data_25675 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25675 _Entry.Title ; SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF TDP-43 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-26 _Entry.Accession_date 2015-06-26 _Entry.Last_release_date 2016-01-11 _Entry.Original_release_date 2016-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 Miguel Mompean . . . . 25675 2 Valentina Romano . . . . 25675 3 David Pantoja-Uceda . . . . 25675 4 Cristiana Stuani . . . . 25675 5 Francisco Baralle . . . . 25675 6 Emanuele Buratti . . . . 25675 7 Douglas Laurents . V. . . 25675 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25675 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 25675 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25675 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 25675 '15N chemical shifts' 93 25675 '1H chemical shifts' 569 25675 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 . . 2017-03-22 2015-06-26 update BMRB 'update entry citation' 25675 1 . . 2016-01-11 2015-06-26 original author 'original release' 25675 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N4P 'BMRB Entry Tracking System' 25675 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25675 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26756435 _Citation.Full_citation . _Citation.Title ; The TDP-43 N-terminal domain structure at high resolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 283 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-4658 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1242 _Citation.Page_last 1260 _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 Miguel Mompean . . . . 25675 1 2 Valentina Romano . . . . 25675 1 3 David Pantoja-Uceda . . . . 25675 1 4 Cristiana Stuani . . . . 25675 1 5 Francisco Baralle . . . . 25675 1 6 Emanuele Buratti . . . . 25675 1 7 Douglas Laurents . V. . . 25675 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25675 _Assembly.ID 1 _Assembly.Name 'N-TERMINAL DOMAIN OF TDP-43' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 $entity A . yes native no no . . . 25675 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25675 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MAGSHHHHHHGSMSEYIRVT EDENDEPIEIPSEDDGTVLL STVTAQFPGACGLRYRNPVS QCMRGVRLVEGILHAPDAGW GNLVYVVNY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9854.009 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25675 1 2 2 ALA . 25675 1 3 3 GLY . 25675 1 4 4 SER . 25675 1 5 5 HIS . 25675 1 6 6 HIS . 25675 1 7 7 HIS . 25675 1 8 8 HIS . 25675 1 9 9 HIS . 25675 1 10 10 HIS . 25675 1 11 11 GLY . 25675 1 12 12 SER . 25675 1 13 13 MET . 25675 1 14 14 SER . 25675 1 15 15 GLU . 25675 1 16 16 TYR . 25675 1 17 17 ILE . 25675 1 18 18 ARG . 25675 1 19 19 VAL . 25675 1 20 20 THR . 25675 1 21 21 GLU . 25675 1 22 22 ASP . 25675 1 23 23 GLU . 25675 1 24 24 ASN . 25675 1 25 25 ASP . 25675 1 26 26 GLU . 25675 1 27 27 PRO . 25675 1 28 28 ILE . 25675 1 29 29 GLU . 25675 1 30 30 ILE . 25675 1 31 31 PRO . 25675 1 32 32 SER . 25675 1 33 33 GLU . 25675 1 34 34 ASP . 25675 1 35 35 ASP . 25675 1 36 36 GLY . 25675 1 37 37 THR . 25675 1 38 38 VAL . 25675 1 39 39 LEU . 25675 1 40 40 LEU . 25675 1 41 41 SER . 25675 1 42 42 THR . 25675 1 43 43 VAL . 25675 1 44 44 THR . 25675 1 45 45 ALA . 25675 1 46 46 GLN . 25675 1 47 47 PHE . 25675 1 48 48 PRO . 25675 1 49 49 GLY . 25675 1 50 50 ALA . 25675 1 51 51 CYS . 25675 1 52 52 GLY . 25675 1 53 53 LEU . 25675 1 54 54 ARG . 25675 1 55 55 TYR . 25675 1 56 56 ARG . 25675 1 57 57 ASN . 25675 1 58 58 PRO . 25675 1 59 59 VAL . 25675 1 60 60 SER . 25675 1 61 61 GLN . 25675 1 62 62 CYS . 25675 1 63 63 MET . 25675 1 64 64 ARG . 25675 1 65 65 GLY . 25675 1 66 66 VAL . 25675 1 67 67 ARG . 25675 1 68 68 LEU . 25675 1 69 69 VAL . 25675 1 70 70 GLU . 25675 1 71 71 GLY . 25675 1 72 72 ILE . 25675 1 73 73 LEU . 25675 1 74 74 HIS . 25675 1 75 75 ALA . 25675 1 76 76 PRO . 25675 1 77 77 ASP . 25675 1 78 78 ALA . 25675 1 79 79 GLY . 25675 1 80 80 TRP . 