data_1071 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1071 _Entry.Title ; 1H NMR Assignment and Secondary Structure of the Ca+2-Free Form of the Amino-Terminal Epidermal Growth Factor like Domain in Coagulation Factor X ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _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 Maria Selander . . . 1071 2 Egon Persson . . . 1071 3 Johan Stenflo . . . 1071 4 Torbjorn Drakenberg . . . 1071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 240 1071 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 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1071 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1071 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1071 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1071 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1071 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Selander, Maria, Persson, Egon, Stenflo, Johan, Drakenberg, Torbjorn, "1H NMR Assignment and Secondary Structure of the Ca+2-Free Form of the Amino-Terminal Epidermal Growth Factor like Domain in Coagulation Factor X," Biochemistry 29, 8111-8118 (1990). ; _Citation.Title ; 1H NMR Assignment and Secondary Structure of the Ca+2-Free Form of the Amino-Terminal Epidermal Growth Factor like Domain in Coagulation Factor X ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 8111 _Citation.Page_last 8118 _Citation.Year 1990 _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 Maria Selander . . . 1071 1 2 Egon Persson . . . 1071 1 3 Johan Stenflo . . . 1071 1 4 Torbjorn Drakenberg . . . 1071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_coagulation_factor_X _Assembly.Sf_category assembly _Assembly.Sf_framecode system_coagulation_factor_X _Assembly.Entry_ID 1071 _Assembly.ID 1 _Assembly.Name 'coagulation factor X' _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 'coagulation factor X' 1 $coagulation_factor_X . . . . . . . . . 1071 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'coagulation factor X' system 1071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_coagulation_factor_X _Entity.Sf_category entity _Entity.Sf_framecode coagulation_factor_X _Entity.Entry_ID 1071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'coagulation factor X' _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 ; KDGDQCEGHPCLNQGHCKXG IGDYTCTCAEGFEGKNCEFS TR ; _Entity.Polymer_seq_one_letter_code ; KDGDQCEGHPCLNQGHCKXG IGDYTCTCAEGFEGKNCEFS TR ; _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 42 _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 . _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 2015-11-26 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 1APO . "Three-Dimensional Structure Of The Apo Form Of The N- Terminal Egf-Like Module Of Blood Coagulation Factor X As Determined By N" . . . . . 97.62 42 97.56 97.56 4.78e-19 . . . . 1071 1 2 no PDB 1CCF . "How An Epidermal Growth Factor (Egf)-Like Domain Binds Calcium-High Resolution Nmr Structure Of The Calcium Form Of The Nh2-Ter" . . . . . 