data_2787 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2787 _Entry.Title ; Sequential Individual Resonance Assignments in the 1H Nuclear-Magnetic-Resonance Spectrum of Cardiotoxin VII 2 from Naja mossambica mossambica ; _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 Ramakrishna Hosur . V. . 2787 2 Gerhard Wider . . . 2787 3 Kurt Wuthrich . . . 2787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 302 2787 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 . . 2010-06-17 . revision BMRB 'Complete natural source information' 2787 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2787 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2787 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2787 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2787 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hosur, Ramakrishna V., Wider, Gerhard, Wuthrich, Kurt, "Sequential Individual Resonance Assignments in the 1H Nuclear-Magnetic-Resonance Spectrum of Cardiotoxin VII 2 from Naja mossambica mossambica," Eur. J. Biochem. 130, 497-508 (1983). ; _Citation.Title ; Sequential Individual Resonance Assignments in the 1H Nuclear-Magnetic-Resonance Spectrum of Cardiotoxin VII 2 from Naja mossambica mossambica ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 130 _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 497 _Citation.Page_last 508 _Citation.Year 1983 _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 Ramakrishna Hosur . V. . 2787 1 2 Gerhard Wider . . . 2787 1 3 Kurt Wuthrich . . . 2787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cardiotoxin_VII2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cardiotoxin_VII2 _Assembly.Entry_ID 2787 _Assembly.ID 1 _Assembly.Name 'cardiotoxin VII2' _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 'cardiotoxin VII2' 1 $cardiotoxin_VII2 . . . . . . . . . 2787 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cardiotoxin VII2' system 2787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cardiotoxin_VII2 _Entity.Sf_category entity _Entity.Sf_framecode cardiotoxin_VII2 _Entity.Entry_ID 2787 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cardiotoxin VII2' _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 ; LKCNQLIPPFWKTCPKGKNL CYKMTMRGASKVPVKRGCID VCPKSSLLIKYMCCNTDKCN ; _Entity.Polymer_seq_one_letter_code ; LKCNQLIPPFWKTCPKGKNL CYKMTMRGASKVPVKRGCID VCPKSSLLIKYMCCNTDKCN ; _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 60 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PRF 740421B . "toxin VII2" . . . . . 100.00 60 100.00 100.00 7.08e-34 . . . . 2787 1 2 no SP P01469 . "RecName: Full=Cytotoxin 2; AltName: Full=CTX M2; AltName: Full=Cardiotoxin IIA; Short=CTX IIA; AltName: Full=Cytotoxin V(II)2" . . . . . 100.00 60 100.00 100.00 7.08e-34 . . . . 2787 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cardiotoxin VII2' common 2787 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 . LEU . 2787 1 2 . LYS . 2787 1 3 . CYS . 2787 1 4 . ASN . 2787 1 5 . GLN . 2787 1 6 . LEU . 2787 1 7 . ILE . 2787 1 8 . PRO . 2787 1 9 . PRO . 2787 1 10 . PHE . 2787 1 11 . TRP . 2787 1 12 . LYS . 2787 1 13 . THR . 