data_4043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4043 _Entry.Title ; Solution Structure of an Old World-like Neurotoxin from the Venom of the New World Scorpion Centruroides sculpturatus Ewing ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-07-18 _Entry.Accession_date 1997-07-18 _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 Michael Jablonsky . J. . 4043 2 Dean Watt . W. . 4043 3 N. Krishna . Rama . 4043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 406 4043 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-02-26 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4043 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4043 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 95257401 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Jablonsky, M. J., Watt, D. W., and Krishna, N. R., "Solution Structure of an Old World-like Neurotoxin from the Venom of the New World Scorpion Centrurodies Sculpturatus Ewing," J. Mol. Biol. 248, 449-458 (1995). ; _Citation.Title ; Solution Structure of an Old World-like Neurotoxin from the Venom of the New World Scorpion Centrurodies Sculpturatus Ewing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 248 _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 449 _Citation.Page_last 458 _Citation.Year 1995 _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 Michael Jablonsky . J. . 4043 1 2 Dean Watt . W. . 4043 1 3 N. Krishna . Rama . 4043 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID alpha-toxin 4043 1 neurotoxin 4043 1 'New World scorpion Centruroides sculpturatus (CsE)' 4043 1 'New World toxin' 4043 1 NMR 4043 1 'Old World toxin' 4043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CsE-V _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CsE-V _Assembly.Entry_ID 4043 _Assembly.ID 1 _Assembly.Name 'Centruroides sculpturatus Ewing-V' _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 no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; alpha-toxin , CsE-V, venom of the New World scorpion Centruroides sculpturatus Ewing (CsE) ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4043 1 stop_ 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 'Centruroides sculpturatus Ewing-V' 1 $CsE-V . . . native . . . . . 4043 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1nrb . . . . . . 4043 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Centruroides sculpturatus Ewing-V' system 4043 1 CsE-V abbreviation 4043 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'inactivates sodium ion permeability' 4043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CsE-V _Entity.Sf_category entity _Entity.Sf_framecode CsE-V _Entity.Entry_ID 4043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Centruroides_sculpturatus_Ewing-V _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 ; KKDGYPVDSGNCKYECLKDD YCNDLCLERKADKGYCYWGK VSCYCYGLPDNSPTKTSGKC NPA ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NRA . "Solution Structure Of An Old World-Like Neurotoxin From The Venom Of The New World Scorpion Centruroides Sculpturatus Ewing" . . . . . 100.00 63 100.00 100.00 2.87e-35 . . . . 4043 1 2 no PDB 1NRB . "Solution Structure Of An Old World-Like Neurotoxin From The Venom Of The New World Scorpion Centruroides Sculpturatus Ewing" . . . . . 100.00 63 100.00 100.00 2.87e-35 . . . . 4043 1 3 no PIR A23727 . "neurotoxin V - bark scorpion" . . . . . 100.00 63 100.00 100.00 2.87e-35 . . . . 4043 1 4 no SP P46066 . "RecName: Full=Alpha-toxin CsE5; AltName: Full=B140-1; AltName: Full=CsE-V; Short=CsEV; AltName: Full=Neurotoxin V" . . . . . 100.00 63 100.00 100.00 2.87e-35 . . . . 4043 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Centruroides_sculpturatus_Ewing-V common 4043 1 'C. sculpturatus Ewing toxin V+' variant 4043 1 CsE-V abbreviation 4043 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 1 LYS . 4043 1 2 2 LYS . 4043 1 3 3 ASP . 4043 1 4 4 GLY . 4043 1 5 5 TYR . 4043 1 6 6 PRO . 4043 1 7 7 VAL . 4043 1 8 8 ASP . 4043 1 9 9 SER . 4043 1 10 10 GLY . 4043 1 11 11 ASN . 4043 1 12 12 CYS . 4043 1 13 13 LYS . 4043 1 14 14 TYR . 4043 1 15 15 GLU . 4043 1 16 16 CYS . 4043 1 17 17 LEU . 4043 1 18 18 LYS . 4043 1 19 19 ASP . 4043 1 20 20 ASP . 4043 1 21 21 TYR . 4043 1 22 22 CYS . 4043 1 23 23 ASN . 4043 1 24 24 ASP . 4043 1 25 25 LEU . 4043 1 26 26 CYS . 