data_34000 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34000 _Entry.Title ; D11 bound 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. . . . 34000 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IGF-II . 34000 'cell cycle' . 34000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 174 34000 '15N chemical shifts' 72 34000 '1H chemical shifts' 448 34000 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' 34000 1 . . 2016-08-01 2016-05-23 original author 'original release' 34000 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34001 'D11 bound [S39_PQ]-IGF-II' 34000 BMRB 34002 'D11 bound [N29, S39_PQ]-IGF-II' 34000 PDB 5L3L 'BMRB Entry Tracking System' 34000 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34000 _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. . . . 34000 1 2 Kvetoslava Krizkova K. . . . 34000 1 3 Milan Fabry M. . . . 34000 1 4 Irena Sieglova I. . . . 34000 1 5 Katerina Kedrova K. . . . 34000 1 6 Michaela Collinsova M. . . . 34000 1 7 Pavlina Ullrichova P. . . . 34000 1 8 Pavel Srb P. . . . 34000 1 9 Christopher Williams C. . . . 34000 1 10 Matthew Crump M. P. . . 34000 1 11 Zdenek Tosner Z. . . . 34000 1 12 Jiri Jiracek J. . . . 34000 1 13 Vaclav Veverka V. . . . 34000 1 14 Lenka Zakova L. . . . 34000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34000 _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 . . . . . . 34000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34000 _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 CGDRGFYFSRPASRVSRRSR GIVEECCFRSCDLALLETYC ATPAKSE ; _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 67 _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 7484.472 _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 34000 1 Somatomedin-A na 34000 1 'T3M-11-derived growth factor' na 34000 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 . 34000 1 2 2 TYR . 34000 1 3 3 ARG . 34000 1 4 4 PRO . 34000 1 5 5 SER . 34000 1 6 6 GLU . 34000 1 7 7 THR . 34000 1 8 8 LEU . 34000 1 9 9 CYS . 34000 1 10 10 GLY . 34000 1 11 11 GLY . 34000 1 12 12 GLU . 34000 1 13 13 LEU . 34000 1 14 14 VAL . 34000 1 15 15 ASP . 34000 1 16 16 THR . 34000 1 17 17 LEU . 34000 1 18 18 GLN . 34000 1 19 19 PHE . 34000 1 20 20 VAL . 34000 1 21 21 CYS . 34000 1 22 22 GLY . 34000 1 23 23 ASP . 34000 1 24 24 ARG . 34000 1 25 25 GLY . 34000 1 26 26 PHE . 34000 1 27 27 TYR . 34000 1 28 28 PHE . 34000 1 29 29 SER . 34000 1 30 30 ARG . 34000 1 31 31 PRO . 34000 1 32 32 ALA . 34000 1 33 33 SER . 34000 1 34 34 ARG . 34000 1 35 35 VAL . 34000 1 36 36 SER . 34000 1 37 37 ARG . 34000 1 38 38 ARG . 34000 1 39 39 SER . 34000 1 40 40 ARG . 34000 1 41 41 GLY . 34000 1 42 42 ILE . 34000 1 43 43 VAL . 34000 1 44 44 GLU . 34000 1 45 45 GLU . 34000 1 46 46 CYS . 34000 1 47 47 CYS . 34000 1 48 48 PHE . 34000 1 49 49 ARG . 34000 1 50 50 SER . 34000 1 51 51 CYS . 34000 1 52 52 ASP . 34000 1 53 53 LEU . 34000 1 54 54 ALA . 34000 1 55 55 LEU . 34000 1 56 56 LEU . 34000 1 57 57 GLU . 34000 1 58 58 THR . 34000 1 59 59 TYR . 34000 1 60 60 CYS . 34000 1 61 61 ALA . 34000 1 62 62 THR . 34000 1 63 63 PRO . 34000 1 64 64 ALA . 34000 1 65 65 LYS . 34000 1 66 66 SER . 34000 1 67 67 GLU . 34000 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 34000 1 . TYR 2 2 34000 1 . ARG 3 3 34000 1 . PRO 4 4 34000 1 . SER 5 5 34000 1 . GLU 6 6 34000 1 . THR 7 7 34000 1 . LEU 8 8 34000 1 . CYS 9 9 34000 1 . GLY 10 10 34000 1 . GLY 11 11 34000 1 . GLU 12 12 34000 1 . LEU 13 13 34000 1 . VAL 14 14 34000 1 . ASP 15 15 34000 1 . THR 16 16 34000 1 . LEU 17 17 34000 1 . GLN 18 18 34000 1 . PHE 19 19 34000 1 . VAL 20 20 34000 1 . CYS 21 21 34000 1 . GLY 22 22 34000 1 . ASP 23 23 34000 1 . ARG 24 24 34000 1 . GLY 25 25 34000 1 . PHE 26 26 34000 1 . TYR 27 27 34000 1 . PHE 28 28 34000 1 . SER 29 29 34000 1 . ARG 30 30 34000 1 . PRO 31 31 34000 1 . ALA 32 32 34000 1 . SER 33 33 34000 1 . ARG 34 34 34000 1 . VAL 35 35 34000 1 . SER 36 36 34000 1 . ARG 37 37 34000 1 . ARG 38 38 34000 1 . SER 39 39 34000 1 . ARG 40 40 34000 1 . GLY 41 41 34000 1 . ILE 42 42 34000 1 . VAL 43 43 34000 1 . GLU 44 44 34000 1 . GLU 45 45 34000 1 . CYS 46 46 34000 1 . CYS 47 47 34000 1 . PHE 48 48 34000 1 . ARG 49 49 34000 1 . SER 50 50 34000 1 . CYS 51 51 34000 1 . ASP 52 52 34000 1 . LEU 53 53 34000 1 . ALA 54 54 34000 1 . LEU 55 55 34000 1 . LEU 56 56 34000 1 . GLU 57 57 34000 1 . THR 58 58 34000 1 . TYR 59 59 34000 1 . CYS 60 60 34000 1 . ALA 61 61 34000 1 . THR 62 62 34000 1 . PRO 63 63 34000 1 . ALA 64 64 34000 1 . LYS 65 65 34000 1 . SER 66 66 34000 1 . GLU 67 67 34000 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 34000 _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' . 34000 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 34000 _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 . . . . . . . . . . 34000 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34000 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 uM 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 . . uM . . . . 34000 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34000 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34000 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 34000 _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 34000 1 pH 4.2 . pH 34000 1 pressure 1 . atm 34000 1 temperature 308 . K 34000 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34000 _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' . . 34000 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34000 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34000 _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 . . 34000 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34000 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34000 _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' . . 34000 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34000 3 processing 34000 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34000 _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' . . 34000 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34000 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 34000 _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 34000 _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 34000 _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 . . . 34000 1 2 NMR_spectrometer_2 Bruker AvanceIII . 850 . . . 34000 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 34000 _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 . . . . . . . . . . . . . . . . 34000 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34000 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34000 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34000 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34000 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34000 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34000 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34000 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 34000 _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 . . . . . 34000 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34000 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34000 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 34000 _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' . . . 