100.00 42 100.00 100.00 5.63e-20 . . . . 1071 1 3 no PDB 1WHE . "Coagulation Factor, Nmr, 20 Structures" . . . . . 100.00 86 100.00 100.00 1.88e-20 . . . . 1071 1 4 no PDB 1WHF . "Coagulation Factor, Nmr, 15 Structures" . . . . . 100.00 86 100.00 100.00 1.88e-20 . . . . 1071 1 5 no EMBL CAA25286 . "unnamed protein product [Bos taurus]" . . . . . 100.00 487 97.62 97.62 2.00e-19 . . . . 1071 1 6 no GB AAI04608 . "F10 protein [Bos taurus]" . . . . . 100.00 483 97.62 97.62 2.13e-19 . . . . 1071 1 7 no PRF 750232A . "factor X1 L" . . . . . 100.00 140 97.62 97.62 7.75e-20 . . . . 1071 1 8 no REF NP_001073682 . "coagulation factor X precursor [Bos taurus]" . . . . . 100.00 492 97.62 97.62 2.10e-19 . . . . 1071 1 9 no REF XP_001256722 . "PREDICTED: coagulation factor X-like, partial [Bos taurus]" . . . . . 97.62 436 97.56 97.56 9.30e-19 . . . . 1071 1 10 no REF XP_010809274 . "PREDICTED: coagulation factor X isoform X1 [Bos taurus]" . . . . . 100.00 608 97.62 97.62 3.66e-19 . . . . 1071 1 11 no REF XP_010829751 . "PREDICTED: coagulation factor X [Bison bison bison]" . . . . . 100.00 492 97.62 97.62 1.90e-19 . . . . 1071 1 12 no SP P00743 . "RecName: Full=Coagulation factor X; AltName: Full=Stuart factor; Contains: RecName: Full=Factor X light chain; Contains: RecNam" . . . . . 100.00 492 97.62 97.62 2.10e-19 . . . . 1071 1 13 no TPG DAA23690 . "TPA: coagulation factor X [Bos taurus]" . . . . . 100.00 492 97.62 97.62 2.10e-19 . . . . 1071 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'coagulation factor X' common 1071 1 'EGF-like domain' variant 1071 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 . LYS . 1071 1 2 . ASP . 1071 1 3 . GLY . 1071 1 4 . ASP . 1071 1 5 . GLN . 1071 1 6 . CYS . 1071 1 7 . GLU . 1071 1 8 . GLY . 1071 1 9 . HIS . 1071 1 10 . PRO . 1071 1 11 . CYS . 1071 1 12 . LEU . 1071 1 13 . ASN . 1071 1 14 . GLN . 1071 1 15 . GLY . 1071 1 16 . HIS . 1071 1 17 . CYS . 1071 1 18 . LYS . 1071 1 19 . X . 1071 1 20 . GLY . 1071 1 21 . ILE . 1071 1 22 . GLY . 1071 1 23 . ASP . 1071 1 24 . TYR . 1071 1 25 . THR . 1071 1 26 . CYS . 1071 1 27 . THR . 1071 1 28 . CYS . 1071 1 29 . ALA . 1071 1 30 . GLU . 1071 1 31 . GLY . 1071 1 32 . PHE . 1071 1 33 . GLU . 1071 1 34 . GLY . 1071 1 35 . LYS . 1071 1 36 . ASN . 1071 1 37 . CYS . 1071 1 38 . GLU . 1071 1 39 . PHE . 1071 1 40 . SER . 1071 1 41 . THR . 1071 1 42 . ARG . 1071 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 . LYS 1 1 1071 1 . ASP 2 2 1071 1 . GLY 3 3 1071 1 . ASP 4 4 1071 1 . GLN 5 5 1071 1 . CYS 6 6 1071 1 . GLU 7 7 1071 1 . GLY 8 8 1071 1 . HIS 9 9 1071 1 . PRO 10 10 1071 1 . CYS 11 11 1071 1 . LEU 12 12 1071 1 . ASN 13 13 1071 1 . GLN 14 14 1071 1 . GLY 15 15 1071 1 . HIS 16 16 1071 1 . CYS 17 17 1071 1 . LYS 18 18 1071 1 . X 19 19 1071 1 . GLY 20 20 1071 1 . ILE 21 21 1071 1 . GLY 22 22 1071 1 . ASP 23 23 1071 1 . TYR 24 24 1071 1 . THR 25 25 1071 1 . CYS 26 26 1071 1 . THR 27 27 1071 1 . CYS 28 28 1071 1 . ALA 29 29 1071 1 . GLU 30 30 1071 1 . GLY 31 31 1071 1 . PHE 32 32 1071 1 . GLU 33 33 1071 1 . GLY 34 34 1071 1 . LYS 35 35 1071 1 . ASN 36 36 1071 1 . CYS 37 37 1071 1 . GLU 38 38 1071 1 . PHE 39 39 1071 1 . SER 40 40 1071 1 . THR 41 41 1071 1 . ARG 42 42 1071 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 1071 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $coagulation_factor_X . 