133 1 . TRP 59 59 133 1 . PRO 60 60 133 1 . ILE 61 61 133 1 . LEU 62 62 133 1 . SER 63 63 133 1 . SER 64 64 133 1 . GLY 65 65 133 1 . ASP 66 66 133 1 . VAL 67 67 133 1 . TYR 68 68 133 1 . SER 69 69 133 1 . X 70 70 133 1 . X 71 71 133 1 . X 72 72 133 1 . X 73 73 133 1 . GLY 74 74 133 1 . ALA 75 75 133 1 . ASP 76 76 133 1 . ARG 77 77 133 1 . VAL 78 78 133 1 . VAL 79 79 133 1 . PHE 80 80 133 1 . ASN 81 81 133 1 . GLU 82 82 133 1 . ASN 83 83 133 1 . ASN 84 84 133 1 . GLN 85 85 133 1 . LEU 86 86 133 1 . ALA 87 87 133 1 . GLY 88 88 133 1 . VAL 89 89 133 1 . ILE 90 90 133 1 . THR 91 91 133 1 . HIS 92 92 133 1 . THR 93 93 133 1 . GLY 94 94 133 1 . ALA 95 95 133 1 . SER 96 96 133 1 . GLY 97 97 133 1 . X 98 98 133 1 . ASN 99 99 133 1 . PHE 100 100 133 1 . VAL 101 101 133 1 . GLU 102 102 133 1 . CYS 103 103 133 1 . THR 104 104 133 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 133 _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 $ribonuclease_T1 . 5062 organism . 'Aspergillus oryzae' 'Aspergillus orzyae' . . Eukaryota Fungi Aspergillus oryzae generic . . . . . . . . . . . . 133 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 133 _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 $ribonuclease_T1 . 'not available' . . . . . . . . . . . . . . . . 133 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 133 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . . . . . . . . . . . . . . . . 133 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 133 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.4 . na 133 1 temperature 313 . K 133 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 133 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 133 _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 unknown unknown . 0 'spectrometer information not available' . . 133 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 133 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 133 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 133 _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 H . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 133 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 133 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 4.06 . . 1 . . . . . . . . 133 1 2 . 1 1 1 1 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 133 1 3 . 1 1 1 1 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 133 1 4 . 1 1 1 1 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 133 1 5 . 1 1 3 3 ASP H H 1 8.4 . . 1 . . . . . . . . 133 1 6 . 1 1 3 3 ASP HA H 1 4.3 . . 1 . . . . . . . . 133 1 7 . 1 1 3 3 ASP HB2 H 1 2.39 . . 2 . . . . . . . . 133 1 8 . 1 1 3 3 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 133 1 9 . 1 1 4 4 TYR H H 1 8.42 . . 1 . . . . . . . . 133 1 10 . 1 1 4 4 TYR HA H 1 4.7 . . 1 . . . . . . . . 133 1 11 . 1 1 4 4 TYR HD1 H 1 6.82 . . 1 . . . . . . . . 133 1 12 . 1 1 4 4 TYR HD2 H 1 6.82 . . 1 . . . . . . . . 133 1 13 . 1 1 4 4 TYR HE1 H 1 6.64 . . 1 . . . . . . . . 133 1 14 . 1 1 4 4 TYR HE2 H 1 6.64 . . 1 . . . . . . . . 133 1 15 . 1 1 5 5 THR H H 1 9.39 . . 1 . . . . . . . . 133 1 16 . 1 1 5 5 THR HA H 1 5.02 . . 1 . . . . . . . . 133 1 17 . 1 1 5 5 THR HB H 1 4.06 . . 1 . . . . . . . . 133 1 18 . 1 1 5 5 THR HG21 H 1 1.05 . . 1 . . . . . . . . 133 1 19 . 1 1 5 5 THR HG22 H 1 1.05 . . 1 . . . . . . . . 133 1 20 . 1 1 5 5 THR HG23 H 1 1.05 . . 1 . . . . . . . . 133 1 21 . 1 1 6 6 CYS H H 1 8.95 . . 1 . . . . . . . . 133 1 22 . 1 1 6 6 CYS HA H 1 5.18 . . 1 . . . . . . . . 133 1 23 . 1 1 6 6 CYS HB2 H 1 3.07 . . 1 . . . . . . . . 133 1 24 . 1 1 6 6 CYS HB3 H 1 3.07 . . 1 . . . . . . . . 133 1 25 . 1 1 7 7 GLY H H 1 9.33 . . 1 . . . . . . . . 133 1 26 . 1 1 7 7 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 133 1 27 . 1 1 7 7 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 133 1 28 . 1 1 8 8 SER H H 1 8.95 . . 1 . . . . . . . . 133 1 29 . 1 1 8 8 SER HA H 1 4.45 . . 1 . . . . . . . . 133 1 30 . 1 1 8 8 SER HB2 H 1 3.84 . . 2 . . . . . . . . 133 1 31 . 1 1 8 8 SER HB3 H 1 3.9 . . 2 . . . . . . . . 133 1 32 . 1 1 9 9 ASN H H 1 8.08 . . 1 . . . . . . . . 133 1 33 . 1 1 9 9 ASN HB2 H 1 2.04 . . 2 . . . . . . . . 133 1 34 . 1 1 9 9 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 133 1 35 . 1 1 10 10 CYS H H 1 8.26 . . 1 . . . . . . . . 133 1 36 . 1 1 10 10 CYS HA H 1 4.93 . . 1 . . . . . . . . 133 1 37 . 1 1 10 10 CYS HB2 H 1 2.92 . . 2 . . . . . . . . 133 1 38 . 1 1 10 10 CYS HB3 H 1 3.09 . . 