data_25396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25396 _Entry.Title ; assignment of the transmembrane domain of the mouse erythropoietin receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-17 _Entry.Accession_date 2014-12-17 _Entry.Last_release_date 2015-09-21 _Entry.Original_release_date 2015-09-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Qingxin Li . . . 25396 2 Yinglei Wong . . . 25396 3 Michelle Lee . . . 25396 4 Congbao Kang . . . 25396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 136 25396 '15N chemical shifts' 45 25396 '1H chemical shifts' 250 25396 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 . . 2015-09-21 . original BMRB . 25396 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25396 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26316120 _Citation.Full_citation . _Citation.Title ; Solution structure of the transmembrane domain of the mouse erythropoietin receptor in detergent micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _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 13586 _Citation.Page_last 13586 _Citation.Year 2015 _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 Qingxin Li . . . 25396 1 2 Yinglei Wong . . . 25396 1 3 Michelle Lee . Y. . 25396 1 4 Michelle Li . . . 25396 1 5 congbao kang . . . 25396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25396 _Assembly.ID 1 _Assembly.Name 'mouse EpoR' _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 'mouse EpoR' 1 $mouse_EpoR A . yes native no no . . . 25396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mouse_EpoR _Entity.Sf_category entity _Entity.Sf_framecode mouse_EpoR _Entity.Entry_ID 25396 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mouse_EpoR _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 ; MSEPASLLTASDLDPLILTL SLILVLISLLLTVLALLSHR RTLQQKIWPHHHHHH ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2MXB . "Structure Of The Transmembrane Domain Of The Mouse Erythropoietin Receptor" . . . . . 100.00 55 100.00 100.00 6.74e-26 . . . . 25396 1 2 no DBJ BAE23871 . "unnamed protein product [Mus musculus]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 3 no EMBL CAA37248 . "unnamed protein product [Mus musculus]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 4 no GB AAA37571 . "erythropoietin receptor precursor [Mus musculus]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 5 no GB AAB20029 . "erythropoietin receptor [Mus sp.]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 6 no GB AAH03953 . "Epor protein, partial [Mus musculus]" . . . . . 87.27 506 100.00 100.00 8.07e-08 . . . . 25396 1 7 no GB AAH46282 . "Erythropoietin receptor [Mus musculus]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 8 no GB EDL25236 . "erythropoietin receptor [Mus musculus]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 9 no REF NP_034279 . "erythropoietin receptor precursor [Mus musculus]" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 1 10 no REF XP_006510061 . "PREDICTED: erythropoietin receptor isoform X1 [Mus musculus]" . . . . . 87.27 366 100.00 100.00 5.35e-08 . . . . 25396 1 11 no SP P14753 . "RecName: Full=Erythropoietin receptor; Short=EPO-R; Flags: Precursor" . . . . . 87.27 507 100.00 100.00 8.08e-08 . . . . 25396 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 MET . 25396 1 2 2 SER . 25396 1 3 3 GLU . 25396 1 4 4 PRO . 25396 1 5 5 ALA . 25396 1 6 6 SER . 25396 1 7 7 LEU . 25396 1 8 8 LEU . 25396 1 9 9 THR . 25396 1 10 10 ALA . 25396 1 11 11 SER . 25396 1 12 12 ASP . 25396 1 13 13 LEU . 25396 1 14 14 ASP . 25396 1 15 15 PRO . 25396 1 16 16 LEU . 25396 1 17 17 ILE . 25396 1 18 18 LEU . 25396 1 19 19 THR . 25396 1 20 20 LEU . 25396 1 21 21 SER . 25396 1 22 22 LEU . 25396 1 23 23 ILE . 25396 1 24 24 LEU . 25396 1 25 25 VAL . 25396 1 26 26 LEU . 25396 1 27 27 ILE . 25396 1 28 28 SER . 25396 1 29 29 LEU . 25396 1 30 30 LEU . 25396 1 31 31 LEU . 25396 1 32 32 THR . 25396 1 33 33 VAL . 25396 1 34 34 LEU . 25396 1 35 35 ALA . 25396 1 36 36 LEU . 25396 1 37 37 LEU . 25396 1 38 38 SER . 25396 1 39 39 HIS . 25396 1 40 40 ARG . 25396 1 41 41 ARG . 25396 1 42 42 THR . 25396 1 43 43 LEU . 25396 1 44 44 GLN . 25396 1 45 45 GLN . 25396 1 46 46 LYS . 25396 1 47 47 ILE . 25396 1 48 48 TRP . 25396 1 49 49 PRO . 25396 1 50 50 HIS . 25396 1 51 51 HIS . 25396 1 52 52 HIS . 25396 1 53 53 HIS . 25396 1 54 54 HIS . 25396 1 55 55 HIS . 