25675 1 81 81 GLY . 25675 1 82 82 ASN . 25675 1 83 83 LEU . 25675 1 84 84 VAL . 25675 1 85 85 TYR . 25675 1 86 86 VAL . 25675 1 87 87 VAL . 25675 1 88 88 ASN . 25675 1 89 89 TYR . 25675 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25675 1 . ALA 2 2 25675 1 . GLY 3 3 25675 1 . SER 4 4 25675 1 . HIS 5 5 25675 1 . HIS 6 6 25675 1 . HIS 7 7 25675 1 . HIS 8 8 25675 1 . HIS 9 9 25675 1 . HIS 10 10 25675 1 . GLY 11 11 25675 1 . SER 12 12 25675 1 . MET 13 13 25675 1 . SER 14 14 25675 1 . GLU 15 15 25675 1 . TYR 16 16 25675 1 . ILE 17 17 25675 1 . ARG 18 18 25675 1 . VAL 19 19 25675 1 . THR 20 20 25675 1 . GLU 21 21 25675 1 . ASP 22 22 25675 1 . GLU 23 23 25675 1 . ASN 24 24 25675 1 . ASP 25 25 25675 1 . GLU 26 26 25675 1 . PRO 27 27 25675 1 . ILE 28 28 25675 1 . GLU 29 29 25675 1 . ILE 30 30 25675 1 . PRO 31 31 25675 1 . SER 32 32 25675 1 . GLU 33 33 25675 1 . ASP 34 34 25675 1 . ASP 35 35 25675 1 . GLY 36 36 25675 1 . THR 37 37 25675 1 . VAL 38 38 25675 1 . LEU 39 39 25675 1 . LEU 40 40 25675 1 . SER 41 41 25675 1 . THR 42 42 25675 1 . VAL 43 43 25675 1 . THR 44 44 25675 1 . ALA 45 45 25675 1 . GLN 46 46 25675 1 . PHE 47 47 25675 1 . PRO 48 48 25675 1 . GLY 49 49 25675 1 . ALA 50 50 25675 1 . CYS 51 51 25675 1 . GLY 52 52 25675 1 . LEU 53 53 25675 1 . ARG 54 54 25675 1 . TYR 55 55 25675 1 . ARG 56 56 25675 1 . ASN 57 57 25675 1 . PRO 58 58 25675 1 . VAL 59 59 25675 1 . SER 60 60 25675 1 . GLN 61 61 25675 1 . CYS 62 62 25675 1 . MET 63 63 25675 1 . ARG 64 64 25675 1 . GLY 65 65 25675 1 . VAL 66 66 25675 1 . ARG 67 67 25675 1 . LEU 68 68 25675 1 . VAL 69 69 25675 1 . GLU 70 70 25675 1 . GLY 71 71 25675 1 . ILE 72 72 25675 1 . LEU 73 73 25675 1 . HIS 74 74 25675 1 . ALA 75 75 25675 1 . PRO 76 76 25675 1 . ASP 77 77 25675 1 . ALA 78 78 25675 1 . GLY 79 79 25675 1 . TRP 80 80 25675 1 . GLY 81 81 25675 1 . ASN 82 82 25675 1 . LEU 83 83 25675 1 . VAL 84 84 25675 1 . TYR 85 85 25675 1 . VAL 86 86 25675 1 . VAL 87 87 25675 1 . ASN 88 88 25675 1 . TYR 89 89 25675 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 25675 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25675 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 25675 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE30-6xHis . . . 25675 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25675 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NTD '[U-13C; U-15N]' . . 1 $entity . . 0.6 0.5 0.7 mM . . . . 25675 1 2 TCEP 'natural abundance' . . . . . . . . . mM . . . . 25675 1 3 CD3COOD/CD3COO-Na+ 'natural abundance' . . . . . . . . . mM . . . . 25675 1 4 NaN3 'natural abundance' . . . . . . . . . mM . . . . 25675 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 25675 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 25675 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 25675 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.8 . pH 25675 1 pressure 1 . atm 25675 1 temperature 298 . K 25675 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25675 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details 'TORSION ANGLE DYNAMICS AND REFINEMENT' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25675 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25675 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25675 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details 'TORSION ANGLE DYNAMICS AND REFINEMENT' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25675 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25675 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25675 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25675 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25675 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 25675 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25675 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25675 _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 0.00 internal indirect 0.251449530 . . . . . 