data_16112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16112 _Entry.Title ; Solution structure of a K+-channel voltage-sensor paddle motif ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-09 _Entry.Accession_date 2009-01-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sofia Unnerstale . . . 16112 2 Jesper Lind . . . 16112 3 Evangelos Papadopoulos . . . 16112 4 Lena Maler . . . 16112 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Maler group, SU' . 16112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 205 16112 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 2 . . 2009-06-24 2009-01-09 update BMRB 'completed entry citation' 16112 1 . . 2009-05-29 2009-01-09 original author 'original release' 16112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2k44 'Solution structure of a K+-channel voltage-sensor paddle domain' 16112 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16112 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19456106 _Citation.Full_citation . _Citation.Title 'Solution Structure of the HsapBK K(+) Channel Voltage-Sensor Paddle Sequence' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 50 _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 5813 _Citation.Page_last 5821 _Citation.Year 2009 _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 Sofia Unnerstale . . . 16112 1 2 Jesper Lind . . . 16112 1 3 Evangelos Papadopoulos . . . 16112 1 4 Lena Maler . . . 16112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16112 _Assembly.ID 1 _Assembly.Name HsapBK(233-260) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HsapBK(233-260) 1 $HsapBK(233-260) A . yes native no no . . . 16112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HsapBK(233-260) _Entity.Sf_category entity _Entity.Sf_framecode HsapBK(233-260) _Entity.Entry_ID 16112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HsapBK(233-260) _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 ; PVFVSVYLNRSWLGLRFLRA LRLIQFSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2K44 . "Solution Structure Of A K+-Channel Voltage-Sensor Paddle Domain" . . . . . 100.00 28 100.00 100.00 3.15e-09 . . . . 16112 1 2 no DBJ BAA23747 . "large conductance calcium-activated potassium channel alpha subunit [Oryctolagus cuniculus]" . . . . . 100.00 1156 100.00 100.00 2.23e-09 . . . . 16112 1 3 no DBJ BAC20639 . "stretch-activated Kca channel [Gallus gallus]" . . . . . 100.00 1172 100.00 100.00 1.78e-09 . . . . 16112 1 4 no DBJ BAD06365 . "stretch-activated Kca channel [Homo sapiens]" . . . . . 100.00 1212 100.00 100.00 2.35e-09 . . . . 16112 1 5 no DBJ BAD06397 . "BK variant stretch-activated Kca channel [Homo sapiens]" . . . . . 100.00 1195 100.00 100.00 2.34e-09 . . . . 16112 1 6 no DBJ BAD92725 . "large conductance calcium-activated potassium channel subfamily M alpha member 1 variant [Homo sapiens]" . . . . . 100.00 590 100.00 100.00 2.26e-08 . . . . 