25396 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 . MET 1 1 25396 1 . SER 2 2 25396 1 . GLU 3 3 25396 1 . PRO 4 4 25396 1 . ALA 5 5 25396 1 . SER 6 6 25396 1 . LEU 7 7 25396 1 . LEU 8 8 25396 1 . THR 9 9 25396 1 . ALA 10 10 25396 1 . SER 11 11 25396 1 . ASP 12 12 25396 1 . LEU 13 13 25396 1 . ASP 14 14 25396 1 . PRO 15 15 25396 1 . LEU 16 16 25396 1 . ILE 17 17 25396 1 . LEU 18 18 25396 1 . THR 19 19 25396 1 . LEU 20 20 25396 1 . SER 21 21 25396 1 . LEU 22 22 25396 1 . ILE 23 23 25396 1 . LEU 24 24 25396 1 . VAL 25 25 25396 1 . LEU 26 26 25396 1 . ILE 27 27 25396 1 . SER 28 28 25396 1 . LEU 29 29 25396 1 . LEU 30 30 25396 1 . LEU 31 31 25396 1 . THR 32 32 25396 1 . VAL 33 33 25396 1 . LEU 34 34 25396 1 . ALA 35 35 25396 1 . LEU 36 36 25396 1 . LEU 37 37 25396 1 . SER 38 38 25396 1 . HIS 39 39 25396 1 . ARG 40 40 25396 1 . ARG 41 41 25396 1 . THR 42 42 25396 1 . LEU 43 43 25396 1 . GLN 44 44 25396 1 . GLN 45 45 25396 1 . LYS 46 46 25396 1 . ILE 47 47 25396 1 . TRP 48 48 25396 1 . PRO 49 49 25396 1 . HIS 50 50 25396 1 . HIS 51 51 25396 1 . HIS 52 52 25396 1 . HIS 53 53 25396 1 . HIS 54 54 25396 1 . HIS 55 55 25396 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 25396 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mouse_EpoR . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25396 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 25396 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mouse_EpoR . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'Bl21 DE3' 1 . . . . pET29b . . . 25396 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_labeled_sample _Sample.Entry_ID 25396 _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 mouseEpoR '[U-100% 15N]' . . 1 $mouse_EpoR . protein 0.5 . . mM . . . . 25396 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25396 1 3 DPC 'natural abundance' . . . . . . 150 . . mM . . . . 25396 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25396 1 5 D2O U-2H . . . . . solvent 10 . . % . . . . 25396 1 stop_ save_ save_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N _Sample.Entry_ID 25396 _Sample.ID 2 _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 mouseEpoR '[U-100% 13C; U-100% 15N]' . . 1 $mouse_EpoR . protein 0.8 . . mM . . . . 25396 2 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25396 2 3 DPC '[U-100% 2H]' . . . . . . 240 . . mM . . . . 25396 2 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25396 2 5 D2O U-2H . . . . . solvent 10 . . % . . . . 25396 2 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 25396 _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' 20 . mM 25396 1 pH 6.5 . pH 25396 1 pressure 1 . atm 25396 1 temperature 313 . K 25396 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25396 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25396 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25396 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25396 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25396 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25396 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25396 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25396 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25396 3 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 25396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25396 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25396 _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 Bruker Avance . 700 . . . 25396 1 2 spectrometer_2 Bruker DMX . 600 . . . 25396 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 25396 _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-15N HSQC' no . . . . . . . . . . 1 $15N_labeled_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25396 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_labeled_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 1 3 '3D HNCACB' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 1 4 '3D HNCA' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 1 5 '3D HNCO' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25396 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 25396 _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 C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 25396 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25396 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 25396 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 25396 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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-15N HSQC' 1 $15N_labeled_sample isotropic 25396 1 3 '3D HNCACB' 2 $13C-15N isotropic 25396 1 4 '3D HNCA' 2 $13C-15N isotropic 25396 1 6 '3D HBHA(CO)NH' 2 $13C-15N isotropic 25396 1 7 '3D 1H-15N NOESY' 2 $13C-15N isotropic 25396 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 MET HA H 1 4.541 0.02 . 1 . . . A 1 MET HA . 25396 1 2 . 1 1 1 1 MET HB3 H 1 2.100 0.02 . 2 . . . A 1 MET HB3 . 25396 1 3 . 1 1 1 1 MET C C 13 175.544 0.2 . 1 . . . A 1 MET C . 25396 1 4 . 1 1 1 1 MET CA C 13 54.464 0.2 . 1 . . . A 1 MET CA . 25396 1 5 . 1 1 1 1 MET CB C 13 33.515 0.2 . 1 . . . A 1 MET CB . 25396 1 6 . 1 1 1 1 MET N N 15 127.845 0.2 . 1 . . . A 1 MET N . 25396 1 7 . 1 1 2 2 SER H H 1 8.309 0.02 . 1 . . . A 2 SER H . 25396 1 8 . 1 1 2 2 SER HA H 1 4.456 0.02 . 1 . . . A 2 SER HA . 25396 1 9 . 1 1 2 2 SER HB3 H 1 3.891 0.02 . 2 . . . A 2 SER HB3 . 25396 1 10 . 1 1 2 2 SER C C 13 174.047 0.2 . 1 . . . A 2 SER C . 25396 1 11 . 1 1 2 2 SER CA C 13 58.960 0.2 . 1 . . . A 2 SER CA . 25396 1 12 . 