25675 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 25675 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 25675 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25675 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25675 1 2 '2D 1H-13C HSQC aliphatic' . . . 25675 1 3 '2D 1H-13C HSQC aromatic' . . . 25675 1 4 '3D HNCO' . . . 25675 1 5 '3D HNCA' . . . 25675 1 6 '3D HN(CO)CA' . . . 25675 1 7 '3D CBCA(CO)NH' . . . 25675 1 8 '3D HBHA(CO)NH' . . . 25675 1 10 '3D HCCH-TOCSY' . . . 25675 1 11 '3D 1H-13C NOESY aliphatic' . . . 25675 1 12 '2D 1H-1H NOESY' . . . 25675 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 3 3 GLY HA2 H 1 3.899 0.020 . 2 . . . A 3 GLY HA2 . 25675 1 2 . 1 1 3 3 GLY HA3 H 1 3.899 0.020 . 2 . . . A 3 GLY HA3 . 25675 1 3 . 1 1 3 3 GLY C C 13 173.761 0.400 . 1 . . . A 3 GLY C . 25675 1 4 . 1 1 3 3 GLY CA C 13 45.130 0.400 . 1 . . . A 3 GLY CA . 25675 1 5 . 1 1 4 4 SER H H 1 8.185 0.020 . 1 . . . A 4 SER H . 25675 1 6 . 1 1 4 4 SER HA H 1 4.304 0.020 . 1 . . . A 4 SER HA . 25675 1 7 . 1 1 4 4 SER HB2 H 1 3.676 0.020 . 2 . . . A 4 SER HB2 . 25675 1 8 . 1 1 4 4 SER HB3 H 1 3.676 0.020 . 2 . . . A 4 SER HB3 . 25675 1 9 . 1 1 4 4 SER C C 13 174.600 0.400 . 1 . . . A 4 SER C . 25675 1 10 . 1 1 4 4 SER CA C 13 57.900 0.400 . 1 . . . A 4 SER CA . 25675 1 11 . 1 1 4 4 SER CB C 13 63.800 0.400 . 1 . . . A 4 SER CB . 25675 1 12 . 1 1 4 4 SER N N 15 115.011 0.400 . 1 . . . A 4 SER N . 25675 1 13 . 1 1 5 5 HIS H H 1 8.641 0.020 . 1 . . . A 5 HIS H . 25675 1 14 . 1 1 5 5 HIS HA H 1 4.602 0.020 . 1 . . . A 5 HIS HA . 25675 1 15 . 1 1 5 5 HIS HB2 H 1 2.986 0.020 . 2 . . . A 5 HIS HB2 . 25675 1 16 . 1 1 5 5 HIS HB3 H 1 3.129 0.020 . 2 . . . A 5 HIS HB3 . 25675 1 17 . 1 1 5 5 HIS HD2 H 1 7.196 0.020 . 1 . . . A 5 HIS HD2 . 25675 1 18 . 1 1 5 5 HIS HE1 H 1 8.534 0.020 . 1 . . . A 5 HIS HE1 . 25675 1 19 . 1 1 5 5 HIS C C 13 174.200 0.400 . 1 . . . A 5 HIS C . 25675 1 20 . 1 1 5 5 HIS CA C 13 55.268 0.400 . 1 . . . A 5 HIS CA . 25675 1 21 . 1 1 5 5 HIS CB C 13 29.000 0.400 . 1 . . . A 5 HIS CB . 25675 1 22 . 1 1 5 5 HIS CD2 C 13 119.955 0.400 . 1 . . . A 5 HIS CD2 . 25675 1 23 . 1 1 5 5 HIS CE1 C 13 136.549 0.400 . 1 . . . A 5 HIS CE1 . 25675 1 24 . 1 1 5 5 HIS N N 15 120.326 0.400 . 1 . . . A 5 HIS N . 25675 1 25 . 1 1 6 6 HIS H H 1 8.555 0.020 . 1 . . . A 6 HIS H . 25675 1 26 . 1 1 6 6 HIS HA H 1 4.627 0.020 . 1 . . . A 6 HIS HA . 25675 1 27 . 1 1 6 6 HIS HB2 H 1 2.982 0.020 . 2 . . . A 6 HIS HB2 . 25675 1 28 . 1 1 6 6 HIS HB3 H 1 3.090 0.020 . 2 . . . A 6 HIS HB3 . 25675 1 29 . 1 1 6 6 HIS HD2 H 1 7.196 0.020 . 1 . . . A 6 HIS HD2 . 25675 1 30 . 1 1 6 6 HIS HE1 H 1 8.534 0.020 . 1 . . . A 6 HIS HE1 . 25675 1 31 . 1 1 6 6 HIS C C 13 174.100 0.400 . 1 . . . A 6 HIS C . 25675 1 32 . 1 1 6 6 HIS CA C 13 55.268 0.400 . 1 . . . A 6 HIS CA . 25675 1 33 . 1 1 6 6 HIS CB C 13 29.300 0.400 . 1 . . . A 6 HIS CB . 25675 1 34 . 1 1 6 6 HIS CD2 C 13 119.955 0.400 . 1 . . . A 6 HIS CD2 . 25675 1 35 . 1 1 6 6 HIS CE1 C 13 136.549 0.400 . 1 . . . A 6 HIS CE1 . 25675 1 36 . 1 1 6 6 HIS N N 15 119.478 0.400 . 1 . . . A 6 HIS N . 25675 1 37 . 1 1 7 7 HIS H H 1 8.777 0.020 . 1 . . . A 7 HIS H . 25675 1 38 . 1 1 7 7 HIS HA H 1 4.581 0.020 . 1 . . . A 7 HIS HA . 25675 1 39 . 1 1 7 7 HIS HB2 H 1 2.996 0.020 . 2 . . . A 7 HIS HB2 . 25675 1 40 . 1 1 7 7 HIS HB3 H 1 3.102 0.020 . 2 . . . A 7 HIS HB3 . 25675 1 41 . 1 1 7 7 HIS HD2 H 1 7.196 0.020 . 1 . . . A 7 HIS HD2 . 25675 1 42 . 1 1 7 7 HIS HE1 H 1 8.534 0.020 . 1 . . . A 7 HIS HE1 . 25675 1 43 . 1 1 7 7 HIS C C 13 174.100 0.400 . 1 . . . A 7 HIS C . 25675 1 44 . 1 1 7 7 HIS CA C 13 55.268 0.400 . 1 . . . A 7 HIS CA . 25675 1 45 . 1 1 7 7 HIS CB C 13 29.300 0.400 . 1 . . . A 7 HIS CB . 25675 1 46 . 1 1 7 7 HIS CD2 C 13 119.955 0.400 . 1 . . . A 7 HIS CD2 . 25675 1 47 . 1 1 7 7 HIS CE1 C 13 136.549 0.400 . 1 . . . A 7 HIS CE1 . 25675 1 48 . 1 1 7 7 HIS N N 15 120.507 0.400 . 1 . . . A 7 HIS N . 25675 1 49 . 1 1 8 8 HIS H H 1 8.777 0.020 . 1 . . . A 8 HIS H . 25675 1 50 . 1 1 8 8 HIS HA H 1 4.600 0.020 . 1 . . . A 8 HIS HA . 25675 1 51 . 