9909 organism . 'Bos primigenius' cow . . Eukaryota Metazoa Bos primigenius generic . . . . . . . . . . . serum . . . . . . . . 1071 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 1071 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $coagulation_factor_X . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1071 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1071 _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 . 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 1071 _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 5.8 . na 1071 1 temperature 301 . K 1071 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 1071 _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 1071 _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' . . 1071 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 1071 _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 . . . . . . . . . . . . . . . . 1071 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 1071 _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 . H2O/HDO . . . . . ppm 4.75 . . . . . . 1 $entry_citation . . 1 $entry_citation 1071 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 1071 _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 . 1071 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 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 1071 1 2 . 1 1 1 1 LYS HB2 H 1 1.97 0.02 . 1 . . . . . . . . 1071 1 3 . 1 1 1 1 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 1071 1 4 . 1 1 1 1 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 1071 1 5 . 1 1 1 1 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 1071 1 6 . 1 1 1 1 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 1071 1 7 . 1 1 1 1 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 1071 1 8 . 1 1 1 1 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 1071 1 9 . 1 1 1 1 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 1071 1 10 . 1 1 2 2 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 1071 1 11 . 1 1 2 2 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 1071 1 12 . 1 1 2 2 ASP HB3 H 1 2.69 0.02 . 2 . . . . . . . . 1071 1 13 . 1 1 3 3 GLY H H 1 8.58 0.02 . 1 . . . . . . . . 1071 1 14 . 1 1 3 3 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 1071 1 15 . 1 1 3 3 GLY HA3 H 1 4.13 0.02 . 2 . . . . . . . . 1071 1 16 . 1 1 4 4 ASP H H 1 8.1 0.02 . 1 . . . . . . . . 1071 1 17 . 1 1 4 4 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 1071 1 18 . 1 1 4 4 ASP HB2 H 1 2.77 0.02 . 2 . . . . . . . . 1071 1 19 . 1 1 4 4 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 1071 1 20 . 