1 1 2 2 SER CB C 13 63.845 0.2 . 1 . . . A 2 SER CB . 25396 1 13 . 1 1 2 2 SER N N 15 115.793 0.2 . 1 . . . A 2 SER N . 25396 1 14 . 1 1 3 3 GLU H H 1 8.247 0.02 . 1 . . . A 3 GLU H . 25396 1 15 . 1 1 3 3 GLU C C 13 174.776 0.2 . 1 . . . A 3 GLU C . 25396 1 16 . 1 1 3 3 GLU CA C 13 55.129 0.2 . 1 . . . A 3 GLU CA . 25396 1 17 . 1 1 3 3 GLU CB C 13 29.384 0.2 . 1 . . . A 3 GLU CB . 25396 1 18 . 1 1 3 3 GLU N N 15 121.819 0.2 . 1 . . . A 3 GLU N . 25396 1 19 . 1 1 4 4 PRO HA H 1 4.764 0.02 . 1 . . . A 4 PRO HA . 25396 1 20 . 1 1 4 4 PRO HB2 H 1 2.318 0.02 . 2 . . . A 4 PRO HB2 . 25396 1 21 . 1 1 4 4 PRO C C 13 175.990 0.2 . 1 . . . A 4 PRO C . 25396 1 22 . 1 1 4 4 PRO CA C 13 62.755 0.2 . 1 . . . A 4 PRO CA . 25396 1 23 . 1 1 4 4 PRO CB C 13 33.895 0.2 . 1 . . . A 4 PRO CB . 25396 1 24 . 1 1 5 5 ALA H H 1 8.581 0.02 . 1 . . . A 5 ALA H . 25396 1 25 . 1 1 5 5 ALA HA H 1 4.229 0.02 . 1 . . . A 5 ALA HA . 25396 1 26 . 1 1 5 5 ALA HB1 H 1 1.456 0.02 . 1 . . . A 5 ALA HB1 . 25396 1 27 . 1 1 5 5 ALA HB2 H 1 1.456 0.02 . 1 . . . A 5 ALA HB2 . 25396 1 28 . 1 1 5 5 ALA HB3 H 1 1.456 0.02 . 1 . . . A 5 ALA HB3 . 25396 1 29 . 1 1 5 5 ALA C C 13 178.413 0.2 . 1 . . . A 5 ALA C . 25396 1 30 . 1 1 5 5 ALA CA C 13 53.840 0.2 . 1 . . . A 5 ALA CA . 25396 1 31 . 1 1 5 5 ALA CB C 13 19.178 0.2 . 1 . . . A 5 ALA CB . 25396 1 32 . 1 1 5 5 ALA N N 15 126.162 0.2 . 1 . . . A 5 ALA N . 25396 1 33 . 1 1 6 6 SER H H 1 8.054 0.02 . 1 . . . A 6 SER H . 25396 1 34 . 1 1 6 6 SER HA H 1 4.428 0.02 . 1 . . . A 6 SER HA . 25396 1 35 . 1 1 6 6 SER HB3 H 1 3.939 0.02 . 2 . . . A 6 SER HB3 . 25396 1 36 . 1 1 6 6 SER C C 13 175.303 0.2 . 1 . . . A 6 SER C . 25396 1 37 . 1 1 6 6 SER CA C 13 59.336 0.2 . 1 . . . A 6 SER CA . 25396 1 38 . 1 1 6 6 SER CB C 13 63.817 0.2 . 1 . . . A 6 SER CB . 25396 1 39 . 1 1 6 6 SER N N 15 113.840 0.2 . 1 . . . A 6 SER N . 25396 1 40 . 1 1 7 7 LEU H H 1 8.226 0.02 . 1 . . . A 7 LEU H . 25396 1 41 . 1 1 7 7 LEU HA H 1 4.258 0.02 . 1 . . . A 7 LEU HA . 25396 1 42 . 1 1 7 7 LEU HB3 H 1 1.727 0.02 . 2 . . . A 7 LEU HB3 . 25396 1 43 . 1 1 7 7 LEU HG H 1 1.552 0.02 . 1 . . . A 7 LEU HG . 25396 1 44 . 1 1 7 7 LEU HD21 H 1 0.903 0.02 . 2 . . . A 7 LEU HD21 . 25396 1 45 . 1 1 7 7 LEU HD22 H 1 0.903 0.02 . 2 . . . A 7 LEU HD22 . 25396 1 46 . 1 1 7 7 LEU HD23 H 1 0.903 0.02 . 1 . . . A 7 LEU HD23 . 25396 1 47 . 1 1 7 7 LEU C C 13 177.265 0.2 . 1 . . . A 7 LEU C . 25396 1 48 . 1 1 7 7 LEU CA C 13 56.819 0.2 . 1 . . . A 7 LEU CA . 25396 1 49 . 1 1 7 7 LEU CB C 13 42.558 0.2 . 1 . . . A 7 LEU CB . 25396 1 50 . 1 1 7 7 LEU N N 15 123.095 0.2 . 1 . . . A 7 LEU N . 25396 1 51 . 1 1 8 8 LEU H H 1 7.797 0.02 . 1 . . . A 8 LEU H . 25396 1 52 . 1 1 8 8 LEU HA H 1 4.334 0.02 . 1 . . . A 8 LEU HA . 25396 1 53 . 1 1 8 8 LEU HB3 H 1 1.728 0.02 . 2 . . . A 8 LEU HB3 . 25396 1 54 . 1 1 8 8 LEU HG H 1 1.600 0.02 . 1 . . . A 8 LEU HG . 25396 1 55 . 1 1 8 8 LEU HD11 H 1 1.234 0.02 . 2 . . . A 8 LEU HD11 . 25396 1 56 . 1 1 8 8 LEU HD12 H 1 1.234 0.02 . 2 . . . A 8 LEU HD12 . 25396 1 57 . 1 1 8 8 LEU HD13 H 1 1.234 0.02 . 2 . . . A 8 LEU HD13 . 25396 1 58 . 1 1 8 8 LEU HD21 H 1 0.884 0.02 . 2 . . . A 8 LEU HD21 . 25396 1 59 . 1 1 8 8 LEU HD22 H 1 0.884 0.02 . 2 . . . A 8 LEU HD22 . 25396 1 60 . 1 1 8 8 LEU HD23 H 1 0.884 0.02 . 1 . . . A 8 LEU HD23 . 25396 1 61 . 1 1 8 8 LEU C C 13 177.034 0.2 . 1 . . . A 8 LEU C . 25396 1 62 . 1 1 8 8 LEU CA C 13 55.844 0.2 . 1 . . . A 8 LEU CA . 25396 1 63 . 1 1 8 8 LEU CB C 13 42.401 0.2 . 1 . . . A 8 LEU CB . 25396 1 64 . 1 1 8 8 LEU N N 15 116.642 0.2 . 1 . . . A 8 LEU N . 25396 1 65 . 1 1 9 9 THR H H 1 7.818 0.02 . 1 . . . A 9 THR H . 25396 1 66 . 1 1 9 9 THR HA H 1 4.399 0.02 . 1 . . . A 9 THR HA . 25396 1 67 . 1 1 9 9 THR HG21 H 1 1.190 0.02 . 1 . . . A 9 THR HG21 . 25396 1 68 . 1 1 9 9 THR HG22 H 1 1.190 0.02 . 1 . . . A 9 THR HG22 . 25396 1 69 . 1 1 9 9 THR HG23 H 1 1.190 0.02 . 1 . . . A 9 THR HG23 . 25396 1 70 . 1 1 9 9 THR C C 13 174.813 0.2 . 1 . . . A 9 THR C . 25396 1 71 . 1 1 9 9 THR CA C 13 62.070 0.2 . 1 . . . A 9 THR CA . 25396 1 72 . 1 1 9 9 THR CB C 13 69.748 0.2 . 1 . . . A 9 THR CB . 25396 1 73 . 1 1 9 9 THR N N 15 110.680 0.2 . 1 . . . A 9 THR N . 25396 1 74 . 1 1 10 10 ALA H H 1 8.068 0.02 . 1 . . . A 10 ALA H . 25396 1 75 . 1 1 10 10 ALA HA H 1 4.350 0.02 . 1 . . . A 10 ALA HA . 25396 1 76 . 1 1 10 10 ALA HB1 H 1 1.490 0.02 . 1 . . . A 10 ALA HB1 . 25396 1 77 . 1 1 10 10 ALA HB2 H 1 1.490 0.02 . 1 . . . A 10 ALA HB2 . 25396 1 78 . 1 1 10 10 ALA HB3 H 1 1.490 0.02 . 1 . . . A 10 ALA HB3 . 25396 1 79 . 1 1 10 10 ALA C C 13 177.501 0.2 . 1 . . . A 10 ALA C . 25396 1 80 . 1 1 10 10 ALA CA C 13 53.164 0.2 . 1 . . . A 10 ALA CA . 25396 1 81 . 1 1 10 10 ALA CB C 13 19.120 0.2 . 1 . . . A 10 ALA CB . 25396 1 82 . 1 1 10 10 ALA N N 15 124.452 0.2 . 1 . . . A 10 ALA N . 25396 1 83 . 1 1 11 11 SER H H 1 7.957 0.02 . 1 . . . A 11 SER H . 25396 1 84 . 1 1 11 11 SER HA H 1 4.380 0.02 . 1 . . . A 11 SER HA . 25396 1 85 . 1 1 11 11 SER HB3 H 1 3.917 0.02 . 2 . . . A 11 SER HB3 . 25396 1 86 . 