4043 1 27 27 LEU . 4043 1 28 28 GLU . 4043 1 29 29 ARG . 4043 1 30 30 LYS . 4043 1 31 31 ALA . 4043 1 32 32 ASP . 4043 1 33 33 LYS . 4043 1 34 34 GLY . 4043 1 35 35 TYR . 4043 1 36 36 CYS . 4043 1 37 37 TYR . 4043 1 38 38 TRP . 4043 1 39 39 GLY . 4043 1 40 40 LYS . 4043 1 41 41 VAL . 4043 1 42 42 SER . 4043 1 43 43 CYS . 4043 1 44 44 TYR . 4043 1 45 45 CYS . 4043 1 46 46 TYR . 4043 1 47 47 GLY . 4043 1 48 48 LEU . 4043 1 49 49 PRO . 4043 1 50 50 ASP . 4043 1 51 51 ASN . 4043 1 52 52 SER . 4043 1 53 53 PRO . 4043 1 54 54 THR . 4043 1 55 55 LYS . 4043 1 56 56 THR . 4043 1 57 57 SER . 4043 1 58 58 GLY . 4043 1 59 59 LYS . 4043 1 60 60 CYS . 4043 1 61 61 ASN . 4043 1 62 62 PRO . 4043 1 63 63 ALA . 4043 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 4043 1 . LYS 2 2 4043 1 . ASP 3 3 4043 1 . GLY 4 4 4043 1 . TYR 5 5 4043 1 . PRO 6 6 4043 1 . VAL 7 7 4043 1 . ASP 8 8 4043 1 . SER 9 9 4043 1 . GLY 10 10 4043 1 . ASN 11 11 4043 1 . CYS 12 12 4043 1 . LYS 13 13 4043 1 . TYR 14 14 4043 1 . GLU 15 15 4043 1 . CYS 16 16 4043 1 . LEU 17 17 4043 1 . LYS 18 18 4043 1 . ASP 19 19 4043 1 . ASP 20 20 4043 1 . TYR 21 21 4043 1 . CYS 22 22 4043 1 . ASN 23 23 4043 1 . ASP 24 24 4043 1 . LEU 25 25 4043 1 . CYS 26 26 4043 1 . LEU 27 27 4043 1 . GLU 28 28 4043 1 . ARG 29 29 4043 1 . LYS 30 30 4043 1 . ALA 31 31 4043 1 . ASP 32 32 4043 1 . LYS 33 33 4043 1 . GLY 34 34 4043 1 . TYR 35 35 4043 1 . CYS 36 36 4043 1 . TYR 37 37 4043 1 . TRP 38 38 4043 1 . GLY 39 39 4043 1 . LYS 40 40 4043 1 . VAL 41 41 4043 1 . SER 42 42 4043 1 . CYS 43 43 4043 1 . TYR 44 44 4043 1 . CYS 45 45 4043 1 . TYR 46 46 4043 1 . GLY 47 47 4043 1 . LEU 48 48 4043 1 . PRO 49 49 4043 1 . ASP 50 50 4043 1 . ASN 51 51 4043 1 . SER 52 52 4043 1 . PRO 53 53 4043 1 . THR 54 54 4043 1 . LYS 55 55 4043 1 . THR 56 56 4043 1 . SER 57 57 4043 1 . GLY 58 58 4043 1 . LYS 59 59 4043 1 . CYS 60 60 4043 1 . ASN 61 61 4043 1 . PRO 62 62 4043 1 . ALA 63 63 4043 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 4043 _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 $CsE-V . 6879 . . 'Centruroides sculpturatus' 'C. sculpturatus' . . Eukaryota Metazoa Centruroides sculpturatus Ewing . . . . . . . . . . . . . . . . . ; The organism is also known as a New World scorpion The isolation and purification of the CsE-V neurotoxin has been described elsewhere: Watt, D.D., Simard, J. M., Babin, D. R. and Mlejnek, R.V. "Physiological characterization of toxins isolated from scorpion venom." Toxins: Animal, Plant and Microbial(Rosenberg, P., ed.) Pergamon Press, New York. (1978). ; . . 4043 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 4043 _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 $CsE-V . 'purified from the native source' 'Centruroides sculpturatus' 'C. sculpturatus' . . Centruroides sculpturatus Ewing . . . . . . . . . . . . . . . . . . . . . . 4043 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4043 _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 Centruroides_sculpturatus_Ewing-V . . . 1 $CsE-V . . .5 . . mM . . . . 4043 1 2 H2O . . . . . . . 90 . . % . . . . 4043 1 3 D2O . . . . . . . 10 . . % . . . . 4043 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4043 _Sample.ID 2 _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 Centruroides_sculpturatus_Ewing-V . . . 1 $CsE-V . . .3 . . mM . . . . 4043 2 2 D2O . . . . . . . 99.996 . . % . . . . 4043 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4043 _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 4.1 . n/a 4043 1 temperature 303 . K 4043 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4043 _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 NMR_spectrometer_one Bruker AM . 600 . . . 4043 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 4043 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4043 _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 1 TSP 'methyl protons' . . . . ppm 0 external . . . . . . . . . . . 4043 1 N 15 TSP 'methyl protons' . . . . ppm 0 external . . . . . . . . . . . 4043 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 . 4043 1 . . 2 $sample_two . 4043 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 4.14 . . 1 . . . . . . . . 4043 1 2 . 1 1 1 1 LYS HB2 H 1 1.67 . . 2 . . . . . . . . 4043 1 3 . 1 1 1 1 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 4043 1 4 . 