2787 1 14 . CYS . 2787 1 15 . PRO . 2787 1 16 . LYS . 2787 1 17 . GLY . 2787 1 18 . LYS . 2787 1 19 . ASN . 2787 1 20 . LEU . 2787 1 21 . CYS . 2787 1 22 . TYR . 2787 1 23 . LYS . 2787 1 24 . MET . 2787 1 25 . THR . 2787 1 26 . MET . 2787 1 27 . ARG . 2787 1 28 . GLY . 2787 1 29 . ALA . 2787 1 30 . SER . 2787 1 31 . LYS . 2787 1 32 . VAL . 2787 1 33 . PRO . 2787 1 34 . VAL . 2787 1 35 . LYS . 2787 1 36 . ARG . 2787 1 37 . GLY . 2787 1 38 . CYS . 2787 1 39 . ILE . 2787 1 40 . ASP . 2787 1 41 . VAL . 2787 1 42 . CYS . 2787 1 43 . PRO . 2787 1 44 . LYS . 2787 1 45 . SER . 2787 1 46 . SER . 2787 1 47 . LEU . 2787 1 48 . LEU . 2787 1 49 . ILE . 2787 1 50 . LYS . 2787 1 51 . TYR . 2787 1 52 . MET . 2787 1 53 . CYS . 2787 1 54 . CYS . 2787 1 55 . ASN . 2787 1 56 . THR . 2787 1 57 . ASP . 2787 1 58 . LYS . 2787 1 59 . CYS . 2787 1 60 . ASN . 2787 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 . LEU 1 1 2787 1 . LYS 2 2 2787 1 . CYS 3 3 2787 1 . ASN 4 4 2787 1 . GLN 5 5 2787 1 . LEU 6 6 2787 1 . ILE 7 7 2787 1 . PRO 8 8 2787 1 . PRO 9 9 2787 1 . PHE 10 10 2787 1 . TRP 11 11 2787 1 . LYS 12 12 2787 1 . THR 13 13 2787 1 . CYS 14 14 2787 1 . PRO 15 15 2787 1 . LYS 16 16 2787 1 . GLY 17 17 2787 1 . LYS 18 18 2787 1 . ASN 19 19 2787 1 . LEU 20 20 2787 1 . CYS 21 21 2787 1 . TYR 22 22 2787 1 . LYS 23 23 2787 1 . MET 24 24 2787 1 . THR 25 25 2787 1 . MET 26 26 2787 1 . ARG 27 27 2787 1 . GLY 28 28 2787 1 . ALA 29 29 2787 1 . SER 30 30 2787 1 . LYS 31 31 2787 1 . VAL 32 32 2787 1 . PRO 33 33 2787 1 . VAL 34 34 2787 1 . LYS 35 35 2787 1 . ARG 36 36 2787 1 . GLY 37 37 2787 1 . CYS 38 38 2787 1 . ILE 39 39 2787 1 . ASP 40 40 2787 1 . VAL 41 41 2787 1 . CYS 42 42 2787 1 . PRO 43 43 2787 1 . LYS 44 44 2787 1 . SER 45 45 2787 1 . SER 46 46 2787 1 . LEU 47 47 2787 1 . LEU 48 48 2787 1 . ILE 49 49 2787 1 . LYS 50 50 2787 1 . TYR 51 51 2787 1 . MET 52 52 2787 1 . CYS 53 53 2787 1 . CYS 54 54 2787 1 . ASN 55 55 2787 1 . THR 56 56 2787 1 . ASP 57 57 2787 1 . LYS 58 58 2787 1 . CYS 59 59 2787 1 . ASN 60 60 2787 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 2787 _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 $cardiotoxin_VII2 . 8644 organism . 'Naja mossambica (mossambica)' cobra . . Eukaryota Metazoa Naja 'mossambica (mossambica)' mossambica . . . . . . . . . . . . . . . . . . . . 2787 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 2787 _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 $cardiotoxin_VII2 . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2787 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2787 _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 2787 _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 3.6 . na 2787 1 temperature 318 . K 2787 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 2787 _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 2787 _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' . . 2787 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 2787 _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 . . . . . . . . . . . . . . . . 