data_34001 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34001 _Entry.Title ; D11 bound [S39_PQ]-IGF-II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-23 _Entry.Accession_date 2016-05-23 _Entry.Last_release_date 2016-08-01 _Entry.Original_release_date 2016-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 R. Hexnerova R. . . . 34001 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IGF-II . 34001 'cell cycle' . 34001 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34001 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 184 34001 '15N chemical shifts' 71 34001 '1H chemical shifts' 458 34001 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 . . 2017-02-21 2016-05-23 update BMRB 'update entry citation' 34001 1 . . 2016-08-01 2016-05-23 original author 'original release' 34001 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34000 'D11 bound IGF-II' 34001 BMRB 34002 'D11 bound [N29, S39_PQ]-IGF-II' 34001 PDB 5L3M 'BMRB Entry Tracking System' 34001 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34001 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27510031 _Citation.Full_citation . _Citation.Title ; Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 291 _Citation.Journal_issue 40 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _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 21234 _Citation.Page_last 21245 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rozalie Hexnerova R. . . . 34001 1 2 Kvetoslava Krizkova K. . . . 34001 1 3 Milan Fabry M. . . . 34001 1 4 Irena Sieglova I. . . . 34001 1 5 Katerina Kedrova K. . . . 34001 1 6 Michaela Collinsova M. . . . 34001 1 7 Pavlina Ullrichova P. . . . 34001 1 8 Pavel Srb P. . . . 34001 1 9 Christopher Williams C. . . . 34001 1 10 Matthew Crump M. P. . . 34001 1 11 Zdenek Tosner Z. . . . 34001 1 12 Jiri Jiracek J. . . . 34001 1 13 Vaclav Veverka V. . . . 34001 1 14 Lenka Zakova L. . . . 34001 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34001 _Assembly.ID 1 _Assembly.Name 'Insulin-like growth factor II' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity_1 1 $entity_1 A A yes . . . . . . 34001 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34001 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Insulin-like growth factor II' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AYRPSETLCGGELVDTLQFV CGDRGFYFSRPASRVSRRSP QRGIVEECCFRSCDLALLET YCATPAKSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7709.715 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IGF-II na 34001 1 Somatomedin-A na 34001 1 'T3M-11-derived growth factor' na 34001 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 ALA . 34001 1 2 2 TYR . 34001 1 3 3 ARG . 34001 1 4 4 PRO . 34001 1 5 5 SER . 34001 1 6 6 GLU . 34001 1 7 7 THR . 34001 1 8 8 LEU . 34001 1 9 9 CYS . 34001 1 10 10 GLY . 34001 1 11 11 GLY . 34001 1 12 12 GLU . 34001 1 13 13 LEU . 34001 1 14 14 VAL . 34001 1 15 15 ASP . 34001 1 16 16 THR . 34001 1 17 17 LEU . 34001 1 18 18 GLN . 34001 1 19 19 PHE . 34001 1 20 20 VAL . 34001 1 21 21 CYS . 34001 1 22 22 GLY . 34001 1 23 23 ASP . 34001 1 24 24 ARG . 34001 1 25 25 GLY . 34001 1 26 26 PHE . 34001 1 27 27 TYR . 34001 1 28 28 PHE . 34001 1 29 29 SER . 34001 1 30 30 ARG . 34001 1 31 31 PRO . 34001 1 32 32 ALA . 34001 1 33 33 SER . 34001 1 34 34 ARG . 34001 1 35 35 VAL . 34001 1 36 36 SER . 34001 1 37 37 ARG . 34001 1 38 38 ARG . 34001 1 39 39 SER . 34001 1 40 40 PRO . 34001 1 41 41 GLN . 34001 1 42 42 ARG . 34001 1 43 43 GLY . 34001 1 44 44 ILE . 34001 1 45 45 VAL . 34001 1 46 46 GLU . 34001 1 47 47 GLU . 34001 1 48 48 CYS . 34001 1 49 49 CYS . 34001 1 50 50 PHE . 34001 1 51 51 ARG . 34001 1 52 52 SER . 34001 1 53 53 CYS . 34001 1 54 54 ASP . 34001 1 55 55 LEU . 34001 1 56 56 ALA . 34001 1 57 57 LEU . 34001 1 58 58 LEU . 34001 1 59 59 GLU . 34001 1 60 60 THR . 34001 1 61 61 TYR . 34001 1 62 62 CYS . 34001 1 63 63 ALA . 34001 1 64 64 THR . 34001 1 65 65 PRO . 34001 1 66 66 ALA . 34001 1 67 67 LYS . 34001 1 68 68 SER . 34001 1 69 69 GLU . 34001 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 . ALA 1 1 34001 1 . TYR 2 2 34001 1 . ARG 3 3 34001 1 . PRO 4 4 34001 1 . SER 5 5 34001 1 . GLU 6 6 34001 1 . THR 7 7 34001 1 . LEU 8 8 34001 1 . CYS 9 9 34001 1 . GLY 10 10 34001 1 . GLY 11 11 34001 1 . GLU 12 12 34001 1 . LEU 13 13 34001 1 . VAL 14 14 34001 1 . ASP 15 15 34001 1 . THR 16 16 34001 1 . LEU 17 17 34001 1 . GLN 18 18 34001 1 . PHE 19 19 34001 1 . VAL 20 20 34001 1 . CYS 21 21 34001 1 . GLY 22 22 34001 1 . ASP 23 23 34001 1 . ARG 24 24 34001 1 . GLY 25 25 34001 1 . PHE 26 26 34001 1 . TYR 27 27 34001 1 . PHE 28 28 34001 1 . SER 29 29 34001 1 . ARG 30 30 34001 1 . PRO 31 31 34001 1 . ALA 32 32 34001 1 . SER 33 33 34001 1 . ARG 34 34 34001 1 . VAL 35 35 34001 1 . SER 36 36 34001 1 . ARG 37 37 34001 1 . ARG 38 38 34001 1 . SER 39 39 34001 1 . PRO 40 40 34001 1 . GLN 41 41 34001 1 . ARG 42 42 34001 1 . GLY 43 43 34001 1 . ILE 44 44 34001 1 . VAL 45 45 34001 1 . GLU 46 46 34001 1 . GLU 47 47 34001 1 . CYS 48 48 34001 1 . CYS 49 49 34001 1 . PHE 50 50 34001 1 . ARG 51 51 34001 1 . SER 52 52 34001 1 . CYS 53 53 34001 1 . ASP 54 54 34001 1 . LEU 55 55 34001 1 . ALA 56 56 34001 1 . LEU 57 57 34001 1 . LEU 58 58 34001 1 . GLU 59 59 34001 1 . THR 60 60 34001 1 . TYR 61 61 34001 1 . CYS 62 62 34001 1 . ALA 63 63 34001 1 . THR 64 64 34001 1 . PRO 65 65 34001 1 . ALA 66 66 34001 1 . LYS 67 67 34001 1 . SER 68 68 34001 1 . GLU 69 69 34001 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 34001 _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 $entity_1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'IGF2, PP1446' . 34001 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 34001 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34001 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34001 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM d4 acetic acid, 90% H2O/10% D2O' _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 'acetic acid' d4 . . . . . . 20 . . mM . . . . 34001 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34001 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34001 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 34001 _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' 0 . mM 34001 1 pH 4.2 . pH 34001 1 pressure 1 . atm 34001 1 temperature 308 . K 34001 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34001 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34001 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34001 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34001 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34001 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34001 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34001 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34001 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34001 3 processing 34001 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34001 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoegenauer, Koraimann, Kungl, Vriend' . . 