1 1 11 11 SER C C 13 174.050 0.2 . 1 . . . A 11 SER C . 25396 1 87 . 1 1 11 11 SER CA C 13 59.245 0.2 . 1 . . . A 11 SER CA . 25396 1 88 . 1 1 11 11 SER CB C 13 64.276 0.2 . 1 . . . A 11 SER CB . 25396 1 89 . 1 1 11 11 SER N N 15 112.823 0.2 . 1 . . . A 11 SER N . 25396 1 90 . 1 1 12 12 ASP H H 1 8.195 0.02 . 1 . . . A 12 ASP H . 25396 1 91 . 1 1 12 12 ASP HA H 1 4.664 0.02 . 1 . . . A 12 ASP HA . 25396 1 92 . 1 1 12 12 ASP HB2 H 1 2.720 0.02 . 2 . . . A 12 ASP HB2 . 25396 1 93 . 1 1 12 12 ASP HB3 H 1 2.590 0.02 . 2 . . . A 12 ASP HB3 . 25396 1 94 . 1 1 12 12 ASP C C 13 175.636 0.2 . 1 . . . A 12 ASP C . 25396 1 95 . 1 1 12 12 ASP CA C 13 54.518 0.2 . 1 . . . A 12 ASP CA . 25396 1 96 . 1 1 12 12 ASP CB C 13 41.089 0.2 . 1 . . . A 12 ASP CB . 25396 1 97 . 1 1 12 12 ASP N N 15 120.402 0.2 . 1 . . . A 12 ASP N . 25396 1 98 . 1 1 13 13 LEU H H 1 7.788 0.02 . 1 . . . A 13 LEU H . 25396 1 99 . 1 1 13 13 LEU HA H 1 3.903 0.02 . 1 . . . A 13 LEU HA . 25396 1 100 . 1 1 13 13 LEU HG H 1 1.644 0.02 . 1 . . . A 13 LEU HG . 25396 1 101 . 1 1 13 13 LEU HD21 H 1 0.877 0.02 . 2 . . . A 13 LEU HD21 . 25396 1 102 . 1 1 13 13 LEU HD22 H 1 0.877 0.02 . 2 . . . A 13 LEU HD22 . 25396 1 103 . 1 1 13 13 LEU HD23 H 1 0.877 0.02 . 1 . . . A 13 LEU HD23 . 25396 1 104 . 1 1 13 13 LEU C C 13 176.093 0.2 . 1 . . . A 13 LEU C . 25396 1 105 . 1 1 13 13 LEU CA C 13 54.560 0.2 . 1 . . . A 13 LEU CA . 25396 1 106 . 1 1 13 13 LEU CB C 13 43.460 0.2 . 1 . . . A 13 LEU CB . 25396 1 107 . 1 1 13 13 LEU N N 15 120.231 0.2 . 1 . . . A 13 LEU N . 25396 1 108 . 1 1 14 14 ASP H H 1 8.275 0.02 . 1 . . . A 14 ASP H . 25396 1 109 . 1 1 14 14 ASP HA H 1 4.300 0.02 . 1 . . . A 14 ASP HA . 25396 1 110 . 1 1 14 14 ASP HB2 H 1 2.760 0.02 . 2 . . . A 14 ASP HB2 . 25396 1 111 . 1 1 14 14 ASP HB3 H 1 2.610 0.02 . 2 . . . A 14 ASP HB3 . 25396 1 112 . 1 1 14 14 ASP CA C 13 53.385 0.2 . 1 . . . A 14 ASP CA . 25396 1 113 . 1 1 14 14 ASP CB C 13 42.933 0.2 . 1 . . . A 14 ASP CB . 25396 1 114 . 1 1 14 14 ASP N N 15 123.266 0.2 . 1 . . . A 14 ASP N . 25396 1 115 . 1 1 16 16 LEU HA H 1 4.177 0.02 . 1 . . . A 16 LEU HA . 25396 1 116 . 1 1 16 16 LEU HB3 H 1 1.841 0.02 . 2 . . . A 16 LEU HB3 . 25396 1 117 . 1 1 16 16 LEU C C 13 178.250 0.2 . 1 . . . A 16 LEU C . 25396 1 118 . 1 1 16 16 LEU CA C 13 58.378 0.2 . 1 . . . A 16 LEU CA . 25396 1 119 . 1 1 16 16 LEU CB C 13 41.141 0.2 . 1 . . . A 16 LEU CB . 25396 1 120 . 1 1 17 17 ILE H H 1 7.834 0.02 . 1 . . . A 17 ILE H . 25396 1 121 . 1 1 17 17 ILE HA H 1 3.669 0.02 . 1 . . . A 17 ILE HA . 25396 1 122 . 1 1 17 17 ILE HG21 H 1 0.903 0.02 . 1 . . . A 17 ILE HG21 . 25396 1 123 . 1 1 17 17 ILE HG22 H 1 0.903 0.02 . 1 . . . A 17 ILE HG22 . 25396 1 124 . 1 1 17 17 ILE HG23 H 1 0.903 0.02 . 1 . . . A 17 ILE HG23 . 25396 1 125 . 1 1 17 17 ILE HD11 H 1 1.288 0.02 . 4 . . . A 17 ILE HD11 . 25396 1 126 . 1 1 17 17 ILE HD12 H 1 1.288 0.02 . 4 . . . A 17 ILE HD12 . 25396 1 127 . 1 1 17 17 ILE HD13 H 1 1.288 0.02 . 4 . . . A 17 ILE HD13 . 25396 1 128 . 1 1 17 17 ILE C C 13 179.233 0.2 . 1 . . . A 17 ILE C . 25396 1 129 . 1 1 17 17 ILE CA C 13 64.294 0.2 . 1 . . . A 17 ILE CA . 25396 1 130 . 1 1 17 17 ILE CB C 13 36.692 0.2 . 1 . . . A 17 ILE CB . 25396 1 131 . 1 1 17 17 ILE N N 15 118.944 0.2 . 1 . . . A 17 ILE N . 25396 1 132 . 1 1 18 18 LEU H H 1 8.259 0.02 . 1 . . . A 18 LEU H . 25396 1 133 . 1 1 18 18 LEU HA H 1 4.056 0.02 . 1 . . . A 18 LEU HA . 25396 1 134 . 1 1 18 18 LEU HB3 H 1 1.713 0.02 . 2 . . . A 18 LEU HB3 . 25396 1 135 . 1 1 18 18 LEU HG H 1 1.667 0.02 . 1 . . . A 18 LEU HG . 25396 1 136 . 1 1 18 18 LEU HD11 H 1 1.287 0.02 . 2 . . . A 18 LEU HD11 . 25396 1 137 . 1 1 18 18 LEU HD12 H 1 1.287 0.02 . 2 . . . A 18 LEU HD12 . 25396 1 138 . 1 1 18 18 LEU HD13 H 1 1.287 0.02 . 2 . . . A 18 LEU HD13 . 25396 1 139 . 1 1 18 18 LEU HD21 H 1 0.903 0.02 . 2 . . . A 18 LEU HD21 . 25396 1 140 . 1 1 18 18 LEU HD22 H 1 0.903 0.02 . 2 . . . A 18 LEU HD22 . 25396 1 141 . 1 1 18 18 LEU HD23 H 1 0.903 0.02 . 1 . . . A 18 LEU HD23 . 25396 1 142 . 1 1 18 18 LEU C C 13 177.734 0.2 . 1 . . . A 18 LEU C . 25396 1 143 . 1 1 18 18 LEU CA C 13 58.886 0.2 . 1 . . . A 18 LEU CA . 25396 1 144 . 1 1 18 18 LEU CB C 13 41.850 0.2 . 1 . . . A 18 LEU CB . 25396 1 145 . 1 1 18 18 LEU N N 15 121.989 0.2 . 1 . . . A 18 LEU N . 25396 1 146 . 1 1 19 19 THR H H 1 7.972 0.02 . 1 . . . A 19 THR H . 25396 1 147 . 1 1 19 19 THR HA H 1 4.331 0.02 . 1 . . . A 19 THR HA . 25396 1 148 . 1 1 19 19 THR HG21 H 1 1.672 0.02 . 1 . . . A 19 THR HG21 . 25396 1 149 . 1 1 19 19 THR HG22 H 1 1.672 0.02 . 1 . . . A 19 THR HG22 . 25396 1 150 . 1 1 19 19 THR HG23 H 1 1.672 0.02 . 1 . . . A 19 THR HG23 . 25396 1 151 . 1 1 19 19 THR CA C 13 68.378 0.2 . 1 . . . A 19 THR CA . 25396 1 152 . 1 1 19 19 THR N N 15 115.308 0.2 . 1 . . . A 19 THR N . 25396 1 153 . 1 1 20 20 LEU H H 1 8.315 0.02 . 1 . . . A 20 LEU H . 25396 1 154 . 1 1 20 20 LEU HA H 1 3.981 0.02 . 1 . . . A 20 LEU HA . 25396 1 155 . 1 1 20 20 LEU HB2 H 1 1.599 0.02 . 2 . . . A 20 LEU HB2 . 25396 1 156 . 