2787 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 2787 _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 2787 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 2787 _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 . 2787 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 3 3 CYS H H 1 9.25 . . 1 . . . . . . . . 2787 1 2 . 1 1 3 3 CYS HA H 1 5.21 . . 1 . . . . . . . . 2787 1 3 . 1 1 3 3 CYS HB2 H 1 2.67 . . 2 . . . . . . . . 2787 1 4 . 1 1 3 3 CYS HB3 H 1 2.78 . . 2 . . . . . . . . 2787 1 5 . 1 1 4 4 ASN H H 1 9.59 . . 1 . . . . . . . . 2787 1 6 . 1 1 4 4 ASN HA H 1 5.44 . . 1 . . . . . . . . 2787 1 7 . 1 1 4 4 ASN HB2 H 1 2.66 . . 2 . . . . . . . . 2787 1 8 . 1 1 4 4 ASN HB3 H 1 2.19 . . 2 . . . . . . . . 2787 1 9 . 1 1 4 4 ASN HD21 H 1 7.83 . . 1 . . . . . . . . 2787 1 10 . 1 1 4 4 ASN HD22 H 1 7.83 . . 1 . . . . . . . . 2787 1 11 . 1 1 5 5 GLN H H 1 7.91 . . 1 . . . . . . . . 2787 1 12 . 1 1 5 5 GLN HA H 1 4.84 . . 1 . . . . . . . . 2787 1 13 . 1 1 5 5 GLN HB2 H 1 2.5 . . 2 . . . . . . . . 2787 1 14 . 1 1 5 5 GLN HB3 H 1 2.79 . . 2 . . . . . . . . 2787 1 15 . 1 1 6 6 LEU H H 1 8.28 . . 1 . . . . . . . . 2787 1 16 . 1 1 6 6 LEU HA H 1 4.11 . . 1 . . . . . . . . 2787 1 17 . 1 1 6 6 LEU HB2 H 1 1.44 . . 2 . . . . . . . . 2787 1 18 . 1 1 6 6 LEU HB3 H 1 1.6 . . 2 . . . . . . . . 2787 1 19 . 1 1 6 6 LEU HG H 1 1.71 . . 1 . . . . . . . . 2787 1 20 . 1 1 6 6 LEU HD11 H 1 .84 . . 2 . . . . . . . . 2787 1 21 . 1 1 6 6 LEU HD12 H 1 .84 . . 2 . . . . . . . . 2787 1 22 . 1 1 6 6 LEU HD13 H 1 .84 . . 2 . . . . . . . . 2787 1 23 . 1 1 6 6 LEU HD21 H 1 .95 . . 2 . . . . . . . . 2787 1 24 . 1 1 6 6 LEU HD22 H 1 .95 . . 2 . . . . . . . . 2787 1 25 . 1 1 6 6 LEU HD23 H 1 .95 . . 2 . . . . . . . . 2787 1 26 . 1 1 7 7 ILE H H 1 7.79 . . 1 . . . . . . . . 2787 1 27 . 1 1 7 7 ILE HA H 1 4.19 . . 1 . . . . . . . . 2787 1 28 . 1 1 7 7 ILE HB H 1 1.53 . . 1 . . . . . . . . 2787 1 29 . 1 1 7 7 ILE HG12 H 1 1.48 . . 2 . . . . . . . . 2787 1 30 . 1 1 7 7 ILE HG13 H 1 1.64 . . 2 . . . . . . . . 2787 1 31 . 1 1 7 7 ILE HG21 H 1 .75 . . 1 . . . . . . . . 2787 1 32 . 1 1 7 7 ILE HG22 H 1 .75 . . 1 . . . . . . . . 2787 1 33 . 1 1 7 7 ILE HG23 H 1 .75 . . 1 . . . . . . . . 2787 1 34 . 1 1 7 7 ILE HD11 H 1 .83 . . 1 . . . . . . . . 2787 1 35 . 1 1 7 7 ILE HD12 H 1 .83 . . 1 . . . . . . . . 2787 1 36 . 1 1 7 7 ILE HD13 H 1 .83 . . 1 . . . . . . . . 2787 1 37 . 1 1 9 9 PRO HA H 1 4.73 . . 1 . . . . . . . . 2787 1 38 . 1 1 9 9 PRO HB2 H 1 1.76 . . 2 . . . . . . . . 2787 1 39 . 1 1 9 9 PRO HB3 H 1 1.9 . . 2 . . . . . . . . 2787 1 40 . 1 1 10 10 PHE H H 1 8.78 . . 1 . . . . . . . . 2787 1 41 . 1 1 10 10 PHE HA H 1 4.11 . . 1 . . . . . . . . 2787 1 42 . 1 1 10 10 PHE HB2 H 1 3.7 . . 1 . . . . . . . . 2787 1 43 . 1 1 10 10 PHE HB3 H 1 3.7 . . 1 . . . . . . . . 2787 1 44 . 1 1 10 10 PHE HD1 H 1 7.36 . . 1 . . . . . . . . 2787 1 45 . 1 1 10 10 PHE HD2 H 1 7.36 . . 1 . . . . . . . . 2787 1 46 . 1 1 10 10 PHE HE1 H 1 7.12 . . 1 . . . . . . . . 2787 1 47 . 1 1 10 10 PHE HE2 H 1 7.12 . . 1 . . . . . . . . 2787 1 48 . 1 1 10 10 PHE HZ H 1 7.21 . . 1 . . . . . . . . 2787 1 49 . 1 1 11 11 TRP H H 1 8.61 . . 1 . . . . . . . . 2787 1 50 . 1 1 11 11 TRP HA H 1 5.57 . . 1 . . . . . . . . 2787 1 51 . 1 1 11 11 TRP HB2 H 1 3.48 . . 