34001 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34001 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34001 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34001 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34001 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34001 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34001 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 34001 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34001 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34001 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34001 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34001 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34001 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34001 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34001 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34001 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34001 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34001 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34001 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34001 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34001 _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 $chem_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 2 '3D CBCA(CO)NH' . . . 34001 1 3 '3D HNCACB' . . . 34001 1 4 '3D HNCO' . . . 34001 1 5 '3D HN(CA)CO' . . . 34001 1 8 '3D HCCH-TOCSY' . . . 34001 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 34001 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 ALA H H 1 8.594 0.020 . . . . . A 1 ALA H . 34001 1 2 . 1 1 1 1 ALA HA H 1 4.438 0.020 . . . . . A 1 ALA HA . 34001 1 3 . 1 1 1 1 ALA HB1 H 1 1.431 0.020 . . . . . A 1 ALA HB1 . 34001 1 4 . 1 1 1 1 ALA HB2 H 1 1.431 0.020 . . . . . A 1 ALA HB2 . 34001 1 5 . 1 1 1 1 ALA HB3 H 1 1.431 0.020 . . . . . A 1 ALA HB3 . 34001 1 6 . 1 1 1 1 ALA CA C 13 52.435 0.200 . . . . . A 1 ALA CA . 34001 1 7 . 1 1 1 1 ALA CB C 13 19.557 0.200 . . . . . A 1 ALA CB . 34001 1 8 . 1 1 1 1 ALA N N 15 123.652 0.200 . . . . . A 1 ALA N . 34001 1 9 . 1 1 2 2 TYR H H 1 8.377 0.020 . . . . . A 2 TYR H . 34001 1 10 . 1 1 2 2 TYR HA H 1 4.653 0.020 . . . . . A 2 TYR HA . 34001 1 11 . 1 1 2 2 TYR HB2 H 1 3.115 0.020 . . . . . A 2 TYR HB2 . 34001 1 12 . 1 1 2 2 TYR HB3 H 1 3.038 0.020 . . . . . A 2 TYR HB3 . 34001 1 13 . 1 1 2 2 TYR HD1 H 1 7.214 0.020 . . . . . A 2 TYR HD1 . 34001 1 14 . 1 1 2 2 TYR HD2 H 1 7.214 0.020 . . . . . A 2 TYR HD2 . 34001 1 15 . 1 1 2 2 TYR HE1 H 1 6.918 0.020 . . . . . A 2 TYR HE1 . 34001 1 16 . 1 1 2 2 TYR HE2 H 1 6.918 0.020 . . . . . A 2 TYR HE2 . 34001 1 17 . 1 1 2 2 TYR CB C 13 39.046 0.200 . . . . . A 2 TYR CB . 34001 1 18 . 1 1 2 2 TYR CD1 C 13 133.295 0.200 . . . . . A 2 TYR CD1 . 34001 1 19 . 1 1 2 2 TYR CE1 C 13 118.225 0.200 . . . . . A 2 TYR CE1 . 34001 1 20 . 1 1 2 2 TYR N N 15 120.587 0.200 . . . . . A 2 TYR N . 34001 1 21 . 1 1 3 3 ARG H H 1 8.210 0.020 . . . . . A 3 ARG H . 34001 1 22 . 1 1 3 3 ARG HA H 1 4.673 0.020 . . . . . A 3 ARG HA . 34001 1 23 . 1 1 3 3 ARG HB2 H 1 1.878 0.020 . . . . . A 3 ARG HB2 . 34001 1 24 . 1 1 3 3 ARG HB3 H 1 1.739 0.020 . . . . . A 3 ARG HB3 . 34001 1 25 . 1 1 3 3 ARG HG2 H 1 1.675 0.020 . . . . . A 3 ARG HG2 . 34001 1 26 . 1 1 3 3 ARG HG3 H 1 1.675 0.020 . . . . . A 3 ARG HG3 . 34001 1 27 . 1 1 3 3 ARG HD2 H 1 3.284 0.020 . . . . . A 3 ARG HD2 . 34001 1 28 . 1 1 3 3 ARG HD3 H 1 3.284 0.020 . . . . . A 3 ARG HD3 . 34001 1 29 . 1 1 3 3 ARG CB C 13 30.994 0.200 . . . . . A 3 ARG CB . 34001 1 30 . 1 1 3 3 ARG CG C 13 26.867 0.200 . . . . . A 3 ARG CG . 34001 1 31 . 1 1 3 3 ARG CD C 13 43.536 0.200 . . . . . A 3 ARG CD . 34001 1 32 . 1 1 3 3 ARG N N 15 125.719 0.200 . . . . . A 3 ARG N . 34001 1 33 . 1 1 4 4 PRO HA H 1 4.465 0.020 . . . . . A 4 PRO HA . 34001 1 34 . 1 1 4 4 PRO HB2 H 1 2.423 0.020 . . . . . A 4 PRO HB2 . 34001 1 35 . 1 1 4 4 PRO HB3 H 1 2.066 0.020 . . . . . A 4 PRO HB3 . 34001 1 36 . 1 1 4 4 PRO HG2 H 1 2.098 0.020 . . . . . A 4 PRO HG2 . 34001 1 37 . 1 1 4 4 PRO HG3 H 1 2.098 0.020 . . . . . A 4 PRO HG3 . 34001 1 38 . 1 1 4 4 PRO HD2 H 1 3.694 0.020 . . . . . A 4 PRO HD2 . 34001 1 39 . 1 1 4 4 PRO HD3 H 1 3.635 0.020 . . . . . A 4 PRO HD3 . 34001 1 40 . 1 1 4 4 PRO CA C 13 63.283 0.200 . . . . . A 4 PRO CA . 34001 1 41 . 1 1 4 4 PRO CB C 13 32.219 0.200 . . . . . A 4 PRO CB . 34001 1 42 . 1 1 4 4 PRO CG C 13 27.370 0.200 . . . . . A 4 PRO CG . 34001 1 43 . 1 1 4 4 PRO CD C 13 50.736 0.200 . . . . . A 4 PRO CD . 34001 1 44 . 1 1 5 5 SER H H 1 8.311 0.020 . . . . . A 5 SER H . 34001 1 45 . 1 1 5 5 SER HA H 1 4.535 0.020 . . . . . A 5 SER HA . 34001 1 46 . 1 1 5 5 SER HB2 H 1 4.017 0.020 . . . . . A 5 SER HB2 . 34001 1 47 . 1 1 5 5 SER HB3 H 1 4.017 0.020 . . . . . A 5 SER HB3 . 34001 1 48 . 1 1 5 5 SER CB C 13 64.016 0.200 . . . . . A 5 SER CB . 34001 1 49 . 1 1 5 5 SER N N 15 115.274 0.200 . . . . . A 5 SER N . 34001 1 50 . 1 1 6 6 GLU H H 1 8.570 0.020 . . . . . A 6 GLU H . 34001 1 51 . 1 1 6 6 GLU HA H 1 4.571 0.020 . . . . . A 6 GLU HA . 34001 1 52 . 1 1 6 6 GLU HB2 H 1 2.252 0.020 . . . . . A 6 GLU HB2 . 34001 1 53 . 1 1 6 6 GLU HB3 H 1 2.111 0.020 . . . . . A 6 GLU HB3 . 34001 1 54 . 1 1 6 6 GLU HG2 H 1 2.439 0.020 . . . . . A 6 GLU HG2 . 34001 1 55 . 1 1 6 6 GLU HG3 H 1 2.439 0.020 . . . . . A 6 GLU HG3 . 34001 1 56 . 1 1 6 6 GLU CB C 13 29.787 0.200 . . . . . A 6 GLU CB . 34001 1 57 . 1 1 6 6 GLU CG C 13 34.905 0.200 . . . . . A 6 GLU CG . 34001 1 58 . 1 1 6 6 GLU N N 15 122.286 0.200 . . . . . A 6 GLU N . 34001 1 59 . 1 1 7 7 THR H H 1 8.026 0.020 . . . . . A 7 THR H . 34001 1 60 . 1 1 7 7 THR HA H 1 4.634 0.020 . . . . . A 7 THR HA . 34001 1 61 . 1 1 7 7 THR HB H 1 4.631 0.020 . . . . . A 7 THR HB . 34001 1 62 . 1 1 7 7 THR HG21 H 1 1.051 0.020 . . . . . A 7 THR HG21 . 34001 1 63 . 1 1 7 7 THR HG22 H 1 1.051 0.020 . . . . . A 7 THR HG22 . 34001 1 64 . 1 1 7 7 THR HG23 H 1 1.051 0.020 . . . . . A 7 THR HG23 . 34001 1 65 . 1 1 7 7 THR CG2 C 13 22.527 0.200 . . . . . A 7 THR CG2 . 34001 1 66 . 1 1 7 7 THR N N 15 113.866 0.200 . . . . . A 7 THR N . 34001 1 67 . 1 1 8 8 LEU H H 1 8.715 0.020 . . . . . A 8 LEU H . 34001 1 68 . 1 1 8 8 LEU HA H 1 4.721 0.020 . . . . . A 8 LEU HA . 34001 1 69 . 1 1 8 8 LEU HB2 H 1 1.677 0.020 . . . . . A 8 LEU HB2 . 34001 1 70 . 1 1 8 8 LEU HB3 H 1 1.427 0.020 . . . . . A 8 LEU HB3 . 34001 1 71 . 1 1 8 8 LEU HG H 1 1.287 0.020 . . . . . A 8 LEU HG . 34001 1 72 . 1 1 8 8 LEU HD11 H 1 0.957 0.020 . . . . . A 8 LEU HD11 . 34001 1 73 . 1 1 8 8 LEU HD12 H 1 0.957 0.020 . . . . . A 8 LEU HD12 . 34001 1 74 . 1 1 8 8 LEU HD13 H 1 0.957 0.020 . . . . . A 8 LEU HD13 . 34001 1 75 . 1 1 8 8 LEU HD21 H 1 0.925 0.020 . . . . . A 8 LEU HD21 . 34001 1 76 . 1 1 8 8 LEU HD22 H 1 0.925 0.020 . . . . . A 8 LEU HD22 . 34001 1 77 . 1 1 8 8 LEU HD23 H 1 0.925 0.020 . . . . . A 8 LEU HD23 . 34001 1 78 . 1 1 8 8 LEU CB C 13 44.936 0.200 . . . . . A 8 LEU CB . 34001 1 79 . 1 1 8 8 LEU CG C 13 26.826 0.200 . . . . . A 8 LEU CG . 34001 1 80 . 1 1 8 8 LEU CD1 C 13 24.266 0.200 . . . . . A 8 LEU CD1 . 34001 1 81 . 1 1 8 8 LEU CD2 C 13 26.243 0.200 . . . . . A 8 LEU CD2 . 34001 1 82 . 1 1 8 8 LEU N N 15 124.930 0.200 . . . . . A 8 LEU N . 34001 1 83 . 1 1 9 9 CYS H H 1 8.514 0.020 . . . . . A 9 CYS H . 34001 1 84 . 1 1 9 9 CYS HA H 1 5.026 0.020 . . . . . A 9 CYS HA . 34001 1 85 . 1 1 9 9 CYS HB2 H 1 3.299 0.020 . . . . . A 9 CYS HB2 . 34001 1 86 . 1 1 9 9 CYS HB3 H 1 2.957 0.020 . . . . . A 9 CYS HB3 . 34001 1 87 . 1 1 9 9 CYS CB C 13 48.505 0.200 . . . . . A 9 CYS CB . 34001 1 88 . 1 1 9 9 CYS N N 15 119.506 0.200 . . . . . A 9 CYS N . 34001 1 89 . 1 1 10 10 GLY H H 1 9.113 0.020 . . . . . A 10 GLY H . 34001 1 90 . 1 1 10 10 GLY HA2 H 1 4.030 0.020 . . . . . A 10 GLY HA2 . 34001 1 91 . 1 1 10 10 GLY HA3 H 1 3.928 0.020 . . . . . A 10 GLY HA3 . 34001 1 92 . 1 1 10 10 GLY CA C 13 47.108 0.200 . . . . . A 10 GLY CA . 34001 1 93 . 1 1 10 10 GLY N N 15 109.252 0.200 . . . . . A 10 GLY N . 34001 1 94 . 1 1 11 11 GLY H H 1 9.055 0.020 . . . . . A 11 GLY H . 