1 1 1 1 LYS HG2 H 1 1.27 . . 2 . . . . . . . . 4043 1 5 . 1 1 1 1 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 4043 1 6 . 1 1 2 2 LYS H H 1 9.22 . . 1 . . . . . . . . 4043 1 7 . 1 1 2 2 LYS HA H 1 4.77 . . 1 . . . . . . . . 4043 1 8 . 1 1 2 2 LYS HB2 H 1 1.69 . . 2 . . . . . . . . 4043 1 9 . 1 1 2 2 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 4043 1 10 . 1 1 2 2 LYS HG2 H 1 0.71 . . 2 . . . . . . . . 4043 1 11 . 1 1 2 2 LYS HG3 H 1 1.05 . . 2 . . . . . . . . 4043 1 12 . 1 1 2 2 LYS HD2 H 1 1.48 . . 2 . . . . . . . . 4043 1 13 . 1 1 2 2 LYS HD3 H 1 1.57 . . 2 . . . . . . . . 4043 1 14 . 1 1 2 2 LYS HE2 H 1 2.56 . . 2 . . . . . . . . 4043 1 15 . 1 1 2 2 LYS HE3 H 1 3.10 . . 2 . . . . . . . . 4043 1 16 . 1 1 2 2 LYS HZ1 H 1 7.11 . . 1 . . . . . . . . 4043 1 17 . 1 1 2 2 LYS HZ2 H 1 7.11 . . 1 . . . . . . . . 4043 1 18 . 1 1 2 2 LYS HZ3 H 1 7.11 . . 1 . . . . . . . . 4043 1 19 . 1 1 3 3 ASP H H 1 8.33 . . 1 . . . . . . . . 4043 1 20 . 1 1 3 3 ASP HA H 1 5.22 . . 1 . . . . . . . . 4043 1 21 . 1 1 3 3 ASP HB2 H 1 2.44 . . 2 . . . . . . . . 4043 1 22 . 1 1 3 3 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4043 1 23 . 1 1 4 4 GLY H H 1 7.77 . . 1 . . . . . . . . 4043 1 24 . 1 1 4 4 GLY HA2 H 1 3.30 . . 2 . . . . . . . . 4043 1 25 . 1 1 4 4 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4043 1 26 . 1 1 5 5 TYR H H 1 8.59 . . 1 . . . . . . . . 4043 1 27 . 1 1 5 5 TYR HA H 1 5.05 . . 1 . . . . . . . . 4043 1 28 . 1 1 5 5 TYR HB2 H 1 2.83 . . 2 . . . . . . . . 4043 1 29 . 1 1 5 5 TYR HB3 H 1 2.89 . . 2 . . . . . . . . 4043 1 30 . 1 1 5 5 TYR HD1 H 1 7.43 . . 1 . . . . . . . . 4043 1 31 . 1 1 5 5 TYR HD2 H 1 7.43 . . 1 . . . . . . . . 4043 1 32 . 1 1 5 5 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 4043 1 33 . 1 1 5 5 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 4043 1 34 . 1 1 6 6 PRO HA H 1 4.69 . . 1 . . . . . . . . 4043 1 35 . 1 1 6 6 PRO HB2 H 1 1.89 . . 2 . . . . . . . . 4043 1 36 . 1 1 6 6 PRO HB3 H 1 2.07 . . 2 . . . . . . . . 4043 1 37 . 1 1 6 6 PRO HG2 H 1 1.67 . . 2 . . . . . . . . 4043 1 38 . 1 1 6 6 PRO HG3 H 1 1.98 . . 2 . . . . . . . . 4043 1 39 . 1 1 6 6 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 4043 1 40 . 1 1 6 6 PRO HD3 H 1 4.42 . . 2 . . . . . . . . 4043 1 41 . 1 1 7 7 VAL H H 1 6.93 . . 1 . . . . . . . . 4043 1 42 . 1 1 7 7 VAL HA H 1 5.06 . . 1 . . . . . . . . 4043 1 43 . 1 1 7 7 VAL HB H 1 1.87 . . 1 . . . . . . . . 4043 1 44 . 1 1 7 7 VAL HG11 H 1 0.48 . . 2 . . . . . . . . 4043 1 45 . 1 1 7 7 VAL HG12 H 1 0.48 . . 2 . . . . . . . . 4043 1 46 . 1 1 7 7 VAL HG13 H 1 0.48 . . 2 . . . . . . . . 4043 1 47 . 1 1 7 7 VAL HG21 H 1 0.59 . . 2 . . . . . . . . 4043 1 48 . 1 1 7 7 VAL HG22 H 1 0.59 . . 2 . . . . . . . . 4043 1 49 . 1 1 7 7 VAL HG23 H 1 0.59 . . 2 . . . . . . . . 4043 1 50 . 1 1 8 8 ASP H H 1 7.87 . . 1 . . . . . . . . 4043 1 51 . 1 1 8 8 ASP HA H 1 4.71 . . 1 . . . . . . . . 4043 1 52 . 1 1 8 8 ASP HB2 H 1 2.47 . . 2 . . . . . . . . 4043 1 53 . 1 1 8 8 ASP HB3 H 1 3.27 . . 2 . . . . . . . . 4043 1 54 . 1 1 9 9 SER H H 1 8.20 . . 1 . . . . . . . . 4043 1 55 . 1 1 9 9 SER HA H 1 4.18 . . 1 . . . . . . . . 4043 1 56 . 1 1 9 9 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4043 1 57 . 1 1 9 9 SER HB3 H 1 3.97 . . 2 . . . . . . . . 4043 1 58 . 1 1 10 10 GLY H H 1 8.33 . . 1 . . . . . . . . 4043 1 59 . 1 1 10 10 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 4043 1 60 . 1 1 10 10 GLY HA3 H 1 4.44 . . 2 . . . . . . . . 4043 1 61 . 1 1 11 11 ASN H H 1 8.02 . . 1 . . . . . . . . 4043 1 62 . 1 1 11 11 ASN HA H 1 4.05 . . 1 . . . . . . . . 4043 1 63 . 1 1 11 11 ASN HB2 H 1 2.35 . . 2 . . . . . . . . 4043 1 64 . 1 1 11 11 ASN HB3 H 1 3.73 . . 2 . . . . . . . . 4043 1 65 . 1 1 11 11 ASN HD21 H 1 6.30 . . 2 . . . . . . . . 4043 1 66 . 1 1 11 11 ASN HD22 H 1 6.40 . . 2 . . . . . . . . 4043 1 67 . 1 1 12 12 CYS H H 1 8.08 . . 1 . . . . . . . . 4043 1 68 . 1 1 12 12 CYS HA H 1 4.70 . . 1 . . . . . . . . 4043 1 69 . 1 1 12 12 CYS HB2 H 1 2.90 . . 2 . . . . . . . . 4043 1 70 . 1 1 12 12 CYS HB3 H 1 3.35 . . 2 . . . . . . . . 4043 1 71 . 1 1 13 13 LYS H H 1 8.22 . . 1 . . . . . . . . 4043 1 72 . 1 1 13 13 LYS HA H 1 4.35 . . 1 . . . . . . . . 4043 1 73 . 1 1 13 13 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4043 1 74 . 1 1 13 13 LYS HB3 H 1 2.12 . . 2 . . . . . . . . 