2 . . . . . . . . 2787 1 52 . 1 1 11 11 TRP HB3 H 1 3 . . 2 . . . . . . . . 2787 1 53 . 1 1 11 11 TRP HD1 H 1 7.3 . . 1 . . . . . . . . 2787 1 54 . 1 1 11 11 TRP HE3 H 1 7.36 . . 1 . . . . . . . . 2787 1 55 . 1 1 11 11 TRP HZ2 H 1 7.5 . . 1 . . . . . . . . 2787 1 56 . 1 1 11 11 TRP HZ3 H 1 7.12 . . 1 . . . . . . . . 2787 1 57 . 1 1 11 11 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 2787 1 58 . 1 1 12 12 LYS H H 1 8.8 . . 1 . . . . . . . . 2787 1 59 . 1 1 12 12 LYS HA H 1 5.21 . . 1 . . . . . . . . 2787 1 60 . 1 1 12 12 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 2787 1 61 . 1 1 12 12 LYS HB3 H 1 2.18 . . 2 . . . . . . . . 2787 1 62 . 1 1 13 13 THR H H 1 8.66 . . 1 . . . . . . . . 2787 1 63 . 1 1 13 13 THR HA H 1 4.79 . . 1 . . . . . . . . 2787 1 64 . 1 1 13 13 THR HB H 1 4.06 . . 1 . . . . . . . . 2787 1 65 . 1 1 13 13 THR HG21 H 1 1.29 . . 1 . . . . . . . . 2787 1 66 . 1 1 13 13 THR HG22 H 1 1.29 . . 1 . . . . . . . . 2787 1 67 . 1 1 13 13 THR HG23 H 1 1.29 . . 1 . . . . . . . . 2787 1 68 . 1 1 14 14 CYS H H 1 9.09 . . 1 . . . . . . . . 2787 1 69 . 1 1 14 14 CYS HA H 1 4.97 . . 1 . . . . . . . . 2787 1 70 . 1 1 14 14 CYS HB2 H 1 2.77 . . 2 . . . . . . . . 2787 1 71 . 1 1 14 14 CYS HB3 H 1 3.48 . . 2 . . . . . . . . 2787 1 72 . 1 1 16 16 LYS H H 1 7.53 . . 1 . . . . . . . . 2787 1 73 . 1 1 16 16 LYS HA H 1 3.99 . . 1 . . . . . . . . 2787 1 74 . 1 1 16 16 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 2787 1 75 . 1 1 16 16 LYS HB3 H 1 1.67 . . 1 . . . . . . . . 2787 1 76 . 1 1 17 17 GLY H H 1 8.72 . . 1 . . . . . . . . 2787 1 77 . 1 1 17 17 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 2787 1 78 . 1 1 17 17 GLY HA3 H 1 4.27 . . 2 . . . . . . . . 2787 1 79 . 1 1 18 18 LYS H H 1 7.58 . . 1 . . . . . . . . 2787 1 80 . 1 1 18 18 LYS HA H 1 4.29 . . 1 . . . . . . . . 2787 1 81 . 1 1 18 18 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 2787 1 82 . 1 1 18 18 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 2787 1 83 . 1 1 19 19 ASN H H 1 7.88 . . 1 . . . . . . . . 2787 1 84 . 1 1 19 19 ASN HA H 1 4.9 . . 1 . . . . . . . . 2787 1 85 . 1 1 19 19 ASN HB2 H 1 2.21 . . 2 . . . . . . . . 2787 1 86 . 1 1 19 19 ASN HB3 H 1 2.46 . . 2 . . . . . . . . 2787 1 87 . 1 1 19 19 ASN HD21 H 1 8.66 . . 1 . . . . . . . . 2787 1 88 . 1 1 19 19 ASN HD22 H 1 8.66 . . 1 . . . . . . . . 2787 1 89 . 1 1 20 20 LEU H H 1 8.11 . . 1 . . . . . . . . 2787 1 90 . 1 1 20 20 LEU HA H 1 4.79 . . 1 . . . . . . . . 2787 1 91 . 1 1 20 20 LEU HB2 H 1 2.05 . . 1 . . . . . . . . 2787 1 92 . 1 1 20 20 LEU HB3 H 1 2.05 . . 1 . . . . . . . . 2787 1 93 . 1 1 20 20 LEU HG H 1 1.84 . . 1 . . . . . . . . 2787 1 94 . 1 1 20 20 LEU HD11 H 1 .95 . . 1 . . . . . . . . 2787 1 95 . 1 1 20 20 LEU HD12 H 1 .95 . . 1 . . . . . . . . 2787 1 96 . 1 1 20 20 LEU HD13 H 1 .95 . . 1 . . . . . . . . 2787 1 97 . 1 1 20 20 LEU HD21 H 1 .95 . . 1 . . . . . . . . 2787 1 98 . 1 1 20 20 LEU HD22 H 1 .95 . . 1 . . . . . . . . 2787 1 99 . 1 1 20 20 LEU HD23 H 1 .95 . . 1 . . . . . . . . 2787 1 100 . 1 1 21 21 CYS H H 1 8.96 . . 1 . . . . . . . . 2787 1 101 . 1 1 21 21 CYS HA H 1 6.06 . . 1 . . . . . . . . 2787 1 102 . 1 1 21 21 CYS HB2 H 1 2.98 . . 