16112 1 7 no EMBL CAF98633 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 100.00 323 100.00 100.00 1.66e-08 . . . . 16112 1 8 no EMBL CAG04818 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 100.00 1251 100.00 100.00 1.40e-09 . . . . 16112 1 9 no EMBL CBN81508 . "Calcium-activated potassium channel subunit alpha-1 [Dicentrarchus labrax]" . . . . . 100.00 1157 100.00 100.00 1.99e-09 . . . . 16112 1 10 no EMBL CDQ56778 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 995 100.00 100.00 1.58e-09 . . . . 16112 1 11 no EMBL CDQ63989 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 50.00 54 100.00 100.00 5.23e+00 . . . . 16112 1 12 no GB AAA39746 . "mSlo [Mus musculus]" . . . . . 100.00 1196 100.00 100.00 2.21e-09 . . . . 16112 1 13 no GB AAA50215 . "calcium-activated potassium channel [Mus musculus]" . . . . . 100.00 1184 100.00 100.00 2.55e-09 . . . . 16112 1 14 no GB AAA50216 . "calcium-activated potassium channel, partial [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 2.92e-08 . . . . 16112 1 15 no GB AAA84000 . "calcium activated potassium channel protein [Canis lupus familiaris]" . . . . . 100.00 1156 100.00 100.00 1.71e-09 . . . . 16112 1 16 no GB AAA85104 . "large-conductance calcium-activated potassium channel [Homo sapiens]" . . . . . 100.00 1178 100.00 100.00 1.71e-09 . . . . 16112 1 17 no PRF 2121221A . "Ca-activated K channel" . . . . . 100.00 1178 100.00 100.00 1.70e-09 . . . . 16112 1 18 no PRF 2209275A . "maxi K channel:SUBUNIT=alpha" . . . . . 100.00 1113 100.00 100.00 2.86e-09 . . . . 16112 1 19 no REF NP_001003300 . "calcium-activated potassium channel subunit alpha-1 [Canis lupus familiaris]" . . . . . 100.00 1113 100.00 100.00 2.50e-09 . . . . 16112 1 20 no REF NP_001014797 . "calcium-activated potassium channel subunit alpha-1 isoform a [Homo sapiens]" . . . . . 100.00 1182 100.00 100.00 1.78e-09 . . . . 16112 1 21 no REF NP_001027982 . "calcium-activated potassium channel subunit alpha-1 [Macaca mulatta]" . . . . . 100.00 1151 100.00 100.00 2.45e-09 . . . . 16112 1 22 no REF NP_001075539 . "calcium-activated potassium channel subunit alpha-1 [Oryctolagus cuniculus]" . . . . . 100.00 1171 100.00 100.00 2.56e-09 . . . . 16112 1 23 no REF NP_001079159 . "calcium-activated potassium channel subunit alpha-1 [Xenopus laevis]" . . . . . 100.00 1196 100.00 100.00 1.45e-09 . . . . 16112 1 24 no SP O18866 . "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" . . . . . 100.00 1152 100.00 100.00 2.53e-09 . . . . 16112 1 25 no SP O18867 . "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" . . . . . 100.00 1151 100.00 100.00 2.45e-09 . . . . 16112 1 26 no SP Q08460 . "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" . . . . . 100.00 1209 100.00 100.00 1.71e-09 . . . . 16112 1 27 no SP Q12791 . "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" . . . . . 100.00 1236 100.00 100.00 1.69e-09 . . . . 