1 1 5 5 GLN H H 1 9.04 0.02 . 1 . . . . . . . . 1071 1 21 . 1 1 5 5 GLN HA H 1 4.11 0.02 . 1 . . . . . . . . 1071 1 22 . 1 1 5 5 GLN HB2 H 1 2.16 0.02 . 2 . . . . . . . . 1071 1 23 . 1 1 5 5 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 1071 1 24 . 1 1 5 5 GLN HG2 H 1 2.54 0.02 . 1 . . . . . . . . 1071 1 25 . 1 1 5 5 GLN HG3 H 1 2.54 0.02 . 1 . . . . . . . . 1071 1 26 . 1 1 5 5 GLN HE21 H 1 6.76 0.02 . 2 . . . . . . . . 1071 1 27 . 1 1 5 5 GLN HE22 H 1 7.51 0.02 . 2 . . . . . . . . 1071 1 28 . 1 1 6 6 CYS H H 1 8.71 0.02 . 1 . . . . . . . . 1071 1 29 . 1 1 6 6 CYS HA H 1 4.27 0.02 . 1 . . . . . . . . 1071 1 30 . 1 1 6 6 CYS HB2 H 1 3.11 0.02 . 1 . . . . . . . . 1071 1 31 . 1 1 6 6 CYS HB3 H 1 3.11 0.02 . 1 . . . . . . . . 1071 1 32 . 1 1 7 7 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 1071 1 33 . 1 1 7 7 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 1071 1 34 . 1 1 7 7 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 1071 1 35 . 1 1 7 7 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 1071 1 36 . 1 1 7 7 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 1071 1 37 . 1 1 7 7 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 1071 1 38 . 1 1 8 8 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 1071 1 39 . 1 1 8 8 GLY HA2 H 1 3.54 0.02 . 2 . . . . . . . . 1071 1 40 . 1 1 8 8 GLY HA3 H 1 4 0.02 . 2 . . . . . . . . 1071 1 41 . 1 1 9 9 HIS H H 1 7.72 0.02 . 1 . . . . . . . . 1071 1 42 . 1 1 9 9 HIS HA H 1 4.37 0.02 . 1 . . . . . . . . 1071 1 43 . 1 1 9 9 HIS HB2 H 1 3.17 0.02 . 2 . . . . . . . . 1071 1 44 . 1 1 9 9 HIS HB3 H 1 3.33 0.02 . 2 . . . . . . . . 1071 1 45 . 1 1 9 9 HIS HD2 H 1 7.2 0.02 . 1 . . . . . . . . 1071 1 46 . 1 1 9 9 HIS HE1 H 1 8.5 0.02 . 1 . . . . . . . . 1071 1 47 . 1 1 10 10 PRO HA H 1 4.18 0.02 . 1 . . . . . . . . 1071 1 48 . 1 1 10 10 PRO HB2 H 1 1.62 0.02 . 2 . . . . . . . . 1071 1 49 . 1 1 10 10 PRO HB3 H 1 1.75 0.02 . 2 . . . . . . . . 1071 1 50 . 1 1 10 10 PRO HG2 H 1 .78 0.02 . 2 . . . . . . . . 1071 1 51 . 1 1 10 10 PRO HG3 H 1 1.43 0.02 . 2 . . . . . . . . 1071 1 52 . 1 1 10 10 PRO HD2 H 1 3.2 0.02 . 2 . . . . . . . . 1071 1 53 . 1 1 10 10 PRO HD3 H 1 3.38 0.02 . 2 . . . . . . . . 1071 1 54 . 1 1 11 11 CYS H H 1 7.59 0.02 . 1 . . . . . . . . 1071 1 55 . 1 1 11 11 CYS HA H 1 4.42 0.02 . 1 . . . . . . . . 1071 1 56 . 1 1 11 11 CYS HB2 H 1 2.28 0.02 . 2 . . . . . . . . 1071 1 57 . 1 1 11 11 CYS HB3 H 1 2.62 0.02 . 2 . . . . . . . . 1071 1 58 . 1 1 12 12 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 1071 1 59 . 1 1 12 12 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 1071 1 60 . 1 1 12 12 LEU HB2 H 1 1.28 0.02 . 2 . . . . . . . . 1071 1 61 . 1 1 12 12 LEU HB3 H 1 1.54 0.02 . 2 . . . . . . . . 1071 1 62 . 1 1 12 12 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 1071 1 63 . 1 1 12 12 LEU HD11 H 1 .79 0.02 . 2 . . . . . . . . 1071 1 64 . 1 1 12 12 LEU HD12 H 1 .79 0.02 . 2 . . . . . . . . 1071 1 65 . 1 1 12 12 LEU HD13 H 1 .79 0.02 . 2 . . . . . . . . 