2 . . . . . . . . 2787 1 103 . 1 1 21 21 CYS HB3 H 1 3.07 . . 2 . . . . . . . . 2787 1 104 . 1 1 22 22 TYR H H 1 9.18 . . 1 . . . . . . . . 2787 1 105 . 1 1 22 22 TYR HA H 1 6.2 . . 1 . . . . . . . . 2787 1 106 . 1 1 22 22 TYR HB2 H 1 3.04 . . 2 . . . . . . . . 2787 1 107 . 1 1 22 22 TYR HB3 H 1 3.19 . . 2 . . . . . . . . 2787 1 108 . 1 1 22 22 TYR HD1 H 1 6.76 . . 1 . . . . . . . . 2787 1 109 . 1 1 22 22 TYR HD2 H 1 6.76 . . 1 . . . . . . . . 2787 1 110 . 1 1 22 22 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 2787 1 111 . 1 1 22 22 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 2787 1 112 . 1 1 23 23 LYS H H 1 9.25 . . 1 . . . . . . . . 2787 1 113 . 1 1 23 23 LYS HA H 1 4.79 . . 1 . . . . . . . . 2787 1 114 . 1 1 23 23 LYS HB2 H 1 1.33 . . 2 . . . . . . . . 2787 1 115 . 1 1 23 23 LYS HB3 H 1 1.63 . . 2 . . . . . . . . 2787 1 116 . 1 1 24 24 MET H H 1 8.56 . . 1 . . . . . . . . 2787 1 117 . 1 1 24 24 MET HA H 1 5.27 . . 1 . . . . . . . . 2787 1 118 . 1 1 24 24 MET HB2 H 1 1.69 . . 2 . . . . . . . . 2787 1 119 . 1 1 24 24 MET HB3 H 1 1.91 . . 2 . . . . . . . . 2787 1 120 . 1 1 25 25 THR H H 1 9.02 . . 1 . . . . . . . . 2787 1 121 . 1 1 25 25 THR HA H 1 4.68 . . 1 . . . . . . . . 2787 1 122 . 1 1 25 25 THR HB H 1 4.07 . . 1 . . . . . . . . 2787 1 123 . 1 1 25 25 THR HG21 H 1 1.04 . . 1 . . . . . . . . 2787 1 124 . 1 1 25 25 THR HG22 H 1 1.04 . . 1 . . . . . . . . 2787 1 125 . 1 1 25 25 THR HG23 H 1 1.04 . . 1 . . . . . . . . 2787 1 126 . 1 1 26 26 MET H H 1 8.75 . . 1 . . . . . . . . 2787 1 127 . 1 1 26 26 MET HA H 1 5.06 . . 1 . . . . . . . . 2787 1 128 . 1 1 26 26 MET HB2 H 1 1.85 . . 2 . . . . . . . . 2787 1 129 . 1 1 26 26 MET HB3 H 1 2.12 . . 2 . . . . . . . . 2787 1 130 . 1 1 27 27 ARG H H 1 8.4 . . 1 . . . . . . . . 2787 1 131 . 1 1 27 27 ARG HA H 1 4.09 . . 1 . . . . . . . . 2787 1 132 . 1 1 27 27 ARG HB2 H 1 1.8 . . 2 . . . . . . . . 2787 1 133 . 1 1 27 27 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 2787 1 134 . 1 1 28 28 GLY H H 1 8.56 . . 1 . . . . . . . . 2787 1 135 . 1 1 28 28 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 2787 1 136 . 1 1 28 28 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 2787 1 137 . 1 1 29 29 ALA H H 1 7.98 . . 1 . . . . . . . . 2787 1 138 . 1 1 29 29 ALA HA H 1 4.63 . . 1 . . . . . . . . 2787 1 139 . 1 1 29 29 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 2787 1 140 . 1 1 29 29 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 2787 1 141 . 1 1 29 29 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 2787 1 142 . 1 1 30 30 SER H H 1 7.52 . . 1 . . . . . . . . 2787 1 143 . 1 1 30 30 SER HA H 1 4.94 . . 1 . . . . . . . . 2787 1 144 . 1 1 30 30 SER HB2 H 1 4.39 . . 2 . . . . . . . . 2787 1 145 . 1 1 30 30 SER HB3 H 1 3.94 . . 2 . . . . . . . . 2787 1 146 . 1 1 31 31 LYS H H 1 9.59 . . 1 . . . . . . . . 2787 1 147 . 1 1 31 31 LYS HA H 1 3.49 . . 1 . . . . . . . . 2787 1 148 . 1 1 31 31 LYS HB2 H 1 2.22 . . 1 . . . . . . . . 2787 1 149 . 1 1 31 31 LYS HB3 H 1 2.22 . . 1 . . . . . . . . 2787 1 150 . 1 1 32 32 VAL H H 1 8.97 . . 1 . . . . . . . . 2787 1 151 . 1 1 32 32 VAL HA H 1 4.35 . . 1 . . . . . . . . 2787 1 152 . 