34001 1 95 . 1 1 11 11 GLY HA2 H 1 3.933 0.020 . . . . . A 11 GLY HA2 . 34001 1 96 . 1 1 11 11 GLY HA3 H 1 3.841 0.020 . . . . . A 11 GLY HA3 . 34001 1 97 . 1 1 11 11 GLY CA C 13 47.368 0.200 . . . . . A 11 GLY CA . 34001 1 98 . 1 1 11 11 GLY N N 15 113.624 0.200 . . . . . A 11 GLY N . 34001 1 99 . 1 1 12 12 GLU H H 1 8.870 0.020 . . . . . A 12 GLU H . 34001 1 100 . 1 1 12 12 GLU HA H 1 4.173 0.020 . . . . . A 12 GLU HA . 34001 1 101 . 1 1 12 12 GLU HB2 H 1 2.380 0.020 . . . . . A 12 GLU HB2 . 34001 1 102 . 1 1 12 12 GLU HB3 H 1 2.083 0.020 . . . . . A 12 GLU HB3 . 34001 1 103 . 1 1 12 12 GLU HG2 H 1 2.705 0.020 . . . . . A 12 GLU HG2 . 34001 1 104 . 1 1 12 12 GLU HG3 H 1 2.593 0.020 . . . . . A 12 GLU HG3 . 34001 1 105 . 1 1 12 12 GLU CA C 13 60.207 0.200 . . . . . A 12 GLU CA . 34001 1 106 . 1 1 12 12 GLU CB C 13 29.049 0.200 . . . . . A 12 GLU CB . 34001 1 107 . 1 1 12 12 GLU CG C 13 36.340 0.200 . . . . . A 12 GLU CG . 34001 1 108 . 1 1 12 12 GLU N N 15 121.796 0.200 . . . . . A 12 GLU N . 34001 1 109 . 1 1 13 13 LEU H H 1 7.228 0.020 . . . . . A 13 LEU H . 34001 1 110 . 1 1 13 13 LEU HA H 1 3.911 0.020 . . . . . A 13 LEU HA . 34001 1 111 . 1 1 13 13 LEU HB2 H 1 2.184 0.020 . . . . . A 13 LEU HB2 . 34001 1 112 . 1 1 13 13 LEU HB3 H 1 1.156 0.020 . . . . . A 13 LEU HB3 . 34001 1 113 . 1 1 13 13 LEU HG H 1 1.379 0.020 . . . . . A 13 LEU HG . 34001 1 114 . 1 1 13 13 LEU HD11 H 1 0.948 0.020 . . . . . A 13 LEU HD11 . 34001 1 115 . 1 1 13 13 LEU HD12 H 1 0.948 0.020 . . . . . A 13 LEU HD12 . 34001 1 116 . 1 1 13 13 LEU HD13 H 1 0.948 0.020 . . . . . A 13 LEU HD13 . 34001 1 117 . 1 1 13 13 LEU HD21 H 1 0.760 0.020 . . . . . A 13 LEU HD21 . 34001 1 118 . 1 1 13 13 LEU HD22 H 1 0.760 0.020 . . . . . A 13 LEU HD22 . 34001 1 119 . 1 1 13 13 LEU HD23 H 1 0.760 0.020 . . . . . A 13 LEU HD23 . 34001 1 120 . 1 1 13 13 LEU CA C 13 58.423 0.200 . . . . . A 13 LEU CA . 34001 1 121 . 1 1 13 13 LEU CB C 13 40.267 0.200 . . . . . A 13 LEU CB . 34001 1 122 . 1 1 13 13 LEU CG C 13 27.477 0.200 . . . . . A 13 LEU CG . 34001 1 123 . 1 1 13 13 LEU CD1 C 13 25.749 0.200 . . . . . A 13 LEU CD1 . 34001 1 124 . 1 1 13 13 LEU CD2 C 13 22.672 0.200 . . . . . A 13 LEU CD2 . 34001 1 125 . 1 1 13 13 LEU N N 15 124.051 0.200 . . . . . A 13 LEU N . 34001 1 126 . 1 1 14 14 VAL H H 1 7.563 0.020 . . . . . A 14 VAL H . 34001 1 127 . 1 1 14 14 VAL HA H 1 3.463 0.020 . . . . . A 14 VAL HA . 34001 1 128 . 1 1 14 14 VAL HB H 1 2.266 0.020 . . . . . A 14 VAL HB . 34001 1 129 . 1 1 14 14 VAL HG11 H 1 1.240 0.020 . . . . . A 14 VAL HG11 . 34001 1 130 . 1 1 14 14 VAL HG12 H 1 1.240 0.020 . . . . . A 14 VAL HG12 . 34001 1 131 . 1 1 14 14 VAL HG13 H 1 1.240 0.020 . . . . . A 14 VAL HG13 . 34001 1 132 . 1 1 14 14 VAL HG21 H 1 1.220 0.020 . . . . . A 14 VAL HG21 . 34001 1 133 . 1 1 14 14 VAL HG22 H 1 1.220 0.020 . . . . . A 14 VAL HG22 . 34001 1 134 . 1 1 14 14 VAL HG23 H 1 1.220 0.020 . . . . . A 14 VAL HG23 . 34001 1 135 . 1 1 14 14 VAL CA C 13 67.622 0.200 . . . . . A 14 VAL CA . 34001 1 136 . 1 1 14 14 VAL CB C 13 31.659 0.200 . . . . . A 14 VAL CB . 34001 1 137 . 1 1 14 14 VAL CG1 C 13 23.026 0.200 . . . . . A 14 VAL CG1 . 34001 1 138 . 1 1 14 14 VAL CG2 C 13 21.673 0.200 . . . . . A 14 VAL CG2 . 34001 1 139 . 1 1 14 14 VAL N N 15 118.954 0.200 . . . . . A 14 VAL N . 34001 1 140 . 1 1 15 15 ASP H H 1 8.738 0.020 . . . . . A 15 ASP H . 34001 1 141 . 1 1 15 15 ASP HA H 1 4.670 0.020 . . . . . A 15 ASP HA . 34001 1 142 . 1 1 15 15 ASP HB2 H 1 3.032 0.020 . . . . . A 15 ASP HB2 . 34001 1 143 . 1 1 15 15 ASP HB3 H 1 2.655 0.020 . . . . . A 15 ASP HB3 . 34001 1 144 . 1 1 15 15 ASP CB C 13 42.011 0.200 . . . . . A 15 ASP CB . 34001 1 145 . 1 1 15 15 ASP N N 15 118.266 0.200 . . . . . A 15 ASP N . 34001 1 146 . 1 1 16 16 THR H H 1 7.993 0.020 . . . . . A 16 THR H . 34001 1 147 . 1 1 16 16 THR HA H 1 4.091 0.020 . . . . . A 16 THR HA . 34001 1 148 . 1 1 16 16 THR HB H 1 4.327 0.020 . . . . . A 16 THR HB . 34001 1 149 . 1 1 16 16 THR HG1 H 1 5.170 0.020 . . . . . A 16 THR HG1 . 34001 1 150 . 1 1 16 16 THR HG21 H 1 1.332 0.020 . . . . . A 16 THR HG21 . 34001 1 151 . 1 1 16 16 THR HG22 H 1 1.332 0.020 . . . . . A 16 THR HG22 . 34001 1 152 . 1 1 16 16 THR HG23 H 1 1.332 0.020 . . . . . A 16 THR HG23 . 34001 1 153 . 1 1 16 16 THR CA C 13 68.330 0.200 . . . . . A 16 THR CA . 34001 1 154 . 1 1 16 16 THR CB C 13 68.048 0.200 . . . . . A 16 THR CB . 34001 1 155 . 1 1 16 16 THR CG2 C 13 21.692 0.200 . . . . . A 16 THR CG2 . 34001 1 156 . 1 1 16 16 THR N N 15 116.874 0.200 . . . . . A 16 THR N . 34001 1 157 . 1 1 17 17 LEU H H 1 8.339 0.020 . . . . . A 17 LEU H . 34001 1 158 . 1 1 17 17 LEU HA H 1 3.748 0.020 . . . . . A 17 LEU HA . 34001 1 159 . 1 1 17 17 LEU HB2 H 1 1.166 0.020 . . . . . A 17 LEU HB2 . 34001 1 160 . 1 1 17 17 LEU HB3 H 1 0.258 0.020 . . . . . A 17 LEU HB3 . 34001 1 161 . 1 1 17 17 LEU HG H 1 1.135 0.020 . . . . . A 17 LEU HG . 34001 1 162 . 1 1 17 17 LEU HD11 H 1 0.440 0.020 . . . . . A 17 LEU HD11 . 34001 1 163 . 1 1 17 17 LEU HD12 H 1 0.440 0.020 . . . . . A 17 LEU HD12 . 34001 1 164 . 1 1 17 17 LEU HD13 H 1 0.440 0.020 . . . . . A 17 LEU HD13 . 34001 1 165 . 1 1 17 17 LEU HD21 H 1 0.581 0.020 . . . . . A 17 LEU HD21 . 34001 1 166 . 1 1 17 17 LEU HD22 H 1 0.581 0.020 . . . . . A 17 LEU HD22 . 34001 1 167 . 1 1 17 17 LEU HD23 H 1 0.581 0.020 . . . . . A 17 LEU HD23 . 34001 1 168 . 1 1 17 17 LEU CA C 13 58.774 0.200 . . . . . A 17 LEU CA . 34001 1 169 . 1 1 17 17 LEU CB C 13 41.393 0.200 . . . . . A 17 LEU CB . 34001 1 170 . 1 1 17 17 LEU CG C 13 27.144 0.200 . . . . . A 17 LEU CG . 34001 1 171 . 1 1 17 17 LEU CD1 C 13 25.525 0.200 . . . . . A 17 LEU CD1 . 34001 1 172 . 1 1 17 17 LEU CD2 C 13 23.998 0.200 . . . . . A 17 LEU CD2 . 34001 1 173 . 1 1 17 17 LEU N N 15 124.794 0.200 . . . . . A 17 LEU N . 34001 1 174 . 1 1 18 18 GLN H H 1 8.327 0.020 . . . . . A 18 GLN H . 34001 1 175 . 1 1 18 18 GLN HA H 1 4.327 0.020 . . . . . A 18 GLN HA . 34001 1 176 . 1 1 18 18 GLN HB2 H 1 2.516 0.020 . . . . . A 18 GLN HB2 . 34001 1 177 . 1 1 18 18 GLN HB3 H 1 2.456 0.020 . . . . . A 18 GLN HB3 . 34001 1 178 . 1 1 18 18 GLN HG2 H 1 2.887 0.020 . . . . . A 18 GLN HG2 . 34001 1 179 . 1 1 18 18 GLN HG3 H 1 2.703 0.020 . . . . . A 18 GLN HG3 . 34001 1 180 . 1 1 18 18 GLN HE21 H 1 7.431 0.020 . . . . . A 18 GLN HE21 . 34001 1 181 . 1 1 18 18 GLN HE22 H 1 7.083 0.020 . . . . . A 18 GLN HE22 . 34001 1 182 . 1 1 18 18 GLN CA C 13 59.139 0.200 . . . . . A 18 GLN CA . 34001 1 183 . 1 1 18 18 GLN CB C 13 28.728 0.200 . . . . . A 18 GLN CB . 34001 1 184 . 1 1 18 18 GLN CG C 13 34.938 0.200 . . . . . A 18 GLN CG . 34001 1 185 . 1 1 18 18 GLN N N 15 116.751 0.200 . . . . . A 18 GLN N . 34001 1 186 . 1 1 18 18 GLN NE2 N 15 111.160 0.200 . . . . . A 18 GLN NE2 . 34001 1 187 . 1 1 19 19 PHE H H 1 7.786 0.020 . . . . . A 19 PHE H . 34001 1 188 . 1 1 19 19 PHE HA H 1 3.978 0.020 . . . . . A 19 PHE HA . 34001 1 189 . 1 1 19 19 PHE HB2 H 1 2.715 0.020 . . . . . A 19 PHE HB2 . 34001 1 190 . 1 1 19 19 PHE HB3 H 1 2.399 0.020 . . . . . A 19 PHE HB3 . 34001 1 191 . 1 1 19 19 PHE HD1 H 1 5.721 0.020 . . . . . A 19 PHE HD1 . 34001 1 192 . 1 1 19 19 PHE HD2 H 1 5.721 0.020 . . . . . A 19 PHE HD2 . 34001 1 193 . 1 1 19 19 PHE HE1 H 1 6.519 0.020 . . . . . A 19 PHE HE1 . 34001 1 194 . 1 1 19 19 PHE HE2 H 1 6.519 0.020 . . . . . A 19 PHE HE2 . 34001 1 195 . 1 1 19 19 PHE HZ H 1 6.641 0.020 . . . . . A 19 PHE HZ . 34001 1 196 . 1 1 19 19 PHE CA C 13 59.558 0.200 . . . . . A 19 PHE CA . 34001 1 197 . 1 1 19 19 PHE CB C 13 40.727 0.200 . . . . . A 19 PHE CB . 