1071 1 66 . 1 1 12 12 LEU HD21 H 1 .84 0.02 . 2 . . . . . . . . 1071 1 67 . 1 1 12 12 LEU HD22 H 1 .84 0.02 . 2 . . . . . . . . 1071 1 68 . 1 1 12 12 LEU HD23 H 1 .84 0.02 . 2 . . . . . . . . 1071 1 69 . 1 1 13 13 ASN H H 1 8.9 0.02 . 1 . . . . . . . . 1071 1 70 . 1 1 13 13 ASN HA H 1 3.91 0.02 . 1 . . . . . . . . 1071 1 71 . 1 1 13 13 ASN HB2 H 1 1.06 0.02 . 2 . . . . . . . . 1071 1 72 . 1 1 13 13 ASN HB3 H 1 1.78 0.02 . 2 . . . . . . . . 1071 1 73 . 1 1 13 13 ASN HD21 H 1 7.16 0.02 . 2 . . . . . . . . 1071 1 74 . 1 1 13 13 ASN HD22 H 1 7.89 0.02 . 2 . . . . . . . . 1071 1 75 . 1 1 14 14 GLN H H 1 8.73 0.02 . 1 . . . . . . . . 1071 1 76 . 1 1 14 14 GLN HA H 1 3.73 0.02 . 1 . . . . . . . . 1071 1 77 . 1 1 14 14 GLN HB2 H 1 2.27 0.02 . 1 . . . . . . . . 1071 1 78 . 1 1 14 14 GLN HB3 H 1 2.27 0.02 . 1 . . . . . . . . 1071 1 79 . 1 1 14 14 GLN HG2 H 1 3.11 0.02 . 1 . . . . . . . . 1071 1 80 . 1 1 14 14 GLN HG3 H 1 3.11 0.02 . 1 . . . . . . . . 1071 1 81 . 1 1 14 14 GLN HE21 H 1 6.79 0.02 . 2 . . . . . . . . 1071 1 82 . 1 1 14 14 GLN HE22 H 1 7.48 0.02 . 2 . . . . . . . . 1071 1 83 . 1 1 15 15 GLY H H 1 7.16 0.02 . 1 . . . . . . . . 1071 1 84 . 1 1 15 15 GLY HA2 H 1 3.31 0.02 . 2 . . . . . . . . 1071 1 85 . 1 1 15 15 GLY HA3 H 1 4.27 0.02 . 2 . . . . . . . . 1071 1 86 . 1 1 16 16 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 1071 1 87 . 1 1 16 16 HIS HA H 1 4.92 0.02 . 1 . . . . . . . . 1071 1 88 . 1 1 16 16 HIS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 1071 1 89 . 1 1 16 16 HIS HB3 H 1 3.19 0.02 . 2 . . . . . . . . 1071 1 90 . 1 1 16 16 HIS HD2 H 1 7.2 0.02 . 1 . . . . . . . . 1071 1 91 . 1 1 16 16 HIS HE1 H 1 8.5 0.02 . 1 . . . . . . . . 1071 1 92 . 1 1 17 17 CYS H H 1 8.98 0.02 . 1 . . . . . . . . 1071 1 93 . 1 1 17 17 CYS HA H 1 5.15 0.02 . 1 . . . . . . . . 1071 1 94 . 1 1 17 17 CYS HB2 H 1 3.02 0.02 . 1 . . . . . . . . 1071 1 95 . 1 1 17 17 CYS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 1071 1 96 . 1 1 18 18 LYS H H 1 9.29 0.02 . 1 . . . . . . . . 1071 1 97 . 1 1 18 18 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 1071 1 98 . 1 1 18 18 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 1071 1 99 . 1 1 18 18 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 1071 1 100 . 1 1 18 18 LYS HG2 H 1 1.82 0.02 . 1 . . . . . . . . 1071 1 101 . 1 1 18 18 LYS HG3 H 1 1.82 0.02 . 1 . . . . . . . . 1071 1 102 . 1 1 18 18 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . 1071 1 103 . 1 1 18 18 LYS HD3 H 1 1.54 0.02 . 1 . . . . . . . . 1071 1 104 . 1 1 18 18 LYS HE2 H 1 3.08 0.02 . 1 . . . . . . . . 1071 1 105 . 1 1 18 18 LYS HE3 H 1 3.08 0.02 . 1 . . . . . . . . 1071 1 106 . 1 1 20 20 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 1071 1 107 . 1 1 20 20 GLY HA2 H 1 4.52 0.02 . 2 . . . . . . . . 1071 1 108 . 1 1 20 20 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 1071 1 109 . 1 1 21 21 ILE H H 1 8.5 0.02 . 1 . . . . . . . . 1071 1 110 . 1 1 21 21 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 1071 1 111 . 