34000 1 3 '3D HNCACB' . . . 34000 1 4 '3D HNCO' . . . 34000 1 5 '3D HN(CA)CO' . . . 34000 1 6 '3D HCCH-TOCSY' . . . 34000 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 . . 34000 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 8.595 0.020 . . . . . A 1 ALA H . 34000 1 2 . 1 1 1 1 ALA HA H 1 4.440 0.020 . . . . . A 1 ALA HA . 34000 1 3 . 1 1 1 1 ALA HB1 H 1 1.432 0.020 . . . . . A 1 ALA HB1 . 34000 1 4 . 1 1 1 1 ALA HB2 H 1 1.432 0.020 . . . . . A 1 ALA HB2 . 34000 1 5 . 1 1 1 1 ALA HB3 H 1 1.432 0.020 . . . . . A 1 ALA HB3 . 34000 1 6 . 1 1 1 1 ALA CA C 13 52.531 0.200 . . . . . A 1 ALA CA . 34000 1 7 . 1 1 1 1 ALA CB C 13 19.563 0.200 . . . . . A 1 ALA CB . 34000 1 8 . 1 1 1 1 ALA N N 15 123.720 0.200 . . . . . A 1 ALA N . 34000 1 9 . 1 1 2 2 TYR H H 1 8.382 0.020 . . . . . A 2 TYR H . 34000 1 10 . 1 1 2 2 TYR HA H 1 4.654 0.020 . . . . . A 2 TYR HA . 34000 1 11 . 1 1 2 2 TYR HB2 H 1 3.110 0.020 . . . . . A 2 TYR HB2 . 34000 1 12 . 1 1 2 2 TYR HB3 H 1 3.042 0.020 . . . . . A 2 TYR HB3 . 34000 1 13 . 1 1 2 2 TYR HD1 H 1 7.211 0.020 . . . . . A 2 TYR HD1 . 34000 1 14 . 1 1 2 2 TYR HD2 H 1 7.211 0.020 . . . . . A 2 TYR HD2 . 34000 1 15 . 1 1 2 2 TYR HE1 H 1 6.926 0.020 . . . . . A 2 TYR HE1 . 34000 1 16 . 1 1 2 2 TYR HE2 H 1 6.926 0.020 . . . . . A 2 TYR HE2 . 34000 1 17 . 1 1 2 2 TYR CB C 13 39.047 0.200 . . . . . A 2 TYR CB . 34000 1 18 . 1 1 2 2 TYR CD1 C 13 133.287 0.200 . . . . . A 2 TYR CD1 . 34000 1 19 . 1 1 2 2 TYR CE1 C 13 118.306 0.200 . . . . . A 2 TYR CE1 . 34000 1 20 . 1 1 2 2 TYR N N 15 120.589 0.200 . . . . . A 2 TYR N . 34000 1 21 . 1 1 3 3 ARG H H 1 8.210 0.020 . . . . . A 3 ARG H . 34000 1 22 . 1 1 3 3 ARG HA H 1 4.672 0.020 . . . . . A 3 ARG HA . 34000 1 23 . 1 1 3 3 ARG HB2 H 1 1.873 0.020 . . . . . A 3 ARG HB2 . 34000 1 24 . 1 1 3 3 ARG HB3 H 1 1.743 0.020 . . . . . A 3 ARG HB3 . 34000 1 25 . 1 1 3 3 ARG HG2 H 1 1.676 0.020 . . . . . A 3 ARG HG2 . 34000 1 26 . 1 1 3 3 ARG HG3 H 1 1.676 0.020 . . . . . A 3 ARG HG3 . 34000 1 27 . 1 1 3 3 ARG HD2 H 1 3.282 0.020 . . . . . A 3 ARG HD2 . 34000 1 28 . 1 1 3 3 ARG HD3 H 1 3.282 0.020 . . . . . A 3 ARG HD3 . 34000 1 29 . 1 1 3 3 ARG HE H 1 7.264 0.020 . . . . . A 3 ARG HE . 34000 1 30 . 1 1 3 3 ARG CB C 13 30.894 0.200 . . . . . A 3 ARG CB . 34000 1 31 . 1 1 3 3 ARG CG C 13 26.826 0.200 . . . . . A 3 ARG CG . 34000 1 32 . 1 1 3 3 ARG N N 15 125.712 0.200 . . . . . A 3 ARG N . 34000 1 33 . 1 1 3 3 ARG NE N 15 85.204 0.200 . . . . . A 3 ARG NE . 34000 1 34 . 1 1 4 4 PRO HA H 1 4.468 0.020 . . . . . A 4 PRO HA . 34000 1 35 . 1 1 4 4 PRO HB2 H 1 2.426 0.020 . . . . . A 4 PRO HB2 . 34000 1 36 . 1 1 4 4 PRO HB3 H 1 2.057 0.020 . . . . . A 4 PRO HB3 . 34000 1 37 . 1 1 4 4 PRO HG2 H 1 2.108 0.020 . . . . . A 4 PRO HG2 . 34000 1 38 . 1 1 4 4 PRO HG3 H 1 2.083 0.020 . . . . . A 4 PRO HG3 . 34000 1 39 . 1 1 4 4 PRO HD2 H 1 3.691 0.020 . . . . . A 4 PRO HD2 . 34000 1 40 . 1 1 4 4 PRO HD3 H 1 3.637 0.020 . . . . . A 4 PRO HD3 . 34000 1 41 . 1 1 4 4 PRO CB C 13 32.180 0.200 . . . . . A 4 PRO CB . 34000 1 42 . 1 1 4 4 PRO CG C 13 27.373 0.200 . . . . . A 4 PRO CG . 34000 1 43 . 1 1 4 4 PRO CD C 13 50.688 0.200 . . . . . A 4 PRO CD . 34000 1 44 . 1 1 5 5 SER H H 1 8.316 0.020 . . . . . A 5 SER H . 34000 1 45 . 1 1 5 5 SER HA H 1 4.540 0.020 . . . . . A 5 SER HA . 34000 1 46 . 1 1 5 5 SER HB2 H 1 4.016 0.020 . . . . . A 5 SER HB2 . 34000 1 47 . 1 1 5 5 SER HB3 H 1 4.016 0.020 . . . . . A 5 SER HB3 . 34000 1 48 . 1 1 5 5 SER CB C 13 63.986 0.200 . . . . . A 5 SER CB . 34000 1 49 . 1 1 5 5 SER N N 15 115.341 0.200 . . . . . A 5 SER N . 34000 1 50 . 1 1 6 6 GLU H H 1 8.577 0.020 . . . . . A 6 GLU H . 34000 1 51 . 1 1 6 6 GLU HA H 1 4.571 0.020 . . . . . A 6 GLU HA . 34000 1 52 . 1 1 6 6 GLU HB2 H 1 2.251 0.020 . . . . . A 6 GLU HB2 . 34000 1 53 . 1 1 6 6 GLU HB3 H 1 2.116 0.020 . . . . . A 6 GLU HB3 . 34000 1 54 . 1 1 6 6 GLU HG2 H 1 2.445 0.020 . . . . . A 6 GLU HG2 . 34000 1 55 . 1 1 6 6 GLU HG3 H 1 2.445 0.020 . . . . . A 6 GLU HG3 . 34000 1 56 . 1 1 6 6 GLU CB C 13 29.757 0.200 . . . . . A 6 GLU CB . 34000 1 57 . 1 1 6 6 GLU CG C 13 34.793 0.200 . . . . . A 6 GLU CG . 34000 1 58 . 1 1 6 6 GLU N N 15 122.320 0.200 . . . . . A 6 GLU N . 34000 1 59 . 1 1 7 7 THR H H 1 8.030 0.020 . . . . . A 7 THR H . 34000 1 60 . 1 1 7 7 THR HA H 1 4.636 0.020 . . . . . A 7 THR HA . 34000 1 61 . 1 1 7 7 THR HB H 1 4.633 0.020 . . . . . A 7 THR HB . 34000 1 62 . 1 1 7 7 THR HG21 H 1 1.047 0.020 . . . . . A 7 THR HG21 . 34000 1 63 . 1 1 7 7 THR HG22 H 1 1.047 0.020 . . . . . A 7 THR HG22 . 34000 1 64 . 1 1 7 7 THR HG23 H 1 1.047 0.020 . . . . . A 7 THR HG23 . 34000 1 65 . 1 1 7 7 THR CG2 C 13 22.521 0.200 . . . . . A 7 THR CG2 . 34000 1 66 . 1 1 7 7 THR N N 15 113.924 0.200 . . . . . A 7 THR N . 34000 1 67 . 1 1 8 8 LEU H H 1 8.730 0.020 . . . . . A 8 LEU H . 34000 1 68 . 1 1 8 8 LEU HA H 1 4.726 0.020 . . . . . A 8 LEU HA . 34000 1 69 . 1 1 8 8 LEU HB2 H 1 1.679 0.020 . . . . . A 8 LEU HB2 . 34000 1 70 . 1 1 8 8 LEU HB3 H 1 1.425 0.020 . . . . . A 8 LEU HB3 . 34000 1 71 . 1 1 8 8 LEU HG H 1 1.278 0.020 . . . . . A 8 LEU HG . 34000 1 72 . 1 1 8 8 LEU HD11 H 1 0.955 0.020 . . . . . A 8 LEU HD11 . 34000 1 73 . 1 1 8 8 LEU HD12 H 1 0.955 0.020 . . . . . A 8 LEU HD12 . 34000 1 74 . 1 1 8 8 LEU HD13 H 1 0.955 0.020 . . . . . A 8 LEU HD13 . 34000 1 75 . 1 1 8 8 LEU HD21 H 1 0.924 0.020 . . . . . A 8 LEU HD21 . 34000 1 76 . 1 1 8 8 LEU HD22 H 1 0.924 0.020 . . . . . A 8 LEU HD22 . 34000 1 77 . 1 1 8 8 LEU HD23 H 1 0.924 0.020 . . . . . A 8 LEU HD23 . 34000 1 78 . 1 1 8 8 LEU CB C 13 44.980 0.200 . . . . . A 8 LEU CB . 34000 1 79 . 1 1 8 8 LEU CG C 13 26.835 0.200 . . . . . A 8 LEU CG . 34000 1 80 . 1 1 8 8 LEU CD1 C 13 24.264 0.200 . . . . . A 8 LEU CD1 . 34000 1 81 . 1 1 8 8 LEU CD2 C 13 26.395 0.200 . . . . . A 8 LEU CD2 . 34000 1 82 . 1 1 8 8 LEU N N 15 124.961 0.200 . . . . . A 8 LEU N . 34000 1 83 . 1 1 9 9 CYS H H 1 8.516 0.020 . . . . . A 9 CYS H . 34000 1 84 . 1 1 9 9 CYS HA H 1 5.025 0.020 . . . . . A 9 CYS HA . 34000 1 85 . 1 1 9 9 CYS HB2 H 1 3.299 0.020 . . . . . A 9 CYS HB2 . 34000 1 86 . 1 1 9 9 CYS HB3 H 1 2.957 0.020 . . . . . A 9 CYS HB3 . 34000 1 87 . 1 1 9 9 CYS CB C 13 48.559 0.200 . . . . . A 9 CYS CB . 34000 1 88 . 1 1 9 9 CYS N N 15 119.519 0.200 . . . . . A 9 CYS N . 34000 1 89 . 1 1 10 10 GLY H H 1 9.135 0.020 . . . . . A 10 GLY H . 34000 1 90 . 1 1 10 10 GLY HA2 H 1 4.019 0.020 . . . . . A 10 GLY HA2 . 34000 1 91 . 1 1 10 10 GLY HA3 H 1 3.925 0.020 . . . . . A 10 GLY HA3 . 34000 1 92 . 1 1 10 10 GLY CA C 13 47.065 0.200 . . . . . A 10 GLY CA . 34000 1 93 . 1 1 10 10 GLY N N 15 109.292 0.200 . . . . . A 10 GLY N . 34000 1 94 . 1 1 11 11 GLY H H 1 9.059 0.020 . . . . . A 11 GLY H . 34000 1 95 . 1 1 11 11 GLY HA2 H 1 3.951 0.020 . . . . . A 11 GLY HA2 . 34000 1 96 . 1 1 11 11 GLY HA3 H 1 3.833 0.020 . . . . . A 11 GLY HA3 . 34000 1 97 . 1 1 11 11 GLY CA C 13 47.420 0.200 . . . . . A 11 GLY CA . 34000 1 98 . 1 1 11 11 GLY N N 15 113.677 0.200 . . . . . A 11 GLY N . 34000 1 99 . 1 1 12 12 GLU H H 1 8.843 0.020 . . . . . A 12 GLU H . 34000 1 100 . 1 1 12 12 GLU HA H 1 4.174 0.020 . . . . . A 12 GLU HA . 