1 1 20 20 LEU HB3 H 1 2.029 0.02 . 2 . . . A 20 LEU HB3 . 25396 1 157 . 1 1 20 20 LEU HD21 H 1 0.811 0.02 . 2 . . . A 20 LEU HD21 . 25396 1 158 . 1 1 20 20 LEU HD22 H 1 0.811 0.02 . 2 . . . A 20 LEU HD22 . 25396 1 159 . 1 1 20 20 LEU HD23 H 1 0.811 0.02 . 2 . . . A 20 LEU HD23 . 25396 1 160 . 1 1 20 20 LEU C C 13 178.238 0.2 . 1 . . . A 20 LEU C . 25396 1 161 . 1 1 20 20 LEU CA C 13 58.550 0.2 . 1 . . . A 20 LEU CA . 25396 1 162 . 1 1 20 20 LEU CB C 13 41.844 0.2 . 1 . . . A 20 LEU CB . 25396 1 163 . 1 1 20 20 LEU N N 15 119.402 0.2 . 1 . . . A 20 LEU N . 25396 1 164 . 1 1 21 21 SER H H 1 8.208 0.02 . 1 . . . A 21 SER H . 25396 1 165 . 1 1 21 21 SER HA H 1 4.180 0.02 . 1 . . . A 21 SER HA . 25396 1 166 . 1 1 21 21 SER C C 13 175.117 0.2 . 1 . . . A 21 SER C . 25396 1 167 . 1 1 21 21 SER CA C 13 63.721 0.2 . 1 . . . A 21 SER CA . 25396 1 168 . 1 1 21 21 SER CB C 13 63.004 0.2 . 1 . . . A 21 SER CB . 25396 1 169 . 1 1 21 21 SER N N 15 114.702 0.2 . 1 . . . A 21 SER N . 25396 1 170 . 1 1 22 22 LEU H H 1 7.942 0.02 . 1 . . . A 22 LEU H . 25396 1 171 . 1 1 22 22 LEU HA H 1 4.039 0.02 . 1 . . . A 22 LEU HA . 25396 1 172 . 1 1 22 22 LEU HB3 H 1 1.785 0.02 . 2 . . . A 22 LEU HB3 . 25396 1 173 . 1 1 22 22 LEU HD21 H 1 0.824 0.02 . 2 . . . A 22 LEU HD21 . 25396 1 174 . 1 1 22 22 LEU HD22 H 1 0.824 0.02 . 2 . . . A 22 LEU HD22 . 25396 1 175 . 1 1 22 22 LEU HD23 H 1 0.824 0.02 . 2 . . . A 22 LEU HD23 . 25396 1 176 . 1 1 22 22 LEU C C 13 178.509 0.2 . 1 . . . A 22 LEU C . 25396 1 177 . 1 1 22 22 LEU CA C 13 58.110 0.2 . 1 . . . A 22 LEU CA . 25396 1 178 . 1 1 22 22 LEU CB C 13 41.754 0.2 . 1 . . . A 22 LEU CB . 25396 1 179 . 1 1 22 22 LEU N N 15 121.089 0.2 . 1 . . . A 22 LEU N . 25396 1 180 . 1 1 23 23 ILE H H 1 8.062 0.02 . 1 . . . A 23 ILE H . 25396 1 181 . 1 1 23 23 ILE HA H 1 3.623 0.02 . 1 . . . A 23 ILE HA . 25396 1 182 . 1 1 23 23 ILE HB H 1 2.099 0.02 . 1 . . . A 23 ILE HB . 25396 1 183 . 1 1 23 23 ILE HG21 H 1 0.824 0.02 . 1 . . . A 23 ILE HG21 . 25396 1 184 . 1 1 23 23 ILE HG22 H 1 0.824 0.02 . 1 . . . A 23 ILE HG22 . 25396 1 185 . 1 1 23 23 ILE HG23 H 1 0.824 0.02 . 1 . . . A 23 ILE HG23 . 25396 1 186 . 1 1 23 23 ILE HD11 H 1 1.020 0.02 . 4 . . . A 23 ILE HD11 . 25396 1 187 . 1 1 23 23 ILE HD12 H 1 1.020 0.02 . 4 . . . A 23 ILE HD12 . 25396 1 188 . 1 1 23 23 ILE HD13 H 1 1.020 0.02 . 4 . . . A 23 ILE HD13 . 25396 1 189 . 1 1 23 23 ILE C C 13 177.232 0.2 . 1 . . . A 23 ILE C . 25396 1 190 . 1 1 23 23 ILE CA C 13 65.729 0.2 . 1 . . . A 23 ILE CA . 25396 1 191 . 1 1 23 23 ILE CB C 13 37.232 0.2 . 1 . . . A 23 ILE CB . 25396 1 192 . 1 1 23 23 ILE N N 15 118.365 0.2 . 1 . . . A 23 ILE N . 25396 1 193 . 1 1 24 24 LEU H H 1 8.265 0.02 . 1 . . . A 24 LEU H . 25396 1 194 . 1 1 24 24 LEU HA H 1 4.030 0.02 . 1 . . . A 24 LEU HA . 25396 1 195 . 1 1 24 24 LEU HB2 H 1 1.618 0.02 . 2 . . . A 24 LEU HB2 . 25396 1 196 . 1 1 24 24 LEU HB3 H 1 1.963 0.02 . 2 . . . A 24 LEU HB3 . 25396 1 197 . 1 1 24 24 LEU HD21 H 1 0.797 0.02 . 2 . . . A 24 LEU HD21 . 25396 1 198 . 1 1 24 24 LEU HD22 H 1 0.797 0.02 . 2 . . . A 24 LEU HD22 . 25396 1 199 . 1 1 24 24 LEU HD23 H 1 0.797 0.02 . 2 . . . A 24 LEU HD23 . 25396 1 200 . 1 1 24 24 LEU C C 13 179.936 0.2 . 1 . . . A 24 LEU C . 25396 1 201 . 1 1 24 24 LEU CA C 13 58.475 0.2 . 1 . . . A 24 LEU CA . 25396 1 202 . 1 1 24 24 LEU CB C 13 41.729 0.2 . 1 . . . A 24 LEU CB . 25396 1 203 . 1 1 24 24 LEU N N 15 119.242 0.2 . 1 . . . A 24 LEU N . 25396 1 204 . 1 1 25 25 VAL H H 1 8.339 0.02 . 1 . . . A 25 VAL H . 25396 1 205 . 1 1 25 25 VAL HA H 1 3.550 0.02 . 1 . . . A 25 VAL HA . 25396 1 206 . 1 1 25 25 VAL HB H 1 2.227 0.02 . 1 . . . A 25 VAL HB . 25396 1 207 . 1 1 25 25 VAL HG11 H 1 0.797 0.02 . 2 . . . A 25 VAL HG11 . 25396 1 208 . 1 1 25 25 VAL HG12 H 1 0.797 0.02 . 2 . . . A 25 VAL HG12 . 25396 1 209 . 1 1 25 25 VAL HG13 H 1 0.797 0.02 . 2 . . . A 25 VAL HG13 . 25396 1 210 . 1 1 25 25 VAL HG21 H 1 0.983 0.02 . 2 . . . A 25 VAL HG21 . 25396 1 211 . 1 1 25 25 VAL HG22 H 1 0.983 0.02 . 2 . . . A 25 VAL HG22 . 25396 1 212 . 1 1 25 25 VAL HG23 H 1 0.983 0.02 . 2 . . . A 25 VAL HG23 . 25396 1 213 . 1 1 25 25 VAL C C 13 177.182 0.2 . 1 . . . A 25 VAL C . 25396 1 214 . 1 1 25 25 VAL CA C 13 67.383 0.2 . 1 . . . A 25 VAL CA . 25396 1 215 . 1 1 25 25 VAL CB C 13 31.383 0.2 . 1 . . . A 25 VAL CB . 25396 1 216 . 1 1 25 25 VAL N N 15 121.096 0.2 . 1 . . . A 25 VAL N . 25396 1 217 . 1 1 26 26 LEU H H 1 8.362 0.02 . 1 . . . A 26 LEU H . 25396 1 218 . 1 1 26 26 LEU HA H 1 4.007 0.02 . 1 . . . A 26 LEU HA . 25396 1 219 . 1 1 26 26 LEU HB2 H 1 1.658 0.02 . 2 . . . A 26 LEU HB2 . 25396 1 220 . 1 1 26 26 LEU HB3 H 1 1.860 0.02 . 2 . . . A 26 LEU HB3 . 25396 1 221 . 1 1 26 26 LEU HG H 1 1.600 0.02 . 1 . . . A 26 LEU HG . 25396 1 222 . 1 1 26 26 LEU HD11 H 1 0.996 0.02 . 2 . . . A 26 LEU HD11 . 25396 1 223 . 1 1 26 26 LEU HD12 H 1 0.996 0.02 . 2 . . . A 26 LEU HD12 . 25396 1 224 . 1 1 26 26 LEU HD13 H 1 0.996 0.02 . 2 . . . A 26 LEU HD13 . 25396 1 225 . 1 1 26 26 LEU HD21 H 1 0.771 0.02 . 