2 . . . . . . . . 133 1 39 . 1 1 11 11 TYR H H 1 9.26 . . 1 . . . . . . . . 133 1 40 . 1 1 11 11 TYR HA H 1 5.32 . . 1 . . . . . . . . 133 1 41 . 1 1 11 11 TYR HB2 H 1 3.16 . . 2 . . . . . . . . 133 1 42 . 1 1 11 11 TYR HB3 H 1 2.72 . . 2 . . . . . . . . 133 1 43 . 1 1 11 11 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 133 1 44 . 1 1 11 11 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 133 1 45 . 1 1 11 11 TYR HE1 H 1 6.38 . . 1 . . . . . . . . 133 1 46 . 1 1 11 11 TYR HE2 H 1 6.38 . . 1 . . . . . . . . 133 1 47 . 1 1 12 12 SER H H 1 9.71 . . 1 . . . . . . . . 133 1 48 . 1 1 12 12 SER HA H 1 5.36 . . 1 . . . . . . . . 133 1 49 . 1 1 13 13 SER H H 1 10.36 . . 1 . . . . . . . . 133 1 50 . 1 1 13 13 SER HA H 1 4.27 . . 1 . . . . . . . . 133 1 51 . 1 1 13 13 SER HB2 H 1 4.02 . . 1 . . . . . . . . 133 1 52 . 1 1 13 13 SER HB3 H 1 4.02 . . 1 . . . . . . . . 133 1 53 . 1 1 14 14 SER H H 1 8.26 . . 1 . . . . . . . . 133 1 54 . 1 1 14 14 SER HA H 1 4.44 . . 1 . . . . . . . . 133 1 55 . 1 1 14 14 SER HB2 H 1 3.85 . . 1 . . . . . . . . 133 1 56 . 1 1 14 14 SER HB3 H 1 3.85 . . 1 . . . . . . . . 133 1 57 . 1 1 15 15 ASP H H 1 8.19 . . 1 . . . . . . . . 133 1 58 . 1 1 15 15 ASP HA H 1 4.44 . . 1 . . . . . . . . 133 1 59 . 1 1 15 15 ASP HB2 H 1 3.01 . . 2 . . . . . . . . 133 1 60 . 1 1 15 15 ASP HB3 H 1 3.41 . . 2 . . . . . . . . 133 1 61 . 1 1 16 16 VAL H H 1 7.97 . . 1 . . . . . . . . 133 1 62 . 1 1 16 16 VAL HA H 1 3.45 . . 1 . . . . . . . . 133 1 63 . 1 1 16 16 VAL HB H 1 2.16 . . 1 . . . . . . . . 133 1 64 . 1 1 16 16 VAL HG11 H 1 .67 . . 2 . . . . . . . . 133 1 65 . 1 1 16 16 VAL HG12 H 1 .67 . . 2 . . . . . . . . 133 1 66 . 1 1 16 16 VAL HG13 H 1 .67 . . 2 . . . . . . . . 133 1 67 . 1 1 16 16 VAL HG21 H 1 .72 . . 2 . . . . . . . . 133 1 68 . 1 1 16 16 VAL HG22 H 1 .72 . . 2 . . . . . . . . 133 1 69 . 1 1 16 16 VAL HG23 H 1 .72 . . 2 . . . . . . . . 133 1 70 . 1 1 17 17 SER H H 1 8.58 . . 1 . . . . . . . . 133 1 71 . 1 1 17 17 SER HA H 1 4.19 . . 1 . . . . . . . . 133 1 72 . 1 1 17 17 SER HB2 H 1 3.98 . . 1 . . . . . . . . 133 1 73 . 1 1 17 17 SER HB3 H 1 3.98 . . 1 . . . . . . . . 133 1 74 . 1 1 18 18 THR H H 1 8.39 . . 1 . . . . . . . . 133 1 75 . 1 1 18 18 THR HA H 1 3.96 . . 1 . . . . . . . . 133 1 76 . 1 1 18 18 THR HB H 1 4.29 . . 1 . . . . . . . . 133 1 77 . 1 1 18 18 THR HG21 H 1 1.26 . . 1 . . . . . . . . 133 1 78 . 1 1 18 18 THR HG22 H 1 1.26 . . 1 . . . . . . . . 133 1 79 . 1 1 18 18 THR HG23 H 1 1.26 . . 1 . . . . . . . . 133 1 80 . 1 1 19 19 ALA H H 1 7.68 . . 1 . . . . . . . . 133 1 81 . 1 1 19 19 ALA HA H 1 4.36 . . 1 . . . . . . . . 133 1 82 . 1 1 19 19 ALA HB1 H 1 1.69 . . 1 . . . . . . . . 133 1 83 . 1 1 19 19 ALA HB2 H 1 1.69 . . 1 . . . . . . . . 133 1 84 . 1 1 19 19 ALA HB3 H 1 1.69 . . 1 . . . . . . . . 133 1 85 . 1 1 20 20 GLN H H 1 9.09 . . 1 . . . . . . . . 133 1 86 . 1 1 20 20 GLN HA H 1 3.41 . . 1 . . . . . . . . 133 1 87 . 1 1 20 20 GLN HB2 H 1 1.94 . . 1 . . . . . . . . 133 1 88 . 1 1 20 20 GLN HB3 H 1 1.94 . . 1 . . . . . . . . 133 1 89 . 1 1 20 20 GLN HG2 H 1 2.06 . . 2 . . . . . . . . 133 1 90 . 1 1 20 20 GLN HG3 H 1 2.17 . . 2 . . . . . . . . 133 1 91 . 1 1 21 21 ALA H H 1 8.01 . . 1 . . . . . . . . 133 1 92 . 1 1 21 21 ALA HA H 1 3.88 . . 1 . . . . . . . . 133 1 93 . 1 1 21 21 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 133 1 94 . 1 1 21 21 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 133 1 95 . 1 1 21 21 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 133 1 96 . 1 1 22 22 ALA H H 1 7.15 . . 1 . . . . . . . . 133 1 97 . 1 1 22 22 ALA HA H 1 4.02 . . 1 . . . . . . . . 133 1 98 . 1 1 22 22 ALA HB1 H 1 1.6 . . 1 . . . . . . . . 133 1 99 . 1 1 22 22 ALA HB2 H 1 1.6 . . 1 . . . . . . . . 133 1 100 . 1 1 22 22 ALA HB3 H 1 1.6 . . 1 . . . . . . . . 133 1 101 . 1 1 23 23 GLY H H 1 7.34 . . 1 . . . . . . . . 133 1 102 . 1 1 23 23 GLY HA2 H 1 1.96 . . 1 . . . . . . . . 133 1 103 . 1 1 23 23 GLY HA3 H 1 1.96 . . 1 . . . . . . . . 133 1 104 . 1 1 24 24 TYR H H 1 8.55 . . 1 . . . . . . . . 133 1 105 . 1 1 24 24 TYR HA H 1 3.34 . . 1 . . . . . . . . 133 1 106 . 1 1 24 24 TYR HB2 H 1 1.97 . . 2 . . . . . . . . 133 1 107 . 1 1 24 24 TYR HB3 H 1 2.27 . . 2 . . . . . . . . 133 1 108 . 1 1 24 24 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 133 1 109 . 1 1 24 24 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 133 1 110 . 1 1 24 24 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 133 1 111 . 