16112 1 28 no SP Q28204 . "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" . . . . . 100.00 1166 100.00 100.00 2.01e-09 . . . . 16112 1 29 no TPG DAA14221 . "TPA: calcium-activated potassium channel subunit alpha-1 [Bos taurus]" . . . . . 100.00 1166 100.00 100.00 2.01e-09 . . . . 16112 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 1 233 PRO . 16112 1 2 234 VAL . 16112 1 3 235 PHE . 16112 1 4 236 VAL . 16112 1 5 237 SER . 16112 1 6 238 VAL . 16112 1 7 239 TYR . 16112 1 8 240 LEU . 16112 1 9 241 ASN . 16112 1 10 242 ARG . 16112 1 11 243 SER . 16112 1 12 244 TRP . 16112 1 13 245 LEU . 16112 1 14 246 GLY . 16112 1 15 247 LEU . 16112 1 16 248 ARG . 16112 1 17 249 PHE . 16112 1 18 250 LEU . 16112 1 19 251 ARG . 16112 1 20 252 ALA . 16112 1 21 253 LEU . 16112 1 22 254 ARG . 16112 1 23 255 LEU . 16112 1 24 256 ILE . 16112 1 25 257 GLN . 16112 1 26 258 PHE . 16112 1 27 259 SER . 16112 1 28 260 GLU . 16112 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 . PRO 1 1 16112 1 . VAL 2 2 16112 1 . PHE 3 3 16112 1 . VAL 4 4 16112 1 . SER 5 5 16112 1 . VAL 6 6 16112 1 . TYR 7 7 16112 1 . LEU 8 8 16112 1 . ASN 9 9 16112 1 . ARG 10 10 16112 1 . SER 11 11 16112 1 . TRP 12 12 16112 1 . LEU 13 13 16112 1 . GLY 14 14 16112 1 . LEU 15 15 16112 1 . ARG 16 16 16112 1 . PHE 17 17 16112 1 . LEU 18 18 16112 1 . ARG 19 19 16112 1 . ALA 20 20 16112 1 . LEU 21 21 16112 1 . ARG 22 22 16112 1 . LEU 23 23 16112 1 . ILE 24 24 16112 1 . GLN 25 25 16112 1 . PHE 26 26 16112 1 . SER 27 27 16112 1 . GLU 28 28 16112 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 16112 _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 $HsapBK(233-260) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16112 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 16112 _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 $HsapBK(233-260) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16112 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HsapBK(233-260) 'natural abundance' . . 1 $HsapBK(233-260) . . 1 . . mM . . . . 16112 1 2 DPC '[U-99% 2H]' . . . . . . 100 . . mM . . . . 16112 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16112 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16112 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16112 1 pH 5.5 . pH 16112 1 pressure 1 . atm 16112 1 temperature 298 . K 16112 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16112 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16112 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16112 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16112 _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 Varian INOVA . 800 . . . 16112 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 16112 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16112 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16112 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16112 _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 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16112 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 16112 1 2 '2D 1H-1H NOESY' . . . 