34001 1 198 . 1 1 19 19 PHE CD1 C 13 131.088 0.200 . . . . . A 19 PHE CD1 . 34001 1 199 . 1 1 19 19 PHE CE1 C 13 129.106 0.200 . . . . . A 19 PHE CE1 . 34001 1 200 . 1 1 19 19 PHE CZ C 13 127.638 0.200 . . . . . A 19 PHE CZ . 34001 1 201 . 1 1 19 19 PHE N N 15 119.918 0.200 . . . . . A 19 PHE N . 34001 1 202 . 1 1 20 20 VAL H H 1 8.668 0.020 . . . . . A 20 VAL H . 34001 1 203 . 1 1 20 20 VAL HA H 1 3.268 0.020 . . . . . A 20 VAL HA . 34001 1 204 . 1 1 20 20 VAL HB H 1 1.983 0.020 . . . . . A 20 VAL HB . 34001 1 205 . 1 1 20 20 VAL HG11 H 1 1.074 0.020 . . . . . A 20 VAL HG11 . 34001 1 206 . 1 1 20 20 VAL HG12 H 1 1.074 0.020 . . . . . A 20 VAL HG12 . 34001 1 207 . 1 1 20 20 VAL HG13 H 1 1.074 0.020 . . . . . A 20 VAL HG13 . 34001 1 208 . 1 1 20 20 VAL HG21 H 1 0.898 0.020 . . . . . A 20 VAL HG21 . 34001 1 209 . 1 1 20 20 VAL HG22 H 1 0.898 0.020 . . . . . A 20 VAL HG22 . 34001 1 210 . 1 1 20 20 VAL HG23 H 1 0.898 0.020 . . . . . A 20 VAL HG23 . 34001 1 211 . 1 1 20 20 VAL CA C 13 65.661 0.200 . . . . . A 20 VAL CA . 34001 1 212 . 1 1 20 20 VAL CB C 13 32.186 0.200 . . . . . A 20 VAL CB . 34001 1 213 . 1 1 20 20 VAL CG1 C 13 24.125 0.200 . . . . . A 20 VAL CG1 . 34001 1 214 . 1 1 20 20 VAL CG2 C 13 21.186 0.200 . . . . . A 20 VAL CG2 . 34001 1 215 . 1 1 20 20 VAL N N 15 117.857 0.200 . . . . . A 20 VAL N . 34001 1 216 . 1 1 21 21 CYS H H 1 8.571 0.020 . . . . . A 21 CYS H . 34001 1 217 . 1 1 21 21 CYS HA H 1 4.884 0.020 . . . . . A 21 CYS HA . 34001 1 218 . 1 1 21 21 CYS HB2 H 1 3.452 0.020 . . . . . A 21 CYS HB2 . 34001 1 219 . 1 1 21 21 CYS HB3 H 1 2.986 0.020 . . . . . A 21 CYS HB3 . 34001 1 220 . 1 1 21 21 CYS CB C 13 36.430 0.200 . . . . . A 21 CYS CB . 34001 1 221 . 1 1 21 21 CYS N N 15 114.628 0.200 . . . . . A 21 CYS N . 34001 1 222 . 1 1 22 22 GLY H H 1 7.952 0.020 . . . . . A 22 GLY H . 34001 1 223 . 1 1 22 22 GLY HA2 H 1 4.252 0.020 . . . . . A 22 GLY HA2 . 34001 1 224 . 1 1 22 22 GLY HA3 H 1 4.024 0.020 . . . . . A 22 GLY HA3 . 34001 1 225 . 1 1 22 22 GLY CA C 13 47.134 0.200 . . . . . A 22 GLY CA . 34001 1 226 . 1 1 22 22 GLY N N 15 110.368 0.200 . . . . . A 22 GLY N . 34001 1 227 . 1 1 23 23 ASP H H 1 9.419 0.020 . . . . . A 23 ASP H . 34001 1 228 . 1 1 23 23 ASP HA H 1 4.815 0.020 . . . . . A 23 ASP HA . 34001 1 229 . 1 1 23 23 ASP HB2 H 1 3.046 0.020 . . . . . A 23 ASP HB2 . 34001 1 230 . 1 1 23 23 ASP HB3 H 1 2.645 0.020 . . . . . A 23 ASP HB3 . 34001 1 231 . 1 1 23 23 ASP CB C 13 41.177 0.200 . . . . . A 23 ASP CB . 34001 1 232 . 1 1 23 23 ASP N N 15 126.488 0.200 . . . . . A 23 ASP N . 34001 1 233 . 1 1 24 24 ARG H H 1 8.329 0.020 . . . . . A 24 ARG H . 34001 1 234 . 1 1 24 24 ARG HA H 1 4.143 0.020 . . . . . A 24 ARG HA . 34001 1 235 . 1 1 24 24 ARG HB2 H 1 2.295 0.020 . . . . . A 24 ARG HB2 . 34001 1 236 . 1 1 24 24 ARG HB3 H 1 2.241 0.020 . . . . . A 24 ARG HB3 . 34001 1 237 . 1 1 24 24 ARG HG2 H 1 2.062 0.020 . . . . . A 24 ARG HG2 . 34001 1 238 . 1 1 24 24 ARG HG3 H 1 1.855 0.020 . . . . . A 24 ARG HG3 . 34001 1 239 . 1 1 24 24 ARG HD2 H 1 3.481 0.020 . . . . . A 24 ARG HD2 . 34001 1 240 . 1 1 24 24 ARG HD3 H 1 3.481 0.020 . . . . . A 24 ARG HD3 . 34001 1 241 . 1 1 24 24 ARG HE H 1 7.030 0.020 . . . . . A 24 ARG HE . 34001 1 242 . 1 1 24 24 ARG CA C 13 58.730 0.200 . . . . . A 24 ARG CA . 34001 1 243 . 1 1 24 24 ARG CB C 13 31.566 0.200 . . . . . A 24 ARG CB . 34001 1 244 . 1 1 24 24 ARG CG C 13 27.270 0.200 . . . . . A 24 ARG CG . 34001 1 245 . 1 1 24 24 ARG CD C 13 44.824 0.200 . . . . . A 24 ARG CD . 34001 1 246 . 1 1 24 24 ARG N N 15 118.382 0.200 . . . . . A 24 ARG N . 34001 1 247 . 1 1 24 24 ARG NE N 15 83.898 0.200 . . . . . A 24 ARG NE . 34001 1 248 . 1 1 25 25 GLY H H 1 7.296 0.020 . . . . . A 25 GLY H . 34001 1 249 . 1 1 25 25 GLY HA2 H 1 4.194 0.020 . . . . . A 25 GLY HA2 . 34001 1 250 . 1 1 25 25 GLY HA3 H 1 3.847 0.020 . . . . . A 25 GLY HA3 . 34001 1 251 . 1 1 25 25 GLY CA C 13 44.231 0.200 . . . . . A 25 GLY CA . 34001 1 252 . 1 1 25 25 GLY N N 15 102.256 0.200 . . . . . A 25 GLY N . 34001 1 253 . 1 1 26 26 PHE H H 1 7.621 0.020 . . . . . A 26 PHE H . 34001 1 254 . 1 1 26 26 PHE HA H 1 5.359 0.020 . . . . . A 26 PHE HA . 34001 1 255 . 1 1 26 26 PHE HB2 H 1 3.447 0.020 . . . . . A 26 PHE HB2 . 34001 1 256 . 1 1 26 26 PHE HB3 H 1 2.952 0.020 . . . . . A 26 PHE HB3 . 34001 1 257 . 1 1 26 26 PHE HD1 H 1 6.748 0.020 . . . . . A 26 PHE HD1 . 34001 1 258 . 1 1 26 26 PHE HD2 H 1 6.748 0.020 . . . . . A 26 PHE HD2 . 34001 1 259 . 1 1 26 26 PHE HE1 H 1 7.106 0.020 . . . . . A 26 PHE HE1 . 34001 1 260 . 1 1 26 26 PHE HE2 H 1 7.106 0.020 . . . . . A 26 PHE HE2 . 34001 1 261 . 1 1 26 26 PHE HZ H 1 7.344 0.020 . . . . . A 26 PHE HZ . 34001 1 262 . 1 1 26 26 PHE CA C 13 56.019 0.200 . . . . . A 26 PHE CA . 34001 1 263 . 1 1 26 26 PHE CB C 13 42.424 0.200 . . . . . A 26 PHE CB . 34001 1 264 . 1 1 26 26 PHE CD1 C 13 132.833 0.200 . . . . . A 26 PHE CD1 . 34001 1 265 . 1 1 26 26 PHE CE1 C 13 131.143 0.200 . . . . . A 26 PHE CE1 . 34001 1 266 . 1 1 26 26 PHE CZ C 13 129.669 0.200 . . . . . A 26 PHE CZ . 34001 1 267 . 1 1 26 26 PHE N N 15 112.620 0.200 . . . . . A 26 PHE N . 34001 1 268 . 1 1 27 27 TYR H H 1 8.798 0.020 . . . . . A 27 TYR H . 34001 1 269 . 1 1 27 27 TYR HA H 1 5.052 0.020 . . . . . A 27 TYR HA . 34001 1 270 . 1 1 27 27 TYR HB2 H 1 3.552 0.020 . . . . . A 27 TYR HB2 . 34001 1 271 . 1 1 27 27 TYR HB3 H 1 3.138 0.020 . . . . . A 27 TYR HB3 . 34001 1 272 . 1 1 27 27 TYR HD1 H 1 7.236 0.020 . . . . . A 27 TYR HD1 . 34001 1 273 . 1 1 27 27 TYR HD2 H 1 7.236 0.020 . . . . . A 27 TYR HD2 . 34001 1 274 . 1 1 27 27 TYR HE1 H 1 6.907 0.020 . . . . . A 27 TYR HE1 . 34001 1 275 . 1 1 27 27 TYR HE2 H 1 6.907 0.020 . . . . . A 27 TYR HE2 . 34001 1 276 . 1 1 27 27 TYR CA C 13 55.779 0.200 . . . . . A 27 TYR CA . 34001 1 277 . 1 1 27 27 TYR CB C 13 41.598 0.200 . . . . . A 27 TYR CB . 34001 1 278 . 1 1 27 27 TYR CD1 C 13 133.371 0.200 . . . . . A 27 TYR CD1 . 34001 1 279 . 1 1 27 27 TYR CE1 C 13 118.189 0.200 . . . . . A 27 TYR CE1 . 34001 1 280 . 1 1 27 27 TYR N N 15 118.747 0.200 . . . . . A 27 TYR N . 34001 1 281 . 1 1 28 28 PHE H H 1 8.903 0.020 . . . . . A 28 PHE H . 34001 1 282 . 1 1 28 28 PHE HA H 1 4.937 0.020 . . . . . A 28 PHE HA . 34001 1 283 . 1 1 28 28 PHE HB2 H 1 3.437 0.020 . . . . . A 28 PHE HB2 . 34001 1 284 . 1 1 28 28 PHE HB3 H 1 3.224 0.020 . . . . . A 28 PHE HB3 . 34001 1 285 . 1 1 28 28 PHE HD1 H 1 7.403 0.020 . . . . . A 28 PHE HD1 . 34001 1 286 . 1 1 28 28 PHE HD2 H 1 7.403 0.020 . . . . . A 28 PHE HD2 . 34001 1 287 . 1 1 28 28 PHE HE1 H 1 7.372 0.020 . . . . . A 28 PHE HE1 . 34001 1 288 . 1 1 28 28 PHE HE2 H 1 7.372 0.020 . . . . . A 28 PHE HE2 . 34001 1 289 . 1 1 28 28 PHE HZ H 1 7.413 0.020 . . . . . A 28 PHE HZ . 34001 1 290 . 1 1 28 28 PHE CB C 13 40.492 0.200 . . . . . A 28 PHE CB . 34001 1 291 . 1 1 28 28 PHE CD1 C 13 131.431 0.200 . . . . . A 28 PHE CD1 . 34001 1 292 . 1 1 28 28 PHE CE1 C 13 131.490 0.200 . . . . . A 28 PHE CE1 . 34001 1 293 . 1 1 28 28 PHE CZ C 13 129.731 0.200 . . . . . A 28 PHE CZ . 34001 1 294 . 1 1 28 28 PHE N N 15 115.942 0.200 . . . . . A 28 PHE N . 34001 1 295 . 1 1 29 29 SER H H 1 8.123 0.020 . . . . . A 29 SER H . 34001 1 296 . 1 1 29 29 SER HA H 1 5.079 0.020 . . . . . A 29 SER HA . 34001 1 297 . 1 1 29 29 SER HB2 H 1 4.060 0.020 . . . . . A 29 SER HB2 . 34001 1 298 . 1 1 29 29 SER HB3 H 1 4.004 0.020 . . . . . A 29 SER HB3 . 34001 1 299 . 1 1 29 29 SER CB C 13 64.981 0.200 . . . . . A 29 SER CB . 34001 1 300 . 1 1 29 29 SER N N 15 113.458 0.200 . . . . . A 29 SER N . 