1 1 8 8 HIS HB2 H 1 3.036 0.020 . 2 . . . A 8 HIS HB2 . 25675 1 52 . 1 1 8 8 HIS HB3 H 1 3.103 0.020 . 2 . . . A 8 HIS HB3 . 25675 1 53 . 1 1 8 8 HIS HD2 H 1 7.196 0.020 . 1 . . . A 8 HIS HD2 . 25675 1 54 . 1 1 8 8 HIS HE1 H 1 8.534 0.020 . 1 . . . A 8 HIS HE1 . 25675 1 55 . 1 1 8 8 HIS C C 13 174.200 0.400 . 1 . . . A 8 HIS C . 25675 1 56 . 1 1 8 8 HIS CA C 13 55.268 0.400 . 1 . . . A 8 HIS CA . 25675 1 57 . 1 1 8 8 HIS CB C 13 29.300 0.400 . 1 . . . A 8 HIS CB . 25675 1 58 . 1 1 8 8 HIS CD2 C 13 119.955 0.400 . 1 . . . A 8 HIS CD2 . 25675 1 59 . 1 1 8 8 HIS CE1 C 13 136.549 0.400 . 1 . . . A 8 HIS CE1 . 25675 1 60 . 1 1 8 8 HIS N N 15 120.616 0.400 . 1 . . . A 8 HIS N . 25675 1 61 . 1 1 9 9 HIS H H 1 8.785 0.020 . 1 . . . A 9 HIS H . 25675 1 62 . 1 1 9 9 HIS HA H 1 4.580 0.020 . 1 . . . A 9 HIS HA . 25675 1 63 . 1 1 9 9 HIS HB2 H 1 3.082 0.020 . 2 . . . A 9 HIS HB2 . 25675 1 64 . 1 1 9 9 HIS HB3 H 1 3.082 0.020 . 2 . . . A 9 HIS HB3 . 25675 1 65 . 1 1 9 9 HIS HD2 H 1 7.196 0.020 . 1 . . . A 9 HIS HD2 . 25675 1 66 . 1 1 9 9 HIS HE1 H 1 8.534 0.020 . 1 . . . A 9 HIS HE1 . 25675 1 67 . 1 1 9 9 HIS C C 13 173.990 0.400 . 1 . . . A 9 HIS C . 25675 1 68 . 1 1 9 9 HIS CA C 13 55.000 0.400 . 1 . . . A 9 HIS CA . 25675 1 69 . 1 1 9 9 HIS CB C 13 29.400 0.400 . 1 . . . A 9 HIS CB . 25675 1 70 . 1 1 9 9 HIS CD2 C 13 119.955 0.400 . 1 . . . A 9 HIS CD2 . 25675 1 71 . 1 1 9 9 HIS CE1 C 13 136.549 0.400 . 1 . . . A 9 HIS CE1 . 25675 1 72 . 1 1 9 9 HIS N N 15 121.131 0.400 . 1 . . . A 9 HIS N . 25675 1 73 . 1 1 10 10 HIS H H 1 8.769 0.020 . 1 . . . A 10 HIS H . 25675 1 74 . 1 1 10 10 HIS HA H 1 4.594 0.020 . 1 . . . A 10 HIS HA . 25675 1 75 . 1 1 10 10 HIS HB2 H 1 3.122 0.020 . 2 . . . A 10 HIS HB2 . 25675 1 76 . 1 1 10 10 HIS HB3 H 1 3.122 0.020 . 2 . . . A 10 HIS HB3 . 25675 1 77 . 1 1 10 10 HIS HD2 H 1 7.196 0.020 . 1 . . . A 10 HIS HD2 . 25675 1 78 . 1 1 10 10 HIS HE1 H 1 8.534 0.020 . 1 . . . A 10 HIS HE1 . 25675 1 79 . 1 1 10 10 HIS C C 13 174.577 0.400 . 1 . . . A 10 HIS C . 25675 1 80 . 1 1 10 10 HIS CA C 13 55.268 0.400 . 1 . . . A 10 HIS CA . 25675 1 81 . 1 1 10 10 HIS CB C 13 28.900 0.400 . 1 . . . A 10 HIS CB . 25675 1 82 . 1 1 10 10 HIS CD2 C 13 119.955 0.400 . 1 . . . A 10 HIS CD2 . 25675 1 83 . 1 1 10 10 HIS CE1 C 13 136.549 0.400 . 1 . . . A 10 HIS CE1 . 25675 1 84 . 1 1 10 10 HIS N N 15 121.437 0.400 . 1 . . . A 10 HIS N . 25675 1 85 . 1 1 11 11 GLY H H 1 8.559 0.020 . 1 . . . A 11 GLY H . 25675 1 86 . 1 1 11 11 GLY HA2 H 1 3.857 0.020 . 2 . . . A 11 GLY HA2 . 25675 1 87 . 1 1 11 11 GLY HA3 H 1 3.971 0.020 . 2 . . . A 11 GLY HA3 . 25675 1 88 . 1 1 11 11 GLY C C 13 174.184 0.400 . 1 . . . A 11 GLY C . 25675 1 89 . 1 1 11 11 GLY CA C 13 45.340 0.400 . 1 . . . A 11 GLY CA . 25675 1 90 . 1 1 11 11 GLY N N 15 111.579 0.400 . 1 . . . A 11 GLY N . 25675 1 91 . 1 1 12 12 SER H H 1 8.353 0.020 . 1 . . . A 12 SER H . 25675 1 92 . 1 1 12 12 SER HA H 1 4.407 0.020 . 1 . . . A 12 SER HA . 25675 1 93 . 1 1 12 12 SER HB2 H 1 3.807 0.020 . 2 . . . A 12 SER HB2 . 25675 1 94 . 1 1 12 12 SER HB3 H 1 3.843 0.020 . 2 . . . A 12 SER HB3 . 25675 1 95 . 1 1 12 12 SER C C 13 174.817 0.400 . 1 . . . A 12 SER C . 25675 1 96 . 1 1 12 12 SER CA C 13 58.529 0.400 . 1 . . . A 12 SER CA . 25675 1 97 . 1 1 12 12 SER CB C 13 63.780 0.400 . 1 . . . A 12 SER CB . 25675 1 98 . 1 1 12 12 SER N N 15 115.987 0.400 . 1 . . . A 12 SER N . 25675 1 99 . 1 1 13 13 MET H H 1 8.432 0.020 . 1 . . . A 13 MET H . 25675 1 100 . 1 1 13 13 MET HA H 1 4.521 0.020 . 1 . . . A 13 MET HA . 25675 1 101 . 1 1 13 13 MET HB2 H 1 1.937 0.020 . 2 . . . A 13 MET HB2 . 25675 1 102 . 1 1 13 13 MET HB3 H 1 2.065 0.020 . 2 . . . A 13 MET HB3 . 25675 1 103 . 1 1 13 13 MET HG2 H 1 2.546 0.020 . 2 . . . A 13 MET HG2 . 25675 1 104 . 1 1 13 13 MET HG3 H 1 2.546 0.020 . 2 . . . A 13 MET HG3 . 25675 1 105 . 1 1 13 13 MET C C 13 176.003 0.400 . 1 . . . A 13 MET C . 25675 1 106 . 1 1 13 13 MET CA C 13 55.503 0.400 . 1 . . . A 13 MET CA . 25675 1 107 . 1 1 13 13 MET CB C 13 32.843 0.400 . 1 . . . A 13 MET CB . 