4043 1 75 . 1 1 13 13 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 4043 1 76 . 1 1 13 13 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 4043 1 77 . 1 1 13 13 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4043 1 78 . 1 1 13 13 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4043 1 79 . 1 1 13 13 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4043 1 80 . 1 1 13 13 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4043 1 81 . 1 1 14 14 TYR H H 1 8.87 . . 1 . . . . . . . . 4043 1 82 . 1 1 14 14 TYR HA H 1 4.40 . . 1 . . . . . . . . 4043 1 83 . 1 1 14 14 TYR HB2 H 1 2.49 . . 2 . . . . . . . . 4043 1 84 . 1 1 14 14 TYR HB3 H 1 3.05 . . 2 . . . . . . . . 4043 1 85 . 1 1 14 14 TYR HD1 H 1 7.01 . . 1 . . . . . . . . 4043 1 86 . 1 1 14 14 TYR HD2 H 1 7.01 . . 1 . . . . . . . . 4043 1 87 . 1 1 14 14 TYR HE1 H 1 6.40 . . 1 . . . . . . . . 4043 1 88 . 1 1 14 14 TYR HE2 H 1 6.40 . . 1 . . . . . . . . 4043 1 89 . 1 1 15 15 GLU H H 1 8.41 . . 1 . . . . . . . . 4043 1 90 . 1 1 15 15 GLU HA H 1 4.85 . . 1 . . . . . . . . 4043 1 91 . 1 1 15 15 GLU HB2 H 1 1.97 . . 2 . . . . . . . . 4043 1 92 . 1 1 15 15 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 4043 1 93 . 1 1 15 15 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 4043 1 94 . 1 1 15 15 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 4043 1 95 . 1 1 16 16 CYS H H 1 7.09 . . 1 . . . . . . . . 4043 1 96 . 1 1 16 16 CYS HA H 1 4.78 . . 1 . . . . . . . . 4043 1 97 . 1 1 16 16 CYS HB2 H 1 2.36 . . 2 . . . . . . . . 4043 1 98 . 1 1 16 16 CYS HB3 H 1 3.12 . . 2 . . . . . . . . 4043 1 99 . 1 1 17 17 LEU H H 1 8.58 . . 1 . . . . . . . . 4043 1 100 . 1 1 17 17 LEU HA H 1 4.51 . . 1 . . . . . . . . 4043 1 101 . 1 1 17 17 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4043 1 102 . 1 1 17 17 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 4043 1 103 . 1 1 17 17 LEU HG H 1 1.53 . . 1 . . . . . . . . 4043 1 104 . 1 1 17 17 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 4043 1 105 . 1 1 17 17 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 4043 1 106 . 1 1 17 17 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 4043 1 107 . 1 1 17 17 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 4043 1 108 . 1 1 17 17 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 4043 1 109 . 1 1 17 17 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 4043 1 110 . 1 1 18 18 LYS H H 1 7.54 . . 1 . . . . . . . . 4043 1 111 . 1 1 18 18 LYS HA H 1 4.82 . . 1 . . . . . . . . 4043 1 112 . 1 1 18 18 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 4043 1 113 . 1 1 18 18 LYS HB3 H 1 2.12 . . 2 . . . . . . . . 4043 1 114 . 1 1 18 18 LYS HG2 H 1 1.43 . . 2 . . . . . . . . 4043 1 115 . 1 1 18 18 LYS HG3 H 1 1.48 . . 2 . . . . . . . . 4043 1 116 . 1 1 18 18 LYS HD2 H 1 1.72 . . 2 . . . . . . . . 4043 1 117 . 1 1 18 18 LYS HD3 H 1 1.77 . . 2 . . . . . . . . 4043 1 118 . 1 1 18 18 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4043 1 119 . 1 1 18 18 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4043 1 120 . 1 1 19 19 ASP H H 1 8.88 . . 1 . . . . . . . . 4043 1 121 . 1 1 19 19 ASP HA H 1 4.33 . . 1 . . . . . . . . 4043 1 122 . 1 1 19 19 ASP HB2 H 1 2.78 . . 2 . . . . . . . . 4043 1 123 . 1 1 19 19 ASP HB3 H 1 3.04 . . 2 . . . . . . . . 4043 1 124 . 1 1 20 20 ASP H H 1 8.80 . . 1 . . . . . . . . 4043 1 125 . 1 1 20 20 ASP HA H 1 4.23 . . 1 . . . . . . . . 4043 1 126 . 1 1 20 20 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4043 1 127 . 1 1 20 20 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 4043 1 128 . 1 1 21 21 TYR H H 1 7.25 . . 1 . . . . . . . . 4043 1 129 . 1 1 21 21 TYR HA H 1 4.30 . . 1 . . . . . . . . 4043 1 130 . 1 1 21 21 TYR HB2 H 1 2.98 . . 2 . . . . . . . . 4043 1 131 . 1 1 21 21 TYR HB3 H 1 3.34 . . 2 . . . . . . . . 4043 1 132 . 1 1 21 21 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 4043 1 133 . 1 1 21 21 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 4043 1 134 . 1 1 21 21 TYR HE1 H 1 6.83 . . 1 . . . . . . . . 4043 1 135 . 1 1 21 21 TYR HE2 H 1 6.83 . . 1 . . . . . . . . 4043 1 136 . 1 1 22 22 CYS H H 1 6.88 . . 1 . . . . . . . . 4043 1 137 . 1 1 22 22 CYS HA H 1 4.15 . . 1 . . . . . . . . 4043 1 138 . 1 1 22 22 CYS HB2 H 1 2.40 . . 2 . . . . . . . . 4043 1 139 . 1 1 22 22 CYS HB3 H 1 2.63 . . 2 . . . . . . . . 