34001 1 301 . 1 1 30 30 ARG H H 1 8.723 0.020 . . . . . A 30 ARG H . 34001 1 302 . 1 1 30 30 ARG HA H 1 4.544 0.020 . . . . . A 30 ARG HA . 34001 1 303 . 1 1 30 30 ARG HB2 H 1 1.824 0.020 . . . . . A 30 ARG HB2 . 34001 1 304 . 1 1 30 30 ARG HB3 H 1 1.690 0.020 . . . . . A 30 ARG HB3 . 34001 1 305 . 1 1 30 30 ARG HG2 H 1 1.527 0.020 . . . . . A 30 ARG HG2 . 34001 1 306 . 1 1 30 30 ARG HG3 H 1 1.527 0.020 . . . . . A 30 ARG HG3 . 34001 1 307 . 1 1 30 30 ARG HD2 H 1 3.007 0.020 . . . . . A 30 ARG HD2 . 34001 1 308 . 1 1 30 30 ARG HD3 H 1 3.007 0.020 . . . . . A 30 ARG HD3 . 34001 1 309 . 1 1 30 30 ARG HE H 1 6.925 0.020 . . . . . A 30 ARG HE . 34001 1 310 . 1 1 30 30 ARG CB C 13 30.274 0.200 . . . . . A 30 ARG CB . 34001 1 311 . 1 1 30 30 ARG CG C 13 26.796 0.200 . . . . . A 30 ARG CG . 34001 1 312 . 1 1 30 30 ARG CD C 13 43.525 0.200 . . . . . A 30 ARG CD . 34001 1 313 . 1 1 30 30 ARG N N 15 122.421 0.200 . . . . . A 30 ARG N . 34001 1 314 . 1 1 30 30 ARG NE N 15 84.485 0.200 . . . . . A 30 ARG NE . 34001 1 315 . 1 1 31 31 PRO HA H 1 4.316 0.020 . . . . . A 31 PRO HA . 34001 1 316 . 1 1 31 31 PRO HB2 H 1 2.170 0.020 . . . . . A 31 PRO HB2 . 34001 1 317 . 1 1 31 31 PRO HB3 H 1 1.891 0.020 . . . . . A 31 PRO HB3 . 34001 1 318 . 1 1 31 31 PRO HG2 H 1 1.993 0.020 . . . . . A 31 PRO HG2 . 34001 1 319 . 1 1 31 31 PRO HG3 H 1 1.868 0.020 . . . . . A 31 PRO HG3 . 34001 1 320 . 1 1 31 31 PRO HD2 H 1 3.566 0.020 . . . . . A 31 PRO HD2 . 34001 1 321 . 1 1 31 31 PRO HD3 H 1 3.487 0.020 . . . . . A 31 PRO HD3 . 34001 1 322 . 1 1 31 31 PRO CA C 13 62.985 0.200 . . . . . A 31 PRO CA . 34001 1 323 . 1 1 31 31 PRO CB C 13 31.964 0.200 . . . . . A 31 PRO CB . 34001 1 324 . 1 1 31 31 PRO CG C 13 27.454 0.200 . . . . . A 31 PRO CG . 34001 1 325 . 1 1 31 31 PRO CD C 13 50.434 0.200 . . . . . A 31 PRO CD . 34001 1 326 . 1 1 32 32 ALA H H 1 8.493 0.020 . . . . . A 32 ALA H . 34001 1 327 . 1 1 32 32 ALA HA H 1 4.283 0.020 . . . . . A 32 ALA HA . 34001 1 328 . 1 1 32 32 ALA HB1 H 1 1.491 0.020 . . . . . A 32 ALA HB1 . 34001 1 329 . 1 1 32 32 ALA HB2 H 1 1.491 0.020 . . . . . A 32 ALA HB2 . 34001 1 330 . 1 1 32 32 ALA HB3 H 1 1.491 0.020 . . . . . A 32 ALA HB3 . 34001 1 331 . 1 1 32 32 ALA CA C 13 53.091 0.200 . . . . . A 32 ALA CA . 34001 1 332 . 1 1 32 32 ALA CB C 13 19.482 0.200 . . . . . A 32 ALA CB . 34001 1 333 . 1 1 32 32 ALA N N 15 124.164 0.200 . . . . . A 32 ALA N . 34001 1 334 . 1 1 33 33 SER H H 1 8.226 0.020 . . . . . A 33 SER H . 34001 1 335 . 1 1 33 33 SER HA H 1 4.553 0.020 . . . . . A 33 SER HA . 34001 1 336 . 1 1 33 33 SER HB2 H 1 4.020 0.020 . . . . . A 33 SER HB2 . 34001 1 337 . 1 1 33 33 SER HB3 H 1 3.931 0.020 . . . . . A 33 SER HB3 . 34001 1 338 . 1 1 33 33 SER CB C 13 64.092 0.200 . . . . . A 33 SER CB . 34001 1 339 . 1 1 33 33 SER N N 15 113.592 0.200 . . . . . A 33 SER N . 34001 1 340 . 1 1 34 34 ARG H H 1 8.488 0.020 . . . . . A 34 ARG H . 34001 1 341 . 1 1 34 34 ARG HA H 1 4.434 0.020 . . . . . A 34 ARG HA . 34001 1 342 . 1 1 34 34 ARG HB2 H 1 2.014 0.020 . . . . . A 34 ARG HB2 . 34001 1 343 . 1 1 34 34 ARG HB3 H 1 1.861 0.020 . . . . . A 34 ARG HB3 . 34001 1 344 . 1 1 34 34 ARG HG2 H 1 1.724 0.020 . . . . . A 34 ARG HG2 . 34001 1 345 . 1 1 34 34 ARG HG3 H 1 1.724 0.020 . . . . . A 34 ARG HG3 . 34001 1 346 . 1 1 34 34 ARG HD2 H 1 3.292 0.020 . . . . . A 34 ARG HD2 . 34001 1 347 . 1 1 34 34 ARG HD3 H 1 3.292 0.020 . . . . . A 34 ARG HD3 . 34001 1 348 . 1 1 34 34 ARG CB C 13 30.564 0.200 . . . . . A 34 ARG CB . 34001 1 349 . 1 1 34 34 ARG CG C 13 27.311 0.200 . . . . . A 34 ARG CG . 34001 1 350 . 1 1 34 34 ARG CD C 13 43.451 0.200 . . . . . A 34 ARG CD . 34001 1 351 . 1 1 34 34 ARG N N 15 122.274 0.200 . . . . . A 34 ARG N . 34001 1 352 . 1 1 35 35 VAL H H 1 7.947 0.020 . . . . . A 35 VAL H . 34001 1 353 . 1 1 35 35 VAL HA H 1 4.257 0.020 . . . . . A 35 VAL HA . 34001 1 354 . 1 1 35 35 VAL HB H 1 2.209 0.020 . . . . . A 35 VAL HB . 34001 1 355 . 1 1 35 35 VAL HG11 H 1 1.017 0.020 . . . . . A 35 VAL HG11 . 34001 1 356 . 1 1 35 35 VAL HG12 H 1 1.017 0.020 . . . . . A 35 VAL HG12 . 34001 1 357 . 1 1 35 35 VAL HG13 H 1 1.017 0.020 . . . . . A 35 VAL HG13 . 34001 1 358 . 1 1 35 35 VAL HG21 H 1 1.004 0.020 . . . . . A 35 VAL HG21 . 34001 1 359 . 1 1 35 35 VAL HG22 H 1 1.004 0.020 . . . . . A 35 VAL HG22 . 34001 1 360 . 1 1 35 35 VAL HG23 H 1 1.004 0.020 . . . . . A 35 VAL HG23 . 34001 1 361 . 1 1 35 35 VAL CA C 13 62.509 0.200 . . . . . A 35 VAL CA . 34001 1 362 . 1 1 35 35 VAL CB C 13 32.744 0.200 . . . . . A 35 VAL CB . 34001 1 363 . 1 1 35 35 VAL CG1 C 13 21.266 0.200 . . . . . A 35 VAL CG1 . 34001 1 364 . 1 1 35 35 VAL CG2 C 13 20.558 0.200 . . . . . A 35 VAL CG2 . 34001 1 365 . 1 1 35 35 VAL N N 15 118.055 0.200 . . . . . A 35 VAL N . 34001 1 366 . 1 1 36 36 SER H H 1 8.163 0.020 . . . . . A 36 SER H . 34001 1 367 . 1 1 36 36 SER HA H 1 4.574 0.020 . . . . . A 36 SER HA . 34001 1 368 . 1 1 36 36 SER HB2 H 1 4.003 0.020 . . . . . A 36 SER HB2 . 34001 1 369 . 1 1 36 36 SER HB3 H 1 3.938 0.020 . . . . . A 36 SER HB3 . 34001 1 370 . 1 1 36 36 SER CB C 13 64.072 0.200 . . . . . A 36 SER CB . 34001 1 371 . 1 1 36 36 SER N N 15 117.906 0.200 . . . . . A 36 SER N . 34001 1 372 . 1 1 37 37 ARG H H 1 8.455 0.020 . . . . . A 37 ARG H . 34001 1 373 . 1 1 37 37 ARG HA H 1 4.399 0.020 . . . . . A 37 ARG HA . 34001 1 374 . 1 1 37 37 ARG HB2 H 1 2.009 0.020 . . . . . A 37 ARG HB2 . 34001 1 375 . 1 1 37 37 ARG HB3 H 1 1.897 0.020 . . . . . A 37 ARG HB3 . 34001 1 376 . 1 1 37 37 ARG HG2 H 1 1.752 0.020 . . . . . A 37 ARG HG2 . 34001 1 377 . 1 1 37 37 ARG HG3 H 1 1.752 0.020 . . . . . A 37 ARG HG3 . 34001 1 378 . 1 1 37 37 ARG CB C 13 30.516 0.200 . . . . . A 37 ARG CB . 34001 1 379 . 1 1 37 37 ARG CG C 13 27.330 0.200 . . . . . A 37 ARG CG . 34001 1 380 . 1 1 37 37 ARG N N 15 122.440 0.200 . . . . . A 37 ARG N . 34001 1 381 . 1 1 38 38 ARG H H 1 8.305 0.020 . . . . . A 38 ARG H . 34001 1 382 . 1 1 38 38 ARG HA H 1 4.413 0.020 . . . . . A 38 ARG HA . 34001 1 383 . 1 1 38 38 ARG HB2 H 1 2.006 0.020 . . . . . A 38 ARG HB2 . 34001 1 384 . 1 1 38 38 ARG HB3 H 1 1.846 0.020 . . . . . A 38 ARG HB3 . 34001 1 385 . 1 1 38 38 ARG HG2 H 1 1.723 0.020 . . . . . A 38 ARG HG2 . 34001 1 386 . 1 1 38 38 ARG HG3 H 1 1.723 0.020 . . . . . A 38 ARG HG3 . 34001 1 387 . 1 1 38 38 ARG HD2 H 1 3.294 0.020 . . . . . A 38 ARG HD2 . 34001 1 388 . 1 1 38 38 ARG HD3 H 1 3.294 0.020 . . . . . A 38 ARG HD3 . 34001 1 389 . 1 1 38 38 ARG CA C 13 56.996 0.200 . . . . . A 38 ARG CA . 34001 1 390 . 1 1 38 38 ARG CB C 13 30.651 0.200 . . . . . A 38 ARG CB . 34001 1 391 . 1 1 38 38 ARG CG C 13 27.289 0.200 . . . . . A 38 ARG CG . 34001 1 392 . 1 1 38 38 ARG N N 15 119.518 0.200 . . . . . A 38 ARG N . 34001 1 393 . 1 1 39 39 SER H H 1 8.008 0.020 . . . . . A 39 SER H . 34001 1 394 . 1 1 39 39 SER HA H 1 4.864 0.020 . . . . . A 39 SER HA . 34001 1 395 . 1 1 39 39 SER HB2 H 1 3.961 0.020 . . . . . A 39 SER HB2 . 34001 1 396 . 1 1 39 39 SER HB3 H 1 3.928 0.020 . . . . . A 39 SER HB3 . 34001 1 397 . 1 1 39 39 SER CB C 13 63.666 0.200 . . . . . A 39 SER CB . 34001 1 398 . 1 1 39 39 SER N N 15 116.936 0.200 . . . . . A 39 SER N . 34001 1 399 . 1 1 40 40 PRO HA H 1 4.559 0.020 . . . . . A 40 PRO HA . 34001 1 400 . 1 1 40 40 PRO HB2 H 1 2.410 0.020 . . . . . A 40 PRO HB2 . 34001 1 401 . 1 1 40 40 PRO HB3 H 1 2.018 0.020 . . . . . A 40 PRO HB3 . 34001 1 402 . 1 1 40 40 PRO HG2 H 1 2.092 0.020 . . . . . A 40 PRO HG2 . 34001 1 403 . 1 1 40 40 PRO HG3 H 1 2.092 0.020 . . . . . A 40 PRO HG3 . 34001 1 404 . 