2 . . . A 26 LEU HD21 . 25396 1 226 . 1 1 26 26 LEU HD22 H 1 0.771 0.02 . 2 . . . A 26 LEU HD22 . 25396 1 227 . 1 1 26 26 LEU HD23 H 1 0.771 0.02 . 1 . . . A 26 LEU HD23 . 25396 1 228 . 1 1 26 26 LEU C C 13 178.701 0.2 . 1 . . . A 26 LEU C . 25396 1 229 . 1 1 26 26 LEU CA C 13 58.776 0.2 . 1 . . . A 26 LEU CA . 25396 1 230 . 1 1 26 26 LEU CB C 13 41.812 0.2 . 1 . . . A 26 LEU CB . 25396 1 231 . 1 1 26 26 LEU N N 15 120.012 0.2 . 1 . . . A 26 LEU N . 25396 1 232 . 1 1 27 27 ILE H H 1 8.693 0.02 . 1 . . . A 27 ILE H . 25396 1 233 . 1 1 27 27 ILE HA H 1 3.649 0.02 . 1 . . . A 27 ILE HA . 25396 1 234 . 1 1 27 27 ILE HB H 1 1.988 0.02 . 1 . . . A 27 ILE HB . 25396 1 235 . 1 1 27 27 ILE HG21 H 1 0.824 0.02 . 1 . . . A 27 ILE HG21 . 25396 1 236 . 1 1 27 27 ILE HG22 H 1 0.824 0.02 . 1 . . . A 27 ILE HG22 . 25396 1 237 . 1 1 27 27 ILE HG23 H 1 0.824 0.02 . 1 . . . A 27 ILE HG23 . 25396 1 238 . 1 1 27 27 ILE HD11 H 1 1.075 0.02 . 4 . . . A 27 ILE HD11 . 25396 1 239 . 1 1 27 27 ILE HD12 H 1 1.075 0.02 . 4 . . . A 27 ILE HD12 . 25396 1 240 . 1 1 27 27 ILE HD13 H 1 1.075 0.02 . 4 . . . A 27 ILE HD13 . 25396 1 241 . 1 1 27 27 ILE C C 13 177.465 0.2 . 1 . . . A 27 ILE C . 25396 1 242 . 1 1 27 27 ILE CA C 13 65.447 0.2 . 1 . . . A 27 ILE CA . 25396 1 243 . 1 1 27 27 ILE CB C 13 37.525 0.2 . 1 . . . A 27 ILE CB . 25396 1 244 . 1 1 27 27 ILE N N 15 117.280 0.2 . 1 . . . A 27 ILE N . 25396 1 245 . 1 1 28 28 SER H H 1 8.174 0.02 . 1 . . . A 28 SER H . 25396 1 246 . 1 1 28 28 SER HA H 1 4.005 0.02 . 1 . . . A 28 SER HA . 25396 1 247 . 1 1 28 28 SER C C 13 177.161 0.2 . 1 . . . A 28 SER C . 25396 1 248 . 1 1 28 28 SER CA C 13 63.852 0.2 . 1 . . . A 28 SER CA . 25396 1 249 . 1 1 28 28 SER CB C 13 62.718 0.2 . 1 . . . A 28 SER CB . 25396 1 250 . 1 1 28 28 SER N N 15 116.717 0.2 . 1 . . . A 28 SER N . 25396 1 251 . 1 1 29 29 LEU H H 1 8.459 0.02 . 1 . . . A 29 LEU H . 25396 1 252 . 1 1 29 29 LEU HA H 1 4.082 0.02 . 1 . . . A 29 LEU HA . 25396 1 253 . 1 1 29 29 LEU HB3 H 1 1.713 0.02 . 2 . . . A 29 LEU HB3 . 25396 1 254 . 1 1 29 29 LEU C C 13 178.046 0.2 . 1 . . . A 29 LEU C . 25396 1 255 . 1 1 29 29 LEU CA C 13 58.283 0.2 . 1 . . . A 29 LEU CA . 25396 1 256 . 1 1 29 29 LEU CB C 13 41.849 0.2 . 1 . . . A 29 LEU CB . 25396 1 257 . 1 1 29 29 LEU N N 15 124.297 0.2 . 1 . . . A 29 LEU N . 25396 1 258 . 1 1 30 30 LEU H H 1 8.311 0.02 . 1 . . . A 30 LEU H . 25396 1 259 . 1 1 30 30 LEU HA H 1 3.968 0.02 . 1 . . . A 30 LEU HA . 25396 1 260 . 1 1 30 30 LEU HB3 H 1 1.752 0.02 . 2 . . . A 30 LEU HB3 . 25396 1 261 . 1 1 30 30 LEU HD11 H 1 1.120 0.02 . 2 . . . A 30 LEU HD11 . 25396 1 262 . 1 1 30 30 LEU HD12 H 1 1.120 0.02 . 2 . . . A 30 LEU HD12 . 25396 1 263 . 1 1 30 30 LEU HD13 H 1 1.120 0.02 . 2 . . . A 30 LEU HD13 . 25396 1 264 . 1 1 30 30 LEU C C 13 178.567 0.2 . 1 . . . A 30 LEU C . 25396 1 265 . 1 1 30 30 LEU CA C 13 58.500 0.2 . 1 . . . A 30 LEU CA . 25396 1 266 . 1 1 30 30 LEU CB C 13 41.750 0.2 . 1 . . . A 30 LEU CB . 25396 1 267 . 1 1 30 30 LEU N N 15 119.387 0.2 . 1 . . . A 30 LEU N . 25396 1 268 . 1 1 31 31 LEU H H 1 8.594 0.02 . 1 . . . A 31 LEU H . 25396 1 269 . 1 1 31 31 LEU HA H 1 4.003 0.02 . 1 . . . A 31 LEU HA . 25396 1 270 . 1 1 31 31 LEU HB2 H 1 1.483 0.02 . 2 . . . A 31 LEU HB2 . 25396 1 271 . 1 1 31 31 LEU HB3 H 1 1.926 0.02 . 2 . . . A 31 LEU HB3 . 25396 1 272 . 1 1 31 31 LEU HG H 1 1.433 0.02 . 1 . . . A 31 LEU HG . 25396 1 273 . 1 1 31 31 LEU HD11 H 1 1.062 0.02 . 2 . . . A 31 LEU HD11 . 25396 1 274 . 1 1 31 31 LEU HD12 H 1 1.062 0.02 . 2 . . . A 31 LEU HD12 . 25396 1 275 . 1 1 31 31 LEU HD13 H 1 1.062 0.02 . 2 . . . A 31 LEU HD13 . 25396 1 276 . 1 1 31 31 LEU HD21 H 1 0.811 0.02 . 2 . . . A 31 LEU HD21 . 25396 1 277 . 1 1 31 31 LEU HD22 H 1 0.811 0.02 . 2 . . . A 31 LEU HD22 . 25396 1 278 . 1 1 31 31 LEU HD23 H 1 0.811 0.02 . 1 . . . A 31 LEU HD23 . 25396 1 279 . 1 1 31 31 LEU C C 13 178.330 0.2 . 1 . . . A 31 LEU C . 25396 1 280 . 1 1 31 31 LEU CA C 13 58.341 0.2 . 1 . . . A 31 LEU CA . 25396 1 281 . 1 1 31 31 LEU CB C 13 41.711 0.2 . 1 . . . A 31 LEU CB . 25396 1 282 . 1 1 31 31 LEU N N 15 117.058 0.2 . 1 . . . A 31 LEU N . 25396 1 283 . 1 1 32 32 THR H H 1 7.875 0.02 . 1 . . . A 32 THR H . 25396 1 284 . 1 1 32 32 THR HA H 1 4.370 0.02 . 1 . . . A 32 THR HA . 25396 1 285 . 1 1 32 32 THR C C 13 176.260 0.2 . 1 . . . A 32 THR C . 25396 1 286 . 1 1 32 32 THR CA C 13 68.551 0.2 . 1 . . . A 32 THR CA . 25396 1 287 . 1 1 32 32 THR CB C 13 67.715 0.2 . 1 . . . A 32 THR CB . 25396 1 288 . 1 1 32 32 THR N N 15 116.127 0.2 . 1 . . . A 32 THR N . 25396 1 289 . 1 1 33 33 VAL H H 1 8.264 0.02 . 1 . . . A 33 VAL H . 25396 1 290 . 1 1 33 33 VAL HA H 1 3.572 0.02 . 1 . . . A 33 VAL HA . 25396 1 291 . 1 1 33 33 VAL HB H 1 2.356 0.02 . 1 . . . A 33 VAL HB . 25396 1 292 . 1 1 33 33 VAL HG11 H 1 0.800 0.02 . 2 . . . A 33 VAL HG11 . 25396 1 293 . 1 1 33 33 VAL HG12 H 1 0.800 0.02 . 2 . . . A 33 VAL HG12 . 25396 1 294 . 1 1 33 33 VAL HG13 H 1 0.800 0.02 . 2 . . . A 33 VAL HG13 . 25396 1 295 . 