1 1 24 24 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 133 1 112 . 1 1 25 25 LYS H H 1 7.37 . . 1 . . . . . . . . 133 1 113 . 1 1 25 25 LYS HA H 1 3.81 . . 1 . . . . . . . . 133 1 114 . 1 1 25 25 LYS HB2 H 1 1.78 . . 1 . . . . . . . . 133 1 115 . 1 1 25 25 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 133 1 116 . 1 1 25 25 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 133 1 117 . 1 1 25 25 LYS HG3 H 1 1.34 . . 1 . . . . . . . . 133 1 118 . 1 1 26 26 LEU H H 1 6.79 . . 1 . . . . . . . . 133 1 119 . 1 1 26 26 LEU HA H 1 3.94 . . 1 . . . . . . . . 133 1 120 . 1 1 26 26 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 133 1 121 . 1 1 26 26 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 133 1 122 . 1 1 26 26 LEU HG H 1 1.59 . . 1 . . . . . . . . 133 1 123 . 1 1 26 26 LEU HD11 H 1 .85 . . 2 . . . . . . . . 133 1 124 . 1 1 26 26 LEU HD12 H 1 .85 . . 2 . . . . . . . . 133 1 125 . 1 1 26 26 LEU HD13 H 1 .85 . . 2 . . . . . . . . 133 1 126 . 1 1 26 26 LEU HD21 H 1 .89 . . 2 . . . . . . . . 133 1 127 . 1 1 26 26 LEU HD22 H 1 .89 . . 2 . . . . . . . . 133 1 128 . 1 1 26 26 LEU HD23 H 1 .89 . . 2 . . . . . . . . 133 1 129 . 1 1 27 27 HIS H H 1 7.7 . . 1 . . . . . . . . 133 1 130 . 1 1 27 27 HIS HA H 1 4.33 . . 1 . . . . . . . . 133 1 131 . 1 1 27 27 HIS HB2 H 1 2.68 . . 2 . . . . . . . . 133 1 132 . 1 1 27 27 HIS HB3 H 1 3.24 . . 2 . . . . . . . . 133 1 133 . 1 1 27 27 HIS HD2 H 1 6.57 . . 1 . . . . . . . . 133 1 134 . 1 1 27 27 HIS HE1 H 1 8.21 . . 1 . . . . . . . . 133 1 135 . 1 1 28 28 GLU H H 1 8.52 . . 1 . . . . . . . . 133 1 136 . 1 1 28 28 GLU HA H 1 3.52 . . 1 . . . . . . . . 133 1 137 . 1 1 28 28 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 133 1 138 . 1 1 28 28 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 133 1 139 . 1 1 28 28 GLU HG2 H 1 1.99 . . 1 . . . . . . . . 133 1 140 . 1 1 28 28 GLU HG3 H 1 1.99 . . 1 . . . . . . . . 133 1 141 . 1 1 29 29 ASP H H 1 7.77 . . 1 . . . . . . . . 133 1 142 . 1 1 29 29 ASP HA H 1 4.58 . . 1 . . . . . . . . 133 1 143 . 1 1 29 29 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 133 1 144 . 1 1 29 29 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 133 1 145 . 1 1 30 30 GLY H H 1 7.72 . . 1 . . . . . . . . 133 1 146 . 1 1 30 30 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 133 1 147 . 1 1 30 30 GLY HA3 H 1 3.9 . . 2 . . . . . . . . 133 1 148 . 1 1 31 31 GLU H H 1 8.04 . . 1 . . . . . . . . 133 1 149 . 1 1 31 31 GLU HA H 1 4.71 . . 1 . . . . . . . . 133 1 150 . 1 1 31 31 GLU HB2 H 1 1.78 . . 1 . . . . . . . . 133 1 151 . 1 1 31 31 GLU HB3 H 1 1.78 . . 1 . . . . . . . . 133 1 152 . 1 1 31 31 GLU HG2 H 1 2.09 . . 1 . . . . . . . . 133 1 153 . 1 1 31 31 GLU HG3 H 1 2.09 . . 1 . . . . . . . . 133 1 154 . 1 1 32 32 THR H H 1 8.06 . . 1 . . . . . . . . 133 1 155 . 1 1 32 32 THR HA H 1 5.34 . . 1 . . . . . . . . 133 1 156 . 1 1 32 32 THR HB H 1 3.97 . . 1 . . . . . . . . 133 1 157 . 1 1 32 32 THR HG21 H 1 1.12 . . 1 . . . . . . . . 133 1 158 . 1 1 32 32 THR HG22 H 1 1.12 . . 1 . . . . . . . . 133 1 159 . 1 1 32 32 THR HG23 H 1 1.12 . . 1 . . . . . . . . 133 1 160 . 1 1 33 33 VAL H H 1 9.74 . . 1 . . . . . . . . 133 1 161 . 1 1 33 33 VAL HA H 1 4.84 . . 1 . . . . . . . . 133 1 162 . 1 1 33 33 VAL HB H 1 2.07 . . 1 . . . . . . . . 133 1 163 . 1 1 33 33 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 133 1 164 . 1 1 33 33 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 133 1 165 . 1 1 33 33 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 133 1 166 . 1 1 33 33 VAL HG21 H 1 1.11 . . 2 . . . . . . . . 133 1 167 . 1 1 33 33 VAL HG22 H 1 1.11 . . 2 . . . . . . . . 133 1 168 . 1 1 33 33 VAL HG23 H 1 1.11 . . 2 . . . . . . . . 133 1 169 . 1 1 34 34 GLY H H 1 8.65 . . 1 . . . . . . . . 133 1 170 . 1 1 34 34 GLY HA2 H 1 4.21 . . 2 . . . . . . . . 133 1 171 . 1 1 34 34 GLY HA3 H 1 4.93 . . 2 . . . . . . . . 133 1 172 . 1 1 37 37 SER H H 1 7.76 . . 1 . . . . . . . . 133 1 173 . 1 1 37 37 SER HA H 1 3.7 . . 1 . . . . . . . . 133 1 174 . 1 1 37 37 SER HB2 H 1 3.97 . . 1 . . . . . . . . 133 1 175 . 1 1 37 37 SER HB3 H 1 3.97 . . 1 . . . . . . . . 133 1 176 . 1 1 38 38 TYR H H 1 8.81 . . 1 . . . . . . . . 133 1 177 . 1 1 38 38 TYR HA H 1 4.8 . . 1 . . . . . . . . 133 1 178 . 1 1 38 38 TYR HB2 H 1 2.93 . . 2 . . . . . . . . 133 1 179 . 1 1 38 38 TYR HB3 H 1 3.42 . . 2 . . . . . . . . 133 1 180 . 1 1 38 38 TYR HD1 H 1 7.1 . . 1 . . . . . . . . 133 1 181 . 1 1 38 38 TYR HD2 H 1 7.1 . . 