1 1 21 21 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 1071 1 112 . 1 1 21 21 ILE HG12 H 1 1.17 0.02 . 2 . . . . . . . . 1071 1 113 . 1 1 21 21 ILE HG13 H 1 1.48 0.02 . 2 . . . . . . . . 1071 1 114 . 1 1 21 21 ILE HG21 H 1 .95 0.02 . 1 . . . . . . . . 1071 1 115 . 1 1 21 21 ILE HG22 H 1 .95 0.02 . 1 . . . . . . . . 1071 1 116 . 1 1 21 21 ILE HG23 H 1 .95 0.02 . 1 . . . . . . . . 1071 1 117 . 1 1 21 21 ILE HD11 H 1 .89 0.02 . 1 . . . . . . . . 1071 1 118 . 1 1 21 21 ILE HD12 H 1 .89 0.02 . 1 . . . . . . . . 1071 1 119 . 1 1 21 21 ILE HD13 H 1 .89 0.02 . 1 . . . . . . . . 1071 1 120 . 1 1 22 22 GLY H H 1 8.8 0.02 . 1 . . . . . . . . 1071 1 121 . 1 1 22 22 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 1071 1 122 . 1 1 22 22 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 1071 1 123 . 1 1 23 23 ASP H H 1 7.42 0.02 . 1 . . . . . . . . 1071 1 124 . 1 1 23 23 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 1071 1 125 . 1 1 23 23 ASP HB2 H 1 2.46 0.02 . 2 . . . . . . . . 1071 1 126 . 1 1 23 23 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 1071 1 127 . 1 1 24 24 TYR H H 1 7.99 0.02 . 1 . . . . . . . . 1071 1 128 . 1 1 24 24 TYR HA H 1 5.16 0.02 . 1 . . . . . . . . 1071 1 129 . 1 1 24 24 TYR HB2 H 1 2.71 0.02 . 2 . . . . . . . . 1071 1 130 . 1 1 24 24 TYR HB3 H 1 3.1 0.02 . 2 . . . . . . . . 1071 1 131 . 1 1 24 24 TYR HD1 H 1 6.84 0.02 . 1 . . . . . . . . 1071 1 132 . 1 1 24 24 TYR HD2 H 1 6.84 0.02 . 1 . . . . . . . . 1071 1 133 . 1 1 24 24 TYR HE1 H 1 6.82 0.02 . 1 . . . . . . . . 1071 1 134 . 1 1 24 24 TYR HE2 H 1 6.82 0.02 . 1 . . . . . . . . 1071 1 135 . 1 1 25 25 THR H H 1 8.66 0.02 . 1 . . . . . . . . 1071 1 136 . 1 1 25 25 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 1071 1 137 . 1 1 25 25 THR HB H 1 4.05 0.02 . 1 . . . . . . . . 1071 1 138 . 1 1 25 25 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 1071 1 139 . 1 1 25 25 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 1071 1 140 . 1 1 25 25 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 1071 1 141 . 1 1 26 26 CYS H H 1 9.51 0.02 . 1 . . . . . . . . 1071 1 142 . 1 1 26 26 CYS HA H 1 5.54 0.02 . 1 . . . . . . . . 1071 1 143 . 1 1 26 26 CYS HB2 H 1 2.76 0.02 . 2 . . . . . . . . 1071 1 144 . 1 1 26 26 CYS HB3 H 1 3.07 0.02 . 2 . . . . . . . . 1071 1 145 . 1 1 27 27 THR H H 1 9.36 0.02 . 1 . . . . . . . . 1071 1 146 . 1 1 27 27 THR HA H 1 4.61 0.02 . 1 . . . . . . . . 1071 1 147 . 1 1 27 27 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 1071 1 148 . 1 1 27 27 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 1071 1 149 . 1 1 27 27 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 1071 1 150 . 1 1 27 27 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 1071 1 151 . 1 1 28 28 CYS H H 1 9.22 0.02 . 1 . . . . . . . . 1071 1 152 . 1 1 28 28 CYS HA H 1 4.88 0.02 . 1 . . . . . . . . 1071 1 153 . 1 1 28 28 CYS HB2 H 1 2.77 0.02 . 2 . . . . . . . . 1071 1 154 . 1 1 28 28 CYS HB3 H 1 3.42 0.02 . 2 . . . . . . . . 1071 1 155 . 