34000 1 101 . 1 1 12 12 GLU HB2 H 1 2.381 0.020 . . . . . A 12 GLU HB2 . 34000 1 102 . 1 1 12 12 GLU HB3 H 1 2.082 0.020 . . . . . A 12 GLU HB3 . 34000 1 103 . 1 1 12 12 GLU HG2 H 1 2.715 0.020 . . . . . A 12 GLU HG2 . 34000 1 104 . 1 1 12 12 GLU HG3 H 1 2.593 0.020 . . . . . A 12 GLU HG3 . 34000 1 105 . 1 1 12 12 GLU CA C 13 60.178 0.200 . . . . . A 12 GLU CA . 34000 1 106 . 1 1 12 12 GLU CB C 13 29.096 0.200 . . . . . A 12 GLU CB . 34000 1 107 . 1 1 12 12 GLU CG C 13 36.292 0.200 . . . . . A 12 GLU CG . 34000 1 108 . 1 1 12 12 GLU N N 15 121.798 0.200 . . . . . A 12 GLU N . 34000 1 109 . 1 1 13 13 LEU H H 1 7.218 0.020 . . . . . A 13 LEU H . 34000 1 110 . 1 1 13 13 LEU HA H 1 3.909 0.020 . . . . . A 13 LEU HA . 34000 1 111 . 1 1 13 13 LEU HB2 H 1 2.190 0.020 . . . . . A 13 LEU HB2 . 34000 1 112 . 1 1 13 13 LEU HB3 H 1 1.155 0.020 . . . . . A 13 LEU HB3 . 34000 1 113 . 1 1 13 13 LEU HG H 1 1.395 0.020 . . . . . A 13 LEU HG . 34000 1 114 . 1 1 13 13 LEU HD11 H 1 0.963 0.020 . . . . . A 13 LEU HD11 . 34000 1 115 . 1 1 13 13 LEU HD12 H 1 0.963 0.020 . . . . . A 13 LEU HD12 . 34000 1 116 . 1 1 13 13 LEU HD13 H 1 0.963 0.020 . . . . . A 13 LEU HD13 . 34000 1 117 . 1 1 13 13 LEU HD21 H 1 0.759 0.020 . . . . . A 13 LEU HD21 . 34000 1 118 . 1 1 13 13 LEU HD22 H 1 0.759 0.020 . . . . . A 13 LEU HD22 . 34000 1 119 . 1 1 13 13 LEU HD23 H 1 0.759 0.020 . . . . . A 13 LEU HD23 . 34000 1 120 . 1 1 13 13 LEU CA C 13 58.395 0.200 . . . . . A 13 LEU CA . 34000 1 121 . 1 1 13 13 LEU CB C 13 40.246 0.200 . . . . . A 13 LEU CB . 34000 1 122 . 1 1 13 13 LEU CG C 13 27.503 0.200 . . . . . A 13 LEU CG . 34000 1 123 . 1 1 13 13 LEU CD1 C 13 25.798 0.200 . . . . . A 13 LEU CD1 . 34000 1 124 . 1 1 13 13 LEU CD2 C 13 22.670 0.200 . . . . . A 13 LEU CD2 . 34000 1 125 . 1 1 13 13 LEU N N 15 124.052 0.200 . . . . . A 13 LEU N . 34000 1 126 . 1 1 14 14 VAL H H 1 7.568 0.020 . . . . . A 14 VAL H . 34000 1 127 . 1 1 14 14 VAL HA H 1 3.462 0.020 . . . . . A 14 VAL HA . 34000 1 128 . 1 1 14 14 VAL HB H 1 2.268 0.020 . . . . . A 14 VAL HB . 34000 1 129 . 1 1 14 14 VAL HG11 H 1 1.246 0.020 . . . . . A 14 VAL HG11 . 34000 1 130 . 1 1 14 14 VAL HG12 H 1 1.246 0.020 . . . . . A 14 VAL HG12 . 34000 1 131 . 1 1 14 14 VAL HG13 H 1 1.246 0.020 . . . . . A 14 VAL HG13 . 34000 1 132 . 1 1 14 14 VAL HG21 H 1 1.226 0.020 . . . . . A 14 VAL HG21 . 34000 1 133 . 1 1 14 14 VAL HG22 H 1 1.226 0.020 . . . . . A 14 VAL HG22 . 34000 1 134 . 1 1 14 14 VAL HG23 H 1 1.226 0.020 . . . . . A 14 VAL HG23 . 34000 1 135 . 1 1 14 14 VAL CA C 13 67.599 0.200 . . . . . A 14 VAL CA . 34000 1 136 . 1 1 14 14 VAL CB C 13 31.703 0.200 . . . . . A 14 VAL CB . 34000 1 137 . 1 1 14 14 VAL CG1 C 13 23.011 0.200 . . . . . A 14 VAL CG1 . 34000 1 138 . 1 1 14 14 VAL CG2 C 13 21.627 0.200 . . . . . A 14 VAL CG2 . 34000 1 139 . 1 1 14 14 VAL N N 15 118.963 0.200 . . . . . A 14 VAL N . 34000 1 140 . 1 1 15 15 ASP H H 1 8.745 0.020 . . . . . A 15 ASP H . 34000 1 141 . 1 1 15 15 ASP HA H 1 4.666 0.020 . . . . . A 15 ASP HA . 34000 1 142 . 1 1 15 15 ASP HB2 H 1 3.018 0.020 . . . . . A 15 ASP HB2 . 34000 1 143 . 1 1 15 15 ASP HB3 H 1 2.659 0.020 . . . . . A 15 ASP HB3 . 34000 1 144 . 1 1 15 15 ASP CB C 13 42.053 0.200 . . . . . A 15 ASP CB . 34000 1 145 . 1 1 15 15 ASP N N 15 118.243 0.200 . . . . . A 15 ASP N . 34000 1 146 . 1 1 16 16 THR H H 1 7.986 0.020 . . . . . A 16 THR H . 34000 1 147 . 1 1 16 16 THR HA H 1 4.092 0.020 . . . . . A 16 THR HA . 34000 1 148 . 1 1 16 16 THR HB H 1 4.329 0.020 . . . . . A 16 THR HB . 34000 1 149 . 1 1 16 16 THR HG1 H 1 5.166 0.020 . . . . . A 16 THR HG1 . 34000 1 150 . 1 1 16 16 THR HG21 H 1 1.332 0.020 . . . . . A 16 THR HG21 . 34000 1 151 . 1 1 16 16 THR HG22 H 1 1.332 0.020 . . . . . A 16 THR HG22 . 34000 1 152 . 1 1 16 16 THR HG23 H 1 1.332 0.020 . . . . . A 16 THR HG23 . 34000 1 153 . 1 1 16 16 THR CA C 13 68.410 0.200 . . . . . A 16 THR CA . 34000 1 154 . 1 1 16 16 THR CB C 13 68.006 0.200 . . . . . A 16 THR CB . 34000 1 155 . 1 1 16 16 THR CG2 C 13 21.694 0.200 . . . . . A 16 THR CG2 . 34000 1 156 . 1 1 16 16 THR N N 15 116.896 0.200 . . . . . A 16 THR N . 34000 1 157 . 1 1 17 17 LEU H H 1 8.331 0.020 . . . . . A 17 LEU H . 34000 1 158 . 1 1 17 17 LEU HA H 1 3.739 0.020 . . . . . A 17 LEU HA . 34000 1 159 . 1 1 17 17 LEU HB2 H 1 1.158 0.020 . . . . . A 17 LEU HB2 . 34000 1 160 . 1 1 17 17 LEU HB3 H 1 0.234 0.020 . . . . . A 17 LEU HB3 . 34000 1 161 . 1 1 17 17 LEU HG H 1 1.133 0.020 . . . . . A 17 LEU HG . 34000 1 162 . 1 1 17 17 LEU HD11 H 1 0.430 0.020 . . . . . A 17 LEU HD11 . 34000 1 163 . 1 1 17 17 LEU HD12 H 1 0.430 0.020 . . . . . A 17 LEU HD12 . 34000 1 164 . 1 1 17 17 LEU HD13 H 1 0.430 0.020 . . . . . A 17 LEU HD13 . 34000 1 165 . 1 1 17 17 LEU HD21 H 1 0.580 0.020 . . . . . A 17 LEU HD21 . 34000 1 166 . 1 1 17 17 LEU HD22 H 1 0.580 0.020 . . . . . A 17 LEU HD22 . 34000 1 167 . 1 1 17 17 LEU HD23 H 1 0.580 0.020 . . . . . A 17 LEU HD23 . 34000 1 168 . 1 1 17 17 LEU CA C 13 58.760 0.200 . . . . . A 17 LEU CA . 34000 1 169 . 1 1 17 17 LEU CB C 13 41.340 0.200 . . . . . A 17 LEU CB . 34000 1 170 . 1 1 17 17 LEU CG C 13 27.182 0.200 . . . . . A 17 LEU CG . 34000 1 171 . 1 1 17 17 LEU CD1 C 13 25.533 0.200 . . . . . A 17 LEU CD1 . 34000 1 172 . 1 1 17 17 LEU CD2 C 13 23.962 0.200 . . . . . A 17 LEU CD2 . 34000 1 173 . 1 1 17 17 LEU N N 15 124.667 0.200 . . . . . A 17 LEU N . 34000 1 174 . 1 1 18 18 GLN H H 1 8.322 0.020 . . . . . A 18 GLN H . 34000 1 175 . 1 1 18 18 GLN HA H 1 4.322 0.020 . . . . . A 18 GLN HA . 34000 1 176 . 1 1 18 18 GLN HB2 H 1 2.510 0.020 . . . . . A 18 GLN HB2 . 34000 1 177 . 1 1 18 18 GLN HB3 H 1 2.449 0.020 . . . . . A 18 GLN HB3 . 34000 1 178 . 1 1 18 18 GLN HG2 H 1 2.885 0.020 . . . . . A 18 GLN HG2 . 34000 1 179 . 1 1 18 18 GLN HG3 H 1 2.702 0.020 . . . . . A 18 GLN HG3 . 34000 1 180 . 1 1 18 18 GLN HE21 H 1 7.430 0.020 . . . . . A 18 GLN HE21 . 34000 1 181 . 1 1 18 18 GLN HE22 H 1 7.084 0.020 . . . . . A 18 GLN HE22 . 34000 1 182 . 1 1 18 18 GLN CA C 13 59.111 0.200 . . . . . A 18 GLN CA . 34000 1 183 . 1 1 18 18 GLN CB C 13 28.705 0.200 . . . . . A 18 GLN CB . 34000 1 184 . 1 1 18 18 GLN CG C 13 34.934 0.200 . . . . . A 18 GLN CG . 34000 1 185 . 1 1 18 18 GLN N N 15 116.695 0.200 . . . . . A 18 GLN N . 34000 1 186 . 1 1 18 18 GLN NE2 N 15 111.170 0.200 . . . . . A 18 GLN NE2 . 34000 1 187 . 1 1 19 19 PHE H H 1 7.788 0.020 . . . . . A 19 PHE H . 34000 1 188 . 1 1 19 19 PHE HA H 1 3.979 0.020 . . . . . A 19 PHE HA . 34000 1 189 . 1 1 19 19 PHE HB2 H 1 2.708 0.020 . . . . . A 19 PHE HB2 . 34000 1 190 . 1 1 19 19 PHE HB3 H 1 2.398 0.020 . . . . . A 19 PHE HB3 . 34000 1 191 . 1 1 19 19 PHE HD1 H 1 5.717 0.020 . . . . . A 19 PHE HD1 . 34000 1 192 . 1 1 19 19 PHE HD2 H 1 5.717 0.020 . . . . . A 19 PHE HD2 . 34000 1 193 . 1 1 19 19 PHE HE1 H 1 6.517 0.020 . . . . . A 19 PHE HE1 . 34000 1 194 . 1 1 19 19 PHE HE2 H 1 6.517 0.020 . . . . . A 19 PHE HE2 . 34000 1 195 . 1 1 19 19 PHE HZ H 1 6.635 0.020 . . . . . A 19 PHE HZ . 34000 1 196 . 1 1 19 19 PHE CA C 13 59.500 0.200 . . . . . A 19 PHE CA . 34000 1 197 . 1 1 19 19 PHE CB C 13 40.745 0.200 . . . . . A 19 PHE CB . 34000 1 198 . 1 1 19 19 PHE CD1 C 13 131.098 0.200 . . . . . A 19 PHE CD1 . 34000 1 199 . 