4043 1 140 . 1 1 23 23 ASN H H 1 9.06 . . 1 . . . . . . . . 4043 1 141 . 1 1 23 23 ASN HA H 1 5.15 . . 1 . . . . . . . . 4043 1 142 . 1 1 23 23 ASN HB2 H 1 2.61 . . 2 . . . . . . . . 4043 1 143 . 1 1 23 23 ASN HB3 H 1 2.75 . . 2 . . . . . . . . 4043 1 144 . 1 1 23 23 ASN HD21 H 1 6.65 . . 2 . . . . . . . . 4043 1 145 . 1 1 23 23 ASN HD22 H 1 7.33 . . 2 . . . . . . . . 4043 1 146 . 1 1 24 24 ASP H H 1 8.05 . . 1 . . . . . . . . 4043 1 147 . 1 1 24 24 ASP HA H 1 4.19 . . 1 . . . . . . . . 4043 1 148 . 1 1 24 24 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4043 1 149 . 1 1 24 24 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4043 1 150 . 1 1 25 25 LEU H H 1 7.52 . . 1 . . . . . . . . 4043 1 151 . 1 1 25 25 LEU HA H 1 3.66 . . 1 . . . . . . . . 4043 1 152 . 1 1 25 25 LEU HB2 H 1 1.11 . . 2 . . . . . . . . 4043 1 153 . 1 1 25 25 LEU HB3 H 1 1.36 . . 2 . . . . . . . . 4043 1 154 . 1 1 25 25 LEU HG H 1 1.02 . . 1 . . . . . . . . 4043 1 155 . 1 1 25 25 LEU HD11 H 1 0.07 . . 2 . . . . . . . . 4043 1 156 . 1 1 25 25 LEU HD12 H 1 0.07 . . 2 . . . . . . . . 4043 1 157 . 1 1 25 25 LEU HD13 H 1 0.07 . . 2 . . . . . . . . 4043 1 158 . 1 1 25 25 LEU HD21 H 1 0.12 . . 2 . . . . . . . . 4043 1 159 . 1 1 25 25 LEU HD22 H 1 0.12 . . 2 . . . . . . . . 4043 1 160 . 1 1 25 25 LEU HD23 H 1 0.12 . . 2 . . . . . . . . 4043 1 161 . 1 1 26 26 CYS H H 1 8.41 . . 1 . . . . . . . . 4043 1 162 . 1 1 26 26 CYS HA H 1 3.90 . . 1 . . . . . . . . 4043 1 163 . 1 1 26 26 CYS HB2 H 1 2.51 . . 2 . . . . . . . . 4043 1 164 . 1 1 26 26 CYS HB3 H 1 2.64 . . 2 . . . . . . . . 4043 1 165 . 1 1 27 27 LEU H H 1 8.78 . . 1 . . . . . . . . 4043 1 166 . 1 1 27 27 LEU HA H 1 3.99 . . 1 . . . . . . . . 4043 1 167 . 1 1 27 27 LEU HB2 H 1 1.42 . . 2 . . . . . . . . 4043 1 168 . 1 1 27 27 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4043 1 169 . 1 1 27 27 LEU HG H 1 1.70 . . 1 . . . . . . . . 4043 1 170 . 1 1 27 27 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 4043 1 171 . 1 1 27 27 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 4043 1 172 . 1 1 27 27 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 4043 1 173 . 1 1 27 27 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4043 1 174 . 1 1 27 27 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4043 1 175 . 1 1 27 27 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4043 1 176 . 1 1 28 28 GLU H H 1 8.04 . . 1 . . . . . . . . 4043 1 177 . 1 1 28 28 GLU HA H 1 4.00 . . 1 . . . . . . . . 4043 1 178 . 1 1 28 28 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4043 1 179 . 1 1 28 28 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 4043 1 180 . 1 1 28 28 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4043 1 181 . 1 1 28 28 GLU HG3 H 1 2.50 . . 2 . . . . . . . . 4043 1 182 . 1 1 29 29 ARG H H 1 7.07 . . 1 . . . . . . . . 4043 1 183 . 1 1 29 29 ARG HA H 1 4.17 . . 1 . . . . . . . . 4043 1 184 . 1 1 29 29 ARG HB2 H 1 1.54 . . 2 . . . . . . . . 4043 1 185 . 1 1 29 29 ARG HB3 H 1 1.99 . . 2 . . . . . . . . 4043 1 186 . 1 1 29 29 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 4043 1 187 . 1 1 29 29 ARG HG3 H 1 1.72 . . 2 . . . . . . . . 4043 1 188 . 1 1 29 29 ARG HD2 H 1 2.72 . . 2 . . . . . . . . 4043 1 189 . 1 1 29 29 ARG HD3 H 1 2.95 . . 2 . . . . . . . . 4043 1 190 . 1 1 29 29 ARG HH11 H 1 7.17 . . 4 . . . . . . . . 4043 1 191 . 1 1 29 29 ARG HH12 H 1 7.17 . . 4 . . . . . . . . 4043 1 192 . 1 1 29 29 ARG HH21 H 1 7.27 . . 4 . . . . . . . . 4043 1 193 . 1 1 29 29 ARG HH22 H 1 7.27 . . 4 . . . . . . . . 4043 1 194 . 1 1 30 30 LYS H H 1 7.79 . . 1 . . . . . . . . 4043 1 195 . 1 1 30 30 LYS HA H 1 3.87 . . 1 . . . . . . . . 4043 1 196 . 1 1 30 30 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 4043 1 197 . 1 1 30 30 LYS HB3 H 1 2.20 . . 2 . . . . . . . . 4043 1 198 . 1 1 30 30 LYS HG2 H 1 1.21 . . 2 . . . . . . . . 4043 1 199 . 1 1 30 30 LYS HG3 H 1 1.28 . . 2 . . . . . . . . 4043 1 200 . 1 1 30 30 LYS HD2 H 1 1.58 . . 2 . . . . . . . . 4043 1 201 . 1 1 30 30 LYS HD3 H 1 1.64 . . 2 . . . . . . . . 4043 1 202 . 1 1 30 30 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4043 1 203 . 1 1 30 30 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4043 1 204 . 1 1 31 31 ALA H H 1 7.87 . . 1 . . . . . . . . 4043 1 205 . 1 1 31 31 ALA HA H 1 4.64 . . 1 . . . . . . . . 4043 1 206 . 