16112 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 PRO HA H 1 4.464 0.02 . 1 . . . . 233 P HA . 16112 1 2 . 1 1 1 1 PRO HB2 H 1 1.842 0.02 . 2 . . . . 233 P HB2 . 16112 1 3 . 1 1 1 1 PRO HB3 H 1 2.432 0.02 . 2 . . . . 233 P HB3 . 16112 1 4 . 1 1 1 1 PRO HD2 H 1 3.362 0.02 . 2 . . . . 233 P HD2 . 16112 1 5 . 1 1 1 1 PRO HD3 H 1 3.389 0.02 . 2 . . . . 233 P HD3 . 16112 1 6 . 1 1 1 1 PRO HG2 H 1 1.945 0.02 . 2 . . . . 233 P HG2 . 16112 1 7 . 1 1 1 1 PRO HG3 H 1 2.047 0.02 . 2 . . . . 233 P HG3 . 16112 1 8 . 1 1 2 2 VAL H H 1 8.892 0.02 . 1 . . . . 234 V H . 16112 1 9 . 1 1 2 2 VAL HA H 1 4.09 0.02 . 1 . . . . 234 V HA . 16112 1 10 . 1 1 2 2 VAL HB H 1 2.06 0.02 . 1 . . . . 234 V HB . 16112 1 11 . 1 1 2 2 VAL HG11 H 1 0.87 0.02 . 2 . . . . 234 V HG1 . 16112 1 12 . 1 1 2 2 VAL HG12 H 1 0.87 0.02 . 2 . . . . 234 V HG1 . 16112 1 13 . 1 1 2 2 VAL HG13 H 1 0.87 0.02 . 2 . . . . 234 V HG1 . 16112 1 14 . 1 1 2 2 VAL HG21 H 1 0.95 0.02 . 2 . . . . 234 V HG2 . 16112 1 15 . 1 1 2 2 VAL HG22 H 1 0.95 0.02 . 2 . . . . 234 V HG2 . 16112 1 16 . 1 1 2 2 VAL HG23 H 1 0.95 0.02 . 2 . . . . 234 V HG2 . 16112 1 17 . 1 1 3 3 PHE H H 1 8.566 0.02 . 1 . . . . 235 F H . 16112 1 18 . 1 1 3 3 PHE HA H 1 4.611 0.02 . 1 . . . . 235 F HA . 16112 1 19 . 1 1 3 3 PHE HB2 H 1 3.137 0.02 . 2 . . . . 235 F HB2 . 16112 1 20 . 1 1 3 3 PHE HB3 H 1 3.197 0.02 . 2 . . . . 235 F HB3 . 16112 1 21 . 1 1 3 3 PHE HD1 H 1 7.287 0.02 . 4 . . . . 235 F HD1 . 16112 1 22 . 1 1 3 3 PHE HE1 H 1 7.214 0.02 . 4 . . . . 235 F HE . 16112 1 23 . 1 1 3 3 PHE HE2 H 1 7.214 0.02 . 4 . . . . 235 F HE . 16112 1 24 . 1 1 4 4 VAL H H 1 7.813 0.02 . 1 . . . . 236 V H . 16112 1 25 . 1 1 4 4 VAL HA H 1 3.894 0.02 . 1 . . . . 236 V HA . 16112 1 26 . 1 1 4 4 VAL HB H 1 2.097 0.02 . 1 . . . . 236 V HB . 16112 1 27 . 1 1 4 4 VAL HG21 H 1 0.906 0.02 . 2 . . . . 236 V HG2 . 16112 1 28 . 1 1 4 4 VAL HG22 H 1 0.906 0.02 . 2 . . . . 236 V HG2 . 16112 1 29 . 1 1 4 4 VAL HG23 H 1 0.906 0.02 . 2 . . . . 236 V HG2 . 16112 1 30 . 1 1 5 5 SER H H 1 8.171 0.02 . 1 . . . . 237 S H . 16112 1 31 . 1 1 5 5 SER HA H 1 4.182 0.02 . 1 . . . . 237 S HA . 16112 1 32 . 1 1 5 5 SER HB2 H 1 3.819 0.02 . 2 . . . . 237 S HB2 . 16112 1 33 . 1 1 5 5 SER HB3 H 1 3.937 0.02 . 2 . . . . 237 S HB3 . 16112 1 34 . 1 1 6 6 VAL H H 1 7.725 0.02 . 1 . . . . 238 V H . 16112 1 35 . 1 1 6 6 VAL HA H 1 3.802 0.02 . 1 . . . . 238 V HA . 16112 1 36 . 1 1 6 6 VAL HB H 1 1.96 0.02 . 1 . . . . 238 V HB . 16112 1 37 . 1 1 6 6 VAL HG11 H 1 0.682 0.02 . 2 . . . . 238 V HG1 . 16112 1 38 . 1 1 6 6 VAL HG12 H 1 0.682 0.02 . 2 . . . . 238 V HG1 . 16112 1 39 . 1 1 6 6 VAL HG13 H 1 0.682 0.02 . 2 . . . . 238 V HG1 . 16112 1 40 . 1 1 6 6 VAL HG21 H 1 0.794 0.02 . 2 . . . . 238 V HG2 . 16112 1 41 . 1 1 6 6 VAL HG22 H 1 0.794 0.02 . 2 . . . . 238 V HG2 . 