1 1 32 32 VAL HB H 1 1.52 . . 1 . . . . . . . . 2787 1 153 . 1 1 32 32 VAL HG11 H 1 .69 . . 2 . . . . . . . . 2787 1 154 . 1 1 32 32 VAL HG12 H 1 .69 . . 2 . . . . . . . . 2787 1 155 . 1 1 32 32 VAL HG13 H 1 .69 . . 2 . . . . . . . . 2787 1 156 . 1 1 32 32 VAL HG21 H 1 .71 . . 2 . . . . . . . . 2787 1 157 . 1 1 32 32 VAL HG22 H 1 .71 . . 2 . . . . . . . . 2787 1 158 . 1 1 32 32 VAL HG23 H 1 .71 . . 2 . . . . . . . . 2787 1 159 . 1 1 33 33 PRO HA H 1 4 . . 1 . . . . . . . . 2787 1 160 . 1 1 33 33 PRO HB2 H 1 1.34 . . 2 . . . . . . . . 2787 1 161 . 1 1 33 33 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 2787 1 162 . 1 1 34 34 VAL H H 1 7.61 . . 1 . . . . . . . . 2787 1 163 . 1 1 34 34 VAL HA H 1 4.01 . . 1 . . . . . . . . 2787 1 164 . 1 1 34 34 VAL HB H 1 1.7 . . 1 . . . . . . . . 2787 1 165 . 1 1 34 34 VAL HG11 H 1 .7 . . 2 . . . . . . . . 2787 1 166 . 1 1 34 34 VAL HG12 H 1 .7 . . 2 . . . . . . . . 2787 1 167 . 1 1 34 34 VAL HG13 H 1 .7 . . 2 . . . . . . . . 2787 1 168 . 1 1 34 34 VAL HG21 H 1 .74 . . 2 . . . . . . . . 2787 1 169 . 1 1 34 34 VAL HG22 H 1 .74 . . 2 . . . . . . . . 2787 1 170 . 1 1 34 34 VAL HG23 H 1 .74 . . 2 . . . . . . . . 2787 1 171 . 1 1 35 35 LYS H H 1 8.28 . . 1 . . . . . . . . 2787 1 172 . 1 1 35 35 LYS HA H 1 4.03 . . 1 . . . . . . . . 2787 1 173 . 1 1 35 35 LYS HB2 H 1 1.66 . . 2 . . . . . . . . 2787 1 174 . 1 1 35 35 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 2787 1 175 . 1 1 36 36 ARG H H 1 7.99 . . 1 . . . . . . . . 2787 1 176 . 1 1 36 36 ARG HA H 1 4.24 . . 1 . . . . . . . . 2787 1 177 . 1 1 36 36 ARG HB2 H 1 1.79 . . 1 . . . . . . . . 2787 1 178 . 1 1 36 36 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 2787 1 179 . 1 1 37 37 GLY H H 1 8.46 . . 1 . . . . . . . . 2787 1 180 . 1 1 37 37 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 2787 1 181 . 1 1 37 37 GLY HA3 H 1 4.33 . . 2 . . . . . . . . 2787 1 182 . 1 1 38 38 CYS H H 1 8.85 . . 1 . . . . . . . . 2787 1 183 . 1 1 38 38 CYS HA H 1 5.94 . . 1 . . . . . . . . 2787 1 184 . 1 1 38 38 CYS HB2 H 1 2.91 . . 2 . . . . . . . . 2787 1 185 . 1 1 38 38 CYS HB3 H 1 3.55 . . 2 . . . . . . . . 2787 1 186 . 1 1 39 39 ILE H H 1 9.74 . . 1 . . . . . . . . 2787 1 187 . 1 1 39 39 ILE HA H 1 4.37 . . 1 . . . . . . . . 2787 1 188 . 1 1 39 39 ILE HB H 1 1.66 . . 1 . . . . . . . . 2787 1 189 . 1 1 39 39 ILE HG12 H 1 1.35 . . 2 . . . . . . . . 2787 1 190 . 1 1 39 39 ILE HG13 H 1 1.56 . . 2 . . . . . . . . 2787 1 191 . 1 1 39 39 ILE HG21 H 1 .49 . . 1 . . . . . . . . 2787 1 192 . 1 1 39 39 ILE HG22 H 1 .49 . . 1 . . . . . . . . 2787 1 193 . 1 1 39 39 ILE HG23 H 1 .49 . . 1 . . . . . . . . 2787 1 194 . 1 1 39 39 ILE HD11 H 1 .31 . . 1 . . . . . . . . 2787 1 195 . 1 1 39 39 ILE HD12 H 1 .31 . . 1 . . . . . . . . 2787 1 196 . 1 1 39 39 ILE HD13 H 1 .31 . . 1 . . . . . . . . 2787 1 197 . 1 1 40 40 ASP H H 1 8.56 . . 1 . . . . . . . . 2787 1 198 . 1 1 40 40 ASP HA H 1 5.16 . . 1 . . . . . . . . 2787 1 199 . 1 1 40 40 ASP HB2 H 1 2.45 . . 2 . . . . . . . . 2787 1 200 . 1 1 40 40 ASP HB3 H 1 3 . . 2 . . . . . . . . 2787 1 201 . 1 1 41 41 VAL H H 1 7.47 . . 1 . . . . . . . . 2787 1 202 . 1 1 41 41 VAL HA H 1 4.35 . . 