1 1 33 33 VAL HG21 H 1 0.889 0.02 . 2 . . . A 33 VAL HG21 . 25396 1 296 . 1 1 33 33 VAL HG22 H 1 0.889 0.02 . 2 . . . A 33 VAL HG22 . 25396 1 297 . 1 1 33 33 VAL HG23 H 1 0.889 0.02 . 2 . . . A 33 VAL HG23 . 25396 1 298 . 1 1 33 33 VAL C C 13 177.495 0.2 . 1 . . . A 33 VAL C . 25396 1 299 . 1 1 33 33 VAL CA C 13 67.601 0.2 . 1 . . . A 33 VAL CA . 25396 1 300 . 1 1 33 33 VAL CB C 13 31.378 0.2 . 1 . . . A 33 VAL CB . 25396 1 301 . 1 1 33 33 VAL N N 15 120.379 0.2 . 1 . . . A 33 VAL N . 25396 1 302 . 1 1 34 34 LEU H H 1 8.331 0.02 . 1 . . . A 34 LEU H . 25396 1 303 . 1 1 34 34 LEU HA H 1 4.084 0.02 . 1 . . . A 34 LEU HA . 25396 1 304 . 1 1 34 34 LEU HB2 H 1 1.608 0.02 . 2 . . . A 34 LEU HB2 . 25396 1 305 . 1 1 34 34 LEU HB3 H 1 1.988 0.02 . 2 . . . A 34 LEU HB3 . 25396 1 306 . 1 1 34 34 LEU HD11 H 1 1.009 0.02 . 2 . . . A 34 LEU HD11 . 25396 1 307 . 1 1 34 34 LEU HD12 H 1 1.009 0.02 . 2 . . . A 34 LEU HD12 . 25396 1 308 . 1 1 34 34 LEU HD13 H 1 1.009 0.02 . 2 . . . A 34 LEU HD13 . 25396 1 309 . 1 1 34 34 LEU HD21 H 1 0.868 0.02 . 2 . . . A 34 LEU HD21 . 25396 1 310 . 1 1 34 34 LEU HD22 H 1 0.868 0.02 . 2 . . . A 34 LEU HD22 . 25396 1 311 . 1 1 34 34 LEU HD23 H 1 0.868 0.02 . 2 . . . A 34 LEU HD23 . 25396 1 312 . 1 1 34 34 LEU C C 13 179.313 0.2 . 1 . . . A 34 LEU C . 25396 1 313 . 1 1 34 34 LEU CA C 13 58.416 0.2 . 1 . . . A 34 LEU CA . 25396 1 314 . 1 1 34 34 LEU CB C 13 41.778 0.2 . 1 . . . A 34 LEU CB . 25396 1 315 . 1 1 34 34 LEU N N 15 118.525 0.2 . 1 . . . A 34 LEU N . 25396 1 316 . 1 1 35 35 ALA H H 1 8.586 0.02 . 1 . . . A 35 ALA H . 25396 1 317 . 1 1 35 35 ALA HA H 1 4.081 0.02 . 1 . . . A 35 ALA HA . 25396 1 318 . 1 1 35 35 ALA HB1 H 1 1.609 0.02 . 1 . . . A 35 ALA HB1 . 25396 1 319 . 1 1 35 35 ALA HB2 H 1 1.609 0.02 . 1 . . . A 35 ALA HB2 . 25396 1 320 . 1 1 35 35 ALA HB3 H 1 1.609 0.02 . 1 . . . A 35 ALA HB3 . 25396 1 321 . 1 1 35 35 ALA C C 13 179.791 0.2 . 1 . . . A 35 ALA C . 25396 1 322 . 1 1 35 35 ALA CA C 13 55.567 0.2 . 1 . . . A 35 ALA CA . 25396 1 323 . 1 1 35 35 ALA CB C 13 18.466 0.2 . 1 . . . A 35 ALA CB . 25396 1 324 . 1 1 35 35 ALA N N 15 122.077 0.2 . 1 . . . A 35 ALA N . 25396 1 325 . 1 1 36 36 LEU H H 1 8.382 0.02 . 1 . . . A 36 LEU H . 25396 1 326 . 1 1 36 36 LEU HA H 1 4.148 0.02 . 1 . . . A 36 LEU HA . 25396 1 327 . 1 1 36 36 LEU HB2 H 1 1.766 0.02 . 2 . . . A 36 LEU HB2 . 25396 1 328 . 1 1 36 36 LEU HB3 H 1 1.933 0.02 . 2 . . . A 36 LEU HB3 . 25396 1 329 . 1 1 36 36 LEU HD21 H 1 0.853 0.02 . 2 . . . A 36 LEU HD21 . 25396 1 330 . 1 1 36 36 LEU HD22 H 1 0.853 0.02 . 2 . . . A 36 LEU HD22 . 25396 1 331 . 1 1 36 36 LEU HD23 H 1 0.853 0.02 . 2 . . . A 36 LEU HD23 . 25396 1 332 . 1 1 36 36 LEU C C 13 178.875 0.2 . 1 . . . A 36 LEU C . 25396 1 333 . 1 1 36 36 LEU CA C 13 58.079 0.2 . 1 . . . A 36 LEU CA . 25396 1 334 . 1 1 36 36 LEU CB C 13 42.311 0.2 . 1 . . . A 36 LEU CB . 25396 1 335 . 1 1 36 36 LEU N N 15 118.274 0.2 . 1 . . . A 36 LEU N . 25396 1 336 . 1 1 37 37 LEU H H 1 8.431 0.02 . 1 . . . A 37 LEU H . 25396 1 337 . 1 1 37 37 LEU HA H 1 4.302 0.02 . 1 . . . A 37 LEU HA . 25396 1 338 . 1 1 37 37 LEU HG H 1 1.530 0.02 . 1 . . . A 37 LEU HG . 25396 1 339 . 1 1 37 37 LEU HD11 H 1 1.270 0.02 . 2 . . . A 37 LEU HD11 . 25396 1 340 . 1 1 37 37 LEU HD12 H 1 1.270 0.02 . 2 . . . A 37 LEU HD12 . 25396 1 341 . 1 1 37 37 LEU HD13 H 1 1.270 0.02 . 2 . . . A 37 LEU HD13 . 25396 1 342 . 1 1 37 37 LEU HD21 H 1 0.869 0.02 . 2 . . . A 37 LEU HD21 . 25396 1 343 . 1 1 37 37 LEU HD22 H 1 0.869 0.02 . 2 . . . A 37 LEU HD22 . 25396 1 344 . 1 1 37 37 LEU HD23 H 1 0.869 0.02 . 1 . . . A 37 LEU HD23 . 25396 1 345 . 1 1 37 37 LEU C C 13 179.364 0.2 . 1 . . . A 37 LEU C . 25396 1 346 . 1 1 37 37 LEU CA C 13 57.510 0.2 . 1 . . . A 37 LEU CA . 25396 1 347 . 1 1 37 37 LEU CB C 13 42.141 0.2 . 1 . . . A 37 LEU CB . 25396 1 348 . 1 1 37 37 LEU N N 15 117.223 0.2 . 1 . . . A 37 LEU N . 25396 1 349 . 1 1 38 38 SER H H 1 8.108 0.02 . 1 . . . A 38 SER H . 25396 1 350 . 1 1 38 38 SER HA H 1 4.328 0.02 . 1 . . . A 38 SER HA . 25396 1 351 . 1 1 38 38 SER HB3 H 1 3.905 0.02 . 2 . . . A 38 SER HB3 . 25396 1 352 . 1 1 38 38 SER C C 13 175.318 0.2 . 1 . . . A 38 SER C . 25396 1 353 . 1 1 38 38 SER CA C 13 61.127 0.2 . 1 . . . A 38 SER CA . 25396 1 354 . 1 1 38 38 SER CB C 13 63.806 0.2 . 1 . . . A 38 SER CB . 25396 1 355 . 1 1 38 38 SER N N 15 113.554 0.2 . 1 . . . A 38 SER N . 25396 1 356 . 1 1 39 39 HIS H H 1 7.973 0.02 . 1 . . . A 39 HIS H . 25396 1 357 . 1 1 39 39 HIS HA H 1 4.097 0.02 . 1 . . . A 39 HIS HA . 25396 1 358 . 1 1 39 39 HIS CA C 13 57.060 0.2 . 1 . . . A 39 HIS CA . 25396 1 359 . 1 1 39 39 HIS CB C 13 30.423 0.2 . 1 . . . A 39 HIS CB . 25396 1 360 . 1 1 39 39 HIS N N 15 119.173 0.2 . 1 . . . A 39 HIS N . 25396 1 361 . 1 1 40 40 ARG H H 1 7.794 0.02 . 1 . . . A 40 ARG H . 25396 1 362 . 1 1 40 40 ARG HA H 1 4.302 0.02 . 1 . . . A 40 ARG HA . 25396 1 363 . 1 1 40 40 ARG HG3 H 1 1.988 0.02 . 2 . . . A 40 ARG HG3 . 25396 1 364 . 1 1 40 40 ARG CA C 13 58.822 0.2 . 1 . . . A 40 ARG CA . 25396 1 365 . 