16112 1 42 . 1 1 6 6 VAL HG23 H 1 0.794 0.02 . 2 . . . . 238 V HG2 . 16112 1 43 . 1 1 7 7 TYR H H 1 7.565 0.02 . 1 . . . . 239 Y H . 16112 1 44 . 1 1 7 7 TYR HA H 1 4.228 0.02 . 1 . . . . 239 Y HA . 16112 1 45 . 1 1 7 7 TYR HB2 H 1 2.76 0.02 . 2 . . . . 239 Y HB2 . 16112 1 46 . 1 1 7 7 TYR HB3 H 1 2.982 0.02 . 2 . . . . 239 Y HB3 . 16112 1 47 . 1 1 7 7 TYR HD1 H 1 6.861 0.02 . 4 . . . . 239 Y HD1 . 16112 1 48 . 1 1 7 7 TYR HE1 H 1 6.75 0.02 . 4 . . . . 239 Y HE1 . 16112 1 49 . 1 1 8 8 LEU H H 1 7.811 0.02 . 1 . . . . 240 L H . 16112 1 50 . 1 1 8 8 LEU HA H 1 4.187 0.02 . 1 . . . . 240 L HA . 16112 1 51 . 1 1 8 8 LEU HB2 H 1 1.544 0.02 . 2 . . . . 240 L HB2 . 16112 1 52 . 1 1 8 8 LEU HB3 H 1 1.745 0.02 . 2 . . . . 240 L HB3 . 16112 1 53 . 1 1 8 8 LEU HD11 H 1 0.83 0.02 . 2 . . . . 240 L HD1 . 16112 1 54 . 1 1 8 8 LEU HD12 H 1 0.83 0.02 . 2 . . . . 240 L HD1 . 16112 1 55 . 1 1 8 8 LEU HD13 H 1 0.83 0.02 . 2 . . . . 240 L HD1 . 16112 1 56 . 1 1 8 8 LEU HD21 H 1 0.864 0.02 . 2 . . . . 240 L HD2 . 16112 1 57 . 1 1 8 8 LEU HD22 H 1 0.864 0.02 . 2 . . . . 240 L HD2 . 16112 1 58 . 1 1 8 8 LEU HD23 H 1 0.864 0.02 . 2 . . . . 240 L HD2 . 16112 1 59 . 1 1 9 9 ASN H H 1 7.562 0.02 . 1 . . . . 241 N H . 16112 1 60 . 1 1 9 9 ASN HA H 1 4.74 0.02 . 1 . . . . 241 N HA . 16112 1 61 . 1 1 9 9 ASN HB2 H 1 2.758 0.02 . 2 . . . . 241 N HB2 . 16112 1 62 . 1 1 9 9 ASN HD21 H 1 7.573 0.02 . 2 . . . . 241 N HD21 . 16112 1 63 . 1 1 9 9 ASN HD22 H 1 6.884 0.02 . 2 . . . . 241 N HD22 . 16112 1 64 . 1 1 10 10 ARG H H 1 8.329 0.02 . 1 . . . . 242 R H . 16112 1 65 . 1 1 10 10 ARG HA H 1 4.131 0.02 . 1 . . . . 242 R HA . 16112 1 66 . 1 1 10 10 ARG HB2 H 1 1.827 0.02 . 2 . . . . 242 R HB2 . 16112 1 67 . 1 1 10 10 ARG HB3 H 1 1.915 0.02 . 2 . . . . 242 R HB3 . 16112 1 68 . 1 1 10 10 ARG HD2 H 1 3.124 0.02 . 2 . . . . 242 R HD2 . 16112 1 69 . 1 1 10 10 ARG HE H 1 7.541 0.02 . 1 . . . . 242 R HE . 16112 1 70 . 1 1 10 10 ARG HG2 H 1 1.659 0.02 . 2 . . . . 242 R HG2 . 16112 1 71 . 1 1 10 10 ARG HG3 H 1 1.736 0.02 . 2 . . . . 242 R HG3 . 16112 1 72 . 1 1 11 11 SER H H 1 8.254 0.02 . 1 . . . . 243 S H . 16112 1 73 . 1 1 11 11 SER HA H 1 4.366 0.02 . 1 . . . . 243 S HA . 16112 1 74 . 1 1 11 11 SER HB2 H 1 3.918 0.02 . 2 . . . . 243 S HB2 . 16112 1 75 . 1 1 11 11 SER HB3 H 1 3.962 0.02 . 2 . . . . 243 S HB3 . 16112 1 76 . 1 1 12 12 TRP H H 1 8.155 0.02 . 1 . . . . 244 W H . 16112 1 77 . 1 1 12 12 TRP HA H 1 4.367 0.02 . 1 . . . . 244 W HA . 16112 1 78 . 1 1 12 12 TRP HB3 H 1 3.423 0.02 . 2 . . . . 244 W HB3 . 16112 1 79 . 1 1 12 12 TRP HD1 H 1 7.405 0.02 . 4 . . . . 244 W HD1 . 16112 1 80 . 1 1 12 12 TRP HE1 H 1 10.591 0.02 . 1 . . . . 244 W HE1 . 16112 1 81 . 1 1 12 12 TRP HH2 H 1 7.083 0.02 . 4 . . . . 244 W HH2 . 16112 1 82 . 1 1 12 12 TRP HZ2 H 1 7.503 0.02 . 4 . . . . 244 W HZ2 . 16112 1 83 . 1 1 12 12 TRP HZ3 H 1 6.96 0.02 . 4 . . . . 244 W HZ3 . 16112 1 84 . 1 1 13 13 LEU H H 1 7.885 0.02 . 1 . . . . 245 L H . 