1 1 31 31 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 4043 1 207 . 1 1 31 31 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 4043 1 208 . 1 1 31 31 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 4043 1 209 . 1 1 32 32 ASP H H 1 8.24 . . 1 . . . . . . . . 4043 1 210 . 1 1 32 32 ASP HA H 1 4.44 . . 1 . . . . . . . . 4043 1 211 . 1 1 32 32 ASP HB2 H 1 2.42 . . 2 . . . . . . . . 4043 1 212 . 1 1 32 32 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 4043 1 213 . 1 1 33 33 LYS H H 1 7.60 . . 1 . . . . . . . . 4043 1 214 . 1 1 33 33 LYS HA H 1 4.56 . . 1 . . . . . . . . 4043 1 215 . 1 1 33 33 LYS HB2 H 1 2.01 . . 2 . . . . . . . . 4043 1 216 . 1 1 33 33 LYS HB3 H 1 2.07 . . 2 . . . . . . . . 4043 1 217 . 1 1 33 33 LYS HG2 H 1 1.27 . . 1 . . . . . . . . 4043 1 218 . 1 1 33 33 LYS HG3 H 1 1.27 . . 1 . . . . . . . . 4043 1 219 . 1 1 33 33 LYS HD2 H 1 1.47 . . 2 . . . . . . . . 4043 1 220 . 1 1 33 33 LYS HD3 H 1 1.50 . . 2 . . . . . . . . 4043 1 221 . 1 1 33 33 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4043 1 222 . 1 1 33 33 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4043 1 223 . 1 1 34 34 GLY H H 1 8.97 . . 1 . . . . . . . . 4043 1 224 . 1 1 34 34 GLY HA2 H 1 4.31 . . 2 . . . . . . . . 4043 1 225 . 1 1 34 34 GLY HA3 H 1 5.15 . . 2 . . . . . . . . 4043 1 226 . 1 1 35 35 TYR H H 1 9.02 . . 1 . . . . . . . . 4043 1 227 . 1 1 35 35 TYR HA H 1 4.84 . . 1 . . . . . . . . 4043 1 228 . 1 1 35 35 TYR HB2 H 1 2.99 . . 2 . . . . . . . . 4043 1 229 . 1 1 35 35 TYR HB3 H 1 3.14 . . 2 . . . . . . . . 4043 1 230 . 1 1 35 35 TYR HD1 H 1 7.07 . . 1 . . . . . . . . 4043 1 231 . 1 1 35 35 TYR HD2 H 1 7.07 . . 1 . . . . . . . . 4043 1 232 . 1 1 35 35 TYR HE1 H 1 6.60 . . 1 . . . . . . . . 4043 1 233 . 1 1 35 35 TYR HE2 H 1 6.60 . . 1 . . . . . . . . 4043 1 234 . 1 1 36 36 CYS H H 1 9.78 . . 1 . . . . . . . . 4043 1 235 . 1 1 36 36 CYS HA H 1 4.95 . . 1 . . . . . . . . 4043 1 236 . 1 1 36 36 CYS HB2 H 1 2.64 . . 2 . . . . . . . . 4043 1 237 . 1 1 36 36 CYS HB3 H 1 2.79 . . 2 . . . . . . . . 4043 1 238 . 1 1 37 37 TYR H H 1 8.33 . . 1 . . . . . . . . 4043 1 239 . 1 1 37 37 TYR HA H 1 4.37 . . 1 . . . . . . . . 4043 1 240 . 1 1 37 37 TYR HB2 H 1 3.64 . . 2 . . . . . . . . 4043 1 241 . 1 1 37 37 TYR HB3 H 1 3.26 . . 2 . . . . . . . . 4043 1 242 . 1 1 37 37 TYR HD1 H 1 6.99 . . 1 . . . . . . . . 4043 1 243 . 1 1 37 37 TYR HD2 H 1 6.99 . . 1 . . . . . . . . 4043 1 244 . 1 1 37 37 TYR HE1 H 1 5.98 . . 1 . . . . . . . . 4043 1 245 . 1 1 37 37 TYR HE2 H 1 5.98 . . 1 . . . . . . . . 4043 1 246 . 1 1 38 38 TRP H H 1 8.19 . . 1 . . . . . . . . 4043 1 247 . 1 1 38 38 TRP HA H 1 4.18 . . 1 . . . . . . . . 4043 1 248 . 1 1 38 38 TRP HB2 H 1 3.19 . . 2 . . . . . . . . 4043 1 249 . 1 1 38 38 TRP HB3 H 1 3.30 . . 2 . . . . . . . . 4043 1 250 . 1 1 38 38 TRP HD1 H 1 7.20 . . 1 . . . . . . . . 4043 1 251 . 1 1 38 38 TRP HE1 H 1 10.07 . . 1 . . . . . . . . 4043 1 252 . 1 1 38 38 TRP HE3 H 1 7.46 . . 1 . . . . . . . . 4043 1 253 . 1 1 38 38 TRP HZ2 H 1 7.11 . . 1 . . . . . . . . 4043 1 254 . 1 1 38 38 TRP HZ3 H 1 7.47 . . 1 . . . . . . . . 4043 1 255 . 1 1 38 38 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 4043 1 256 . 1 1 39 39 GLY H H 1 8.31 . . 1 . . . . . . . . 4043 1 257 . 1 1 39 39 GLY HA2 H 1 3.70 . . 2 . . . . . . . . 4043 1 258 . 1 1 39 39 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 4043 1 259 . 1 1 40 40 LYS H H 1 8.15 . . 1 . . . . . . . . 4043 1 260 . 1 1 40 40 LYS HA H 1 4.25 . . 1 . . . . . . . . 4043 1 261 . 1 1 40 40 LYS HB2 H 1 1.25 . . 1 . . . . . . . . 4043 1 262 . 1 1 40 40 LYS HB3 H 1 1.25 . . 1 . . . . . . . . 4043 1 263 . 1 1 40 40 LYS HG2 H 1 1.22 . . 1 . . . . . . . . 4043 1 264 . 1 1 40 40 LYS HG3 H 1 1.22 . . 1 . . . . . . . . 4043 1 265 . 1 1 40 40 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4043 1 266 . 1 1 40 40 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4043 1 267 . 1 1 41 41 VAL H H 1 7.77 . . 1 . . . . . . . . 4043 1 268 . 1 1 41 41 VAL HA H 1 3.68 . . 1 . . . . . . . . 4043 1 269 . 1 1 41 41 VAL HB H 1 2.49 . . 1 . . . . . . . . 4043 1 270 . 1 1 41 41 VAL HG11 H 1 0.81 . . 2 . . . . . . . . 4043 1 271 . 1 1 41 41 VAL HG12 H 1 0.81 . . 2 . . . . . . . . 4043 1 272 . 1 1 41 41 VAL HG13 H 1 0.81 . . 2 . . . . . . . . 4043 1 273 . 1 1 41 41 VAL HG21 H 1 0.91 . . 2 . . . . . . . . 4043 1 274 . 