1 . . . . . . . . 2787 1 203 . 1 1 41 41 VAL HB H 1 2.06 . . 1 . . . . . . . . 2787 1 204 . 1 1 41 41 VAL HG11 H 1 .88 . . 2 . . . . . . . . 2787 1 205 . 1 1 41 41 VAL HG12 H 1 .88 . . 2 . . . . . . . . 2787 1 206 . 1 1 41 41 VAL HG13 H 1 .88 . . 2 . . . . . . . . 2787 1 207 . 1 1 41 41 VAL HG21 H 1 .89 . . 2 . . . . . . . . 2787 1 208 . 1 1 41 41 VAL HG22 H 1 .89 . . 2 . . . . . . . . 2787 1 209 . 1 1 41 41 VAL HG23 H 1 .89 . . 2 . . . . . . . . 2787 1 210 . 1 1 42 42 CYS H H 1 8.37 . . 1 . . . . . . . . 2787 1 211 . 1 1 42 42 CYS HA H 1 4.33 . . 1 . . . . . . . . 2787 1 212 . 1 1 42 42 CYS HB2 H 1 2.21 . . 2 . . . . . . . . 2787 1 213 . 1 1 42 42 CYS HB3 H 1 2.71 . . 2 . . . . . . . . 2787 1 214 . 1 1 43 43 PRO HA H 1 4.25 . . 1 . . . . . . . . 2787 1 215 . 1 1 43 43 PRO HB2 H 1 1.65 . . 1 . . . . . . . . 2787 1 216 . 1 1 43 43 PRO HB3 H 1 1.65 . . 1 . . . . . . . . 2787 1 217 . 1 1 44 44 LYS H H 1 8.7 . . 1 . . . . . . . . 2787 1 218 . 1 1 44 44 LYS HA H 1 4.51 . . 1 . . . . . . . . 2787 1 219 . 1 1 44 44 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 2787 1 220 . 1 1 44 44 LYS HB3 H 1 2.05 . . 2 . . . . . . . . 2787 1 221 . 1 1 45 45 SER H H 1 8.67 . . 1 . . . . . . . . 2787 1 222 . 1 1 45 45 SER HA H 1 4.84 . . 1 . . . . . . . . 2787 1 223 . 1 1 45 45 SER HB2 H 1 4.43 . . 2 . . . . . . . . 2787 1 224 . 1 1 45 45 SER HB3 H 1 4.04 . . 2 . . . . . . . . 2787 1 225 . 1 1 46 46 SER H H 1 9.06 . . 1 . . . . . . . . 2787 1 226 . 1 1 46 46 SER HA H 1 4.26 . . 1 . . . . . . . . 2787 1 227 . 1 1 46 46 SER HB2 H 1 3.92 . . 2 . . . . . . . . 2787 1 228 . 1 1 46 46 SER HB3 H 1 3.85 . . 2 . . . . . . . . 2787 1 229 . 1 1 47 47 LEU H H 1 8.11 . . 1 . . . . . . . . 2787 1 230 . 1 1 47 47 LEU HA H 1 4.29 . . 1 . . . . . . . . 2787 1 231 . 1 1 47 47 LEU HB2 H 1 1.74 . . 2 . . . . . . . . 2787 1 232 . 1 1 47 47 LEU HB3 H 1 1.95 . . 2 . . . . . . . . 2787 1 233 . 1 1 48 48 LEU H H 1 8.32 . . 1 . . . . . . . . 2787 1 234 . 1 1 48 48 LEU HA H 1 4.23 . . 1 . . . . . . . . 2787 1 235 . 1 1 48 48 LEU HB2 H 1 1.36 . . 2 . . . . . . . . 2787 1 236 . 1 1 48 48 LEU HB3 H 1 1.72 . . 2 . . . . . . . . 2787 1 237 . 1 1 48 48 LEU HG H 1 1.43 . . 1 . . . . . . . . 2787 1 238 . 1 1 48 48 LEU HD11 H 1 .83 . . 2 . . . . . . . . 2787 1 239 . 1 1 48 48 LEU HD12 H 1 .83 . . 2 . . . . . . . . 2787 1 240 . 1 1 48 48 LEU HD13 H 1 .83 . . 2 . . . . . . . . 2787 1 241 . 1 1 48 48 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 2787 1 242 . 1 1 48 48 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 2787 1 243 . 1 1 48 48 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 2787 1 244 . 1 1 49 49 ILE H H 1 7.86 . . 1 . . . . . . . . 2787 1 245 . 1 1 49 49 ILE HA H 1 4.43 . . 1 . . . . . . . . 2787 1 246 . 1 1 49 49 ILE HB H 1 1.66 . . 1 . . . . . . . . 2787 1 247 . 1 1 49 49 ILE HG12 H 1 1.04 . . 2 . . . . . . . . 2787 1 248 . 1 1 49 49 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 2787 1 249 . 1 1 49 49 ILE HG21 H 1 .89 . . 1 . . . . . . . . 2787 1 250 . 1 1 49 49 ILE HG22 H 1 .89 . . 1 . . . . . . . . 2787 1 251 . 1 1 49 49 ILE HG23 H 1 .89 . . 1 . . . . . . . . 2787 1 252 . 1 1 49 49 ILE HD11 H 1 .81 . . 1 . . . . . . . . 