1 1 19 19 PHE CE1 C 13 129.117 0.200 . . . . . A 19 PHE CE1 . 34000 1 200 . 1 1 19 19 PHE CZ C 13 127.636 0.200 . . . . . A 19 PHE CZ . 34000 1 201 . 1 1 19 19 PHE N N 15 119.933 0.200 . . . . . A 19 PHE N . 34000 1 202 . 1 1 20 20 VAL H H 1 8.673 0.020 . . . . . A 20 VAL H . 34000 1 203 . 1 1 20 20 VAL HA H 1 3.261 0.020 . . . . . A 20 VAL HA . 34000 1 204 . 1 1 20 20 VAL HB H 1 1.977 0.020 . . . . . A 20 VAL HB . 34000 1 205 . 1 1 20 20 VAL HG11 H 1 1.072 0.020 . . . . . A 20 VAL HG11 . 34000 1 206 . 1 1 20 20 VAL HG12 H 1 1.072 0.020 . . . . . A 20 VAL HG12 . 34000 1 207 . 1 1 20 20 VAL HG13 H 1 1.072 0.020 . . . . . A 20 VAL HG13 . 34000 1 208 . 1 1 20 20 VAL HG21 H 1 0.895 0.020 . . . . . A 20 VAL HG21 . 34000 1 209 . 1 1 20 20 VAL HG22 H 1 0.895 0.020 . . . . . A 20 VAL HG22 . 34000 1 210 . 1 1 20 20 VAL HG23 H 1 0.895 0.020 . . . . . A 20 VAL HG23 . 34000 1 211 . 1 1 20 20 VAL CA C 13 65.638 0.200 . . . . . A 20 VAL CA . 34000 1 212 . 1 1 20 20 VAL CB C 13 32.098 0.200 . . . . . A 20 VAL CB . 34000 1 213 . 1 1 20 20 VAL CG1 C 13 24.117 0.200 . . . . . A 20 VAL CG1 . 34000 1 214 . 1 1 20 20 VAL CG2 C 13 21.175 0.200 . . . . . A 20 VAL CG2 . 34000 1 215 . 1 1 20 20 VAL N N 15 117.857 0.200 . . . . . A 20 VAL N . 34000 1 216 . 1 1 21 21 CYS H H 1 8.560 0.020 . . . . . A 21 CYS H . 34000 1 217 . 1 1 21 21 CYS HA H 1 4.884 0.020 . . . . . A 21 CYS HA . 34000 1 218 . 1 1 21 21 CYS HB2 H 1 3.452 0.020 . . . . . A 21 CYS HB2 . 34000 1 219 . 1 1 21 21 CYS HB3 H 1 2.984 0.020 . . . . . A 21 CYS HB3 . 34000 1 220 . 1 1 21 21 CYS CB C 13 36.424 0.200 . . . . . A 21 CYS CB . 34000 1 221 . 1 1 21 21 CYS N N 15 114.616 0.200 . . . . . A 21 CYS N . 34000 1 222 . 1 1 22 22 GLY H H 1 7.950 0.020 . . . . . A 22 GLY H . 34000 1 223 . 1 1 22 22 GLY HA2 H 1 4.264 0.020 . . . . . A 22 GLY HA2 . 34000 1 224 . 1 1 22 22 GLY HA3 H 1 4.022 0.020 . . . . . A 22 GLY HA3 . 34000 1 225 . 1 1 22 22 GLY CA C 13 47.158 0.200 . . . . . A 22 GLY CA . 34000 1 226 . 1 1 22 22 GLY N N 15 110.353 0.200 . . . . . A 22 GLY N . 34000 1 227 . 1 1 23 23 ASP H H 1 9.420 0.020 . . . . . A 23 ASP H . 34000 1 228 . 1 1 23 23 ASP HA H 1 4.811 0.020 . . . . . A 23 ASP HA . 34000 1 229 . 1 1 23 23 ASP HB2 H 1 3.046 0.020 . . . . . A 23 ASP HB2 . 34000 1 230 . 1 1 23 23 ASP HB3 H 1 2.644 0.020 . . . . . A 23 ASP HB3 . 34000 1 231 . 1 1 23 23 ASP CB C 13 41.196 0.200 . . . . . A 23 ASP CB . 34000 1 232 . 1 1 23 23 ASP N N 15 126.511 0.200 . . . . . A 23 ASP N . 34000 1 233 . 1 1 24 24 ARG H H 1 8.327 0.020 . . . . . A 24 ARG H . 34000 1 234 . 1 1 24 24 ARG HA H 1 4.141 0.020 . . . . . A 24 ARG HA . 34000 1 235 . 1 1 24 24 ARG HB2 H 1 2.292 0.020 . . . . . A 24 ARG HB2 . 34000 1 236 . 1 1 24 24 ARG HB3 H 1 2.240 0.020 . . . . . A 24 ARG HB3 . 34000 1 237 . 1 1 24 24 ARG HG2 H 1 2.051 0.020 . . . . . A 24 ARG HG2 . 34000 1 238 . 1 1 24 24 ARG HG3 H 1 1.861 0.020 . . . . . A 24 ARG HG3 . 34000 1 239 . 1 1 24 24 ARG HD2 H 1 3.479 0.020 . . . . . A 24 ARG HD2 . 34000 1 240 . 1 1 24 24 ARG HD3 H 1 3.479 0.020 . . . . . A 24 ARG HD3 . 34000 1 241 . 1 1 24 24 ARG HE H 1 7.034 0.020 . . . . . A 24 ARG HE . 34000 1 242 . 1 1 24 24 ARG CA C 13 58.764 0.200 . . . . . A 24 ARG CA . 34000 1 243 . 1 1 24 24 ARG CB C 13 31.683 0.200 . . . . . A 24 ARG CB . 34000 1 244 . 1 1 24 24 ARG CG C 13 27.280 0.200 . . . . . A 24 ARG CG . 34000 1 245 . 1 1 24 24 ARG CD C 13 44.814 0.200 . . . . . A 24 ARG CD . 34000 1 246 . 1 1 24 24 ARG N N 15 118.413 0.200 . . . . . A 24 ARG N . 34000 1 247 . 1 1 24 24 ARG NE N 15 83.888 0.200 . . . . . A 24 ARG NE . 34000 1 248 . 1 1 25 25 GLY H H 1 7.293 0.020 . . . . . A 25 GLY H . 34000 1 249 . 1 1 25 25 GLY HA2 H 1 4.195 0.020 . . . . . A 25 GLY HA2 . 34000 1 250 . 1 1 25 25 GLY HA3 H 1 3.855 0.020 . . . . . A 25 GLY HA3 . 34000 1 251 . 1 1 25 25 GLY CA C 13 44.323 0.200 . . . . . A 25 GLY CA . 34000 1 252 . 1 1 25 25 GLY N N 15 102.232 0.200 . . . . . A 25 GLY N . 34000 1 253 . 1 1 26 26 PHE H H 1 7.618 0.020 . . . . . A 26 PHE H . 34000 1 254 . 1 1 26 26 PHE HA H 1 5.355 0.020 . . . . . A 26 PHE HA . 34000 1 255 . 1 1 26 26 PHE HB2 H 1 3.434 0.020 . . . . . A 26 PHE HB2 . 34000 1 256 . 1 1 26 26 PHE HB3 H 1 2.948 0.020 . . . . . A 26 PHE HB3 . 34000 1 257 . 1 1 26 26 PHE HD1 H 1 6.732 0.020 . . . . . A 26 PHE HD1 . 34000 1 258 . 1 1 26 26 PHE HD2 H 1 6.732 0.020 . . . . . A 26 PHE HD2 . 34000 1 259 . 1 1 26 26 PHE HE1 H 1 7.092 0.020 . . . . . A 26 PHE HE1 . 34000 1 260 . 1 1 26 26 PHE HE2 H 1 7.092 0.020 . . . . . A 26 PHE HE2 . 34000 1 261 . 1 1 26 26 PHE HZ H 1 7.342 0.020 . . . . . A 26 PHE HZ . 34000 1 262 . 1 1 26 26 PHE CA C 13 56.178 0.200 . . . . . A 26 PHE CA . 34000 1 263 . 1 1 26 26 PHE CB C 13 42.496 0.200 . . . . . A 26 PHE CB . 34000 1 264 . 1 1 26 26 PHE CD1 C 13 132.798 0.200 . . . . . A 26 PHE CD1 . 34000 1 265 . 1 1 26 26 PHE CE1 C 13 131.115 0.200 . . . . . A 26 PHE CE1 . 34000 1 266 . 1 1 26 26 PHE CZ C 13 129.658 0.200 . . . . . A 26 PHE CZ . 34000 1 267 . 1 1 26 26 PHE N N 15 112.587 0.200 . . . . . A 26 PHE N . 34000 1 268 . 1 1 27 27 TYR H H 1 8.820 0.020 . . . . . A 27 TYR H . 34000 1 269 . 1 1 27 27 TYR HA H 1 5.062 0.020 . . . . . A 27 TYR HA . 34000 1 270 . 1 1 27 27 TYR HB2 H 1 3.589 0.020 . . . . . A 27 TYR HB2 . 34000 1 271 . 1 1 27 27 TYR HB3 H 1 3.104 0.020 . . . . . A 27 TYR HB3 . 34000 1 272 . 1 1 27 27 TYR HD1 H 1 7.244 0.020 . . . . . A 27 TYR HD1 . 34000 1 273 . 1 1 27 27 TYR HD2 H 1 7.244 0.020 . . . . . A 27 TYR HD2 . 34000 1 274 . 1 1 27 27 TYR HE1 H 1 6.913 0.020 . . . . . A 27 TYR HE1 . 34000 1 275 . 1 1 27 27 TYR HE2 H 1 6.913 0.020 . . . . . A 27 TYR HE2 . 34000 1 276 . 1 1 27 27 TYR CB C 13 41.739 0.200 . . . . . A 27 TYR CB . 34000 1 277 . 1 1 27 27 TYR CD1 C 13 133.347 0.200 . . . . . A 27 TYR CD1 . 34000 1 278 . 1 1 27 27 TYR CE1 C 13 118.198 0.200 . . . . . A 27 TYR CE1 . 34000 1 279 . 1 1 27 27 TYR N N 15 118.781 0.200 . . . . . A 27 TYR N . 34000 1 280 . 1 1 28 28 PHE H H 1 8.917 0.020 . . . . . A 28 PHE H . 34000 1 281 . 1 1 28 28 PHE HA H 1 4.939 0.020 . . . . . A 28 PHE HA . 34000 1 282 . 1 1 28 28 PHE HB2 H 1 3.433 0.020 . . . . . A 28 PHE HB2 . 34000 1 283 . 1 1 28 28 PHE HB3 H 1 3.219 0.020 . . . . . A 28 PHE HB3 . 34000 1 284 . 1 1 28 28 PHE HD1 H 1 7.409 0.020 . . . . . A 28 PHE HD1 . 34000 1 285 . 1 1 28 28 PHE HD2 H 1 7.409 0.020 . . . . . A 28 PHE HD2 . 34000 1 286 . 1 1 28 28 PHE HE1 H 1 7.378 0.020 . . . . . A 28 PHE HE1 . 34000 1 287 . 1 1 28 28 PHE HE2 H 1 7.378 0.020 . . . . . A 28 PHE HE2 . 34000 1 288 . 1 1 28 28 PHE HZ H 1 7.437 0.020 . . . . . A 28 PHE HZ . 34000 1 289 . 1 1 28 28 PHE CB C 13 40.526 0.200 . . . . . A 28 PHE CB . 34000 1 290 . 1 1 28 28 PHE CD1 C 13 131.421 0.200 . . . . . A 28 PHE CD1 . 34000 1 291 . 1 1 28 28 PHE CE1 C 13 131.344 0.200 . . . . . A 28 PHE CE1 . 34000 1 292 . 1 1 28 28 PHE CZ C 13 129.747 0.200 . . . . . A 28 PHE CZ . 34000 1 293 . 1 1 28 28 PHE N N 15 115.565 0.200 . . . . . A 28 PHE N . 34000 1 294 . 1 1 29 29 SER H H 1 8.143 0.020 . . . . . A 29 SER H . 34000 1 295 . 1 1 29 29 SER HA H 1 5.236 0.020 . . . . . A 29 SER HA . 34000 1 296 . 1 1 29 29 SER HB2 H 1 4.043 0.020 . . . . . A 29 SER HB2 . 34000 1 297 . 1 1 29 29 SER HB3 H 1 3.999 0.020 . . . . . A 29 SER HB3 . 34000 1 298 . 