1 . . . . . . . . 133 1 182 . 1 1 38 38 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 133 1 183 . 1 1 38 38 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 133 1 184 . 1 1 39 39 PRO HA H 1 5.64 . . 1 . . . . . . . . 133 1 185 . 1 1 39 39 PRO HB2 H 1 2.7 . . 1 . . . . . . . . 133 1 186 . 1 1 39 39 PRO HB3 H 1 2.7 . . 1 . . . . . . . . 133 1 187 . 1 1 39 39 PRO HG2 H 1 2.23 . . 1 . . . . . . . . 133 1 188 . 1 1 39 39 PRO HG3 H 1 2.23 . . 1 . . . . . . . . 133 1 189 . 1 1 39 39 PRO HD2 H 1 4.18 . . 1 . . . . . . . . 133 1 190 . 1 1 39 39 PRO HD3 H 1 4.18 . . 1 . . . . . . . . 133 1 191 . 1 1 40 40 HIS H H 1 8.1 . . 1 . . . . . . . . 133 1 192 . 1 1 40 40 HIS HA H 1 5.36 . . 1 . . . . . . . . 133 1 193 . 1 1 40 40 HIS HB2 H 1 3.46 . . 2 . . . . . . . . 133 1 194 . 1 1 40 40 HIS HB3 H 1 3.8 . . 2 . . . . . . . . 133 1 195 . 1 1 40 40 HIS HD2 H 1 7.49 . . 1 . . . . . . . . 133 1 196 . 1 1 40 40 HIS HE1 H 1 8.17 . . 1 . . . . . . . . 133 1 197 . 1 1 41 41 LYS H H 1 9.23 . . 1 . . . . . . . . 133 1 198 . 1 1 41 41 LYS HA H 1 4.23 . . 1 . . . . . . . . 133 1 199 . 1 1 41 41 LYS HB2 H 1 1.75 . . 1 . . . . . . . . 133 1 200 . 1 1 41 41 LYS HB3 H 1 1.75 . . 1 . . . . . . . . 133 1 201 . 1 1 42 42 TYR H H 1 8.77 . . 1 . . . . . . . . 133 1 202 . 1 1 42 42 TYR HA H 1 5 . . 1 . . . . . . . . 133 1 203 . 1 1 42 42 TYR HB2 H 1 2.4 . . 2 . . . . . . . . 133 1 204 . 1 1 42 42 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 133 1 205 . 1 1 42 42 TYR HD1 H 1 6.99 . . 1 . . . . . . . . 133 1 206 . 1 1 42 42 TYR HD2 H 1 6.99 . . 1 . . . . . . . . 133 1 207 . 1 1 42 42 TYR HE1 H 1 6.82 . . 1 . . . . . . . . 133 1 208 . 1 1 42 42 TYR HE2 H 1 6.82 . . 1 . . . . . . . . 133 1 209 . 1 1 43 43 ASN H H 1 8.55 . . 1 . . . . . . . . 133 1 210 . 1 1 43 43 ASN HA H 1 4.24 . . 1 . . . . . . . . 133 1 211 . 1 1 43 43 ASN HB2 H 1 1.79 . . 2 . . . . . . . . 133 1 212 . 1 1 43 43 ASN HB3 H 1 1.97 . . 2 . . . . . . . . 133 1 213 . 1 1 45 45 TYR H H 1 8.57 . . 1 . . . . . . . . 133 1 214 . 1 1 45 45 TYR HA H 1 4.27 . . 1 . . . . . . . . 133 1 215 . 1 1 45 45 TYR HB2 H 1 3.02 . . 2 . . . . . . . . 133 1 216 . 1 1 45 45 TYR HB3 H 1 2.85 . . 2 . . . . . . . . 133 1 217 . 1 1 45 45 TYR HD1 H 1 7.14 . . 1 . . . . . . . . 133 1 218 . 1 1 45 45 TYR HD2 H 1 7.14 . . 1 . . . . . . . . 133 1 219 . 1 1 45 45 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 133 1 220 . 1 1 45 45 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 133 1 221 . 1 1 46 46 GLU H H 1 8.97 . . 1 . . . . . . . . 133 1 222 . 1 1 46 46 GLU HA H 1 3.64 . . 1 . . . . . . . . 133 1 223 . 1 1 46 46 GLU HB2 H 1 1.16 . . 1 . . . . . . . . 133 1 224 . 1 1 46 46 GLU HB3 H 1 1.16 . . 1 . . . . . . . . 133 1 225 . 1 1 46 46 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 133 1 226 . 1 1 46 46 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 133 1 227 . 1 1 47 47 GLY H H 1 7.31 . . 1 . . . . . . . . 133 1 228 . 1 1 47 47 GLY HA2 H 1 3.6 . . 2 . . . . . . . . 133 1 229 . 1 1 47 47 GLY HA3 H 1 3.47 . . 2 . . . . . . . . 133 1 230 . 1 1 48 48 PHE H H 1 8.42 . . 1 . . . . . . . . 133 1 231 . 1 1 48 48 PHE HA H 1 4.29 . . 1 . . . . . . . . 133 1 232 . 1 1 48 48 PHE HB2 H 1 2.76 . . 1 . . . . . . . . 133 1 233 . 1 1 48 48 PHE HB3 H 1 2.76 . . 1 . . . . . . . . 133 1 234 . 1 1 48 48 PHE HD1 H 1 7.15 . . 1 . . . . . . . . 133 1 235 . 1 1 48 48 PHE HD2 H 1 7.15 . . 1 . . . . . . . . 133 1 236 . 1 1 48 48 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 133 1 237 . 1 1 48 48 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 133 1 238 . 1 1 48 48 PHE HZ H 1 6.92 . . 1 . . . . . . . . 133 1 239 . 1 1 49 49 ASP H H 1 8.77 . . 1 . . . . . . . . 133 1 240 . 1 1 49 49 ASP HA H 1 4.72 . . 1 . . . . . . . . 133 1 241 . 1 1 49 49 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 133 1 242 . 1 1 49 49 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 133 1 243 . 1 1 50 50 PHE H H 1 7.67 . . 1 . . . . . . . . 133 1 244 . 1 1 50 50 PHE HA H 1 5.09 . . 1 . . . . . . . . 133 1 245 . 1 1 50 50 PHE HB2 H 1 3.05 . . 1 . . . . . . . . 133 1 246 . 1 1 50 50 PHE HB3 H 1 3.05 . . 1 . . . . . . . . 133 1 247 . 1 1 50 50 PHE HD1 H 1 6.7 . . 1 . . . . . . . . 133 1 248 . 1 1 50 50 PHE HD2 H 1 6.7 . . 1 . . . . . . . . 133 1 249 . 1 1 50 50 PHE HE1 H 1 6.61 . . 1 . . . . . . . . 133 1 250 . 1 1 50 50 PHE HE2 H 1 6.61 . . 1 . . . . . . . . 133 1 251 . 1 1 50 50 PHE HZ H 1 6.52 . . 1 . . . . . . . . 133 1 252 . 1 1 51 51 SER H H 1 9.24 . . 