16112 1 85 . 1 1 13 13 LEU HA H 1 3.959 0.02 . 1 . . . . 245 L HA . 16112 1 86 . 1 1 13 13 LEU HB2 H 1 1.6 0.02 . 2 . . . . 245 L HB2 . 16112 1 87 . 1 1 13 13 LEU HB3 H 1 1.66 0.02 . 2 . . . . 245 L HB3 . 16112 1 88 . 1 1 13 13 LEU HD11 H 1 0.85 0.02 . 2 . . . . 245 L HD1 . 16112 1 89 . 1 1 13 13 LEU HD12 H 1 0.85 0.02 . 2 . . . . 245 L HD1 . 16112 1 90 . 1 1 13 13 LEU HD13 H 1 0.85 0.02 . 2 . . . . 245 L HD1 . 16112 1 91 . 1 1 13 13 LEU HD21 H 1 0.89 0.02 . 2 . . . . 245 L HD2 . 16112 1 92 . 1 1 13 13 LEU HD22 H 1 0.89 0.02 . 2 . . . . 245 L HD2 . 16112 1 93 . 1 1 13 13 LEU HD23 H 1 0.89 0.02 . 2 . . . . 245 L HD2 . 16112 1 94 . 1 1 13 13 LEU HG H 1 1.457 0.02 . 1 . . . . 245 L HG . 16112 1 95 . 1 1 14 14 GLY H H 1 8.044 0.02 . 1 . . . . 246 G H . 16112 1 96 . 1 1 14 14 GLY HA2 H 1 4.132 0.02 . 1 . . . . 246 G HA . 16112 1 97 . 1 1 14 14 GLY HA3 H 1 4.132 0.02 . 1 . . . . 246 G HA . 16112 1 98 . 1 1 15 15 LEU H H 1 7.899 0.02 . 1 . . . . 247 L H . 16112 1 99 . 1 1 15 15 LEU HA H 1 3.962 0.02 . 1 . . . . 247 L HA . 16112 1 100 . 1 1 15 15 LEU HB2 H 1 1.732 0.02 . 2 . . . . 247 L HB2 . 16112 1 101 . 1 1 16 16 ARG H H 1 7.791 0.02 . 1 . . . . 248 R H . 16112 1 102 . 1 1 16 16 ARG HA H 1 4.112 0.02 . 1 . . . . 248 R HA . 16112 1 103 . 1 1 16 16 ARG HB2 H 1 1.73 0.02 . 2 . . . . 248 R HB2 . 16112 1 104 . 1 1 16 16 ARG HD2 H 1 3.18 0.02 . 2 . . . . 248 R HD2 . 16112 1 105 . 1 1 16 16 ARG HD3 H 1 2.836 0.02 . 2 . . . . 248 R HD3 . 16112 1 106 . 1 1 16 16 ARG HE H 1 7.499 0.02 . 1 . . . . 248 R HE . 16112 1 107 . 1 1 16 16 ARG HG2 H 1 1.451 0.02 . 2 . . . . 248 R HG2 . 16112 1 108 . 1 1 16 16 ARG HH11 H 1 6.783 0.02 . 4 . . . . 248 R HH11 . 16112 1 109 . 1 1 16 16 ARG HH12 H 1 6.783 0.02 . 4 . . . . 248 R HH12 . 16112 1 110 . 1 1 16 16 ARG HH21 H 1 6.783 0.02 . 4 . . . . 248 R HH21 . 16112 1 111 . 1 1 16 16 ARG HH22 H 1 6.783 0.02 . 4 . . . . 248 R HH22 . 16112 1 112 . 1 1 17 17 PHE H H 1 8.272 0.02 . 1 . . . . 249 F H . 16112 1 113 . 1 1 17 17 PHE HA H 1 4.261 0.02 . 1 . . . . 249 F HA . 16112 1 114 . 1 1 17 17 PHE HB2 H 1 3.182 0.02 . 2 . . . . 249 F HB2 . 16112 1 115 . 1 1 17 17 PHE HB3 H 1 3.241 0.02 . 2 . . . . 249 F HB3 . 16112 1 116 . 1 1 17 17 PHE HD1 H 1 7.139 0.02 . 4 . . . . 249 F HD1 . 16112 1 117 . 1 1 17 17 PHE HE1 H 1 7.1 0.02 . 4 . . . . 249 F HE . 16112 1 118 . 1 1 17 17 PHE HE2 H 1 7.1 0.02 . 4 . . . . 249 F HE . 16112 1 119 . 1 1 18 18 LEU H H 1 8.037 0.02 . 1 . . . . 250 L H . 16112 1 120 . 1 1 18 18 LEU HA H 1 3.911 0.02 . 1 . . . . 250 L HA . 16112 1 121 . 1 1 18 18 LEU HB2 H 1 1.787 0.02 . 2 . . . . 250 L HB2 . 16112 1 122 . 1 1 18 18 LEU HB3 H 1 1.87 0.02 . 2 . . . . 250 L HB3 . 16112 1 123 . 1 1 18 18 LEU HD11 H 1 0.85 0.02 . 2 . . . . 250 L HD1 . 16112 1 124 . 1 1 18 18 LEU HD12 H 1 0.85 0.02 . 2 . . . . 250 L HD1 . 16112 1 125 . 1 1 18 18 LEU HD13 H 1 0.85 0.02 . 2 . . . . 250 L HD1 . 16112 1 126 . 1 1 18 18 LEU HD21 H 1 0.88 0.02 . 2 . . . . 250 L HD2 . 