1 1 29 29 SER CB C 13 65.148 0.200 . . . . . A 29 SER CB . 34000 1 299 . 1 1 29 29 SER N N 15 113.604 0.200 . . . . . A 29 SER N . 34000 1 300 . 1 1 30 30 ARG H H 1 8.766 0.020 . . . . . A 30 ARG H . 34000 1 301 . 1 1 30 30 ARG HA H 1 4.654 0.020 . . . . . A 30 ARG HA . 34000 1 302 . 1 1 30 30 ARG HB2 H 1 1.850 0.020 . . . . . A 30 ARG HB2 . 34000 1 303 . 1 1 30 30 ARG HB3 H 1 1.671 0.020 . . . . . A 30 ARG HB3 . 34000 1 304 . 1 1 30 30 ARG HG2 H 1 1.512 0.020 . . . . . A 30 ARG HG2 . 34000 1 305 . 1 1 30 30 ARG HG3 H 1 1.512 0.020 . . . . . A 30 ARG HG3 . 34000 1 306 . 1 1 30 30 ARG HD2 H 1 3.004 0.020 . . . . . A 30 ARG HD2 . 34000 1 307 . 1 1 30 30 ARG HD3 H 1 2.962 0.020 . . . . . A 30 ARG HD3 . 34000 1 308 . 1 1 30 30 ARG HE H 1 6.897 0.020 . . . . . A 30 ARG HE . 34000 1 309 . 1 1 30 30 ARG CB C 13 30.676 0.200 . . . . . A 30 ARG CB . 34000 1 310 . 1 1 30 30 ARG CG C 13 26.789 0.200 . . . . . A 30 ARG CG . 34000 1 311 . 1 1 30 30 ARG CD C 13 43.517 0.200 . . . . . A 30 ARG CD . 34000 1 312 . 1 1 30 30 ARG N N 15 122.371 0.200 . . . . . A 30 ARG N . 34000 1 313 . 1 1 30 30 ARG NE N 15 84.305 0.200 . . . . . A 30 ARG NE . 34000 1 314 . 1 1 31 31 PRO HA H 1 4.368 0.020 . . . . . A 31 PRO HA . 34000 1 315 . 1 1 31 31 PRO HB2 H 1 2.233 0.020 . . . . . A 31 PRO HB2 . 34000 1 316 . 1 1 31 31 PRO HB3 H 1 1.931 0.020 . . . . . A 31 PRO HB3 . 34000 1 317 . 1 1 31 31 PRO HG2 H 1 2.029 0.020 . . . . . A 31 PRO HG2 . 34000 1 318 . 1 1 31 31 PRO HG3 H 1 1.908 0.020 . . . . . A 31 PRO HG3 . 34000 1 319 . 1 1 31 31 PRO HD2 H 1 3.530 0.020 . . . . . A 31 PRO HD2 . 34000 1 320 . 1 1 31 31 PRO HD3 H 1 3.622 0.020 . . . . . A 31 PRO HD3 . 34000 1 321 . 1 1 31 31 PRO CA C 13 63.038 0.200 . . . . . A 31 PRO CA . 34000 1 322 . 1 1 31 31 PRO CB C 13 32.153 0.200 . . . . . A 31 PRO CB . 34000 1 323 . 1 1 31 31 PRO CG C 13 27.477 0.200 . . . . . A 31 PRO CG . 34000 1 324 . 1 1 31 31 PRO CD C 13 50.487 0.200 . . . . . A 31 PRO CD . 34000 1 325 . 1 1 32 32 ALA H H 1 8.484 0.020 . . . . . A 32 ALA H . 34000 1 326 . 1 1 32 32 ALA HA H 1 4.292 0.020 . . . . . A 32 ALA HA . 34000 1 327 . 1 1 32 32 ALA HB1 H 1 1.470 0.020 . . . . . A 32 ALA HB1 . 34000 1 328 . 1 1 32 32 ALA HB2 H 1 1.470 0.020 . . . . . A 32 ALA HB2 . 34000 1 329 . 1 1 32 32 ALA HB3 H 1 1.470 0.020 . . . . . A 32 ALA HB3 . 34000 1 330 . 1 1 32 32 ALA CA C 13 53.061 0.200 . . . . . A 32 ALA CA . 34000 1 331 . 1 1 32 32 ALA CB C 13 19.655 0.200 . . . . . A 32 ALA CB . 34000 1 332 . 1 1 32 32 ALA N N 15 123.890 0.200 . . . . . A 32 ALA N . 34000 1 333 . 1 1 33 33 SER H H 1 8.316 0.020 . . . . . A 33 SER H . 34000 1 334 . 1 1 33 33 SER HA H 1 4.637 0.020 . . . . . A 33 SER HA . 34000 1 335 . 1 1 33 33 SER HB2 H 1 4.120 0.020 . . . . . A 33 SER HB2 . 34000 1 336 . 1 1 33 33 SER HB3 H 1 3.945 0.020 . . . . . A 33 SER HB3 . 34000 1 337 . 1 1 33 33 SER CB C 13 64.674 0.200 . . . . . A 33 SER CB . 34000 1 338 . 1 1 33 33 SER N N 15 114.090 0.200 . . . . . A 33 SER N . 34000 1 339 . 1 1 34 34 ARG H H 1 8.520 0.020 . . . . . A 34 ARG H . 34000 1 340 . 1 1 34 34 ARG HA H 1 4.356 0.020 . . . . . A 34 ARG HA . 34000 1 341 . 1 1 34 34 ARG HB2 H 1 2.008 0.020 . . . . . A 34 ARG HB2 . 34000 1 342 . 1 1 34 34 ARG HB3 H 1 1.927 0.020 . . . . . A 34 ARG HB3 . 34000 1 343 . 1 1 34 34 ARG HG2 H 1 1.751 0.020 . . . . . A 34 ARG HG2 . 34000 1 344 . 1 1 34 34 ARG HG3 H 1 1.751 0.020 . . . . . A 34 ARG HG3 . 34000 1 345 . 1 1 34 34 ARG HD2 H 1 3.306 0.020 . . . . . A 34 ARG HD2 . 34000 1 346 . 1 1 34 34 ARG HD3 H 1 3.306 0.020 . . . . . A 34 ARG HD3 . 34000 1 347 . 1 1 34 34 ARG HE H 1 7.346 0.020 . . . . . A 34 ARG HE . 34000 1 348 . 1 1 34 34 ARG CA C 13 57.520 0.200 . . . . . A 34 ARG CA . 34000 1 349 . 1 1 34 34 ARG CB C 13 30.407 0.200 . . . . . A 34 ARG CB . 34000 1 350 . 1 1 34 34 ARG CG C 13 27.312 0.200 . . . . . A 34 ARG CG . 34000 1 351 . 1 1 34 34 ARG CD C 13 43.417 0.200 . . . . . A 34 ARG CD . 34000 1 352 . 1 1 34 34 ARG N N 15 120.702 0.200 . . . . . A 34 ARG N . 34000 1 353 . 1 1 34 34 ARG NE N 15 84.822 0.200 . . . . . A 34 ARG NE . 34000 1 354 . 1 1 35 35 VAL H H 1 7.902 0.020 . . . . . A 35 VAL H . 34000 1 355 . 1 1 35 35 VAL HA H 1 4.294 0.020 . . . . . A 35 VAL HA . 34000 1 356 . 1 1 35 35 VAL HB H 1 2.255 0.020 . . . . . A 35 VAL HB . 34000 1 357 . 1 1 35 35 VAL HG11 H 1 1.005 0.020 . . . . . A 35 VAL HG11 . 34000 1 358 . 1 1 35 35 VAL HG12 H 1 1.005 0.020 . . . . . A 35 VAL HG12 . 34000 1 359 . 1 1 35 35 VAL HG13 H 1 1.005 0.020 . . . . . A 35 VAL HG13 . 34000 1 360 . 1 1 35 35 VAL HG21 H 1 0.980 0.020 . . . . . A 35 VAL HG21 . 34000 1 361 . 1 1 35 35 VAL HG22 H 1 0.980 0.020 . . . . . A 35 VAL HG22 . 34000 1 362 . 1 1 35 35 VAL HG23 H 1 0.980 0.020 . . . . . A 35 VAL HG23 . 34000 1 363 . 1 1 35 35 VAL CA C 13 62.402 0.200 . . . . . A 35 VAL CA . 34000 1 364 . 1 1 35 35 VAL CB C 13 32.561 0.200 . . . . . A 35 VAL CB . 34000 1 365 . 1 1 35 35 VAL CG1 C 13 21.325 0.200 . . . . . A 35 VAL CG1 . 34000 1 366 . 1 1 35 35 VAL CG2 C 13 20.187 0.200 . . . . . A 35 VAL CG2 . 34000 1 367 . 1 1 35 35 VAL N N 15 115.422 0.200 . . . . . A 35 VAL N . 34000 1 368 . 1 1 36 36 SER H H 1 7.970 0.020 . . . . . A 36 SER H . 34000 1 369 . 1 1 36 36 SER HA H 1 4.606 0.020 . . . . . A 36 SER HA . 34000 1 370 . 1 1 36 36 SER HB2 H 1 3.967 0.020 . . . . . A 36 SER HB2 . 34000 1 371 . 1 1 36 36 SER HB3 H 1 3.941 0.020 . . . . . A 36 SER HB3 . 34000 1 372 . 1 1 36 36 SER CB C 13 64.211 0.200 . . . . . A 36 SER CB . 34000 1 373 . 1 1 36 36 SER N N 15 117.245 0.200 . . . . . A 36 SER N . 34000 1 374 . 1 1 37 37 ARG H H 1 8.428 0.020 . . . . . A 37 ARG H . 34000 1 375 . 1 1 37 37 ARG HA H 1 4.429 0.020 . . . . . A 37 ARG HA . 34000 1 376 . 1 1 37 37 ARG HB2 H 1 2.040 0.020 . . . . . A 37 ARG HB2 . 34000 1 377 . 1 1 37 37 ARG HB3 H 1 1.901 0.020 . . . . . A 37 ARG HB3 . 34000 1 378 . 1 1 37 37 ARG HG2 H 1 1.748 0.020 . . . . . A 37 ARG HG2 . 34000 1 379 . 1 1 37 37 ARG HG3 H 1 1.748 0.020 . . . . . A 37 ARG HG3 . 34000 1 380 . 1 1 37 37 ARG HD2 H 1 3.300 0.020 . . . . . A 37 ARG HD2 . 34000 1 381 . 1 1 37 37 ARG HD3 H 1 3.300 0.020 . . . . . A 37 ARG HD3 . 34000 1 382 . 1 1 37 37 ARG CA C 13 56.710 0.200 . . . . . A 37 ARG CA . 34000 1 383 . 1 1 37 37 ARG CB C 13 30.432 0.200 . . . . . A 37 ARG CB . 34000 1 384 . 1 1 37 37 ARG CG C 13 27.264 0.200 . . . . . A 37 ARG CG . 34000 1 385 . 1 1 37 37 ARG CD C 13 43.495 0.200 . . . . . A 37 ARG CD . 34000 1 386 . 1 1 37 37 ARG N N 15 122.100 0.200 . . . . . A 37 ARG N . 34000 1 387 . 1 1 38 38 ARG H H 1 8.239 0.020 . . . . . A 38 ARG H . 34000 1 388 . 1 1 38 38 ARG HA H 1 4.513 0.020 . . . . . A 38 ARG HA . 34000 1 389 . 1 1 38 38 ARG HB2 H 1 1.970 0.020 . . . . . A 38 ARG HB2 . 34000 1 390 . 1 1 38 38 ARG HB3 H 1 1.854 0.020 . . . . . A 38 ARG HB3 . 34000 1 391 . 1 1 38 38 ARG HG2 H 1 1.733 0.020 . . . . . A 38 ARG HG2 . 34000 1 392 . 1 1 38 38 ARG HG3 H 1 1.733 0.020 . . . . . A 38 ARG HG3 . 34000 1 393 . 1 1 38 38 ARG HD2 H 1 3.302 0.020 . . . . . A 38 ARG HD2 . 34000 1 394 . 1 1 38 38 ARG HD3 H 1 3.302 0.020 . . . . . A 38 ARG HD3 . 34000 1 395 . 1 1 38 38 ARG HE H 1 7.304 0.020 . . . . . A 38 ARG HE . 34000 1 396 . 1 1 38 38 ARG CB C 13 31.085 0.200 . . . . . A 38 ARG CB . 34000 1 397 . 1 1 38 38 ARG CG C 13 27.209 0.200 . . . . . A 38 ARG CG . 