1 . . . . . . . . 133 1 253 . 1 1 51 51 SER HA H 1 4.52 . . 1 . . . . . . . . 133 1 254 . 1 1 51 51 SER HB2 H 1 4.08 . . 2 . . . . . . . . 133 1 255 . 1 1 51 51 SER HB3 H 1 3.99 . . 2 . . . . . . . . 133 1 256 . 1 1 52 52 VAL H H 1 6.98 . . 1 . . . . . . . . 133 1 257 . 1 1 52 52 VAL HA H 1 4.73 . . 1 . . . . . . . . 133 1 258 . 1 1 52 52 VAL HB H 1 2.17 . . 1 . . . . . . . . 133 1 259 . 1 1 52 52 VAL HG11 H 1 .86 . . 2 . . . . . . . . 133 1 260 . 1 1 52 52 VAL HG12 H 1 .86 . . 2 . . . . . . . . 133 1 261 . 1 1 52 52 VAL HG13 H 1 .86 . . 2 . . . . . . . . 133 1 262 . 1 1 52 52 VAL HG21 H 1 .68 . . 2 . . . . . . . . 133 1 263 . 1 1 52 52 VAL HG22 H 1 .68 . . 2 . . . . . . . . 133 1 264 . 1 1 52 52 VAL HG23 H 1 .68 . . 2 . . . . . . . . 133 1 265 . 1 1 53 53 SER H H 1 8.92 . . 1 . . . . . . . . 133 1 266 . 1 1 53 53 SER HA H 1 4.42 . . 1 . . . . . . . . 133 1 267 . 1 1 53 53 SER HB2 H 1 4.01 . . 2 . . . . . . . . 133 1 268 . 1 1 53 53 SER HB3 H 1 3.94 . . 2 . . . . . . . . 133 1 269 . 1 1 54 54 SER H H 1 7.98 . . 1 . . . . . . . . 133 1 270 . 1 1 54 54 SER HA H 1 2.96 . . 1 . . . . . . . . 133 1 271 . 1 1 54 54 SER HB2 H 1 3.64 . . 2 . . . . . . . . 133 1 272 . 1 1 54 54 SER HB3 H 1 3.28 . . 2 . . . . . . . . 133 1 273 . 1 1 55 55 PRO HA H 1 4.17 . . 1 . . . . . . . . 133 1 274 . 1 1 55 55 PRO HB2 H 1 1.84 . . 1 . . . . . . . . 133 1 275 . 1 1 55 55 PRO HB3 H 1 1.84 . . 1 . . . . . . . . 133 1 276 . 1 1 55 55 PRO HG2 H 1 2.23 . . 1 . . . . . . . . 133 1 277 . 1 1 55 55 PRO HG3 H 1 2.23 . . 1 . . . . . . . . 133 1 278 . 1 1 56 56 TYR H H 1 8.09 . . 1 . . . . . . . . 133 1 279 . 1 1 56 56 TYR HA H 1 5.1 . . 1 . . . . . . . . 133 1 280 . 1 1 56 56 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 133 1 281 . 1 1 56 56 TYR HB3 H 1 2.86 . . 2 . . . . . . . . 133 1 282 . 1 1 56 56 TYR HD1 H 1 6.73 . . 1 . . . . . . . . 133 1 283 . 1 1 56 56 TYR HD2 H 1 6.73 . . 1 . . . . . . . . 133 1 284 . 1 1 56 56 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 133 1 285 . 1 1 56 56 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 133 1 286 . 1 1 57 57 TYR H H 1 8.85 . . 1 . . . . . . . . 133 1 287 . 1 1 57 57 TYR HA H 1 4.7 . . 1 . . . . . . . . 133 1 288 . 1 1 57 57 TYR HD1 H 1 6.46 . . 1 . . . . . . . . 133 1 289 . 1 1 57 57 TYR HD2 H 1 6.46 . . 1 . . . . . . . . 133 1 290 . 1 1 57 57 TYR HE1 H 1 6.46 . . 1 . . . . . . . . 133 1 291 . 1 1 57 57 TYR HE2 H 1 6.46 . . 1 . . . . . . . . 133 1 292 . 1 1 58 58 GLU H H 1 8.88 . . 1 . . . . . . . . 133 1 293 . 1 1 58 58 GLU HA H 1 5.05 . . 1 . . . . . . . . 133 1 294 . 1 1 59 59 TRP H H 1 8.48 . . 1 . . . . . . . . 133 1 295 . 1 1 59 59 TRP HA H 1 5.32 . . 1 . . . . . . . . 133 1 296 . 1 1 59 59 TRP HB2 H 1 3.38 . . 2 . . . . . . . . 133 1 297 . 1 1 59 59 TRP HB3 H 1 3.13 . . 2 . . . . . . . . 133 1 298 . 1 1 59 59 TRP HD1 H 1 6.6 . . 1 . . . . . . . . 133 1 299 . 1 1 59 59 TRP HE1 H 1 9.15 . . 1 . . . . . . . . 133 1 300 . 1 1 59 59 TRP HE3 H 1 7.49 . . 1 . . . . . . . . 133 1 301 . 1 1 59 59 TRP HZ2 H 1 7.66 . . 1 . . . . . . . . 133 1 302 . 1 1 59 59 TRP HZ3 H 1 7.17 . . 1 . . . . . . . . 133 1 303 . 1 1 59 59 TRP HH2 H 1 7.27 . . 1 . . . . . . . . 133 1 304 . 1 1 60 60 PRO HA H 1 4.24 . . 1 . . . . . . . . 133 1 305 . 1 1 60 60 PRO HB2 H 1 1.94 . . 2 . . . . . . . . 133 1 306 . 1 1 60 60 PRO HB3 H 1 .44 . . 2 . . . . . . . . 133 1 307 . 1 1 60 60 PRO HG2 H 1 .38 . . 2 . . . . . . . . 133 1 308 . 1 1 60 60 PRO HG3 H 1 .86 . . 2 . . . . . . . . 133 1 309 . 1 1 60 60 PRO HD2 H 1 2.52 . . 2 . . . . . . . . 133 1 310 . 1 1 60 60 PRO HD3 H 1 1.22 . . 2 . . . . . . . . 133 1 311 . 1 1 61 61 ILE H H 1 7.18 . . 1 . . . . . . . . 133 1 312 . 1 1 61 61 ILE HA H 1 4.27 . . 1 . . . . . . . . 133 1 313 . 1 1 61 61 ILE HB H 1 1.15 . . 1 . . . . . . . . 133 1 314 . 1 1 61 61 ILE HG12 H 1 1.24 . . 2 . . . . . . . . 133 1 315 . 1 1 61 61 ILE HG13 H 1 .5 . . 2 . . . . . . . . 133 1 316 . 1 1 61 61 ILE HG21 H 1 .25 . . 1 . . . . . . . . 133 1 317 . 1 1 61 61 ILE HG22 H 1 .25 . . 1 . . . . . . . . 133 1 318 . 1 1 61 61 ILE HG23 H 1 .25 . . 1 . . . . . . . . 133 1 319 . 1 1 61 61 ILE HD11 H 1 .03 . . 1 . . . . . . . . 133 1 320 . 1 1 61 61 ILE HD12 H 1 .03 . . 1 . . . . . . . . 133 1 321 . 1 1 61 61 ILE HD13 H 1 .03 . . 1 . . . . . . . . 133 1 322 . 1 1 62 62 LEU H H 1 8.23 . . 1 . . . . . . . . 133 1 323 . 1 1 62 62 LEU HA H 1 4.85 . . 1 . . . . . . . . 133 1 324 . 1 1 62 62 LEU HB2 H 1 2.22 . . 1 . . . . . . . . 133 1 325 . 1 1 62 62 LEU HB3 H 1 2.22 . . 