1 1 29 29 ALA H H 1 8.85 0.02 . 1 . . . . . . . . 1071 1 156 . 1 1 29 29 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 1071 1 157 . 1 1 29 29 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 1071 1 158 . 1 1 29 29 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 1071 1 159 . 1 1 29 29 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 1071 1 160 . 1 1 30 30 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 1071 1 161 . 1 1 30 30 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 1071 1 162 . 1 1 30 30 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 1071 1 163 . 1 1 30 30 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 1071 1 164 . 1 1 30 30 GLU HG2 H 1 2.3 0.02 . 1 . . . . . . . . 1071 1 165 . 1 1 30 30 GLU HG3 H 1 2.3 0.02 . 1 . . . . . . . . 1071 1 166 . 1 1 31 31 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 1071 1 167 . 1 1 31 31 GLY HA2 H 1 3.47 0.02 . 2 . . . . . . . . 1071 1 168 . 1 1 31 31 GLY HA3 H 1 4.01 0.02 . 2 . . . . . . . . 1071 1 169 . 1 1 32 32 PHE H H 1 7.91 0.02 . 1 . . . . . . . . 1071 1 170 . 1 1 32 32 PHE HA H 1 5.73 0.02 . 1 . . . . . . . . 1071 1 171 . 1 1 32 32 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . 1071 1 172 . 1 1 32 32 PHE HB3 H 1 3.13 0.02 . 2 . . . . . . . . 1071 1 173 . 1 1 32 32 PHE HD1 H 1 6.98 0.02 . 1 . . . . . . . . 1071 1 174 . 1 1 32 32 PHE HD2 H 1 6.98 0.02 . 1 . . . . . . . . 1071 1 175 . 1 1 32 32 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . 1071 1 176 . 1 1 32 32 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . 1071 1 177 . 1 1 32 32 PHE HZ H 1 7.14 0.02 . 1 . . . . . . . . 1071 1 178 . 1 1 33 33 GLU H H 1 9.45 0.02 . 1 . . . . . . . . 1071 1 179 . 1 1 33 33 GLU HA H 1 4.95 0.02 . 1 . . . . . . . . 1071 1 180 . 1 1 33 33 GLU HB2 H 1 2.1 0.02 . 2 . . . . . . . . 1071 1 181 . 1 1 33 33 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 1071 1 182 . 1 1 33 33 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 1071 1 183 . 1 1 33 33 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 1071 1 184 . 1 1 34 34 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 1071 1 185 . 1 1 34 34 GLY HA2 H 1 4 0.02 . 2 . . . . . . . . 1071 1 186 . 1 1 34 34 GLY HA3 H 1 5.1 0.02 . 2 . . . . . . . . 1071 1 187 . 1 1 35 35 LYS H H 1 9.38 0.02 . 1 . . . . . . . . 1071 1 188 . 1 1 35 35 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 1071 1 189 . 1 1 35 35 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 1071 1 190 . 1 1 35 35 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 1071 1 191 . 1 1 35 35 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 1071 1 192 . 1 1 35 35 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 1071 1 193 . 1 1 35 35 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 1071 1 194 . 1 1 35 35 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 1071 1 195 . 1 1 35 35 LYS HE2 H 1 2.66 0.02 . 2 . . . . . . . . 1071 1 196 . 1 1 35 35 LYS HE3 H 1 2.77 0.02 . 2 . . . . . . . . 1071 1 197 . 