34000 1 398 . 1 1 38 38 ARG CD C 13 43.398 0.200 . . . . . A 38 ARG CD . 34000 1 399 . 1 1 38 38 ARG N N 15 120.102 0.200 . . . . . A 38 ARG N . 34000 1 400 . 1 1 38 38 ARG NE N 15 84.747 0.200 . . . . . A 38 ARG NE . 34000 1 401 . 1 1 39 39 SER H H 1 8.447 0.020 . . . . . A 39 SER H . 34000 1 402 . 1 1 39 39 SER HA H 1 4.647 0.020 . . . . . A 39 SER HA . 34000 1 403 . 1 1 39 39 SER HB2 H 1 3.966 0.020 . . . . . A 39 SER HB2 . 34000 1 404 . 1 1 39 39 SER HB3 H 1 3.966 0.020 . . . . . A 39 SER HB3 . 34000 1 405 . 1 1 39 39 SER CB C 13 64.547 0.200 . . . . . A 39 SER CB . 34000 1 406 . 1 1 39 39 SER N N 15 118.088 0.200 . . . . . A 39 SER N . 34000 1 407 . 1 1 40 40 ARG H H 1 8.740 0.020 . . . . . A 40 ARG H . 34000 1 408 . 1 1 40 40 ARG HA H 1 4.663 0.020 . . . . . A 40 ARG HA . 34000 1 409 . 1 1 40 40 ARG HB2 H 1 2.034 0.020 . . . . . A 40 ARG HB2 . 34000 1 410 . 1 1 40 40 ARG HB3 H 1 1.861 0.020 . . . . . A 40 ARG HB3 . 34000 1 411 . 1 1 40 40 ARG HG2 H 1 1.772 0.020 . . . . . A 40 ARG HG2 . 34000 1 412 . 1 1 40 40 ARG HG3 H 1 1.772 0.020 . . . . . A 40 ARG HG3 . 34000 1 413 . 1 1 40 40 ARG HD2 H 1 3.262 0.020 . . . . . A 40 ARG HD2 . 34000 1 414 . 1 1 40 40 ARG HD3 H 1 3.262 0.020 . . . . . A 40 ARG HD3 . 34000 1 415 . 1 1 40 40 ARG HE H 1 7.564 0.020 . . . . . A 40 ARG HE . 34000 1 416 . 1 1 40 40 ARG CB C 13 32.194 0.200 . . . . . A 40 ARG CB . 34000 1 417 . 1 1 40 40 ARG CG C 13 27.274 0.200 . . . . . A 40 ARG CG . 34000 1 418 . 1 1 40 40 ARG CD C 13 43.599 0.200 . . . . . A 40 ARG CD . 34000 1 419 . 1 1 40 40 ARG N N 15 122.596 0.200 . . . . . A 40 ARG N . 34000 1 420 . 1 1 40 40 ARG NE N 15 84.938 0.200 . . . . . A 40 ARG NE . 34000 1 421 . 1 1 41 41 GLY H H 1 8.659 0.020 . . . . . A 41 GLY H . 34000 1 422 . 1 1 41 41 GLY HA2 H 1 4.704 0.020 . . . . . A 41 GLY HA2 . 34000 1 423 . 1 1 41 41 GLY HA3 H 1 4.304 0.020 . . . . . A 41 GLY HA3 . 34000 1 424 . 1 1 41 41 GLY CA C 13 45.338 0.200 . . . . . A 41 GLY CA . 34000 1 425 . 1 1 41 41 GLY N N 15 111.262 0.200 . . . . . A 41 GLY N . 34000 1 426 . 1 1 42 42 ILE H H 1 8.009 0.020 . . . . . A 42 ILE H . 34000 1 427 . 1 1 42 42 ILE HA H 1 3.676 0.020 . . . . . A 42 ILE HA . 34000 1 428 . 1 1 42 42 ILE HB H 1 0.637 0.020 . . . . . A 42 ILE HB . 34000 1 429 . 1 1 42 42 ILE HG12 H 1 1.051 0.020 . . . . . A 42 ILE HG12 . 34000 1 430 . 1 1 42 42 ILE HG13 H 1 0.901 0.020 . . . . . A 42 ILE HG13 . 34000 1 431 . 1 1 42 42 ILE HG21 H 1 0.837 0.020 . . . . . A 42 ILE HG21 . 34000 1 432 . 1 1 42 42 ILE HG22 H 1 0.837 0.020 . . . . . A 42 ILE HG22 . 34000 1 433 . 1 1 42 42 ILE HG23 H 1 0.837 0.020 . . . . . A 42 ILE HG23 . 34000 1 434 . 1 1 42 42 ILE HD11 H 1 0.521 0.020 . . . . . A 42 ILE HD11 . 34000 1 435 . 1 1 42 42 ILE HD12 H 1 0.521 0.020 . . . . . A 42 ILE HD12 . 34000 1 436 . 1 1 42 42 ILE HD13 H 1 0.521 0.020 . . . . . A 42 ILE HD13 . 34000 1 437 . 1 1 42 42 ILE CA C 13 63.061 0.200 . . . . . A 42 ILE CA . 34000 1 438 . 1 1 42 42 ILE CB C 13 37.245 0.200 . . . . . A 42 ILE CB . 34000 1 439 . 1 1 42 42 ILE CG1 C 13 29.719 0.200 . . . . . A 42 ILE CG1 . 34000 1 440 . 1 1 42 42 ILE CG2 C 13 18.225 0.200 . . . . . A 42 ILE CG2 . 34000 1 441 . 1 1 42 42 ILE CD1 C 13 15.435 0.200 . . . . . A 42 ILE CD1 . 34000 1 442 . 1 1 42 42 ILE N N 15 121.410 0.200 . . . . . A 42 ILE N . 34000 1 443 . 1 1 43 43 VAL H H 1 8.317 0.020 . . . . . A 43 VAL H . 34000 1 444 . 1 1 43 43 VAL HA H 1 3.491 0.020 . . . . . A 43 VAL HA . 34000 1 445 . 1 1 43 43 VAL HB H 1 1.957 0.020 . . . . . A 43 VAL HB . 34000 1 446 . 1 1 43 43 VAL HG11 H 1 1.042 0.020 . . . . . A 43 VAL HG11 . 34000 1 447 . 1 1 43 43 VAL HG12 H 1 1.042 0.020 . . . . . A 43 VAL HG12 . 34000 1 448 . 1 1 43 43 VAL HG13 H 1 1.042 0.020 . . . . . A 43 VAL HG13 . 34000 1 449 . 1 1 43 43 VAL HG21 H 1 0.667 0.020 . . . . . A 43 VAL HG21 . 34000 1 450 . 1 1 43 43 VAL HG22 H 1 0.667 0.020 . . . . . A 43 VAL HG22 . 34000 1 451 . 1 1 43 43 VAL HG23 H 1 0.667 0.020 . . . . . A 43 VAL HG23 . 34000 1 452 . 1 1 43 43 VAL CA C 13 66.685 0.200 . . . . . A 43 VAL CA . 34000 1 453 . 1 1 43 43 VAL CB C 13 31.260 0.200 . . . . . A 43 VAL CB . 34000 1 454 . 1 1 43 43 VAL CG1 C 13 22.985 0.200 . . . . . A 43 VAL CG1 . 34000 1 455 . 1 1 43 43 VAL CG2 C 13 21.462 0.200 . . . . . A 43 VAL CG2 . 34000 1 456 . 1 1 43 43 VAL N N 15 123.909 0.200 . . . . . A 43 VAL N . 34000 1 457 . 1 1 44 44 GLU H H 1 8.109 0.020 . . . . . A 44 GLU H . 34000 1 458 . 1 1 44 44 GLU HA H 1 3.984 0.020 . . . . . A 44 GLU HA . 34000 1 459 . 1 1 44 44 GLU HB2 H 1 2.338 0.020 . . . . . A 44 GLU HB2 . 34000 1 460 . 1 1 44 44 GLU HB3 H 1 2.168 0.020 . . . . . A 44 GLU HB3 . 34000 1 461 . 1 1 44 44 GLU HG2 H 1 2.525 0.020 . . . . . A 44 GLU HG2 . 34000 1 462 . 1 1 44 44 GLU HG3 H 1 2.415 0.020 . . . . . A 44 GLU HG3 . 34000 1 463 . 1 1 44 44 GLU CA C 13 60.210 0.200 . . . . . A 44 GLU CA . 34000 1 464 . 1 1 44 44 GLU CB C 13 29.298 0.200 . . . . . A 44 GLU CB . 34000 1 465 . 1 1 44 44 GLU CG C 13 37.037 0.200 . . . . . A 44 GLU CG . 34000 1 466 . 1 1 44 44 GLU N N 15 121.323 0.200 . . . . . A 44 GLU N . 34000 1 467 . 1 1 45 45 GLU H H 1 7.563 0.020 . . . . . A 45 GLU H . 34000 1 468 . 1 1 45 45 GLU HA H 1 4.337 0.020 . . . . . A 45 GLU HA . 34000 1 469 . 1 1 45 45 GLU HB2 H 1 2.191 0.020 . . . . . A 45 GLU HB2 . 34000 1 470 . 1 1 45 45 GLU HB3 H 1 2.009 0.020 . . . . . A 45 GLU HB3 . 34000 1 471 . 1 1 45 45 GLU HG2 H 1 2.625 0.020 . . . . . A 45 GLU HG2 . 34000 1 472 . 1 1 45 45 GLU HG3 H 1 2.336 0.020 . . . . . A 45 GLU HG3 . 34000 1 473 . 1 1 45 45 GLU CA C 13 58.786 0.200 . . . . . A 45 GLU CA . 34000 1 474 . 1 1 45 45 GLU CB C 13 31.536 0.200 . . . . . A 45 GLU CB . 34000 1 475 . 1 1 45 45 GLU CG C 13 36.454 0.200 . . . . . A 45 GLU CG . 34000 1 476 . 1 1 45 45 GLU N N 15 113.330 0.200 . . . . . A 45 GLU N . 34000 1 477 . 1 1 46 46 CYS H H 1 8.207 0.020 . . . . . A 46 CYS H . 34000 1 478 . 1 1 46 46 CYS HA H 1 5.160 0.020 . . . . . A 46 CYS HA . 34000 1 479 . 1 1 46 46 CYS HB2 H 1 3.243 0.020 . . . . . A 46 CYS HB2 . 34000 1 480 . 1 1 46 46 CYS HB3 H 1 2.905 0.020 . . . . . A 46 CYS HB3 . 34000 1 481 . 1 1 46 46 CYS CB C 13 45.135 0.200 . . . . . A 46 CYS CB . 34000 1 482 . 1 1 46 46 CYS N N 15 109.840 0.200 . . . . . A 46 CYS N . 34000 1 483 . 1 1 47 47 CYS H H 1 8.250 0.020 . . . . . A 47 CYS H . 34000 1 484 . 1 1 47 47 CYS HA H 1 4.813 0.020 . . . . . A 47 CYS HA . 34000 1 485 . 1 1 47 47 CYS HB2 H 1 3.750 0.020 . . . . . A 47 CYS HB2 . 34000 1 486 . 1 1 47 47 CYS HB3 H 1 3.230 0.020 . . . . . A 47 CYS HB3 . 34000 1 487 . 1 1 47 47 CYS CB C 13 39.148 0.200 . . . . . A 47 CYS CB . 34000 1 488 . 1 1 47 47 CYS N N 15 117.334 0.200 . . . . . A 47 CYS N . 34000 1 489 . 1 1 48 48 PHE H H 1 7.906 0.020 . . . . . A 48 PHE H . 34000 1 490 . 1 1 48 48 PHE HA H 1 4.781 0.020 . . . . . A 48 PHE HA . 34000 1 491 . 1 1 48 48 PHE HB2 H 1 3.582 0.020 . . . . . A 48 PHE HB2 . 34000 1 492 . 1 1 48 48 PHE HB3 H 1 3.365 0.020 . . . . . A 48 PHE HB3 . 34000 1 493 . 1 1 48 48 PHE HD1 H 1 7.300 0.020 . . . . . A 48 PHE HD1 . 34000 1 494 . 1 1 48 48 PHE HD2 H 1 7.300 0.020 . . . . . A 48 PHE HD2 . 34000 1 495 . 1 1 48 48 PHE HE1 H 1 7.437 0.020 . . . . . A 48 PHE HE1 . 34000 1 496 . 1 1 48 48 PHE HE2 H 1 7.437 0.020 . . . . . A 48 PHE HE2 . 