2787 1 253 . 1 1 49 49 ILE HD12 H 1 .81 . . 1 . . . . . . . . 2787 1 254 . 1 1 49 49 ILE HD13 H 1 .81 . . 1 . . . . . . . . 2787 1 255 . 1 1 50 50 LYS H H 1 9.43 . . 1 . . . . . . . . 2787 1 256 . 1 1 50 50 LYS HA H 1 4.91 . . 1 . . . . . . . . 2787 1 257 . 1 1 50 50 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 2787 1 258 . 1 1 50 50 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 2787 1 259 . 1 1 51 51 TYR H H 1 7.26 . . 1 . . . . . . . . 2787 1 260 . 1 1 51 51 TYR HA H 1 4.51 . . 1 . . . . . . . . 2787 1 261 . 1 1 51 51 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 2787 1 262 . 1 1 51 51 TYR HB3 H 1 3.02 . . 2 . . . . . . . . 2787 1 263 . 1 1 51 51 TYR HD1 H 1 6.83 . . 1 . . . . . . . . 2787 1 264 . 1 1 51 51 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 2787 1 265 . 1 1 51 51 TYR HE1 H 1 6.71 . . 1 . . . . . . . . 2787 1 266 . 1 1 51 51 TYR HE2 H 1 6.71 . . 1 . . . . . . . . 2787 1 267 . 1 1 52 52 MET H H 1 7.45 . . 1 . . . . . . . . 2787 1 268 . 1 1 52 52 MET HA H 1 5.54 . . 1 . . . . . . . . 2787 1 269 . 1 1 52 52 MET HB2 H 1 1.86 . . 2 . . . . . . . . 2787 1 270 . 1 1 52 52 MET HB3 H 1 2.05 . . 2 . . . . . . . . 2787 1 271 . 1 1 53 53 CYS H H 1 9.07 . . 1 . . . . . . . . 2787 1 272 . 1 1 53 53 CYS HA H 1 5.82 . . 1 . . . . . . . . 2787 1 273 . 1 1 53 53 CYS HB2 H 1 2.99 . . 2 . . . . . . . . 2787 1 274 . 1 1 53 53 CYS HB3 H 1 3.76 . . 2 . . . . . . . . 2787 1 275 . 1 1 54 54 CYS H H 1 9.15 . . 1 . . . . . . . . 2787 1 276 . 1 1 54 54 CYS HA H 1 5.08 . . 1 . . . . . . . . 2787 1 277 . 1 1 54 54 CYS HB2 H 1 2.62 . . 2 . . . . . . . . 2787 1 278 . 1 1 54 54 CYS HB3 H 1 3.33 . . 2 . . . . . . . . 2787 1 279 . 1 1 55 55 ASN H H 1 8.55 . . 1 . . . . . . . . 2787 1 280 . 1 1 55 55 ASN HA H 1 4.9 . . 1 . . . . . . . . 2787 1 281 . 1 1 55 55 ASN HB2 H 1 2.62 . . 2 . . . . . . . . 2787 1 282 . 1 1 55 55 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 2787 1 283 . 1 1 56 56 THR H H 1 7.5 . . 1 . . . . . . . . 2787 1 284 . 1 1 56 56 THR HA H 1 4.66 . . 1 . . . . . . . . 2787 1 285 . 1 1 56 56 THR HB H 1 4.23 . . 1 . . . . . . . . 2787 1 286 . 1 1 56 56 THR HG21 H 1 1.17 . . 1 . . . . . . . . 2787 1 287 . 1 1 56 56 THR HG22 H 1 1.17 . . 1 . . . . . . . . 2787 1 288 . 1 1 56 56 THR HG23 H 1 1.17 . . 1 . . . . . . . . 2787 1 289 . 1 1 57 57 ASP H H 1 7.42 . . 1 . . . . . . . . 2787 1 290 . 1 1 57 57 ASP HA H 1 5.06 . . 1 . . . . . . . . 2787 1 291 . 1 1 57 57 ASP HB2 H 1 3.42 . . 2 . . . . . . . . 2787 1 292 . 1 1 57 57 ASP HB3 H 1 3.59 . . 2 . . . . . . . . 2787 1 293 . 1 1 58 58 LYS H H 1 8.45 . . 1 . . . . . . . . 2787 1 294 . 1 1 58 58 LYS HA H 1 4.84 . . 1 . . . . . . . . 2787 1 295 . 1 1 59 59 CYS H H 1 9.43 . . 1 . . . . . . . . 2787 1 296 . 1 1 59 59 CYS HA H 1 5 . . 1 . . . . . . . . 2787 1 297 . 1 1 59 59 CYS HB2 H 1 2.56 . . 2 . . . . . . . . 2787 1 298 . 1 1 59 59 CYS HB3 H 1 2.71 . . 2 . . . . . . . . 2787 1 299 . 1 1 60 60 ASN H H 1 8.28 . . 1 . . . . . . . . 2787 1 300 . 1 1 60 60 ASN HA H 1 4.44 . . 1 . . . . . . . . 2787 1 301 . 1 1 60 60 ASN HB2 H 1 3.33 . . 2 . . . . . . . . 2787 1 302 . 1 1 60 60 ASN HB3 H 1 3.59 . . 2 . . . . . . . . 2787 1 stop_ save_