16112 1 127 . 1 1 18 18 LEU HD22 H 1 0.88 0.02 . 2 . . . . 250 L HD2 . 16112 1 128 . 1 1 18 18 LEU HD23 H 1 0.88 0.02 . 2 . . . . 250 L HD2 . 16112 1 129 . 1 1 18 18 LEU HG H 1 1.579 0.02 . 1 . . . . 250 L HG . 16112 1 130 . 1 1 19 19 ARG H H 1 7.951 0.02 . 1 . . . . 251 R H . 16112 1 131 . 1 1 19 19 ARG HA H 1 3.979 0.02 . 1 . . . . 251 R HA . 16112 1 132 . 1 1 19 19 ARG HB2 H 1 1.799 0.02 . 2 . . . . 251 R HB2 . 16112 1 133 . 1 1 19 19 ARG HB3 H 1 1.91 0.02 . 2 . . . . 251 R HB3 . 16112 1 134 . 1 1 19 19 ARG HD2 H 1 3.149 0.02 . 2 . . . . 251 R HD2 . 16112 1 135 . 1 1 19 19 ARG HD3 H 1 3.192 0.02 . 2 . . . . 251 R HD3 . 16112 1 136 . 1 1 19 19 ARG HE H 1 7.434 0.02 . 1 . . . . 251 R HE . 16112 1 137 . 1 1 19 19 ARG HG3 H 1 1.657 0.02 . 2 . . . . 251 R HG3 . 16112 1 138 . 1 1 20 20 ALA H H 1 7.793 0.02 . 1 . . . . 252 A H . 16112 1 139 . 1 1 20 20 ALA HA H 1 4.089 0.02 . 1 . . . . 252 A HA . 16112 1 140 . 1 1 20 20 ALA HB1 H 1 1.463 0.02 . 1 . . . . 252 A HB . 16112 1 141 . 1 1 20 20 ALA HB2 H 1 1.463 0.02 . 1 . . . . 252 A HB . 16112 1 142 . 1 1 20 20 ALA HB3 H 1 1.463 0.02 . 1 . . . . 252 A HB . 16112 1 143 . 1 1 21 21 LEU H H 1 7.748 0.02 . 1 . . . . 253 L H . 16112 1 144 . 1 1 21 21 LEU HA H 1 3.955 0.02 . 1 . . . . 253 L HA . 16112 1 145 . 1 1 21 21 LEU HB2 H 1 1.648 0.02 . 2 . . . . 253 L HB2 . 16112 1 146 . 1 1 21 21 LEU HB3 H 1 1.704 0.02 . 2 . . . . 253 L HB3 . 16112 1 147 . 1 1 21 21 LEU HD11 H 1 0.746 0.02 . 2 . . . . 253 L HD1 . 16112 1 148 . 1 1 21 21 LEU HD12 H 1 0.746 0.02 . 2 . . . . 253 L HD1 . 16112 1 149 . 1 1 21 21 LEU HD13 H 1 0.746 0.02 . 2 . . . . 253 L HD1 . 16112 1 150 . 1 1 21 21 LEU HD21 H 1 0.844 0.02 . 2 . . . . 253 L HD2 . 16112 1 151 . 1 1 21 21 LEU HD22 H 1 0.844 0.02 . 2 . . . . 253 L HD2 . 16112 1 152 . 1 1 21 21 LEU HD23 H 1 0.844 0.02 . 2 . . . . 253 L HD2 . 16112 1 153 . 1 1 21 21 LEU HG H 1 1.535 0.02 . 1 . . . . 253 L HG . 16112 1 154 . 1 1 22 22 ARG H H 1 7.684 0.02 . 1 . . . . 254 R H . 16112 1 155 . 1 1 22 22 ARG HA H 1 4.106 0.02 . 1 . . . . 254 R HA . 16112 1 156 . 1 1 22 22 ARG HB2 H 1 1.84 0.02 . 2 . . . . 254 R HB2 . 16112 1 157 . 1 1 22 22 ARG HB3 H 1 1.89 0.02 . 2 . . . . 254 R HB3 . 16112 1 158 . 1 1 22 22 ARG HD3 H 1 3.186 0.02 . 2 . . . . 254 R HD3 . 16112 1 159 . 1 1 22 22 ARG HE H 1 7.421 0.02 . 1 . . . . 254 R HE . 16112 1 160 . 1 1 22 22 ARG HG2 H 1 1.801 0.02 . 1 . . . . 254 R HG2 . 16112 1 161 . 1 1 22 22 ARG HG3 H 1 1.712 0.02 . 2 . . . . 254 R HG3 . 16112 1 162 . 1 1 23 23 LEU H H 1 7.736 0.02 . 1 . . . . 255 L H . 16112 1 163 . 1 1 23 23 LEU HA H 1 4.226 0.02 . 1 . . . . 255 L HA . 16112 1 164 . 1 1 23 23 LEU HB2 H 1 1.613 0.02 . 2 . . . . 255 L HB2 . 16112 1 165 . 1 1 23 23 LEU HB3 H 1 1.898 0.02 . 2 . . . . 255 L HB3 . 16112 1 166 . 1 1 23 23 LEU HD11 H 1 0.888 0.02 . 2 . . . . 255 L HD1 . 16112 1 167 . 1 1 23 23 LEU HD12 H 1 0.888 0.02 . 2 . . . . 255 L HD1 . 16112 1 168 . 1 1 23 23 LEU HD13 H 1 0.888 0.02 . 2 . . . . 