34000 1 497 . 1 1 48 48 PHE HZ H 1 7.365 0.020 . . . . . A 48 PHE HZ . 34000 1 498 . 1 1 48 48 PHE CB C 13 37.957 0.200 . . . . . A 48 PHE CB . 34000 1 499 . 1 1 48 48 PHE CD1 C 13 130.642 0.200 . . . . . A 48 PHE CD1 . 34000 1 500 . 1 1 48 48 PHE CE1 C 13 131.629 0.200 . . . . . A 48 PHE CE1 . 34000 1 501 . 1 1 48 48 PHE CZ C 13 129.873 0.200 . . . . . A 48 PHE CZ . 34000 1 502 . 1 1 48 48 PHE N N 15 116.949 0.200 . . . . . A 48 PHE N . 34000 1 503 . 1 1 49 49 ARG H H 1 7.555 0.020 . . . . . A 49 ARG H . 34000 1 504 . 1 1 49 49 ARG HA H 1 4.486 0.020 . . . . . A 49 ARG HA . 34000 1 505 . 1 1 49 49 ARG HB2 H 1 2.048 0.020 . . . . . A 49 ARG HB2 . 34000 1 506 . 1 1 49 49 ARG HB3 H 1 1.934 0.020 . . . . . A 49 ARG HB3 . 34000 1 507 . 1 1 49 49 ARG HG2 H 1 1.840 0.020 . . . . . A 49 ARG HG2 . 34000 1 508 . 1 1 49 49 ARG HG3 H 1 1.760 0.020 . . . . . A 49 ARG HG3 . 34000 1 509 . 1 1 49 49 ARG HD2 H 1 3.361 0.020 . . . . . A 49 ARG HD2 . 34000 1 510 . 1 1 49 49 ARG HD3 H 1 3.361 0.020 . . . . . A 49 ARG HD3 . 34000 1 511 . 1 1 49 49 ARG HE H 1 7.401 0.020 . . . . . A 49 ARG HE . 34000 1 512 . 1 1 49 49 ARG CB C 13 32.462 0.200 . . . . . A 49 ARG CB . 34000 1 513 . 1 1 49 49 ARG CG C 13 26.953 0.200 . . . . . A 49 ARG CG . 34000 1 514 . 1 1 49 49 ARG CD C 13 44.012 0.200 . . . . . A 49 ARG CD . 34000 1 515 . 1 1 49 49 ARG N N 15 117.888 0.200 . . . . . A 49 ARG N . 34000 1 516 . 1 1 49 49 ARG NE N 15 85.784 0.200 . . . . . A 49 ARG NE . 34000 1 517 . 1 1 50 50 SER H H 1 7.775 0.020 . . . . . A 50 SER H . 34000 1 518 . 1 1 50 50 SER HA H 1 4.910 0.020 . . . . . A 50 SER HA . 34000 1 519 . 1 1 50 50 SER HB2 H 1 3.933 0.020 . . . . . A 50 SER HB2 . 34000 1 520 . 1 1 50 50 SER HB3 H 1 3.933 0.020 . . . . . A 50 SER HB3 . 34000 1 521 . 1 1 50 50 SER CB C 13 64.737 0.200 . . . . . A 50 SER CB . 34000 1 522 . 1 1 50 50 SER N N 15 110.763 0.200 . . . . . A 50 SER N . 34000 1 523 . 1 1 51 51 CYS H H 1 9.705 0.020 . . . . . A 51 CYS H . 34000 1 524 . 1 1 51 51 CYS HA H 1 5.323 0.020 . . . . . A 51 CYS HA . 34000 1 525 . 1 1 51 51 CYS HB2 H 1 3.798 0.020 . . . . . A 51 CYS HB2 . 34000 1 526 . 1 1 51 51 CYS HB3 H 1 3.444 0.020 . . . . . A 51 CYS HB3 . 34000 1 527 . 1 1 51 51 CYS CA C 13 53.343 0.200 . . . . . A 51 CYS CA . 34000 1 528 . 1 1 51 51 CYS CB C 13 47.521 0.200 . . . . . A 51 CYS CB . 34000 1 529 . 1 1 51 51 CYS N N 15 120.532 0.200 . . . . . A 51 CYS N . 34000 1 530 . 1 1 52 52 ASP H H 1 7.499 0.020 . . . . . A 52 ASP H . 34000 1 531 . 1 1 52 52 ASP HA H 1 4.613 0.020 . . . . . A 52 ASP HA . 34000 1 532 . 1 1 52 52 ASP HB2 H 1 3.177 0.020 . . . . . A 52 ASP HB2 . 34000 1 533 . 1 1 52 52 ASP HB3 H 1 2.598 0.020 . . . . . A 52 ASP HB3 . 34000 1 534 . 1 1 52 52 ASP CB C 13 42.834 0.200 . . . . . A 52 ASP CB . 34000 1 535 . 1 1 52 52 ASP N N 15 115.658 0.200 . . . . . A 52 ASP N . 34000 1 536 . 1 1 53 53 LEU H H 1 7.341 0.020 . . . . . A 53 LEU H . 34000 1 537 . 1 1 53 53 LEU HA H 1 4.202 0.020 . . . . . A 53 LEU HA . 34000 1 538 . 1 1 53 53 LEU HB2 H 1 2.167 0.020 . . . . . A 53 LEU HB2 . 34000 1 539 . 1 1 53 53 LEU HB3 H 1 1.342 0.020 . . . . . A 53 LEU HB3 . 34000 1 540 . 1 1 53 53 LEU HG H 1 2.285 0.020 . . . . . A 53 LEU HG . 34000 1 541 . 1 1 53 53 LEU HD11 H 1 1.076 0.020 . . . . . A 53 LEU HD11 . 34000 1 542 . 1 1 53 53 LEU HD12 H 1 1.076 0.020 . . . . . A 53 LEU HD12 . 34000 1 543 . 1 1 53 53 LEU HD13 H 1 1.076 0.020 . . . . . A 53 LEU HD13 . 34000 1 544 . 1 1 53 53 LEU HD21 H 1 1.298 0.020 . . . . . A 53 LEU HD21 . 34000 1 545 . 1 1 53 53 LEU HD22 H 1 1.298 0.020 . . . . . A 53 LEU HD22 . 34000 1 546 . 1 1 53 53 LEU HD23 H 1 1.298 0.020 . . . . . A 53 LEU HD23 . 34000 1 547 . 1 1 53 53 LEU CA C 13 58.206 0.200 . . . . . A 53 LEU CA . 34000 1 548 . 1 1 53 53 LEU CB C 13 42.748 0.200 . . . . . A 53 LEU CB . 34000 1 549 . 1 1 53 53 LEU CG C 13 27.070 0.200 . . . . . A 53 LEU CG . 34000 1 550 . 1 1 53 53 LEU CD1 C 13 22.976 0.200 . . . . . A 53 LEU CD1 . 34000 1 551 . 1 1 53 53 LEU CD2 C 13 27.232 0.200 . . . . . A 53 LEU CD2 . 34000 1 552 . 1 1 53 53 LEU N N 15 117.097 0.200 . . . . . A 53 LEU N . 34000 1 553 . 1 1 54 54 ALA H H 1 8.473 0.020 . . . . . A 54 ALA H . 34000 1 554 . 1 1 54 54 ALA HA H 1 4.065 0.020 . . . . . A 54 ALA HA . 34000 1 555 . 1 1 54 54 ALA HB1 H 1 1.502 0.020 . . . . . A 54 ALA HB1 . 34000 1 556 . 1 1 54 54 ALA HB2 H 1 1.502 0.020 . . . . . A 54 ALA HB2 . 34000 1 557 . 1 1 54 54 ALA HB3 H 1 1.502 0.020 . . . . . A 54 ALA HB3 . 34000 1 558 . 1 1 54 54 ALA CA C 13 55.249 0.200 . . . . . A 54 ALA CA . 34000 1 559 . 1 1 54 54 ALA CB C 13 17.641 0.200 . . . . . A 54 ALA CB . 34000 1 560 . 1 1 54 54 ALA N N 15 120.421 0.200 . . . . . A 54 ALA N . 34000 1 561 . 1 1 55 55 LEU H H 1 8.014 0.020 . . . . . A 55 LEU H . 34000 1 562 . 1 1 55 55 LEU HA H 1 4.418 0.020 . . . . . A 55 LEU HA . 34000 1 563 . 1 1 55 55 LEU HB2 H 1 2.101 0.020 . . . . . A 55 LEU HB2 . 34000 1 564 . 1 1 55 55 LEU HB3 H 1 2.046 0.020 . . . . . A 55 LEU HB3 . 34000 1 565 . 1 1 55 55 LEU HG H 1 1.950 0.020 . . . . . A 55 LEU HG . 34000 1 566 . 1 1 55 55 LEU HD11 H 1 1.160 0.020 . . . . . A 55 LEU HD11 . 34000 1 567 . 1 1 55 55 LEU HD12 H 1 1.160 0.020 . . . . . A 55 LEU HD12 . 34000 1 568 . 1 1 55 55 LEU HD13 H 1 1.160 0.020 . . . . . A 55 LEU HD13 . 34000 1 569 . 1 1 55 55 LEU HD21 H 1 1.160 0.020 . . . . . A 55 LEU HD21 . 34000 1 570 . 1 1 55 55 LEU HD22 H 1 1.160 0.020 . . . . . A 55 LEU HD22 . 34000 1 571 . 1 1 55 55 LEU HD23 H 1 1.160 0.020 . . . . . A 55 LEU HD23 . 34000 1 572 . 1 1 55 55 LEU CA C 13 57.968 0.200 . . . . . A 55 LEU CA . 34000 1 573 . 1 1 55 55 LEU CB C 13 41.604 0.200 . . . . . A 55 LEU CB . 34000 1 574 . 1 1 55 55 LEU CG C 13 28.122 0.200 . . . . . A 55 LEU CG . 34000 1 575 . 1 1 55 55 LEU CD1 C 13 25.209 0.200 . . . . . A 55 LEU CD1 . 34000 1 576 . 1 1 55 55 LEU N N 15 120.635 0.200 . . . . . A 55 LEU N . 34000 1 577 . 1 1 56 56 LEU H H 1 8.318 0.020 . . . . . A 56 LEU H . 34000 1 578 . 1 1 56 56 LEU HA H 1 3.991 0.020 . . . . . A 56 LEU HA . 34000 1 579 . 1 1 56 56 LEU HB2 H 1 2.095 0.020 . . . . . A 56 LEU HB2 . 34000 1 580 . 1 1 56 56 LEU HB3 H 1 1.641 0.020 . . . . . A 56 LEU HB3 . 34000 1 581 . 1 1 56 56 LEU HG H 1 1.841 0.020 . . . . . A 56 LEU HG . 34000 1 582 . 1 1 56 56 LEU HD11 H 1 0.812 0.020 . . . . . A 56 LEU HD11 . 34000 1 583 . 1 1 56 56 LEU HD12 H 1 0.812 0.020 . . . . . A 56 LEU HD12 . 34000 1 584 . 1 1 56 56 LEU HD13 H 1 0.812 0.020 . . . . . A 56 LEU HD13 . 34000 1 585 . 1 1 56 56 LEU HD21 H 1 0.872 0.020 . . . . . A 56 LEU HD21 . 34000 1 586 . 1 1 56 56 LEU HD22 H 1 0.872 0.020 . . . . . A 56 LEU HD22 . 34000 1 587 . 1 1 56 56 LEU HD23 H 1 0.872 0.020 . . . . . A 56 LEU HD23 . 34000 1 588 . 1 1 56 56 LEU CA C 13 60.219 0.200 . . . . . A 56 LEU CA . 34000 1 589 . 1 1 56 56 LEU CB C 13 42.163 0.200 . . . . . A 56 LEU CB . 34000 1 590 . 1 1 56 56 LEU CG C 13 27.552 0.200 . . . . . A 56 LEU CG . 34000 1 591 . 1 1 56 56 LEU CD1 C 13 26.461 0.200 . . . . . A 56 LEU CD1 . 34000 1 592 . 1 1 56 56 LEU CD2 C 13 27.807 0.200 . . . . . A 56 LEU CD2 . 34000 1 593 . 1 1 56 56 LEU N N 15 123.958 0.200 . . . . . A 56 LEU N . 34000 1 594 . 1 1 57 57 GLU H H 1 8.060 0.020 . . . . . A 57 GLU H . 34000 1 595 . 1 1 57 57 GLU HA H 1 4.463 0.020 . . . . . A 57 GLU HA . 