1 1 36 36 ASN H H 1 9.19 0.02 . 1 . . . . . . . . 1071 1 198 . 1 1 36 36 ASN HA H 1 5.58 0.02 . 1 . . . . . . . . 1071 1 199 . 1 1 36 36 ASN HB2 H 1 2.29 0.02 . 2 . . . . . . . . 1071 1 200 . 1 1 36 36 ASN HB3 H 1 3.47 0.02 . 2 . . . . . . . . 1071 1 201 . 1 1 36 36 ASN HD21 H 1 6.96 0.02 . 2 . . . . . . . . 1071 1 202 . 1 1 36 36 ASN HD22 H 1 7.52 0.02 . 2 . . . . . . . . 1071 1 203 . 1 1 37 37 CYS H H 1 7.83 0.02 . 1 . . . . . . . . 1071 1 204 . 1 1 37 37 CYS HA H 1 4.02 0.02 . 1 . . . . . . . . 1071 1 205 . 1 1 37 37 CYS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 1071 1 206 . 1 1 37 37 CYS HB3 H 1 3.47 0.02 . 2 . . . . . . . . 1071 1 207 . 1 1 38 38 GLU H H 1 10.63 0.02 . 1 . . . . . . . . 1071 1 208 . 1 1 38 38 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 1071 1 209 . 1 1 38 38 GLU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 1071 1 210 . 1 1 38 38 GLU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 1071 1 211 . 1 1 38 38 GLU HG2 H 1 1.1 0.02 . 1 . . . . . . . . 1071 1 212 . 1 1 38 38 GLU HG3 H 1 1.1 0.02 . 1 . . . . . . . . 1071 1 213 . 1 1 39 39 PHE H H 1 8.89 0.02 . 1 . . . . . . . . 1071 1 214 . 1 1 39 39 PHE HA H 1 5.24 0.02 . 1 . . . . . . . . 1071 1 215 . 1 1 39 39 PHE HB2 H 1 2.82 0.02 . 2 . . . . . . . . 1071 1 216 . 1 1 39 39 PHE HB3 H 1 3.24 0.02 . 2 . . . . . . . . 1071 1 217 . 1 1 39 39 PHE HD1 H 1 7.26 0.02 . 1 . . . . . . . . 1071 1 218 . 1 1 39 39 PHE HD2 H 1 7.26 0.02 . 1 . . . . . . . . 1071 1 219 . 1 1 39 39 PHE HE1 H 1 7.45 0.02 . 1 . . . . . . . . 1071 1 220 . 1 1 39 39 PHE HE2 H 1 7.45 0.02 . 1 . . . . . . . . 1071 1 221 . 1 1 39 39 PHE HZ H 1 7.53 0.02 . 1 . . . . . . . . 1071 1 222 . 1 1 40 40 SER H H 1 8.75 0.02 . 1 . . . . . . . . 1071 1 223 . 1 1 40 40 SER HA H 1 4.85 0.02 . 1 . . . . . . . . 1071 1 224 . 1 1 40 40 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 1071 1 225 . 1 1 40 40 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 1071 1 226 . 1 1 41 41 THR H H 1 8.25 0.02 . 1 . . . . . . . . 1071 1 227 . 1 1 41 41 THR HA H 1 4.24 0.02 . 1 . . . . . . . . 1071 1 228 . 1 1 41 41 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 1071 1 229 . 1 1 41 41 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 1071 1 230 . 1 1 41 41 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 1071 1 231 . 1 1 41 41 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 1071 1 232 . 1 1 42 42 ARG H H 1 7.74 0.02 . 1 . . . . . . . . 1071 1 233 . 1 1 42 42 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 1071 1 234 . 1 1 42 42 ARG HB2 H 1 1.66 0.02 . 2 . . . . . . . . 1071 1 235 . 1 1 42 42 ARG HB3 H 1 1.82 0.02 . 2 . . . . . . . . 1071 1 236 . 1 1 42 42 ARG HG2 H 1 1.55 0.02 . 1 . . . . . . . . 1071 1 237 . 1 1 42 42 ARG HG3 H 1 1.55 0.02 . 1 . . . . . . . . 1071 1 238 . 1 1 42 42 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 1071 1 239 . 1 1 42 42 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 1071 1 240 . 1 1 42 42 ARG HE H 1 7.1 0.02 . 1 . . . . . . . . 1071 1 stop_ save_