1 1 41 41 VAL HG22 H 1 0.91 . . 2 . . . . . . . . 4043 1 275 . 1 1 41 41 VAL HG23 H 1 0.91 . . 2 . . . . . . . . 4043 1 276 . 1 1 42 42 SER H H 1 7.07 . . 1 . . . . . . . . 4043 1 277 . 1 1 42 42 SER HA H 1 5.60 . . 1 . . . . . . . . 4043 1 278 . 1 1 42 42 SER HB2 H 1 3.46 . . 2 . . . . . . . . 4043 1 279 . 1 1 42 42 SER HB3 H 1 3.88 . . 2 . . . . . . . . 4043 1 280 . 1 1 43 43 CYS H H 1 8.66 . . 1 . . . . . . . . 4043 1 281 . 1 1 43 43 CYS HA H 1 5.04 . . 1 . . . . . . . . 4043 1 282 . 1 1 43 43 CYS HB2 H 1 2.64 . . 2 . . . . . . . . 4043 1 283 . 1 1 43 43 CYS HB3 H 1 2.68 . . 2 . . . . . . . . 4043 1 284 . 1 1 44 44 TYR H H 1 9.10 . . 1 . . . . . . . . 4043 1 285 . 1 1 44 44 TYR HA H 1 4.32 . . 1 . . . . . . . . 4043 1 286 . 1 1 44 44 TYR HB2 H 1 2.08 . . 2 . . . . . . . . 4043 1 287 . 1 1 44 44 TYR HB3 H 1 2.38 . . 2 . . . . . . . . 4043 1 288 . 1 1 44 44 TYR HD1 H 1 5.48 . . 1 . . . . . . . . 4043 1 289 . 1 1 44 44 TYR HD2 H 1 5.48 . . 1 . . . . . . . . 4043 1 290 . 1 1 44 44 TYR HE1 H 1 5.88 . . 1 . . . . . . . . 4043 1 291 . 1 1 44 44 TYR HE2 H 1 5.88 . . 1 . . . . . . . . 4043 1 292 . 1 1 45 45 CYS H H 1 8.20 . . 1 . . . . . . . . 4043 1 293 . 1 1 45 45 CYS HA H 1 5.50 . . 1 . . . . . . . . 4043 1 294 . 1 1 45 45 CYS HB2 H 1 2.50 . . 2 . . . . . . . . 4043 1 295 . 1 1 45 45 CYS HB3 H 1 3.38 . . 2 . . . . . . . . 4043 1 296 . 1 1 46 46 TYR H H 1 8.66 . . 1 . . . . . . . . 4043 1 297 . 1 1 46 46 TYR HA H 1 5.01 . . 1 . . . . . . . . 4043 1 298 . 1 1 46 46 TYR HB2 H 1 2.56 . . 2 . . . . . . . . 4043 1 299 . 1 1 46 46 TYR HB3 H 1 3.04 . . 2 . . . . . . . . 4043 1 300 . 1 1 46 46 TYR HD1 H 1 7.05 . . 1 . . . . . . . . 4043 1 301 . 1 1 46 46 TYR HD2 H 1 7.05 . . 1 . . . . . . . . 4043 1 302 . 1 1 46 46 TYR HE1 H 1 6.82 . . 1 . . . . . . . . 4043 1 303 . 1 1 46 46 TYR HE2 H 1 6.82 . . 1 . . . . . . . . 4043 1 304 . 1 1 47 47 GLY H H 1 9.11 . . 1 . . . . . . . . 4043 1 305 . 1 1 47 47 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 4043 1 306 . 1 1 47 47 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 4043 1 307 . 1 1 48 48 LEU H H 1 8.71 . . 1 . . . . . . . . 4043 1 308 . 1 1 48 48 LEU HA H 1 3.99 . . 1 . . . . . . . . 4043 1 309 . 1 1 48 48 LEU HB2 H 1 1.34 . . 2 . . . . . . . . 4043 1 310 . 1 1 48 48 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 4043 1 311 . 1 1 48 48 LEU HG H 1 1.22 . . 1 . . . . . . . . 4043 1 312 . 1 1 48 48 LEU HD11 H 1 0.35 . . 2 . . . . . . . . 4043 1 313 . 1 1 48 48 LEU HD12 H 1 0.35 . . 2 . . . . . . . . 4043 1 314 . 1 1 48 48 LEU HD13 H 1 0.35 . . 2 . . . . . . . . 4043 1 315 . 1 1 48 48 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4043 1 316 . 1 1 48 48 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4043 1 317 . 1 1 48 48 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4043 1 318 . 1 1 49 49 PRO HA H 1 4.37 . . 1 . . . . . . . . 4043 1 319 . 1 1 49 49 PRO HB2 H 1 1.77 . . 2 . . . . . . . . 4043 1 320 . 1 1 49 49 PRO HB3 H 1 2.34 . . 2 . . . . . . . . 4043 1 321 . 1 1 49 49 PRO HG2 H 1 2.02 . . 2 . . . . . . . . 4043 1 322 . 1 1 49 49 PRO HG3 H 1 2.07 . . 2 . . . . . . . . 4043 1 323 . 1 1 49 49 PRO HD2 H 1 3.38 . . 2 . . . . . . . . 4043 1 324 . 1 1 49 49 PRO HD3 H 1 3.63 . . 2 . . . . . . . . 4043 1 325 . 1 1 50 50 ASP H H 1 8.37 . . 1 . . . . . . . . 4043 1 326 . 1 1 50 50 ASP HA H 1 3.94 . . 1 . . . . . . . . 4043 1 327 . 1 1 50 50 ASP HB2 H 1 2.31 . . 2 . . . . . . . . 4043 1 328 . 1 1 50 50 ASP HB3 H 1 2.35 . . 2 . . . . . . . . 4043 1 329 . 1 1 51 51 ASN H H 1 7.98 . . 1 . . . . . . . . 4043 1 330 . 1 1 51 51 ASN HA H 1 4.55 . . 1 . . . . . . . . 4043 1 331 . 1 1 51 51 ASN HB2 H 1 2.67 . . 2 . . . . . . . . 4043 1 332 . 1 1 51 51 ASN HB3 H 1 2.93 . . 2 . . . . . . . . 4043 1 333 . 1 1 51 51 ASN HD21 H 1 6.70 . . 2 . . . . . . . . 4043 1 334 . 1 1 51 51 ASN HD22 H 1 7.47 . . 2 . . . . . . . . 4043 1 335 . 1 1 52 52 SER H H 1 7.57 . . 1 . . . . . . . . 4043 1 336 . 1 1 52 52 SER HA H 1 4.54 . . 1 . . . . . . . . 4043 1 337 . 1 1 52 52 SER HB2 H 1 3.72 . . 2 . . . . . . . . 4043 1 338 . 1 1 52 52 SER HB3 H 1 3.77 . . 2 . . . . . . . . 4043 1 339 . 1 1 53 53 PRO HA H 1 4.39 . . 1 . . . . . . . . 4043 1 340 . 1 1 53 53 PRO HB2 H 1 1.92 . . 2 . . . . . . . . 4043 1 341 . 1 1 53 53 PRO HB3 H 1 2.12 . . 2 . . . . . . . . 4043 1 342 . 1 1 53 53 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4043 1 343 . 