1 1 40 40 PRO HD2 H 1 3.897 0.020 . . . . . A 40 PRO HD2 . 34001 1 405 . 1 1 40 40 PRO HD3 H 1 3.795 0.020 . . . . . A 40 PRO HD3 . 34001 1 406 . 1 1 40 40 PRO CA C 13 63.070 0.200 . . . . . A 40 PRO CA . 34001 1 407 . 1 1 40 40 PRO CB C 13 32.271 0.200 . . . . . A 40 PRO CB . 34001 1 408 . 1 1 40 40 PRO CG C 13 27.458 0.200 . . . . . A 40 PRO CG . 34001 1 409 . 1 1 40 40 PRO CD C 13 50.869 0.200 . . . . . A 40 PRO CD . 34001 1 410 . 1 1 41 41 GLN H H 1 8.580 0.020 . . . . . A 41 GLN H . 34001 1 411 . 1 1 41 41 GLN HA H 1 4.462 0.020 . . . . . A 41 GLN HA . 34001 1 412 . 1 1 41 41 GLN HB2 H 1 2.192 0.020 . . . . . A 41 GLN HB2 . 34001 1 413 . 1 1 41 41 GLN HB3 H 1 2.071 0.020 . . . . . A 41 GLN HB3 . 34001 1 414 . 1 1 41 41 GLN HG2 H 1 2.469 0.020 . . . . . A 41 GLN HG2 . 34001 1 415 . 1 1 41 41 GLN HG3 H 1 2.469 0.020 . . . . . A 41 GLN HG3 . 34001 1 416 . 1 1 41 41 GLN HE21 H 1 7.423 0.020 . . . . . A 41 GLN HE21 . 34001 1 417 . 1 1 41 41 GLN HE22 H 1 6.875 0.020 . . . . . A 41 GLN HE22 . 34001 1 418 . 1 1 41 41 GLN CA C 13 56.105 0.200 . . . . . A 41 GLN CA . 34001 1 419 . 1 1 41 41 GLN CB C 13 30.026 0.200 . . . . . A 41 GLN CB . 34001 1 420 . 1 1 41 41 GLN CG C 13 34.225 0.200 . . . . . A 41 GLN CG . 34001 1 421 . 1 1 41 41 GLN N N 15 121.227 0.200 . . . . . A 41 GLN N . 34001 1 422 . 1 1 41 41 GLN NE2 N 15 112.086 0.200 . . . . . A 41 GLN NE2 . 34001 1 423 . 1 1 42 42 ARG H H 1 8.748 0.020 . . . . . A 42 ARG H . 34001 1 424 . 1 1 42 42 ARG HA H 1 4.661 0.020 . . . . . A 42 ARG HA . 34001 1 425 . 1 1 42 42 ARG HB2 H 1 2.029 0.020 . . . . . A 42 ARG HB2 . 34001 1 426 . 1 1 42 42 ARG HB3 H 1 1.902 0.020 . . . . . A 42 ARG HB3 . 34001 1 427 . 1 1 42 42 ARG HG2 H 1 1.767 0.020 . . . . . A 42 ARG HG2 . 34001 1 428 . 1 1 42 42 ARG HG3 H 1 1.767 0.020 . . . . . A 42 ARG HG3 . 34001 1 429 . 1 1 42 42 ARG HD2 H 1 3.251 0.020 . . . . . A 42 ARG HD2 . 34001 1 430 . 1 1 42 42 ARG HD3 H 1 3.251 0.020 . . . . . A 42 ARG HD3 . 34001 1 431 . 1 1 42 42 ARG HE H 1 7.535 0.020 . . . . . A 42 ARG HE . 34001 1 432 . 1 1 42 42 ARG CB C 13 32.028 0.200 . . . . . A 42 ARG CB . 34001 1 433 . 1 1 42 42 ARG CG C 13 27.432 0.200 . . . . . A 42 ARG CG . 34001 1 434 . 1 1 42 42 ARG CD C 13 43.553 0.200 . . . . . A 42 ARG CD . 34001 1 435 . 1 1 42 42 ARG N N 15 122.529 0.200 . . . . . A 42 ARG N . 34001 1 436 . 1 1 42 42 ARG NE N 15 84.880 0.200 . . . . . A 42 ARG NE . 34001 1 437 . 1 1 43 43 GLY H H 1 8.685 0.020 . . . . . A 43 GLY H . 34001 1 438 . 1 1 43 43 GLY HA2 H 1 4.666 0.020 . . . . . A 43 GLY HA2 . 34001 1 439 . 1 1 43 43 GLY HA3 H 1 4.315 0.020 . . . . . A 43 GLY HA3 . 34001 1 440 . 1 1 43 43 GLY CA C 13 45.479 0.200 . . . . . A 43 GLY CA . 34001 1 441 . 1 1 43 43 GLY N N 15 111.293 0.200 . . . . . A 43 GLY N . 34001 1 442 . 1 1 44 44 ILE H H 1 8.020 0.020 . . . . . A 44 ILE H . 34001 1 443 . 1 1 44 44 ILE HA H 1 3.663 0.020 . . . . . A 44 ILE HA . 34001 1 444 . 1 1 44 44 ILE HB H 1 0.651 0.020 . . . . . A 44 ILE HB . 34001 1 445 . 1 1 44 44 ILE HG12 H 1 0.882 0.020 . . . . . A 44 ILE HG12 . 34001 1 446 . 1 1 44 44 ILE HG13 H 1 1.035 0.020 . . . . . A 44 ILE HG13 . 34001 1 447 . 1 1 44 44 ILE HG21 H 1 0.813 0.020 . . . . . A 44 ILE HG21 . 34001 1 448 . 1 1 44 44 ILE HG22 H 1 0.813 0.020 . . . . . A 44 ILE HG22 . 34001 1 449 . 1 1 44 44 ILE HG23 H 1 0.813 0.020 . . . . . A 44 ILE HG23 . 34001 1 450 . 1 1 44 44 ILE HD11 H 1 0.516 0.020 . . . . . A 44 ILE HD11 . 34001 1 451 . 1 1 44 44 ILE HD12 H 1 0.516 0.020 . . . . . A 44 ILE HD12 . 34001 1 452 . 1 1 44 44 ILE HD13 H 1 0.516 0.020 . . . . . A 44 ILE HD13 . 34001 1 453 . 1 1 44 44 ILE CA C 13 63.096 0.200 . . . . . A 44 ILE CA . 34001 1 454 . 1 1 44 44 ILE CB C 13 37.201 0.200 . . . . . A 44 ILE CB . 34001 1 455 . 1 1 44 44 ILE CG1 C 13 29.722 0.200 . . . . . A 44 ILE CG1 . 34001 1 456 . 1 1 44 44 ILE CG2 C 13 18.281 0.200 . . . . . A 44 ILE CG2 . 34001 1 457 . 1 1 44 44 ILE CD1 C 13 15.486 0.200 . . . . . A 44 ILE CD1 . 34001 1 458 . 1 1 44 44 ILE N N 15 121.139 0.200 . . . . . A 44 ILE N . 34001 1 459 . 1 1 45 45 VAL H H 1 8.298 0.020 . . . . . A 45 VAL H . 34001 1 460 . 1 1 45 45 VAL HA H 1 3.474 0.020 . . . . . A 45 VAL HA . 34001 1 461 . 1 1 45 45 VAL HB H 1 1.952 0.020 . . . . . A 45 VAL HB . 34001 1 462 . 1 1 45 45 VAL HG11 H 1 1.030 0.020 . . . . . A 45 VAL HG11 . 34001 1 463 . 1 1 45 45 VAL HG12 H 1 1.030 0.020 . . . . . A 45 VAL HG12 . 34001 1 464 . 1 1 45 45 VAL HG13 H 1 1.030 0.020 . . . . . A 45 VAL HG13 . 34001 1 465 . 1 1 45 45 VAL HG21 H 1 0.655 0.020 . . . . . A 45 VAL HG21 . 34001 1 466 . 1 1 45 45 VAL HG22 H 1 0.655 0.020 . . . . . A 45 VAL HG22 . 34001 1 467 . 1 1 45 45 VAL HG23 H 1 0.655 0.020 . . . . . A 45 VAL HG23 . 34001 1 468 . 1 1 45 45 VAL CA C 13 66.689 0.200 . . . . . A 45 VAL CA . 34001 1 469 . 1 1 45 45 VAL CB C 13 31.298 0.200 . . . . . A 45 VAL CB . 34001 1 470 . 1 1 45 45 VAL CG1 C 13 23.026 0.200 . . . . . A 45 VAL CG1 . 34001 1 471 . 1 1 45 45 VAL CG2 C 13 21.504 0.200 . . . . . A 45 VAL CG2 . 34001 1 472 . 1 1 45 45 VAL N N 15 123.855 0.200 . . . . . A 45 VAL N . 34001 1 473 . 1 1 46 46 GLU H H 1 8.140 0.020 . . . . . A 46 GLU H . 34001 1 474 . 1 1 46 46 GLU HA H 1 3.973 0.020 . . . . . A 46 GLU HA . 34001 1 475 . 1 1 46 46 GLU HB2 H 1 2.355 0.020 . . . . . A 46 GLU HB2 . 34001 1 476 . 1 1 46 46 GLU HB3 H 1 2.133 0.020 . . . . . A 46 GLU HB3 . 34001 1 477 . 1 1 46 46 GLU HG2 H 1 2.542 0.020 . . . . . A 46 GLU HG2 . 34001 1 478 . 1 1 46 46 GLU HG3 H 1 2.403 0.020 . . . . . A 46 GLU HG3 . 34001 1 479 . 1 1 46 46 GLU CA C 13 60.330 0.200 . . . . . A 46 GLU CA . 34001 1 480 . 1 1 46 46 GLU CB C 13 29.310 0.200 . . . . . A 46 GLU CB . 34001 1 481 . 1 1 46 46 GLU CG C 13 37.167 0.200 . . . . . A 46 GLU CG . 34001 1 482 . 1 1 46 46 GLU N N 15 121.258 0.200 . . . . . A 46 GLU N . 34001 1 483 . 1 1 47 47 GLU H H 1 7.588 0.020 . . . . . A 47 GLU H . 34001 1 484 . 1 1 47 47 GLU HA H 1 4.372 0.020 . . . . . A 47 GLU HA . 34001 1 485 . 1 1 47 47 GLU HB2 H 1 2.181 0.020 . . . . . A 47 GLU HB2 . 34001 1 486 . 1 1 47 47 GLU HB3 H 1 1.980 0.020 . . . . . A 47 GLU HB3 . 34001 1 487 . 1 1 47 47 GLU HG2 H 1 2.578 0.020 . . . . . A 47 GLU HG2 . 34001 1 488 . 1 1 47 47 GLU HG3 H 1 2.344 0.020 . . . . . A 47 GLU HG3 . 34001 1 489 . 1 1 47 47 GLU CA C 13 58.478 0.200 . . . . . A 47 GLU CA . 34001 1 490 . 1 1 47 47 GLU CB C 13 31.394 0.200 . . . . . A 47 GLU CB . 34001 1 491 . 1 1 47 47 GLU CG C 13 36.176 0.200 . . . . . A 47 GLU CG . 34001 1 492 . 1 1 47 47 GLU N N 15 113.473 0.200 . . . . . A 47 GLU N . 34001 1 493 . 1 1 48 48 CYS H H 1 8.198 0.020 . . . . . A 48 CYS H . 34001 1 494 . 1 1 48 48 CYS HA H 1 5.144 0.020 . . . . . A 48 CYS HA . 34001 1 495 . 1 1 48 48 CYS HB2 H 1 3.245 0.020 . . . . . A 48 CYS HB2 . 34001 1 496 . 1 1 48 48 CYS HB3 H 1 2.921 0.020 . . . . . A 48 CYS HB3 . 34001 1 497 . 1 1 48 48 CYS CB C 13 45.084 0.200 . . . . . A 48 CYS CB . 34001 1 498 . 1 1 48 48 CYS N N 15 109.814 0.200 . . . . . A 48 CYS N . 34001 1 499 . 1 1 49 49 CYS H H 1 8.246 0.020 . . . . . A 49 CYS H . 34001 1 500 . 1 1 49 49 CYS HA H 1 4.818 0.020 . . . . . A 49 CYS HA . 34001 1 501 . 1 1 49 49 CYS HB2 H 1 3.751 0.020 . . . . . A 49 CYS HB2 . 34001 1 502 . 1 1 49 49 CYS HB3 H 1 3.207 0.020 . . . . . A 49 CYS HB3 . 34001 1 503 . 1 1 49 49 CYS CB C 13 39.309 0.200 . . . . . A 49 CYS CB . 34001 1 504 . 1 1 49 49 CYS N N 15 117.223 0.200 . . . . . A 49 CYS N . 34001 1 505 . 1 1 50 50 PHE H H 1 7.902 0.020 . . . . . A 50 PHE H . 34001 1 506 . 1 1 50 50 PHE HA H 1 4.787 0.020 . . . . . A 50 PHE HA . 34001 1 507 . 1 1 50 50 PHE HB2 H 1 3.577 0.020 . . . . . A 50 PHE HB2 . 