255 L HD1 . 16112 1 169 . 1 1 23 23 LEU HD21 H 1 0.937 0.02 . 2 . . . . 255 L HD2 . 16112 1 170 . 1 1 23 23 LEU HD22 H 1 0.937 0.02 . 2 . . . . 255 L HD2 . 16112 1 171 . 1 1 23 23 LEU HD23 H 1 0.937 0.02 . 2 . . . . 255 L HD2 . 16112 1 172 . 1 1 23 23 LEU HG H 1 1.793 0.02 . 1 . . . . 255 L HG . 16112 1 173 . 1 1 24 24 ILE H H 1 7.42 0.02 . 1 . . . . 256 I H . 16112 1 174 . 1 1 24 24 ILE HA H 1 3.997 0.02 . 1 . . . . 256 I HA . 16112 1 175 . 1 1 24 24 ILE HB H 1 1.912 0.02 . 1 . . . . 256 I HB . 16112 1 176 . 1 1 24 24 ILE HD11 H 1 0.772 0.02 . 1 . . . . 256 I HD1 . 16112 1 177 . 1 1 24 24 ILE HD12 H 1 0.772 0.02 . 1 . . . . 256 I HD1 . 16112 1 178 . 1 1 24 24 ILE HD13 H 1 0.772 0.02 . 1 . . . . 256 I HD1 . 16112 1 179 . 1 1 24 24 ILE HG12 H 1 1.131 0.02 . 1 . . . . 256 I HG12 . 16112 1 180 . 1 1 24 24 ILE HG13 H 1 1.57 0.02 . 1 . . . . 256 I HG13 . 16112 1 181 . 1 1 24 24 ILE HG21 H 1 0.836 0.02 . 1 . . . . 256 I HG2 . 16112 1 182 . 1 1 24 24 ILE HG22 H 1 0.836 0.02 . 1 . . . . 256 I HG2 . 16112 1 183 . 1 1 24 24 ILE HG23 H 1 0.836 0.02 . 1 . . . . 256 I HG2 . 16112 1 184 . 1 1 25 25 GLN H H 1 7.971 0.02 . 1 . . . . 257 Q H . 16112 1 185 . 1 1 25 25 GLN HA H 1 4.243 0.02 . 1 . . . . 257 Q HA . 16112 1 186 . 1 1 25 25 GLN HB2 H 1 1.923 0.02 . 2 . . . . 257 Q HB2 . 16112 1 187 . 1 1 25 25 GLN HB3 H 1 1.971 0.02 . 2 . . . . 257 Q HB3 . 16112 1 188 . 1 1 25 25 GLN HE21 H 1 7.378 0.02 . 2 . . . . 257 Q HE21 . 16112 1 189 . 1 1 25 25 GLN HE22 H 1 6.699 0.02 . 2 . . . . 257 Q HE22 . 16112 1 190 . 1 1 25 25 GLN HG2 H 1 2.191 0.02 . 2 . . . . 257 Q HG2 . 16112 1 191 . 1 1 25 25 GLN HG3 H 1 2.231 0.02 . 2 . . . . 257 Q HG3 . 16112 1 192 . 1 1 26 26 PHE H H 1 8.167 0.02 . 1 . . . . 258 F H . 16112 1 193 . 1 1 26 26 PHE HA H 1 4.68 0.02 . 1 . . . . 258 F HA . 16112 1 194 . 1 1 26 26 PHE HB2 H 1 3.009 0.02 . 2 . . . . 258 F HB2 . 16112 1 195 . 1 1 26 26 PHE HB3 H 1 3.214 0.02 . 2 . . . . 258 F HB3 . 16112 1 196 . 1 1 26 26 PHE HD1 H 1 7.288 0.02 . 4 . . . . 258 F HD1 . 16112 1 197 . 1 1 26 26 PHE HE1 H 1 7.29 0.02 . 4 . . . . 258 F HE1 . 16112 1 198 . 1 1 27 27 SER H H 1 8.096 0.02 . 1 . . . . 259 S H . 16112 1 199 . 1 1 27 27 SER HA H 1 4.431 0.02 . 1 . . . . 259 S HA . 16112 1 200 . 1 1 27 27 SER HB3 H 1 3.85 0.02 . 2 . . . . 259 S HB3 . 16112 1 201 . 1 1 28 28 GLU H H 1 7.889 0.02 . 1 . . . . 260 E H . 16112 1 202 . 1 1 28 28 GLU HA H 1 4.165 0.02 . 1 . . . . 260 E HA . 16112 1 203 . 1 1 28 28 GLU HB2 H 1 1.911 0.02 . 2 . . . . 260 E HB2 . 16112 1 204 . 1 1 28 28 GLU HB3 H 1 2.097 0.02 . 2 . . . . 260 E HB3 . 16112 1 205 . 1 1 28 28 GLU HG3 H 1 2.316 0.02 . 2 . . . . 260 E HG3 . 16112 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 21 16112 1 1 22 16112 1 1 23 16112 1 2 47 16112 1 2 48 16112 1 3 79 16112 1 3 81 16112 1 3 82 16112 1 3 83 16112 1 4 108 16112 1 4 109 16112 1 4 110 16112 1 4 111 16112 1 5 116 16112 1 5 117 16112 1 5 118 16112 1 6 196 16112 1 6 197 16112 1 stop_ save_