1 . . . . . . . . 133 1 326 . 1 1 62 62 LEU HG H 1 1.46 . . 1 . . . . . . . . 133 1 327 . 1 1 62 62 LEU HD11 H 1 .88 . . 2 . . . . . . . . 133 1 328 . 1 1 62 62 LEU HD12 H 1 .88 . . 2 . . . . . . . . 133 1 329 . 1 1 62 62 LEU HD13 H 1 .88 . . 2 . . . . . . . . 133 1 330 . 1 1 62 62 LEU HD21 H 1 .79 . . 2 . . . . . . . . 133 1 331 . 1 1 62 62 LEU HD22 H 1 .79 . . 2 . . . . . . . . 133 1 332 . 1 1 62 62 LEU HD23 H 1 .79 . . 2 . . . . . . . . 133 1 333 . 1 1 63 63 SER H H 1 9 . . 1 . . . . . . . . 133 1 334 . 1 1 63 63 SER HA H 1 4.33 . . 1 . . . . . . . . 133 1 335 . 1 1 63 63 SER HB2 H 1 3.95 . . 2 . . . . . . . . 133 1 336 . 1 1 63 63 SER HB3 H 1 3.87 . . 2 . . . . . . . . 133 1 337 . 1 1 64 64 SER H H 1 7.7 . . 1 . . . . . . . . 133 1 338 . 1 1 64 64 SER HA H 1 4.33 . . 1 . . . . . . . . 133 1 339 . 1 1 64 64 SER HB2 H 1 4.1 . . 1 . . . . . . . . 133 1 340 . 1 1 64 64 SER HB3 H 1 4.1 . . 1 . . . . . . . . 133 1 341 . 1 1 65 65 GLY H H 1 7.95 . . 1 . . . . . . . . 133 1 342 . 1 1 65 65 GLY HA2 H 1 4.41 . . 2 . . . . . . . . 133 1 343 . 1 1 65 65 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 133 1 344 . 1 1 66 66 ASP H H 1 7.55 . . 1 . . . . . . . . 133 1 345 . 1 1 66 66 ASP HA H 1 4.67 . . 1 . . . . . . . . 133 1 346 . 1 1 66 66 ASP HB2 H 1 2.6 . . 2 . . . . . . . . 133 1 347 . 1 1 66 66 ASP HB3 H 1 2.31 . . 2 . . . . . . . . 133 1 348 . 1 1 67 67 VAL H H 1 8.52 . . 1 . . . . . . . . 133 1 349 . 1 1 67 67 VAL HA H 1 4 . . 1 . . . . . . . . 133 1 350 . 1 1 67 67 VAL HB H 1 2 . . 1 . . . . . . . . 133 1 351 . 1 1 67 67 VAL HG11 H 1 1.19 . . 2 . . . . . . . . 133 1 352 . 1 1 67 67 VAL HG12 H 1 1.19 . . 2 . . . . . . . . 133 1 353 . 1 1 67 67 VAL HG13 H 1 1.19 . . 2 . . . . . . . . 133 1 354 . 1 1 67 67 VAL HG21 H 1 1.03 . . 2 . . . . . . . . 133 1 355 . 1 1 67 67 VAL HG22 H 1 1.03 . . 2 . . . . . . . . 133 1 356 . 1 1 67 67 VAL HG23 H 1 1.03 . . 2 . . . . . . . . 133 1 357 . 1 1 68 68 TYR H H 1 9.24 . . 1 . . . . . . . . 133 1 358 . 1 1 68 68 TYR HA H 1 3.99 . . 1 . . . . . . . . 133 1 359 . 1 1 68 68 TYR HB2 H 1 2.26 . . 1 . . . . . . . . 133 1 360 . 1 1 68 68 TYR HB3 H 1 2.26 . . 1 . . . . . . . . 133 1 361 . 1 1 69 69 SER H H 1 8.2 . . 1 . . . . . . . . 133 1 362 . 1 1 69 69 SER HA H 1 4.44 . . 1 . . . . . . . . 133 1 363 . 1 1 69 69 SER HB2 H 1 3.98 . . 2 . . . . . . . . 133 1 364 . 1 1 69 69 SER HB3 H 1 3.62 . . 2 . . . . . . . . 133 1 365 . 1 1 74 74 GLY H H 1 7.76 . . 1 . . . . . . . . 133 1 366 . 1 1 74 74 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 133 1 367 . 1 1 74 74 GLY HA3 H 1 3.85 . . 2 . . . . . . . . 133 1 368 . 1 1 75 75 ALA H H 1 8.65 . . 1 . . . . . . . . 133 1 369 . 1 1 75 75 ALA HA H 1 4.55 . . 1 . . . . . . . . 133 1 370 . 1 1 75 75 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 133 1 371 . 1 1 75 75 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 133 1 372 . 1 1 75 75 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 133 1 373 . 1 1 76 76 ASP H H 1 8.77 . . 1 . . . . . . . . 133 1 374 . 1 1 76 76 ASP HA H 1 5.47 . . 1 . . . . . . . . 133 1 375 . 1 1 76 76 ASP HB2 H 1 3.02 . . 2 . . . . . . . . 133 1 376 . 1 1 76 76 ASP HB3 H 1 2.6 . . 2 . . . . . . . . 133 1 377 . 1 1 77 77 ARG H H 1 9.56 . . 1 . . . . . . . . 133 1 378 . 1 1 77 77 ARG HA H 1 4.91 . . 1 . . . . . . . . 133 1 379 . 1 1 78 78 VAL H H 1 9.02 . . 1 . . . . . . . . 133 1 380 . 1 1 78 78 VAL HA H 1 4.44 . . 1 . . . . . . . . 133 1 381 . 1 1 78 78 VAL HB H 1 1.91 . . 1 . . . . . . . . 133 1 382 . 1 1 78 78 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 133 1 383 . 1 1 78 78 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 133 1 384 . 1 1 78 78 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 133 1 385 . 1 1 78 78 VAL HG21 H 1 .99 . . 2 . . . . . . . . 133 1 386 . 1 1 78 78 VAL HG22 H 1 .99 . . 2 . . . . . . . . 133 1 387 . 1 1 78 78 VAL HG23 H 1 .99 . . 2 . . . . . . . . 133 1 388 . 1 1 79 79 VAL H H 1 8.25 . . 1 . . . . . . . . 133 1 389 . 1 1 79 79 VAL HA H 1 5.17 . . 1 . . . . . . . . 133 1 390 . 1 1 79 79 VAL HB H 1 1.19 . . 1 . . . . . . . . 133 1 391 . 1 1 79 79 VAL HG11 H 1 .34 . . 2 . . . . . . . . 133 1 392 . 1 1 79 79 VAL HG12 H 1 .34 . . 2 . . . . . . . . 133 1 393 . 1 1 79 79 VAL HG13 H 1 .34 . . 2 . . . . . . . . 133 1 394 . 1 1 79 79 VAL HG21 H 1 .01 . . 2 . . . . . . . . 133 1 395 . 1 1 79 79 VAL HG22 H 1 .01 . . 2 . . . . . . . . 133 1 396 . 1 1 79 79 VAL HG23 H 1 .01 . . 2 . . . . . . . . 133 1 397 . 