25675 1 108 . 1 1 13 13 MET CG C 13 30.840 0.400 . 1 . . . A 13 MET CG . 25675 1 109 . 1 1 13 13 MET N N 15 121.805 0.400 . 1 . . . A 13 MET N . 25675 1 110 . 1 1 14 14 SER H H 1 8.205 0.020 . 1 . . . A 14 SER H . 25675 1 111 . 1 1 14 14 SER HA H 1 4.265 0.020 . 1 . . . A 14 SER HA . 25675 1 112 . 1 1 14 14 SER HB2 H 1 3.752 0.020 . 2 . . . A 14 SER HB2 . 25675 1 113 . 1 1 14 14 SER HB3 H 1 3.752 0.020 . 2 . . . A 14 SER HB3 . 25675 1 114 . 1 1 14 14 SER C C 13 174.055 0.400 . 1 . . . A 14 SER C . 25675 1 115 . 1 1 14 14 SER N N 15 116.515 0.400 . 1 . . . A 14 SER N . 25675 1 116 . 1 1 15 15 GLU H H 1 8.292 0.020 . 1 . . . A 15 GLU H . 25675 1 117 . 1 1 15 15 GLU HA H 1 4.235 0.020 . 1 . . . A 15 GLU HA . 25675 1 118 . 1 1 15 15 GLU HB2 H 1 1.764 0.020 . 2 . . . A 15 GLU HB2 . 25675 1 119 . 1 1 15 15 GLU HB3 H 1 1.959 0.020 . 2 . . . A 15 GLU HB3 . 25675 1 120 . 1 1 15 15 GLU HG2 H 1 2.136 0.020 . 2 . . . A 15 GLU HG2 . 25675 1 121 . 1 1 15 15 GLU HG3 H 1 2.244 0.020 . 2 . . . A 15 GLU HG3 . 25675 1 122 . 1 1 15 15 GLU C C 13 174.900 0.400 . 1 . . . A 15 GLU C . 25675 1 123 . 1 1 15 15 GLU CA C 13 55.628 0.400 . 1 . . . A 15 GLU CA . 25675 1 124 . 1 1 15 15 GLU CB C 13 30.225 0.400 . 1 . . . A 15 GLU CB . 25675 1 125 . 1 1 15 15 GLU CG C 13 34.480 0.400 . 1 . . . A 15 GLU CG . 25675 1 126 . 1 1 15 15 GLU N N 15 122.455 0.400 . 1 . . . A 15 GLU N . 25675 1 127 . 1 1 16 16 TYR H H 1 7.955 0.020 . 1 . . . A 16 TYR H . 25675 1 128 . 1 1 16 16 TYR HA H 1 5.061 0.020 . 1 . . . A 16 TYR HA . 25675 1 129 . 1 1 16 16 TYR HB2 H 1 2.588 0.020 . 2 . . . A 16 TYR HB2 . 25675 1 130 . 1 1 16 16 TYR HB3 H 1 2.660 0.020 . 2 . . . A 16 TYR HB3 . 25675 1 131 . 1 1 16 16 TYR HD1 H 1 6.616 0.020 . 3 . . . A 16 TYR HD1 . 25675 1 132 . 1 1 16 16 TYR HD2 H 1 6.616 0.020 . 3 . . . A 16 TYR HD2 . 25675 1 133 . 1 1 16 16 TYR HE1 H 1 6.464 0.020 . 3 . . . A 16 TYR HE1 . 25675 1 134 . 1 1 16 16 TYR HE2 H 1 6.464 0.020 . 3 . . . A 16 TYR HE2 . 25675 1 135 . 1 1 16 16 TYR C C 13 174.935 0.400 . 1 . . . A 16 TYR C . 25675 1 136 . 1 1 16 16 TYR CA C 13 56.712 0.400 . 1 . . . A 16 TYR CA . 25675 1 137 . 1 1 16 16 TYR CB C 13 41.507 0.400 . 1 . . . A 16 TYR CB . 25675 1 138 . 1 1 16 16 TYR CD1 C 13 132.977 0.400 . 3 . . . A 16 TYR CD1 . 25675 1 139 . 1 1 16 16 TYR CE1 C 13 117.973 0.400 . 3 . . . A 16 TYR CE1 . 25675 1 140 . 1 1 16 16 TYR N N 15 118.896 0.400 . 1 . . . A 16 TYR N . 25675 1 141 . 1 1 17 17 ILE H H 1 8.890 0.020 . 1 . . . A 17 ILE H . 25675 1 142 . 1 1 17 17 ILE HA H 1 4.549 0.020 . 1 . . . A 17 ILE HA . 25675 1 143 . 1 1 17 17 ILE HB H 1 1.381 0.020 . 1 . . . A 17 ILE HB . 25675 1 144 . 1 1 17 17 ILE HG12 H 1 0.087 0.020 . 2 . . . A 17 ILE HG12 . 25675 1 145 . 1 1 17 17 ILE HG13 H 1 0.874 0.020 . 2 . . . A 17 ILE HG13 . 25675 1 146 . 1 1 17 17 ILE HG21 H 1 -0.230 0.020 . 1 . . . A 17 ILE HG21 . 25675 1 147 . 1 1 17 17 ILE HG22 H 1 -0.230 0.020 . 1 . . . A 17 ILE HG22 . 25675 1 148 . 1 1 17 17 ILE HG23 H 1 -0.230 0.020 . 1 . . . A 17 ILE HG23 . 25675 1 149 . 1 1 17 17 ILE HD11 H 1 -0.510 0.020 . 1 . . . A 17 ILE HD11 . 25675 1 150 . 1 1 17 17 ILE HD12 H 1 -0.510 0.020 . 1 . . . A 17 ILE HD12 . 25675 1 151 . 1 1 17 17 ILE HD13 H 1 -0.510 0.020 . 1 . . . A 17 ILE HD13 . 25675 1 152 . 1 1 17 17 ILE C C 13 174.747 0.400 . 1 . . . A 17 ILE C . 25675 1 153 . 1 1 17 17 ILE CA C 13 59.442 0.400 . 1 . . . A 17 ILE CA . 25675 1 154 . 1 1 17 17 ILE CB C 13 40.859 0.400 . 1 . . . A 17 ILE CB . 25675 1 155 . 1 1 17 17 ILE CG1 C 13 25.948 0.400 . 1 . . . A 17 ILE CG1 . 25675 1 156 . 1 1 17 17 ILE CG2 C 13 17.134 0.400 . 1 . . . A 17 ILE CG2 . 25675 1 157 . 1 1 17 17 ILE CD1 C 13 14.237 0.400 . 1 . . . A 17 ILE CD1 . 25675 1 158 . 1 1 17 17 ILE N N 15 115.711 0.400 . 1 . . . A 17 ILE N . 25675 1 159 . 1 1 18 18 ARG H H 1 8.636 0.020 . 1 . . . A 18 ARG H . 25675 1 160 . 1 1 18 18 ARG HA H 1 4.880 0.020 . 1 . . . A 18 ARG HA . 25675 1 161 . 1 1 18 18 ARG HB2 H 1 1.903 0.020 . 2 . . . A 18 ARG HB2 . 25675 1 162 . 1 1 18 18 ARG HB3 H 1 2.212 0.020 . 2 . . . A 18 ARG HB3 . 