1 1 53 53 PRO HG3 H 1 2.17 . . 2 . . . . . . . . 4043 1 344 . 1 1 53 53 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 4043 1 345 . 1 1 53 53 PRO HD3 H 1 3.95 . . 2 . . . . . . . . 4043 1 346 . 1 1 54 54 THR H H 1 8.37 . . 1 . . . . . . . . 4043 1 347 . 1 1 54 54 THR HA H 1 5.12 . . 1 . . . . . . . . 4043 1 348 . 1 1 54 54 THR HB H 1 4.19 . . 1 . . . . . . . . 4043 1 349 . 1 1 54 54 THR HG21 H 1 0.60 . . 1 . . . . . . . . 4043 1 350 . 1 1 54 54 THR HG22 H 1 0.60 . . 1 . . . . . . . . 4043 1 351 . 1 1 54 54 THR HG23 H 1 0.60 . . 1 . . . . . . . . 4043 1 352 . 1 1 55 55 LYS H H 1 7.88 . . 1 . . . . . . . . 4043 1 353 . 1 1 55 55 LYS HA H 1 4.22 . . 1 . . . . . . . . 4043 1 354 . 1 1 55 55 LYS HB2 H 1 1.78 . . 1 . . . . . . . . 4043 1 355 . 1 1 55 55 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 4043 1 356 . 1 1 55 55 LYS HG2 H 1 1.50 . . 1 . . . . . . . . 4043 1 357 . 1 1 55 55 LYS HG3 H 1 1.50 . . 1 . . . . . . . . 4043 1 358 . 1 1 55 55 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 4043 1 359 . 1 1 55 55 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 4043 1 360 . 1 1 55 55 LYS HE2 H 1 3.12 . . 1 . . . . . . . . 4043 1 361 . 1 1 55 55 LYS HE3 H 1 3.12 . . 1 . . . . . . . . 4043 1 362 . 1 1 56 56 THR H H 1 8.91 . . 1 . . . . . . . . 4043 1 363 . 1 1 56 56 THR HA H 1 4.72 . . 1 . . . . . . . . 4043 1 364 . 1 1 56 56 THR HB H 1 4.38 . . 1 . . . . . . . . 4043 1 365 . 1 1 56 56 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4043 1 366 . 1 1 56 56 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4043 1 367 . 1 1 56 56 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4043 1 368 . 1 1 57 57 SER H H 1 8.38 . . 1 . . . . . . . . 4043 1 369 . 1 1 57 57 SER HA H 1 4.27 . . 1 . . . . . . . . 4043 1 370 . 1 1 57 57 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4043 1 371 . 1 1 57 57 SER HB3 H 1 4.00 . . 2 . . . . . . . . 4043 1 372 . 1 1 58 58 GLY H H 1 8.14 . . 1 . . . . . . . . 4043 1 373 . 1 1 58 58 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4043 1 374 . 1 1 58 58 GLY HA3 H 1 4.00 . . 2 . . . . . . . . 4043 1 375 . 1 1 59 59 LYS H H 1 7.70 . . 1 . . . . . . . . 4043 1 376 . 1 1 59 59 LYS HA H 1 4.09 . . 1 . . . . . . . . 4043 1 377 . 1 1 59 59 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 4043 1 378 . 1 1 59 59 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4043 1 379 . 1 1 59 59 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4043 1 380 . 1 1 59 59 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4043 1 381 . 1 1 59 59 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 4043 1 382 . 1 1 59 59 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 4043 1 383 . 1 1 59 59 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 4043 1 384 . 1 1 59 59 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 4043 1 385 . 1 1 60 60 CYS H H 1 8.21 . . 1 . . . . . . . . 4043 1 386 . 1 1 60 60 CYS HA H 1 4.79 . . 1 . . . . . . . . 4043 1 387 . 1 1 60 60 CYS HB2 H 1 2.49 . . 2 . . . . . . . . 4043 1 388 . 1 1 60 60 CYS HB3 H 1 3.34 . . 2 . . . . . . . . 4043 1 389 . 1 1 61 61 ASN H H 1 9.07 . . 1 . . . . . . . . 4043 1 390 . 1 1 61 61 ASN HA H 1 5.15 . . 1 . . . . . . . . 4043 1 391 . 1 1 61 61 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 4043 1 392 . 1 1 61 61 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4043 1 393 . 1 1 61 61 ASN HD21 H 1 6.67 . . 2 . . . . . . . . 4043 1 394 . 1 1 61 61 ASN HD22 H 1 7.40 . . 2 . . . . . . . . 4043 1 395 . 1 1 62 62 PRO HA H 1 4.34 . . 1 . . . . . . . . 4043 1 396 . 1 1 62 62 PRO HB2 H 1 1.95 . . 2 . . . . . . . . 4043 1 397 . 1 1 62 62 PRO HB3 H 1 2.13 . . 2 . . . . . . . . 4043 1 398 . 1 1 62 62 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4043 1 399 . 1 1 62 62 PRO HG3 H 1 2.18 . . 2 . . . . . . . . 4043 1 400 . 1 1 62 62 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4043 1 401 . 1 1 62 62 PRO HD3 H 1 3.88 . . 2 . . . . . . . . 4043 1 402 . 1 1 63 63 ALA H H 1 7.99 . . 1 . . . . . . . . 4043 1 403 . 1 1 63 63 ALA HA H 1 4.14 . . 1 . . . . . . . . 4043 1 404 . 1 1 63 63 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 4043 1 405 . 1 1 63 63 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 4043 1 406 . 1 1 63 63 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 4043 1 stop_ save_