34001 1 508 . 1 1 50 50 PHE HB3 H 1 3.352 0.020 . . . . . A 50 PHE HB3 . 34001 1 509 . 1 1 50 50 PHE HD1 H 1 7.298 0.020 . . . . . A 50 PHE HD1 . 34001 1 510 . 1 1 50 50 PHE HD2 H 1 7.298 0.020 . . . . . A 50 PHE HD2 . 34001 1 511 . 1 1 50 50 PHE HE1 H 1 7.431 0.020 . . . . . A 50 PHE HE1 . 34001 1 512 . 1 1 50 50 PHE HE2 H 1 7.431 0.020 . . . . . A 50 PHE HE2 . 34001 1 513 . 1 1 50 50 PHE HZ H 1 7.361 0.020 . . . . . A 50 PHE HZ . 34001 1 514 . 1 1 50 50 PHE CB C 13 37.961 0.200 . . . . . A 50 PHE CB . 34001 1 515 . 1 1 50 50 PHE CD1 C 13 130.646 0.200 . . . . . A 50 PHE CD1 . 34001 1 516 . 1 1 50 50 PHE CE1 C 13 131.742 0.200 . . . . . A 50 PHE CE1 . 34001 1 517 . 1 1 50 50 PHE CZ C 13 129.876 0.200 . . . . . A 50 PHE CZ . 34001 1 518 . 1 1 50 50 PHE N N 15 116.875 0.200 . . . . . A 50 PHE N . 34001 1 519 . 1 1 51 51 ARG H H 1 7.541 0.020 . . . . . A 51 ARG H . 34001 1 520 . 1 1 51 51 ARG HA H 1 4.484 0.020 . . . . . A 51 ARG HA . 34001 1 521 . 1 1 51 51 ARG HB2 H 1 2.046 0.020 . . . . . A 51 ARG HB2 . 34001 1 522 . 1 1 51 51 ARG HB3 H 1 1.935 0.020 . . . . . A 51 ARG HB3 . 34001 1 523 . 1 1 51 51 ARG HG2 H 1 1.838 0.020 . . . . . A 51 ARG HG2 . 34001 1 524 . 1 1 51 51 ARG HG3 H 1 1.767 0.020 . . . . . A 51 ARG HG3 . 34001 1 525 . 1 1 51 51 ARG HD2 H 1 3.352 0.020 . . . . . A 51 ARG HD2 . 34001 1 526 . 1 1 51 51 ARG HD3 H 1 3.352 0.020 . . . . . A 51 ARG HD3 . 34001 1 527 . 1 1 51 51 ARG HE H 1 7.405 0.020 . . . . . A 51 ARG HE . 34001 1 528 . 1 1 51 51 ARG CB C 13 32.428 0.200 . . . . . A 51 ARG CB . 34001 1 529 . 1 1 51 51 ARG CG C 13 26.976 0.200 . . . . . A 51 ARG CG . 34001 1 530 . 1 1 51 51 ARG CD C 13 44.012 0.200 . . . . . A 51 ARG CD . 34001 1 531 . 1 1 51 51 ARG N N 15 117.940 0.200 . . . . . A 51 ARG N . 34001 1 532 . 1 1 51 51 ARG NE N 15 85.704 0.200 . . . . . A 51 ARG NE . 34001 1 533 . 1 1 52 52 SER H H 1 7.772 0.020 . . . . . A 52 SER H . 34001 1 534 . 1 1 52 52 SER HA H 1 4.914 0.020 . . . . . A 52 SER HA . 34001 1 535 . 1 1 52 52 SER HB2 H 1 3.930 0.020 . . . . . A 52 SER HB2 . 34001 1 536 . 1 1 52 52 SER HB3 H 1 3.930 0.020 . . . . . A 52 SER HB3 . 34001 1 537 . 1 1 52 52 SER CB C 13 64.774 0.200 . . . . . A 52 SER CB . 34001 1 538 . 1 1 52 52 SER N N 15 110.835 0.200 . . . . . A 52 SER N . 34001 1 539 . 1 1 53 53 CYS H H 1 9.668 0.020 . . . . . A 53 CYS H . 34001 1 540 . 1 1 53 53 CYS HA H 1 5.315 0.020 . . . . . A 53 CYS HA . 34001 1 541 . 1 1 53 53 CYS HB2 H 1 3.792 0.020 . . . . . A 53 CYS HB2 . 34001 1 542 . 1 1 53 53 CYS HB3 H 1 3.421 0.020 . . . . . A 53 CYS HB3 . 34001 1 543 . 1 1 53 53 CYS CA C 13 53.199 0.200 . . . . . A 53 CYS CA . 34001 1 544 . 1 1 53 53 CYS CB C 13 47.474 0.200 . . . . . A 53 CYS CB . 34001 1 545 . 1 1 53 53 CYS N N 15 120.465 0.200 . . . . . A 53 CYS N . 34001 1 546 . 1 1 54 54 ASP H H 1 7.506 0.020 . . . . . A 54 ASP H . 34001 1 547 . 1 1 54 54 ASP HA H 1 4.614 0.020 . . . . . A 54 ASP HA . 34001 1 548 . 1 1 54 54 ASP HB2 H 1 3.167 0.020 . . . . . A 54 ASP HB2 . 34001 1 549 . 1 1 54 54 ASP HB3 H 1 2.609 0.020 . . . . . A 54 ASP HB3 . 34001 1 550 . 1 1 54 54 ASP CB C 13 42.781 0.200 . . . . . A 54 ASP CB . 34001 1 551 . 1 1 54 54 ASP N N 15 115.680 0.200 . . . . . A 54 ASP N . 34001 1 552 . 1 1 55 55 LEU H H 1 7.343 0.020 . . . . . A 55 LEU H . 34001 1 553 . 1 1 55 55 LEU HA H 1 4.194 0.020 . . . . . A 55 LEU HA . 34001 1 554 . 1 1 55 55 LEU HB2 H 1 2.167 0.020 . . . . . A 55 LEU HB2 . 34001 1 555 . 1 1 55 55 LEU HB3 H 1 1.343 0.020 . . . . . A 55 LEU HB3 . 34001 1 556 . 1 1 55 55 LEU HG H 1 2.279 0.020 . . . . . A 55 LEU HG . 34001 1 557 . 1 1 55 55 LEU HD11 H 1 1.077 0.020 . . . . . A 55 LEU HD11 . 34001 1 558 . 1 1 55 55 LEU HD12 H 1 1.077 0.020 . . . . . A 55 LEU HD12 . 34001 1 559 . 1 1 55 55 LEU HD13 H 1 1.077 0.020 . . . . . A 55 LEU HD13 . 34001 1 560 . 1 1 55 55 LEU HD21 H 1 1.298 0.020 . . . . . A 55 LEU HD21 . 34001 1 561 . 1 1 55 55 LEU HD22 H 1 1.298 0.020 . . . . . A 55 LEU HD22 . 34001 1 562 . 1 1 55 55 LEU HD23 H 1 1.298 0.020 . . . . . A 55 LEU HD23 . 34001 1 563 . 1 1 55 55 LEU CA C 13 58.259 0.200 . . . . . A 55 LEU CA . 34001 1 564 . 1 1 55 55 LEU CB C 13 42.809 0.200 . . . . . A 55 LEU CB . 34001 1 565 . 1 1 55 55 LEU CG C 13 27.156 0.200 . . . . . A 55 LEU CG . 34001 1 566 . 1 1 55 55 LEU CD1 C 13 22.969 0.200 . . . . . A 55 LEU CD1 . 34001 1 567 . 1 1 55 55 LEU CD2 C 13 27.242 0.200 . . . . . A 55 LEU CD2 . 34001 1 568 . 1 1 55 55 LEU N N 15 117.043 0.200 . . . . . A 55 LEU N . 34001 1 569 . 1 1 56 56 ALA H H 1 8.476 0.020 . . . . . A 56 ALA H . 34001 1 570 . 1 1 56 56 ALA HA H 1 4.070 0.020 . . . . . A 56 ALA HA . 34001 1 571 . 1 1 56 56 ALA HB1 H 1 1.504 0.020 . . . . . A 56 ALA HB1 . 34001 1 572 . 1 1 56 56 ALA HB2 H 1 1.504 0.020 . . . . . A 56 ALA HB2 . 34001 1 573 . 1 1 56 56 ALA HB3 H 1 1.504 0.020 . . . . . A 56 ALA HB3 . 34001 1 574 . 1 1 56 56 ALA CA C 13 55.308 0.200 . . . . . A 56 ALA CA . 34001 1 575 . 1 1 56 56 ALA CB C 13 17.620 0.200 . . . . . A 56 ALA CB . 34001 1 576 . 1 1 56 56 ALA N N 15 120.406 0.200 . . . . . A 56 ALA N . 34001 1 577 . 1 1 57 57 LEU H H 1 8.020 0.020 . . . . . A 57 LEU H . 34001 1 578 . 1 1 57 57 LEU HA H 1 4.415 0.020 . . . . . A 57 LEU HA . 34001 1 579 . 1 1 57 57 LEU HB2 H 1 2.101 0.020 . . . . . A 57 LEU HB2 . 34001 1 580 . 1 1 57 57 LEU HB3 H 1 2.035 0.020 . . . . . A 57 LEU HB3 . 34001 1 581 . 1 1 57 57 LEU HG H 1 1.960 0.020 . . . . . A 57 LEU HG . 34001 1 582 . 1 1 57 57 LEU HD11 H 1 1.160 0.020 . . . . . A 57 LEU HD11 . 34001 1 583 . 1 1 57 57 LEU HD12 H 1 1.160 0.020 . . . . . A 57 LEU HD12 . 34001 1 584 . 1 1 57 57 LEU HD13 H 1 1.160 0.020 . . . . . A 57 LEU HD13 . 34001 1 585 . 1 1 57 57 LEU HD21 H 1 1.160 0.020 . . . . . A 57 LEU HD21 . 34001 1 586 . 1 1 57 57 LEU HD22 H 1 1.160 0.020 . . . . . A 57 LEU HD22 . 34001 1 587 . 1 1 57 57 LEU HD23 H 1 1.160 0.020 . . . . . A 57 LEU HD23 . 34001 1 588 . 1 1 57 57 LEU CA C 13 57.907 0.200 . . . . . A 57 LEU CA . 34001 1 589 . 1 1 57 57 LEU CB C 13 41.611 0.200 . . . . . A 57 LEU CB . 34001 1 590 . 1 1 57 57 LEU CG C 13 28.107 0.200 . . . . . A 57 LEU CG . 34001 1 591 . 1 1 57 57 LEU CD1 C 13 25.274 0.200 . . . . . A 57 LEU CD1 . 34001 1 592 . 1 1 57 57 LEU N N 15 120.580 0.200 . . . . . A 57 LEU N . 34001 1 593 . 1 1 58 58 LEU H H 1 8.330 0.020 . . . . . A 58 LEU H . 34001 1 594 . 1 1 58 58 LEU HA H 1 4.003 0.020 . . . . . A 58 LEU HA . 34001 1 595 . 1 1 58 58 LEU HB2 H 1 2.101 0.020 . . . . . A 58 LEU HB2 . 34001 1 596 . 1 1 58 58 LEU HB3 H 1 1.640 0.020 . . . . . A 58 LEU HB3 . 34001 1 597 . 1 1 58 58 LEU HG H 1 1.851 0.020 . . . . . A 58 LEU HG . 34001 1 598 . 1 1 58 58 LEU HD11 H 1 0.817 0.020 . . . . . A 58 LEU HD11 . 34001 1 599 . 1 1 58 58 LEU HD12 H 1 0.817 0.020 . . . . . A 58 LEU HD12 . 34001 1 600 . 1 1 58 58 LEU HD13 H 1 0.817 0.020 . . . . . A 58 LEU HD13 . 34001 1 601 . 1 1 58 58 LEU HD21 H 1 0.875 0.020 . . . . . A 58 LEU HD21 . 34001 1 602 . 1 1 58 58 LEU HD22 H 1 0.875 0.020 . . . . . A 58 LEU HD22 . 34001 1 603 . 1 1 58 58 LEU HD23 H 1 0.875 0.020 . . . . . A 58 LEU HD23 . 34001 1 604 . 1 1 58 58 LEU CA C 13 60.222 0.200 . . . . . A 58 LEU CA . 34001 1 605 . 1 1 58 58 LEU CB C 13 42.183 0.200 . . . . . A 58 LEU CB . 34001 1 606 . 1 1 58 58 LEU CG C 13 27.684 0.200 . . . . . A 58 LEU CG . 34001 1 607 . 1 1 58 58 LEU CD1 C 13 26.446 0.200 . . . . . A 58 LEU CD1 . 34001 1 608 . 1 1 58 58 LEU CD2 C 13 27.770 0.200 . . . . . A 58 LEU CD2 . 34001 1 609 . 1 1 58 58 LEU N N 15 123.888 0.200 . . . . . A 58 LEU N . 34001 1 610 . 1 1 59 59 GLU H H 1 8.030 0.020 . . . . . A 59 GLU H . 