25675 1 163 . 1 1 18 18 ARG HG2 H 1 1.374 0.020 . 2 . . . A 18 ARG HG2 . 25675 1 164 . 1 1 18 18 ARG HG3 H 1 1.464 0.020 . 2 . . . A 18 ARG HG3 . 25675 1 165 . 1 1 18 18 ARG HD2 H 1 3.087 0.020 . 2 . . . A 18 ARG HD2 . 25675 1 166 . 1 1 18 18 ARG HD3 H 1 3.087 0.020 . 2 . . . A 18 ARG HD3 . 25675 1 167 . 1 1 18 18 ARG HE H 1 7.181 0.020 . 1 . . . A 18 ARG HE . 25675 1 168 . 1 1 18 18 ARG C C 13 174.988 0.400 . 1 . . . A 18 ARG C . 25675 1 169 . 1 1 18 18 ARG CA C 13 55.844 0.400 . 1 . . . A 18 ARG CA . 25675 1 170 . 1 1 18 18 ARG CB C 13 31.730 0.400 . 1 . . . A 18 ARG CB . 25675 1 171 . 1 1 18 18 ARG CG C 13 27.535 0.400 . 1 . . . A 18 ARG CG . 25675 1 172 . 1 1 18 18 ARG CD C 13 44.126 0.400 . 1 . . . A 18 ARG CD . 25675 1 173 . 1 1 18 18 ARG N N 15 123.175 0.400 . 1 . . . A 18 ARG N . 25675 1 174 . 1 1 18 18 ARG NE N 15 84.395 0.400 . 1 . . . A 18 ARG NE . 25675 1 175 . 1 1 19 19 VAL H H 1 8.916 0.020 . 1 . . . A 19 VAL H . 25675 1 176 . 1 1 19 19 VAL HA H 1 5.464 0.020 . 1 . . . A 19 VAL HA . 25675 1 177 . 1 1 19 19 VAL HB H 1 1.753 0.020 . 1 . . . A 19 VAL HB . 25675 1 178 . 1 1 19 19 VAL HG11 H 1 0.557 0.020 . 2 . . . A 19 VAL HG11 . 25675 1 179 . 1 1 19 19 VAL HG12 H 1 0.557 0.020 . 2 . . . A 19 VAL HG12 . 25675 1 180 . 1 1 19 19 VAL HG13 H 1 0.557 0.020 . 2 . . . A 19 VAL HG13 . 25675 1 181 . 1 1 19 19 VAL HG21 H 1 0.761 0.020 . 2 . . . A 19 VAL HG21 . 25675 1 182 . 1 1 19 19 VAL HG22 H 1 0.761 0.020 . 2 . . . A 19 VAL HG22 . 25675 1 183 . 1 1 19 19 VAL HG23 H 1 0.761 0.020 . 2 . . . A 19 VAL HG23 . 25675 1 184 . 1 1 19 19 VAL C C 13 173.984 0.400 . 1 . . . A 19 VAL C . 25675 1 185 . 1 1 19 19 VAL CA C 13 59.894 0.400 . 1 . . . A 19 VAL CA . 25675 1 186 . 1 1 19 19 VAL CB C 13 35.709 0.400 . 1 . . . A 19 VAL CB . 25675 1 187 . 1 1 19 19 VAL CG1 C 13 24.180 0.400 . 2 . . . A 19 VAL CG1 . 25675 1 188 . 1 1 19 19 VAL CG2 C 13 22.815 0.400 . 2 . . . A 19 VAL CG2 . 25675 1 189 . 1 1 19 19 VAL N N 15 122.554 0.400 . 1 . . . A 19 VAL N . 25675 1 190 . 1 1 20 20 THR H H 1 8.794 0.020 . 1 . . . A 20 THR H . 25675 1 191 . 1 1 20 20 THR HA H 1 5.081 0.020 . 1 . . . A 20 THR HA . 25675 1 192 . 1 1 20 20 THR HB H 1 3.612 0.020 . 1 . . . A 20 THR HB . 25675 1 193 . 1 1 20 20 THR HG21 H 1 0.910 0.020 . 1 . . . A 20 THR HG21 . 25675 1 194 . 1 1 20 20 THR HG22 H 1 0.910 0.020 . 1 . . . A 20 THR HG22 . 25675 1 195 . 1 1 20 20 THR HG23 H 1 0.910 0.020 . 1 . . . A 20 THR HG23 . 25675 1 196 . 1 1 20 20 THR C C 13 172.312 0.400 . 1 . . . A 20 THR C . 25675 1 197 . 1 1 20 20 THR CA C 13 57.731 0.400 . 1 . . . A 20 THR CA . 25675 1 198 . 1 1 20 20 THR CB C 13 71.835 0.400 . 1 . . . A 20 THR CB . 25675 1 199 . 1 1 20 20 THR CG2 C 13 20.737 0.400 . 1 . . . A 20 THR CG2 . 25675 1 200 . 1 1 20 20 THR N N 15 118.638 0.400 . 1 . . . A 20 THR N . 25675 1 201 . 1 1 21 21 GLU H H 1 8.792 0.020 . 1 . . . A 21 GLU H . 25675 1 202 . 1 1 21 21 GLU HA H 1 4.174 0.020 . 1 . . . A 21 GLU HA . 25675 1 203 . 1 1 21 21 GLU HB2 H 1 2.061 0.020 . 2 . . . A 21 GLU HB2 . 25675 1 204 . 1 1 21 21 GLU HB3 H 1 2.328 0.020 . 2 . . . A 21 GLU HB3 . 25675 1 205 . 1 1 21 21 GLU HG2 H 1 2.532 0.020 . 2 . . . A 21 GLU HG2 . 25675 1 206 . 1 1 21 21 GLU HG3 H 1 2.637 0.020 . 2 . . . A 21 GLU HG3 . 25675 1 207 . 1 1 21 21 GLU C C 13 175.258 0.400 . 1 . . . A 21 GLU C . 25675 1 208 . 1 1 21 21 GLU CA C 13 56.900 0.400 . 1 . . . A 21 GLU CA . 25675 1 209 . 1 1 21 21 GLU CB C 13 28.952 0.400 . 1 . . . A 21 GLU CB . 25675 1 210 . 1 1 21 21 GLU CG C 13 33.515 0.400 . 1 . . . A 21 GLU CG . 25675 1 211 . 1 1 21 21 GLU N N 15 124.307 0.400 . 1 . . . A 21 GLU N . 25675 1 212 . 1 1 22 22 ASP H H 1 7.932 0.020 . 1 . . . A 22 ASP H . 25675 1 213 . 1 1 22 22 ASP HA H 1 4.604 0.020 . 1 . . . A 22 ASP HA . 25675 1 214 . 1 1 22 22 ASP HB2 H 1 2.717 0.020 . 2 . . . A 22 ASP HB2 . 25675 1 215 . 1 1 22 22 ASP HB3 H 1 2.717 0.020 . 2 . . . A 22 ASP HB3 . 25675 1 216 . 1 1 22 22 ASP C C 13 175.387 0.400 . 1 . . . A 22 ASP C . 25675 1 217 . 1 1 22 22 ASP CA C 13 53.465 0.400 . 