1 1 80 80 PHE H H 1 8.21 . . 1 . . . . . . . . 133 1 398 . 1 1 80 80 PHE HA H 1 5.72 . . 1 . . . . . . . . 133 1 399 . 1 1 80 80 PHE HB2 H 1 3.16 . . 2 . . . . . . . . 133 1 400 . 1 1 80 80 PHE HB3 H 1 2.59 . . 2 . . . . . . . . 133 1 401 . 1 1 80 80 PHE HD1 H 1 7.4 . . 1 . . . . . . . . 133 1 402 . 1 1 80 80 PHE HD2 H 1 7.4 . . 1 . . . . . . . . 133 1 403 . 1 1 80 80 PHE HE1 H 1 6.77 . . 1 . . . . . . . . 133 1 404 . 1 1 80 80 PHE HE2 H 1 6.77 . . 1 . . . . . . . . 133 1 405 . 1 1 80 80 PHE HZ H 1 6.5 . . 1 . . . . . . . . 133 1 406 . 1 1 81 81 ASN H H 1 8.59 . . 1 . . . . . . . . 133 1 407 . 1 1 81 81 ASN HA H 1 6.13 . . 1 . . . . . . . . 133 1 408 . 1 1 81 81 ASN HB2 H 1 4.25 . . 2 . . . . . . . . 133 1 409 . 1 1 81 81 ASN HB3 H 1 2.63 . . 2 . . . . . . . . 133 1 410 . 1 1 82 82 GLU H H 1 7.69 . . 1 . . . . . . . . 133 1 411 . 1 1 82 82 GLU HA H 1 4.22 . . 1 . . . . . . . . 133 1 412 . 1 1 82 82 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 133 1 413 . 1 1 82 82 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 133 1 414 . 1 1 82 82 GLU HG2 H 1 2.48 . . 2 . . . . . . . . 133 1 415 . 1 1 82 82 GLU HG3 H 1 2.55 . . 2 . . . . . . . . 133 1 416 . 1 1 83 83 ASN H H 1 7.36 . . 1 . . . . . . . . 133 1 417 . 1 1 83 83 ASN HA H 1 4.98 . . 1 . . . . . . . . 133 1 418 . 1 1 83 83 ASN HB2 H 1 3.06 . . 2 . . . . . . . . 133 1 419 . 1 1 83 83 ASN HB3 H 1 2.51 . . 2 . . . . . . . . 133 1 420 . 1 1 84 84 ASN H H 1 8.24 . . 1 . . . . . . . . 133 1 421 . 1 1 84 84 ASN HA H 1 3.78 . . 1 . . . . . . . . 133 1 422 . 1 1 84 84 ASN HB2 H 1 2.67 . . 2 . . . . . . . . 133 1 423 . 1 1 84 84 ASN HB3 H 1 .26 . . 2 . . . . . . . . 133 1 424 . 1 1 85 85 GLN H H 1 7.95 . . 1 . . . . . . . . 133 1 425 . 1 1 85 85 GLN HA H 1 4.42 . . 1 . . . . . . . . 133 1 426 . 1 1 85 85 GLN HB2 H 1 1.86 . . 1 . . . . . . . . 133 1 427 . 1 1 85 85 GLN HB3 H 1 1.86 . . 1 . . . . . . . . 133 1 428 . 1 1 85 85 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 133 1 429 . 1 1 85 85 GLN HG3 H 1 2.09 . . 2 . . . . . . . . 133 1 430 . 1 1 86 86 LEU H H 1 8.42 . . 1 . . . . . . . . 133 1 431 . 1 1 86 86 LEU HA H 1 4 . . 1 . . . . . . . . 133 1 432 . 1 1 86 86 LEU HB2 H 1 1.64 . . 1 . . . . . . . . 133 1 433 . 1 1 86 86 LEU HB3 H 1 1.64 . . 1 . . . . . . . . 133 1 434 . 1 1 86 86 LEU HG H 1 1.03 . . 1 . . . . . . . . 133 1 435 . 1 1 86 86 LEU HD11 H 1 .76 . . 2 . . . . . . . . 133 1 436 . 1 1 86 86 LEU HD12 H 1 .76 . . 2 . . . . . . . . 133 1 437 . 1 1 86 86 LEU HD13 H 1 .76 . . 2 . . . . . . . . 133 1 438 . 1 1 86 86 LEU HD21 H 1 .66 . . 2 . . . . . . . . 133 1 439 . 1 1 86 86 LEU HD22 H 1 .66 . . 2 . . . . . . . . 133 1 440 . 1 1 86 86 LEU HD23 H 1 .66 . . 2 . . . . . . . . 133 1 441 . 1 1 87 87 ALA H H 1 9.1 . . 1 . . . . . . . . 133 1 442 . 1 1 87 87 ALA HA H 1 4.23 . . 1 . . . . . . . . 133 1 443 . 1 1 87 87 ALA HB1 H 1 .02 . . 1 . . . . . . . . 133 1 444 . 1 1 87 87 ALA HB2 H 1 .02 . . 1 . . . . . . . . 133 1 445 . 1 1 87 87 ALA HB3 H 1 .02 . . 1 . . . . . . . . 133 1 446 . 1 1 88 88 GLY H H 1 7.09 . . 1 . . . . . . . . 133 1 447 . 1 1 88 88 GLY HA2 H 1 3.74 . . 1 . . . . . . . . 133 1 448 . 1 1 88 88 GLY HA3 H 1 3.74 . . 1 . . . . . . . . 133 1 449 . 1 1 89 89 VAL H H 1 8.05 . . 1 . . . . . . . . 133 1 450 . 1 1 89 89 VAL HA H 1 4.58 . . 1 . . . . . . . . 133 1 451 . 1 1 89 89 VAL HB H 1 1.48 . . 1 . . . . . . . . 133 1 452 . 1 1 89 89 VAL HG11 H 1 .66 . . 2 . . . . . . . . 133 1 453 . 1 1 89 89 VAL HG12 H 1 .66 . . 2 . . . . . . . . 133 1 454 . 1 1 89 89 VAL HG13 H 1 .66 . . 2 . . . . . . . . 133 1 455 . 1 1 89 89 VAL HG21 H 1 .02 . . 2 . . . . . . . . 133 1 456 . 1 1 89 89 VAL HG22 H 1 .02 . . 2 . . . . . . . . 133 1 457 . 1 1 89 89 VAL HG23 H 1 .02 . . 2 . . . . . . . . 133 1 458 . 1 1 90 90 ILE H H 1 8.76 . . 1 . . . . . . . . 133 1 459 . 1 1 90 90 ILE HA H 1 5.03 . . 1 . . . . . . . . 133 1 460 . 1 1 90 90 ILE HB H 1 1.63 . . 1 . . . . . . . . 133 1 461 . 1 1 90 90 ILE HG12 H 1 .42 . . 2 . . . . . . . . 133 1 462 . 1 1 90 90 ILE HG13 H 1 .2 . . 2 . . . . . . . . 133 1 463 . 1 1 90 90 ILE HG21 H 1 .23 . . 1 . . . . . . . . 133 1 464 . 1 1 90 90 ILE HG22 H 1 .23 . . 1 . . . . . . . . 133 1 465 . 1 1 90 90 ILE HG23 H 1 .23 . . 1 . . . . . . . . 133 1 466 . 1 1 90 90 ILE HD11 H 1 -.83 . . 1 . . . . . . . . 133 1 467 . 1 1 90 90 ILE HD12 H 1 -.83 . . 1 . . . . . . . . 133 1 468 . 1 1 90 90 ILE HD13 H 1 -.83 . . 1 . . . . . . . . 133 1 469 . 1 1 91 91 THR H H 1 9.45 . . 1 . . . . . . . . 133 1 470 . 