34001 1 611 . 1 1 59 59 GLU HA H 1 4.463 0.020 . . . . . A 59 GLU HA . 34001 1 612 . 1 1 59 59 GLU HB2 H 1 2.255 0.020 . . . . . A 59 GLU HB2 . 34001 1 613 . 1 1 59 59 GLU HB3 H 1 2.074 0.020 . . . . . A 59 GLU HB3 . 34001 1 614 . 1 1 59 59 GLU HG2 H 1 2.618 0.020 . . . . . A 59 GLU HG2 . 34001 1 615 . 1 1 59 59 GLU HG3 H 1 2.386 0.020 . . . . . A 59 GLU HG3 . 34001 1 616 . 1 1 59 59 GLU CB C 13 29.556 0.200 . . . . . A 59 GLU CB . 34001 1 617 . 1 1 59 59 GLU CG C 13 36.519 0.200 . . . . . A 59 GLU CG . 34001 1 618 . 1 1 59 59 GLU N N 15 115.700 0.200 . . . . . A 59 GLU N . 34001 1 619 . 1 1 60 60 THR H H 1 8.039 0.020 . . . . . A 60 THR H . 34001 1 620 . 1 1 60 60 THR HA H 1 4.402 0.020 . . . . . A 60 THR HA . 34001 1 621 . 1 1 60 60 THR HB H 1 4.419 0.020 . . . . . A 60 THR HB . 34001 1 622 . 1 1 60 60 THR HG21 H 1 1.598 0.020 . . . . . A 60 THR HG21 . 34001 1 623 . 1 1 60 60 THR HG22 H 1 1.598 0.020 . . . . . A 60 THR HG22 . 34001 1 624 . 1 1 60 60 THR HG23 H 1 1.598 0.020 . . . . . A 60 THR HG23 . 34001 1 625 . 1 1 60 60 THR CA C 13 64.558 0.200 . . . . . A 60 THR CA . 34001 1 626 . 1 1 60 60 THR CB C 13 69.782 0.200 . . . . . A 60 THR CB . 34001 1 627 . 1 1 60 60 THR CG2 C 13 21.714 0.200 . . . . . A 60 THR CG2 . 34001 1 628 . 1 1 60 60 THR N N 15 110.627 0.200 . . . . . A 60 THR N . 34001 1 629 . 1 1 61 61 TYR H H 1 8.281 0.020 . . . . . A 61 TYR H . 34001 1 630 . 1 1 61 61 TYR HA H 1 4.393 0.020 . . . . . A 61 TYR HA . 34001 1 631 . 1 1 61 61 TYR HB2 H 1 3.981 0.020 . . . . . A 61 TYR HB2 . 34001 1 632 . 1 1 61 61 TYR HB3 H 1 3.110 0.020 . . . . . A 61 TYR HB3 . 34001 1 633 . 1 1 61 61 TYR HD1 H 1 7.385 0.020 . . . . . A 61 TYR HD1 . 34001 1 634 . 1 1 61 61 TYR HD2 H 1 7.385 0.020 . . . . . A 61 TYR HD2 . 34001 1 635 . 1 1 61 61 TYR HE1 H 1 6.648 0.020 . . . . . A 61 TYR HE1 . 34001 1 636 . 1 1 61 61 TYR HE2 H 1 6.648 0.020 . . . . . A 61 TYR HE2 . 34001 1 637 . 1 1 61 61 TYR CB C 13 36.895 0.200 . . . . . A 61 TYR CB . 34001 1 638 . 1 1 61 61 TYR CD1 C 13 134.317 0.200 . . . . . A 61 TYR CD1 . 34001 1 639 . 1 1 61 61 TYR CE1 C 13 117.170 0.200 . . . . . A 61 TYR CE1 . 34001 1 640 . 1 1 61 61 TYR N N 15 120.839 0.200 . . . . . A 61 TYR N . 34001 1 641 . 1 1 62 62 CYS H H 1 7.614 0.020 . . . . . A 62 CYS H . 34001 1 642 . 1 1 62 62 CYS HA H 1 5.332 0.020 . . . . . A 62 CYS HA . 34001 1 643 . 1 1 62 62 CYS HB2 H 1 3.241 0.020 . . . . . A 62 CYS HB2 . 34001 1 644 . 1 1 62 62 CYS HB3 H 1 2.906 0.020 . . . . . A 62 CYS HB3 . 34001 1 645 . 1 1 62 62 CYS CA C 13 53.190 0.200 . . . . . A 62 CYS CA . 34001 1 646 . 1 1 62 62 CYS CB C 13 34.459 0.200 . . . . . A 62 CYS CB . 34001 1 647 . 1 1 62 62 CYS N N 15 116.527 0.200 . . . . . A 62 CYS N . 34001 1 648 . 1 1 63 63 ALA H H 1 8.218 0.020 . . . . . A 63 ALA H . 34001 1 649 . 1 1 63 63 ALA HA H 1 4.279 0.020 . . . . . A 63 ALA HA . 34001 1 650 . 1 1 63 63 ALA HB1 H 1 1.226 0.020 . . . . . A 63 ALA HB1 . 34001 1 651 . 1 1 63 63 ALA HB2 H 1 1.226 0.020 . . . . . A 63 ALA HB2 . 34001 1 652 . 1 1 63 63 ALA HB3 H 1 1.226 0.020 . . . . . A 63 ALA HB3 . 34001 1 653 . 1 1 63 63 ALA CA C 13 53.102 0.200 . . . . . A 63 ALA CA . 34001 1 654 . 1 1 63 63 ALA CB C 13 18.732 0.200 . . . . . A 63 ALA CB . 34001 1 655 . 1 1 63 63 ALA N N 15 125.653 0.200 . . . . . A 63 ALA N . 34001 1 656 . 1 1 64 64 THR H H 1 7.792 0.020 . . . . . A 64 THR H . 34001 1 657 . 1 1 64 64 THR HA H 1 4.794 0.020 . . . . . A 64 THR HA . 34001 1 658 . 1 1 64 64 THR HB H 1 4.293 0.020 . . . . . A 64 THR HB . 34001 1 659 . 1 1 64 64 THR HG21 H 1 1.379 0.020 . . . . . A 64 THR HG21 . 34001 1 660 . 1 1 64 64 THR HG22 H 1 1.379 0.020 . . . . . A 64 THR HG22 . 34001 1 661 . 1 1 64 64 THR HG23 H 1 1.379 0.020 . . . . . A 64 THR HG23 . 34001 1 662 . 1 1 64 64 THR CB C 13 70.234 0.200 . . . . . A 64 THR CB . 34001 1 663 . 1 1 64 64 THR CG2 C 13 21.775 0.200 . . . . . A 64 THR CG2 . 34001 1 664 . 1 1 64 64 THR N N 15 112.541 0.200 . . . . . A 64 THR N . 34001 1 665 . 1 1 65 65 PRO HA H 1 4.555 0.020 . . . . . A 65 PRO HA . 34001 1 666 . 1 1 65 65 PRO HB2 H 1 2.419 0.020 . . . . . A 65 PRO HB2 . 34001 1 667 . 1 1 65 65 PRO HB3 H 1 2.035 0.020 . . . . . A 65 PRO HB3 . 34001 1 668 . 1 1 65 65 PRO HG2 H 1 2.156 0.020 . . . . . A 65 PRO HG2 . 34001 1 669 . 1 1 65 65 PRO HG3 H 1 2.083 0.020 . . . . . A 65 PRO HG3 . 34001 1 670 . 1 1 65 65 PRO HD2 H 1 3.905 0.020 . . . . . A 65 PRO HD2 . 34001 1 671 . 1 1 65 65 PRO HD3 H 1 3.853 0.020 . . . . . A 65 PRO HD3 . 34001 1 672 . 1 1 65 65 PRO CB C 13 32.262 0.200 . . . . . A 65 PRO CB . 34001 1 673 . 1 1 65 65 PRO CG C 13 27.465 0.200 . . . . . A 65 PRO CG . 34001 1 674 . 1 1 65 65 PRO CD C 13 51.161 0.200 . . . . . A 65 PRO CD . 34001 1 675 . 1 1 66 66 ALA H H 1 8.502 0.020 . . . . . A 66 ALA H . 34001 1 676 . 1 1 66 66 ALA HA H 1 4.351 0.020 . . . . . A 66 ALA HA . 34001 1 677 . 1 1 66 66 ALA HB1 H 1 1.489 0.020 . . . . . A 66 ALA HB1 . 34001 1 678 . 1 1 66 66 ALA HB2 H 1 1.489 0.020 . . . . . A 66 ALA HB2 . 34001 1 679 . 1 1 66 66 ALA HB3 H 1 1.489 0.020 . . . . . A 66 ALA HB3 . 34001 1 680 . 1 1 66 66 ALA CA C 13 52.547 0.200 . . . . . A 66 ALA CA . 34001 1 681 . 1 1 66 66 ALA CB C 13 19.436 0.200 . . . . . A 66 ALA CB . 34001 1 682 . 1 1 66 66 ALA N N 15 124.372 0.200 . . . . . A 66 ALA N . 34001 1 683 . 1 1 67 67 LYS H H 1 8.352 0.020 . . . . . A 67 LYS H . 34001 1 684 . 1 1 67 67 LYS HA H 1 4.466 0.020 . . . . . A 67 LYS HA . 34001 1 685 . 1 1 67 67 LYS HB2 H 1 1.958 0.020 . . . . . A 67 LYS HB2 . 34001 1 686 . 1 1 67 67 LYS HB3 H 1 1.871 0.020 . . . . . A 67 LYS HB3 . 34001 1 687 . 1 1 67 67 LYS HG2 H 1 1.536 0.020 . . . . . A 67 LYS HG2 . 34001 1 688 . 1 1 67 67 LYS HG3 H 1 1.536 0.020 . . . . . A 67 LYS HG3 . 34001 1 689 . 1 1 67 67 LYS HD2 H 1 1.796 0.020 . . . . . A 67 LYS HD2 . 34001 1 690 . 1 1 67 67 LYS HD3 H 1 1.796 0.020 . . . . . A 67 LYS HD3 . 34001 1 691 . 1 1 67 67 LYS HE2 H 1 3.100 0.020 . . . . . A 67 LYS HE2 . 34001 1 692 . 1 1 67 67 LYS HE3 H 1 3.100 0.020 . . . . . A 67 LYS HE3 . 34001 1 693 . 1 1 67 67 LYS CA C 13 56.333 0.200 . . . . . A 67 LYS CA . 34001 1 694 . 1 1 67 67 LYS CB C 13 33.484 0.200 . . . . . A 67 LYS CB . 34001 1 695 . 1 1 67 67 LYS CG C 13 24.697 0.200 . . . . . A 67 LYS CG . 34001 1 696 . 1 1 67 67 LYS CD C 13 29.256 0.200 . . . . . A 67 LYS CD . 34001 1 697 . 1 1 67 67 LYS CE C 13 42.255 0.200 . . . . . A 67 LYS CE . 34001 1 698 . 1 1 67 67 LYS N N 15 120.707 0.200 . . . . . A 67 LYS N . 34001 1 699 . 1 1 68 68 SER H H 1 8.457 0.020 . . . . . A 68 SER H . 34001 1 700 . 1 1 68 68 SER HA H 1 4.574 0.020 . . . . . A 68 SER HA . 34001 1 701 . 1 1 68 68 SER HB2 H 1 3.965 0.020 . . . . . A 68 SER HB2 . 34001 1 702 . 1 1 68 68 SER HB3 H 1 3.965 0.020 . . . . . A 68 SER HB3 . 34001 1 703 . 1 1 68 68 SER CB C 13 64.062 0.200 . . . . . A 68 SER CB . 34001 1 704 . 1 1 68 68 SER N N 15 118.189 0.200 . . . . . A 68 SER N . 34001 1 705 . 1 1 69 69 GLU H H 1 8.064 0.020 . . . . . A 69 GLU H . 34001 1 706 . 1 1 69 69 GLU HA H 1 4.280 0.020 . . . . . A 69 GLU HA . 34001 1 707 . 1 1 69 69 GLU HB2 H 1 2.183 0.020 . . . . . A 69 GLU HB2 . 34001 1 708 . 1 1 69 69 GLU HB3 H 1 1.998 0.020 . . . . . A 69 GLU HB3 . 34001 1 709 . 1 1 69 69 GLU HG2 H 1 2.336 0.020 . . . . . A 69 GLU HG2 . 34001 1 710 . 1 1 69 69 GLU HG3 H 1 2.336 0.020 . . . . . A 69 GLU HG3 . 34001 1 711 . 1 1 69 69 GLU CA C 13 57.873 0.200 . . . . . A 69 GLU CA . 34001 1 712 . 1 1 69 69 GLU CB C 13 30.982 0.200 . . . . . A 69 GLU CB . 34001 1 713 . 1 1 69 69 GLU N N 15 127.397 0.200 . . . . . A 69 GLU N . 34001 1 stop_ save_