34000 1 596 . 1 1 57 57 GLU HB2 H 1 2.253 0.020 . . . . . A 57 GLU HB2 . 34000 1 597 . 1 1 57 57 GLU HB3 H 1 2.070 0.020 . . . . . A 57 GLU HB3 . 34000 1 598 . 1 1 57 57 GLU HG2 H 1 2.618 0.020 . . . . . A 57 GLU HG2 . 34000 1 599 . 1 1 57 57 GLU HG3 H 1 2.386 0.020 . . . . . A 57 GLU HG3 . 34000 1 600 . 1 1 57 57 GLU CB C 13 29.481 0.200 . . . . . A 57 GLU CB . 34000 1 601 . 1 1 57 57 GLU CG C 13 36.522 0.200 . . . . . A 57 GLU CG . 34000 1 602 . 1 1 57 57 GLU N N 15 115.756 0.200 . . . . . A 57 GLU N . 34000 1 603 . 1 1 58 58 THR H H 1 8.051 0.020 . . . . . A 58 THR H . 34000 1 604 . 1 1 58 58 THR HA H 1 4.414 0.020 . . . . . A 58 THR HA . 34000 1 605 . 1 1 58 58 THR HB H 1 4.431 0.020 . . . . . A 58 THR HB . 34000 1 606 . 1 1 58 58 THR HG21 H 1 1.596 0.020 . . . . . A 58 THR HG21 . 34000 1 607 . 1 1 58 58 THR HG22 H 1 1.596 0.020 . . . . . A 58 THR HG22 . 34000 1 608 . 1 1 58 58 THR HG23 H 1 1.596 0.020 . . . . . A 58 THR HG23 . 34000 1 609 . 1 1 58 58 THR CA C 13 64.554 0.200 . . . . . A 58 THR CA . 34000 1 610 . 1 1 58 58 THR CB C 13 69.722 0.200 . . . . . A 58 THR CB . 34000 1 611 . 1 1 58 58 THR CG2 C 13 21.681 0.200 . . . . . A 58 THR CG2 . 34000 1 612 . 1 1 58 58 THR N N 15 110.639 0.200 . . . . . A 58 THR N . 34000 1 613 . 1 1 59 59 TYR H H 1 8.319 0.020 . . . . . A 59 TYR H . 34000 1 614 . 1 1 59 59 TYR HA H 1 4.371 0.020 . . . . . A 59 TYR HA . 34000 1 615 . 1 1 59 59 TYR HB2 H 1 3.977 0.020 . . . . . A 59 TYR HB2 . 34000 1 616 . 1 1 59 59 TYR HB3 H 1 3.125 0.020 . . . . . A 59 TYR HB3 . 34000 1 617 . 1 1 59 59 TYR HD1 H 1 7.359 0.020 . . . . . A 59 TYR HD1 . 34000 1 618 . 1 1 59 59 TYR HD2 H 1 7.359 0.020 . . . . . A 59 TYR HD2 . 34000 1 619 . 1 1 59 59 TYR HE1 H 1 6.627 0.020 . . . . . A 59 TYR HE1 . 34000 1 620 . 1 1 59 59 TYR HE2 H 1 6.627 0.020 . . . . . A 59 TYR HE2 . 34000 1 621 . 1 1 59 59 TYR CB C 13 36.834 0.200 . . . . . A 59 TYR CB . 34000 1 622 . 1 1 59 59 TYR CD1 C 13 134.263 0.200 . . . . . A 59 TYR CD1 . 34000 1 623 . 1 1 59 59 TYR CE1 C 13 117.147 0.200 . . . . . A 59 TYR CE1 . 34000 1 624 . 1 1 59 59 TYR N N 15 121.046 0.200 . . . . . A 59 TYR N . 34000 1 625 . 1 1 60 60 CYS H H 1 7.621 0.020 . . . . . A 60 CYS H . 34000 1 626 . 1 1 60 60 CYS HA H 1 5.328 0.020 . . . . . A 60 CYS HA . 34000 1 627 . 1 1 60 60 CYS HB2 H 1 3.241 0.020 . . . . . A 60 CYS HB2 . 34000 1 628 . 1 1 60 60 CYS HB3 H 1 2.909 0.020 . . . . . A 60 CYS HB3 . 34000 1 629 . 1 1 60 60 CYS CA C 13 53.289 0.200 . . . . . A 60 CYS CA . 34000 1 630 . 1 1 60 60 CYS CB C 13 34.413 0.200 . . . . . A 60 CYS CB . 34000 1 631 . 1 1 60 60 CYS N N 15 116.571 0.200 . . . . . A 60 CYS N . 34000 1 632 . 1 1 61 61 ALA H H 1 8.214 0.020 . . . . . A 61 ALA H . 34000 1 633 . 1 1 61 61 ALA HA H 1 4.282 0.020 . . . . . A 61 ALA HA . 34000 1 634 . 1 1 61 61 ALA HB1 H 1 1.214 0.020 . . . . . A 61 ALA HB1 . 34000 1 635 . 1 1 61 61 ALA HB2 H 1 1.214 0.020 . . . . . A 61 ALA HB2 . 34000 1 636 . 1 1 61 61 ALA HB3 H 1 1.214 0.020 . . . . . A 61 ALA HB3 . 34000 1 637 . 1 1 61 61 ALA CA C 13 53.070 0.200 . . . . . A 61 ALA CA . 34000 1 638 . 1 1 61 61 ALA CB C 13 18.750 0.200 . . . . . A 61 ALA CB . 34000 1 639 . 1 1 61 61 ALA N N 15 125.680 0.200 . . . . . A 61 ALA N . 34000 1 640 . 1 1 62 62 THR H H 1 7.799 0.020 . . . . . A 62 THR H . 34000 1 641 . 1 1 62 62 THR HA H 1 4.794 0.020 . . . . . A 62 THR HA . 34000 1 642 . 1 1 62 62 THR HB H 1 4.294 0.020 . . . . . A 62 THR HB . 34000 1 643 . 1 1 62 62 THR HG21 H 1 1.379 0.020 . . . . . A 62 THR HG21 . 34000 1 644 . 1 1 62 62 THR HG22 H 1 1.379 0.020 . . . . . A 62 THR HG22 . 34000 1 645 . 1 1 62 62 THR HG23 H 1 1.379 0.020 . . . . . A 62 THR HG23 . 34000 1 646 . 1 1 62 62 THR CB C 13 70.229 0.200 . . . . . A 62 THR CB . 34000 1 647 . 1 1 62 62 THR CG2 C 13 21.768 0.200 . . . . . A 62 THR CG2 . 34000 1 648 . 1 1 62 62 THR N N 15 112.629 0.200 . . . . . A 62 THR N . 34000 1 649 . 1 1 63 63 PRO HA H 1 4.550 0.020 . . . . . A 63 PRO HA . 34000 1 650 . 1 1 63 63 PRO HB2 H 1 2.420 0.020 . . . . . A 63 PRO HB2 . 34000 1 651 . 1 1 63 63 PRO HB3 H 1 2.036 0.020 . . . . . A 63 PRO HB3 . 34000 1 652 . 1 1 63 63 PRO HG2 H 1 2.161 0.020 . . . . . A 63 PRO HG2 . 34000 1 653 . 1 1 63 63 PRO HG3 H 1 2.075 0.020 . . . . . A 63 PRO HG3 . 34000 1 654 . 1 1 63 63 PRO HD2 H 1 3.908 0.020 . . . . . A 63 PRO HD2 . 34000 1 655 . 1 1 63 63 PRO HD3 H 1 3.844 0.020 . . . . . A 63 PRO HD3 . 34000 1 656 . 1 1 63 63 PRO CB C 13 32.340 0.200 . . . . . A 63 PRO CB . 34000 1 657 . 1 1 63 63 PRO CG C 13 27.497 0.200 . . . . . A 63 PRO CG . 34000 1 658 . 1 1 63 63 PRO CD C 13 51.216 0.200 . . . . . A 63 PRO CD . 34000 1 659 . 1 1 64 64 ALA H H 1 8.499 0.020 . . . . . A 64 ALA H . 34000 1 660 . 1 1 64 64 ALA HA H 1 4.356 0.020 . . . . . A 64 ALA HA . 34000 1 661 . 1 1 64 64 ALA HB1 H 1 1.490 0.020 . . . . . A 64 ALA HB1 . 34000 1 662 . 1 1 64 64 ALA HB2 H 1 1.490 0.020 . . . . . A 64 ALA HB2 . 34000 1 663 . 1 1 64 64 ALA HB3 H 1 1.490 0.020 . . . . . A 64 ALA HB3 . 34000 1 664 . 1 1 64 64 ALA CA C 13 52.517 0.200 . . . . . A 64 ALA CA . 34000 1 665 . 1 1 64 64 ALA CB C 13 19.434 0.200 . . . . . A 64 ALA CB . 34000 1 666 . 1 1 64 64 ALA N N 15 124.366 0.200 . . . . . A 64 ALA N . 34000 1 667 . 1 1 65 65 LYS H H 1 8.357 0.020 . . . . . A 65 LYS H . 34000 1 668 . 1 1 65 65 LYS HA H 1 4.468 0.020 . . . . . A 65 LYS HA . 34000 1 669 . 1 1 65 65 LYS HB2 H 1 1.963 0.020 . . . . . A 65 LYS HB2 . 34000 1 670 . 1 1 65 65 LYS HB3 H 1 1.869 0.020 . . . . . A 65 LYS HB3 . 34000 1 671 . 1 1 65 65 LYS HG2 H 1 1.530 0.020 . . . . . A 65 LYS HG2 . 34000 1 672 . 1 1 65 65 LYS HG3 H 1 1.530 0.020 . . . . . A 65 LYS HG3 . 34000 1 673 . 1 1 65 65 LYS HD2 H 1 1.804 0.020 . . . . . A 65 LYS HD2 . 34000 1 674 . 1 1 65 65 LYS HD3 H 1 1.804 0.020 . . . . . A 65 LYS HD3 . 34000 1 675 . 1 1 65 65 LYS HE2 H 1 3.099 0.020 . . . . . A 65 LYS HE2 . 34000 1 676 . 1 1 65 65 LYS HE3 H 1 3.099 0.020 . . . . . A 65 LYS HE3 . 34000 1 677 . 1 1 65 65 LYS CB C 13 33.495 0.200 . . . . . A 65 LYS CB . 34000 1 678 . 1 1 65 65 LYS CG C 13 24.684 0.200 . . . . . A 65 LYS CG . 34000 1 679 . 1 1 65 65 LYS CD C 13 29.236 0.200 . . . . . A 65 LYS CD . 34000 1 680 . 1 1 65 65 LYS CE C 13 42.181 0.200 . . . . . A 65 LYS CE . 34000 1 681 . 1 1 65 65 LYS N N 15 120.744 0.200 . . . . . A 65 LYS N . 34000 1 682 . 1 1 66 66 SER H H 1 8.450 0.020 . . . . . A 66 SER H . 34000 1 683 . 1 1 66 66 SER HA H 1 4.575 0.020 . . . . . A 66 SER HA . 34000 1 684 . 1 1 66 66 SER HB2 H 1 3.957 0.020 . . . . . A 66 SER HB2 . 34000 1 685 . 1 1 66 66 SER HB3 H 1 3.957 0.020 . . . . . A 66 SER HB3 . 34000 1 686 . 1 1 66 66 SER N N 15 118.103 0.200 . . . . . A 66 SER N . 34000 1 687 . 1 1 67 67 GLU H H 1 8.067 0.020 . . . . . A 67 GLU H . 34000 1 688 . 1 1 67 67 GLU HA H 1 4.288 0.020 . . . . . A 67 GLU HA . 34000 1 689 . 1 1 67 67 GLU HB2 H 1 2.180 0.020 . . . . . A 67 GLU HB2 . 34000 1 690 . 1 1 67 67 GLU HB3 H 1 1.997 0.020 . . . . . A 67 GLU HB3 . 34000 1 691 . 1 1 67 67 GLU HG2 H 1 2.341 0.020 . . . . . A 67 GLU HG2 . 34000 1 692 . 1 1 67 67 GLU HG3 H 1 2.341 0.020 . . . . . A 67 GLU HG3 . 34000 1 693 . 1 1 67 67 GLU CB C 13 31.002 0.200 . . . . . A 67 GLU CB . 34000 1 694 . 1 1 67 67 GLU N N 15 127.346 0.200 . . . . . A 67 GLU N . 34000 1 stop_ save_