1 . . . A 22 ASP CA . 25675 1 218 . 1 1 22 22 ASP CB C 13 42.875 0.400 . 1 . . . A 22 ASP CB . 25675 1 219 . 1 1 22 22 ASP N N 15 117.282 0.400 . 1 . . . A 22 ASP N . 25675 1 220 . 1 1 23 23 GLU H H 1 9.232 0.020 . 1 . . . A 23 GLU H . 25675 1 221 . 1 1 23 23 GLU HA H 1 3.938 0.020 . 1 . . . A 23 GLU HA . 25675 1 222 . 1 1 23 23 GLU HB2 H 1 1.970 0.020 . 2 . . . A 23 GLU HB2 . 25675 1 223 . 1 1 23 23 GLU HB3 H 1 1.970 0.020 . 2 . . . A 23 GLU HB3 . 25675 1 224 . 1 1 23 23 GLU HG2 H 1 2.262 0.020 . 2 . . . A 23 GLU HG2 . 25675 1 225 . 1 1 23 23 GLU HG3 H 1 2.262 0.020 . 2 . . . A 23 GLU HG3 . 25675 1 226 . 1 1 23 23 GLU C C 13 176.062 0.400 . 1 . . . A 23 GLU C . 25675 1 227 . 1 1 23 23 GLU CA C 13 59.442 0.400 . 1 . . . A 23 GLU CA . 25675 1 228 . 1 1 23 23 GLU CB C 13 29.436 0.400 . 1 . . . A 23 GLU CB . 25675 1 229 . 1 1 23 23 GLU CG C 13 36.107 0.400 . 1 . . . A 23 GLU CG . 25675 1 230 . 1 1 23 23 GLU N N 15 123.785 0.400 . 1 . . . A 23 GLU N . 25675 1 231 . 1 1 24 24 ASN H H 1 8.694 0.020 . 1 . . . A 24 ASN H . 25675 1 232 . 1 1 24 24 ASN HA H 1 4.688 0.020 . 1 . . . A 24 ASN HA . 25675 1 233 . 1 1 24 24 ASN HB2 H 1 2.679 0.020 . 2 . . . A 24 ASN HB2 . 25675 1 234 . 1 1 24 24 ASN HB3 H 1 2.852 0.020 . 2 . . . A 24 ASN HB3 . 25675 1 235 . 1 1 24 24 ASN HD21 H 1 7.705 0.020 . 2 . . . A 24 ASN HD21 . 25675 1 236 . 1 1 24 24 ASN HD22 H 1 6.889 0.020 . 2 . . . A 24 ASN HD22 . 25675 1 237 . 1 1 24 24 ASN C C 13 174.636 0.400 . 1 . . . A 24 ASN C . 25675 1 238 . 1 1 24 24 ASN CA C 13 53.898 0.400 . 1 . . . A 24 ASN CA . 25675 1 239 . 1 1 24 24 ASN CB C 13 38.903 0.400 . 1 . . . A 24 ASN CB . 25675 1 240 . 1 1 24 24 ASN N N 15 115.807 0.400 . 1 . . . A 24 ASN N . 25675 1 241 . 1 1 24 24 ASN ND2 N 15 114.038 0.400 . 1 . . . A 24 ASN ND2 . 25675 1 242 . 1 1 25 25 ASP H H 1 7.987 0.020 . 1 . . . A 25 ASP H . 25675 1 243 . 1 1 25 25 ASP HA H 1 4.955 0.020 . 1 . . . A 25 ASP HA . 25675 1 244 . 1 1 25 25 ASP HB2 H 1 2.787 0.020 . 2 . . . A 25 ASP HB2 . 25675 1 245 . 1 1 25 25 ASP HB3 H 1 2.940 0.020 . 2 . . . A 25 ASP HB3 . 25675 1 246 . 1 1 25 25 ASP C C 13 175.269 0.400 . 1 . . . A 25 ASP C . 25675 1 247 . 1 1 25 25 ASP CA C 13 52.190 0.400 . 1 . . . A 25 ASP CA . 25675 1 248 . 1 1 25 25 ASP CB C 13 40.792 0.400 . 1 . . . A 25 ASP CB . 25675 1 249 . 1 1 25 25 ASP N N 15 119.629 0.400 . 1 . . . A 25 ASP N . 25675 1 250 . 1 1 26 26 GLU H H 1 8.718 0.020 . 1 . . . A 26 GLU H . 25675 1 251 . 1 1 26 26 GLU HA H 1 4.522 0.020 . 1 . . . A 26 GLU HA . 25675 1 252 . 1 1 26 26 GLU HB2 H 1 2.047 0.020 . 2 . . . A 26 GLU HB2 . 25675 1 253 . 1 1 26 26 GLU HB3 H 1 2.047 0.020 . 2 . . . A 26 GLU HB3 . 25675 1 254 . 1 1 26 26 GLU HG2 H 1 2.541 0.020 . 2 . . . A 26 GLU HG2 . 25675 1 255 . 1 1 26 26 GLU HG3 H 1 2.541 0.020 . 2 . . . A 26 GLU HG3 . 25675 1 256 . 1 1 26 26 GLU CA C 13 54.120 0.400 . 1 . . . A 26 GLU CA . 25675 1 257 . 1 1 26 26 GLU CB C 13 28.899 0.400 . 1 . . . A 26 GLU CB . 25675 1 258 . 1 1 26 26 GLU CG C 13 33.519 0.400 . 1 . . . A 26 GLU CG . 25675 1 259 . 1 1 26 26 GLU N N 15 123.692 0.400 . 1 . . . A 26 GLU N . 25675 1 260 . 1 1 27 27 PRO HA H 1 4.729 0.020 . 1 . . . A 27 PRO HA . 25675 1 261 . 1 1 27 27 PRO HB2 H 1 1.859 0.020 . 2 . . . A 27 PRO HB2 . 25675 1 262 . 1 1 27 27 PRO HB3 H 1 1.958 0.020 . 2 . . . A 27 PRO HB3 . 25675 1 263 . 1 1 27 27 PRO HG2 H 1 1.832 0.020 . 2 . . . A 27 PRO HG2 . 25675 1 264 . 1 1 27 27 PRO HG3 H 1 1.962 0.020 . 2 . . . A 27 PRO HG3 . 25675 1 265 . 1 1 27 27 PRO HD2 H 1 3.685 0.020 . 2 . . . A 27 PRO HD2 . 25675 1 266 . 1 1 27 27 PRO HD3 H 1 3.986 0.020 . 2 . . . A 27 PRO HD3 . 25675 1 267 . 1 1 27 27 PRO C C 13 176.126 0.400 . 1 . . . A 27 PRO C . 25675 1 268 . 1 1 27 27 PRO CA C 13 62.351 0.400 . 1 . . . A 27 PRO CA . 25675 1 269 . 1 1 27 27 PRO CB C 13 33.519 0.400 . 1 . . . A 27 PRO CB . 25675 1 270 . 1 1 27 27 PRO CG C 13 27.333 0.400 . 1 . . . A 27 PRO CG . 25675 1 271 . 1 1 27 27 PRO CD C 13 50.935 0.400 . 1 . . . A 27 PRO CD . 25675 1 272 . 1 1 28 28 ILE H H 1 9.244 0.020 . 1 . . . A 28 ILE H . 