1 1 91 91 THR HA H 1 5.82 . . 1 . . . . . . . . 133 1 471 . 1 1 91 91 THR HB H 1 4.11 . . 1 . . . . . . . . 133 1 472 . 1 1 91 91 THR HG21 H 1 1.24 . . 1 . . . . . . . . 133 1 473 . 1 1 91 91 THR HG22 H 1 1.24 . . 1 . . . . . . . . 133 1 474 . 1 1 91 91 THR HG23 H 1 1.24 . . 1 . . . . . . . . 133 1 475 . 1 1 92 92 HIS H H 1 9.28 . . 1 . . . . . . . . 133 1 476 . 1 1 92 92 HIS HA H 1 4.96 . . 1 . . . . . . . . 133 1 477 . 1 1 92 92 HIS HB2 H 1 3.44 . . 2 . . . . . . . . 133 1 478 . 1 1 92 92 HIS HB3 H 1 3.02 . . 2 . . . . . . . . 133 1 479 . 1 1 92 92 HIS HD2 H 1 7.01 . . 1 . . . . . . . . 133 1 480 . 1 1 92 92 HIS HE1 H 1 7.52 . . 1 . . . . . . . . 133 1 481 . 1 1 93 93 THR H H 1 9.36 . . 1 . . . . . . . . 133 1 482 . 1 1 93 93 THR HA H 1 3.98 . . 1 . . . . . . . . 133 1 483 . 1 1 93 93 THR HB H 1 4.05 . . 1 . . . . . . . . 133 1 484 . 1 1 93 93 THR HG21 H 1 1.21 . . 1 . . . . . . . . 133 1 485 . 1 1 93 93 THR HG22 H 1 1.21 . . 1 . . . . . . . . 133 1 486 . 1 1 93 93 THR HG23 H 1 1.21 . . 1 . . . . . . . . 133 1 487 . 1 1 94 94 GLY H H 1 8.8 . . 1 . . . . . . . . 133 1 488 . 1 1 94 94 GLY HA2 H 1 4.22 . . 2 . . . . . . . . 133 1 489 . 1 1 94 94 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 133 1 490 . 1 1 95 95 ALA H H 1 7.9 . . 1 . . . . . . . . 133 1 491 . 1 1 95 95 ALA HA H 1 4.54 . . 1 . . . . . . . . 133 1 492 . 1 1 95 95 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 133 1 493 . 1 1 95 95 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 133 1 494 . 1 1 95 95 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 133 1 495 . 1 1 96 96 SER H H 1 8.37 . . 1 . . . . . . . . 133 1 496 . 1 1 96 96 SER HA H 1 4.59 . . 1 . . . . . . . . 133 1 497 . 1 1 96 96 SER HB2 H 1 3.86 . . 1 . . . . . . . . 133 1 498 . 1 1 96 96 SER HB3 H 1 3.86 . . 1 . . . . . . . . 133 1 499 . 1 1 97 97 GLY H H 1 8.54 . . 1 . . . . . . . . 133 1 500 . 1 1 97 97 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 133 1 501 . 1 1 97 97 GLY HA3 H 1 3.72 . . 2 . . . . . . . . 133 1 502 . 1 1 99 99 ASN H H 1 7.98 . . 1 . . . . . . . . 133 1 503 . 1 1 99 99 ASN HA H 1 4.96 . . 1 . . . . . . . . 133 1 504 . 1 1 99 99 ASN HB2 H 1 3.27 . . 2 . . . . . . . . 133 1 505 . 1 1 99 99 ASN HB3 H 1 3.14 . . 2 . . . . . . . . 133 1 506 . 1 1 100 100 PHE H H 1 8.91 . . 1 . . . . . . . . 133 1 507 . 1 1 100 100 PHE HA H 1 5.22 . . 1 . . . . . . . . 133 1 508 . 1 1 100 100 PHE HB2 H 1 3.03 . . 2 . . . . . . . . 133 1 509 . 1 1 100 100 PHE HB3 H 1 2.77 . . 2 . . . . . . . . 133 1 510 . 1 1 100 100 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 133 1 511 . 1 1 100 100 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 133 1 512 . 1 1 100 100 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 133 1 513 . 1 1 100 100 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 133 1 514 . 1 1 100 100 PHE HZ H 1 7.21 . . 1 . . . . . . . . 133 1 515 . 1 1 101 101 VAL H H 1 9.38 . . 1 . . . . . . . . 133 1 516 . 1 1 101 101 VAL HA H 1 4.87 . . 1 . . . . . . . . 133 1 517 . 1 1 101 101 VAL HB H 1 2.36 . . 1 . . . . . . . . 133 1 518 . 1 1 101 101 VAL HG11 H 1 1.04 . . 2 . . . . . . . . 133 1 519 . 1 1 101 101 VAL HG12 H 1 1.04 . . 2 . . . . . . . . 133 1 520 . 1 1 101 101 VAL HG13 H 1 1.04 . . 2 . . . . . . . . 133 1 521 . 1 1 101 101 VAL HG21 H 1 .87 . . 2 . . . . . . . . 133 1 522 . 1 1 101 101 VAL HG22 H 1 .87 . . 2 . . . . . . . . 133 1 523 . 1 1 101 101 VAL HG23 H 1 .87 . . 2 . . . . . . . . 133 1 524 . 1 1 102 102 GLU H H 1 8.74 . . 1 . . . . . . . . 133 1 525 . 1 1 102 102 GLU HA H 1 4.16 . . 1 . . . . . . . . 133 1 526 . 1 1 102 102 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 133 1 527 . 1 1 102 102 GLU HB3 H 1 1.74 . . 2 . . . . . . . . 133 1 528 . 1 1 102 102 GLU HG2 H 1 1.89 . . 1 . . . . . . . . 133 1 529 . 1 1 102 102 GLU HG3 H 1 1.89 . . 1 . . . . . . . . 133 1 530 . 1 1 103 103 CYS H H 1 8.61 . . 1 . . . . . . . . 133 1 531 . 1 1 103 103 CYS HA H 1 4.92 . . 1 . . . . . . . . 133 1 532 . 1 1 103 103 CYS HB2 H 1 3.35 . . 2 . . . . . . . . 133 1 533 . 1 1 103 103 CYS HB3 H 1 2.73 . . 2 . . . . . . . . 133 1 534 . 1 1 104 104 THR H H 1 8.4 . . 1 . . . . . . . . 133 1 535 . 1 1 104 104 THR HA H 1 4.36 . . 1 . . . . . . . . 133 1 536 . 1 1 104 104 THR HB H 1 4.43 . . 1 . . . . . . . . 133 1 537 . 1 1 104 104 THR HG21 H 1 1.21 . . 1 . . . . . . . . 133 1 538 . 1 1 104 104 THR HG22 H 1 1.21 . . 1 . . . . . . . . 133 1 539 . 1 1 104 104 THR HG23 H 1 1.21 . . 1 . . . . . . . . 133 1 stop_ save_