1 1 40 40 ARG CB C 13 29.820 0.2 . 1 . . . A 40 ARG CB . 25396 1 366 . 1 1 40 40 ARG N N 15 119.999 0.2 . 1 . . . A 40 ARG N . 25396 1 367 . 1 1 41 41 ARG HA H 1 4.221 0.02 . 1 . . . A 41 ARG HA . 25396 1 368 . 1 1 41 41 ARG HB3 H 1 2.034 0.02 . 2 . . . A 41 ARG HB3 . 25396 1 369 . 1 1 41 41 ARG C C 13 178.048 0.2 . 1 . . . A 41 ARG C . 25396 1 370 . 1 1 41 41 ARG CA C 13 58.858 0.2 . 1 . . . A 41 ARG CA . 25396 1 371 . 1 1 41 41 ARG CB C 13 29.793 0.2 . 1 . . . A 41 ARG CB . 25396 1 372 . 1 1 42 42 THR H H 1 7.828 0.02 . 1 . . . A 42 THR H . 25396 1 373 . 1 1 42 42 THR HA H 1 4.079 0.02 . 1 . . . A 42 THR HA . 25396 1 374 . 1 1 42 42 THR C C 13 176.282 0.2 . 1 . . . A 42 THR C . 25396 1 375 . 1 1 42 42 THR CA C 13 64.984 0.2 . 1 . . . A 42 THR CA . 25396 1 376 . 1 1 42 42 THR CB C 13 68.873 0.2 . 1 . . . A 42 THR CB . 25396 1 377 . 1 1 42 42 THR N N 15 114.289 0.2 . 1 . . . A 42 THR N . 25396 1 378 . 1 1 43 43 LEU H H 1 7.940 0.02 . 1 . . . A 43 LEU H . 25396 1 379 . 1 1 43 43 LEU HA H 1 4.110 0.02 . 1 . . . A 43 LEU HA . 25396 1 380 . 1 1 43 43 LEU HB3 H 1 1.624 0.02 . 2 . . . A 43 LEU HB3 . 25396 1 381 . 1 1 43 43 LEU HD21 H 1 0.870 0.02 . 2 . . . A 43 LEU HD21 . 25396 1 382 . 1 1 43 43 LEU HD22 H 1 0.870 0.02 . 2 . . . A 43 LEU HD22 . 25396 1 383 . 1 1 43 43 LEU HD23 H 1 0.870 0.02 . 2 . . . A 43 LEU HD23 . 25396 1 384 . 1 1 43 43 LEU C C 13 178.245 0.2 . 1 . . . A 43 LEU C . 25396 1 385 . 1 1 43 43 LEU CA C 13 57.554 0.2 . 1 . . . A 43 LEU CA . 25396 1 386 . 1 1 43 43 LEU CB C 13 42.200 0.2 . 1 . . . A 43 LEU CB . 25396 1 387 . 1 1 43 43 LEU N N 15 120.680 0.2 . 1 . . . A 43 LEU N . 25396 1 388 . 1 1 44 44 GLN H H 1 8.475 0.02 . 1 . . . A 44 GLN H . 25396 1 389 . 1 1 44 44 GLN HA H 1 4.091 0.02 . 1 . . . A 44 GLN HA . 25396 1 390 . 1 1 44 44 GLN HB3 H 1 2.331 0.02 . 2 . . . A 44 GLN HB3 . 25396 1 391 . 1 1 44 44 GLN C C 13 177.248 0.2 . 1 . . . A 44 GLN C . 25396 1 392 . 1 1 44 44 GLN CA C 13 59.473 0.2 . 1 . . . A 44 GLN CA . 25396 1 393 . 1 1 44 44 GLN CB C 13 28.743 0.2 . 1 . . . A 44 GLN CB . 25396 1 394 . 1 1 44 44 GLN N N 15 118.111 0.2 . 1 . . . A 44 GLN N . 25396 1 395 . 1 1 45 45 GLN H H 1 7.760 0.02 . 1 . . . A 45 GLN H . 25396 1 396 . 1 1 45 45 GLN HA H 1 4.185 0.02 . 1 . . . A 45 GLN HA . 25396 1 397 . 1 1 45 45 GLN HB3 H 1 2.166 0.02 . 2 . . . A 45 GLN HB3 . 25396 1 398 . 1 1 45 45 GLN C C 13 176.580 0.2 . 1 . . . A 45 GLN C . 25396 1 399 . 1 1 45 45 GLN CA C 13 57.428 0.2 . 1 . . . A 45 GLN CA . 25396 1 400 . 1 1 45 45 GLN CB C 13 28.751 0.2 . 1 . . . A 45 GLN CB . 25396 1 401 . 1 1 45 45 GLN N N 15 116.055 0.2 . 1 . . . A 45 GLN N . 25396 1 402 . 1 1 46 46 LYS H H 1 7.619 0.02 . 1 . . . A 46 LYS H . 25396 1 403 . 1 1 46 46 LYS HA H 1 4.254 0.02 . 1 . . . A 46 LYS HA . 25396 1 404 . 1 1 46 46 LYS HB3 H 1 1.905 0.02 . 2 . . . A 46 LYS HB3 . 25396 1 405 . 1 1 46 46 LYS C C 13 176.674 0.2 . 1 . . . A 46 LYS C . 25396 1 406 . 1 1 46 46 LYS CA C 13 57.006 0.2 . 1 . . . A 46 LYS CA . 25396 1 407 . 1 1 46 46 LYS CB C 13 32.819 0.2 . 1 . . . A 46 LYS CB . 25396 1 408 . 1 1 46 46 LYS N N 15 116.804 0.2 . 1 . . . A 46 LYS N . 25396 1 409 . 1 1 47 47 ILE H H 1 7.578 0.02 . 1 . . . A 47 ILE H . 25396 1 410 . 1 1 47 47 ILE HA H 1 3.818 0.02 . 1 . . . A 47 ILE HA . 25396 1 411 . 1 1 47 47 ILE HB H 1 1.405 0.02 . 1 . . . A 47 ILE HB . 25396 1 412 . 1 1 47 47 ILE HG21 H 1 0.017 0.02 . 1 . . . A 47 ILE HG21 . 25396 1 413 . 1 1 47 47 ILE HG22 H 1 0.017 0.02 . 1 . . . A 47 ILE HG22 . 25396 1 414 . 1 1 47 47 ILE HG23 H 1 0.017 0.02 . 1 . . . A 47 ILE HG23 . 25396 1 415 . 1 1 47 47 ILE HD11 H 1 0.580 0.02 . 4 . . . A 47 ILE HD11 . 25396 1 416 . 1 1 47 47 ILE HD12 H 1 0.580 0.02 . 4 . . . A 47 ILE HD12 . 25396 1 417 . 1 1 47 47 ILE HD13 H 1 0.580 0.02 . 4 . . . A 47 ILE HD13 . 25396 1 418 . 1 1 47 47 ILE C C 13 174.706 0.2 . 1 . . . A 47 ILE C . 25396 1 419 . 1 1 47 47 ILE CA C 13 62.623 0.2 . 1 . . . A 47 ILE CA . 25396 1 420 . 1 1 47 47 ILE CB C 13 38.668 0.2 . 1 . . . A 47 ILE CB . 25396 1 421 . 1 1 47 47 ILE N N 15 116.588 0.2 . 1 . . . A 47 ILE N . 25396 1 422 . 1 1 48 48 TRP H H 1 7.935 0.02 . 1 . . . A 48 TRP H . 25396 1 423 . 1 1 48 48 TRP HA H 1 5.032 0.02 . 1 . . . A 48 TRP HA . 25396 1 424 . 1 1 48 48 TRP HB2 H 1 3.230 0.02 . 2 . . . A 48 TRP HB2 . 25396 1 425 . 1 1 48 48 TRP HB3 H 1 3.450 0.02 . 2 . . . A 48 TRP HB3 . 25396 1 426 . 1 1 48 48 TRP HE1 H 1 10.634 0.02 . 1 . . . A 48 TRP HE1 . 25396 1 427 . 1 1 48 48 TRP C C 13 173.578 0.2 . 1 . . . A 48 TRP C . 25396 1 428 . 1 1 48 48 TRP CA C 13 55.660 0.2 . 1 . . . A 48 TRP CA . 25396 1 429 . 1 1 48 48 TRP CB C 13 28.779 0.2 . 1 . . . A 48 TRP CB . 25396 1 430 . 1 1 48 48 TRP N N 15 118.822 0.2 . 1 . . . A 48 TRP N . 25396 1 431 . 1 1 48 48 TRP NE1 N 15 130.835 0.2 . 1 . . . A 48 TRP NE1 . 25396 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 1 125 25396 1 1 126 25396 1 1 127 25396 1 2 186 25396 1 2 187 25396 1 2 188 25396 1 3 238 25396 1 3 239 25396 1 3 240 25396 1 4 415 25396 1 4 416 25396 1 4 417 25396 1 stop_ save_