25675 1 273 . 1 1 28 28 ILE HA H 1 4.474 0.020 . 1 . . . A 28 ILE HA . 25675 1 274 . 1 1 28 28 ILE HB H 1 1.928 0.020 . 1 . . . A 28 ILE HB . 25675 1 275 . 1 1 28 28 ILE HG12 H 1 1.363 0.020 . 2 . . . A 28 ILE HG12 . 25675 1 276 . 1 1 28 28 ILE HG13 H 1 1.474 0.020 . 2 . . . A 28 ILE HG13 . 25675 1 277 . 1 1 28 28 ILE HG21 H 1 0.897 0.020 . 1 . . . A 28 ILE HG21 . 25675 1 278 . 1 1 28 28 ILE HG22 H 1 0.897 0.020 . 1 . . . A 28 ILE HG22 . 25675 1 279 . 1 1 28 28 ILE HG23 H 1 0.897 0.020 . 1 . . . A 28 ILE HG23 . 25675 1 280 . 1 1 28 28 ILE HD11 H 1 0.725 0.020 . 1 . . . A 28 ILE HD11 . 25675 1 281 . 1 1 28 28 ILE HD12 H 1 0.725 0.020 . 1 . . . A 28 ILE HD12 . 25675 1 282 . 1 1 28 28 ILE HD13 H 1 0.725 0.020 . 1 . . . A 28 ILE HD13 . 25675 1 283 . 1 1 28 28 ILE C C 13 175.181 0.400 . 1 . . . A 28 ILE C . 25675 1 284 . 1 1 28 28 ILE CA C 13 59.448 0.400 . 1 . . . A 28 ILE CA . 25675 1 285 . 1 1 28 28 ILE CB C 13 40.626 0.400 . 1 . . . A 28 ILE CB . 25675 1 286 . 1 1 28 28 ILE CG1 C 13 26.978 0.400 . 1 . . . A 28 ILE CG1 . 25675 1 287 . 1 1 28 28 ILE CG2 C 13 17.907 0.400 . 1 . . . A 28 ILE CG2 . 25675 1 288 . 1 1 28 28 ILE CD1 C 13 13.749 0.400 . 1 . . . A 28 ILE CD1 . 25675 1 289 . 1 1 28 28 ILE N N 15 118.646 0.400 . 1 . . . A 28 ILE N . 25675 1 290 . 1 1 29 29 GLU H H 1 8.220 0.020 . 1 . . . A 29 GLU H . 25675 1 291 . 1 1 29 29 GLU HA H 1 4.905 0.020 . 1 . . . A 29 GLU HA . 25675 1 292 . 1 1 29 29 GLU HB2 H 1 1.434 0.020 . 2 . . . A 29 GLU HB2 . 25675 1 293 . 1 1 29 29 GLU HB3 H 1 1.710 0.020 . 2 . . . A 29 GLU HB3 . 25675 1 294 . 1 1 29 29 GLU HG2 H 1 1.953 0.020 . 2 . . . A 29 GLU HG2 . 25675 1 295 . 1 1 29 29 GLU HG3 H 1 2.300 0.020 . 2 . . . A 29 GLU HG3 . 25675 1 296 . 1 1 29 29 GLU C C 13 175.739 0.400 . 1 . . . A 29 GLU C . 25675 1 297 . 1 1 29 29 GLU CA C 13 55.288 0.400 . 1 . . . A 29 GLU CA . 25675 1 298 . 1 1 29 29 GLU CB C 13 29.040 0.400 . 1 . . . A 29 GLU CB . 25675 1 299 . 1 1 29 29 GLU CG C 13 33.814 0.400 . 1 . . . A 29 GLU CG . 25675 1 300 . 1 1 29 29 GLU N N 15 120.763 0.400 . 1 . . . A 29 GLU N . 25675 1 301 . 1 1 30 30 ILE H H 1 9.307 0.020 . 1 . . . A 30 ILE H . 25675 1 302 . 1 1 30 30 ILE HA H 1 4.746 0.020 . 1 . . . A 30 ILE HA . 25675 1 303 . 1 1 30 30 ILE HB H 1 1.808 0.020 . 1 . . . A 30 ILE HB . 25675 1 304 . 1 1 30 30 ILE HG12 H 1 1.240 0.020 . 2 . . . A 30 ILE HG12 . 25675 1 305 . 1 1 30 30 ILE HG13 H 1 1.394 0.020 . 2 . . . A 30 ILE HG13 . 25675 1 306 . 1 1 30 30 ILE HG21 H 1 0.717 0.020 . 1 . . . A 30 ILE HG21 . 25675 1 307 . 1 1 30 30 ILE HG22 H 1 0.717 0.020 . 1 . . . A 30 ILE HG22 . 25675 1 308 . 1 1 30 30 ILE HG23 H 1 0.717 0.020 . 1 . . . A 30 ILE HG23 . 25675 1 309 . 1 1 30 30 ILE HD11 H 1 0.684 0.020 . 1 . . . A 30 ILE HD11 . 25675 1 310 . 1 1 30 30 ILE HD12 H 1 0.684 0.020 . 1 . . . A 30 ILE HD12 . 25675 1 311 . 1 1 30 30 ILE HD13 H 1 0.684 0.020 . 1 . . . A 30 ILE HD13 . 25675 1 312 . 1 1 30 30 ILE CA C 13 55.714 0.400 . 1 . . . A 30 ILE CA . 25675 1 313 . 1 1 30 30 ILE CB C 13 38.853 0.400 . 1 . . . A 30 ILE CB . 25675 1 314 . 1 1 30 30 ILE CG1 C 13 26.537 0.400 . 1 . . . A 30 ILE CG1 . 25675 1 315 . 1 1 30 30 ILE CG2 C 13 16.860 0.400 . 1 . . . A 30 ILE CG2 . 25675 1 316 . 1 1 30 30 ILE CD1 C 13 12.118 0.400 . 1 . . . A 30 ILE CD1 . 25675 1 317 . 1 1 30 30 ILE N N 15 124.950 0.400 . 1 . . . A 30 ILE N . 25675 1 318 . 1 1 31 31 PRO HA H 1 4.383 0.020 . 1 . . . A 31 PRO HA . 25675 1 319 . 1 1 31 31 PRO HB2 H 1 1.623 0.020 . 2 . . . A 31 PRO HB2 . 25675 1 320 . 1 1 31 31 PRO HB3 H 1 1.623 0.020 . 2 . . . A 31 PRO HB3 . 25675 1 321 . 1 1 31 31 PRO HD2 H 1 3.718 0.020 . 2 . . . A 31 PRO HD2 . 25675 1 322 . 1 1 31 31 PRO HD3 H 1 3.718 0.020 . 2 . . . A 31 PRO HD3 . 25675 1 323 . 1 1 31 31 PRO C C 13 175.768 0.400 . 1 . . . A 31 PRO C . 25675 1 324 . 1 1 31 31 PRO CA C 13 62.782 0.400 . 1 . . . A 31 PRO CA . 25675 1 325 . 1 1 31 31 PRO CB C 13 32.367 0.400 . 1 . . . A 31 PRO CB . 25675 1 326 . 1 1 31 31 PRO CG C 13 27.141 0.400 . 1 . . . A 31 PRO CG . 25675 1 327 . 1 1 31 31 PRO CD C 13 50.918 0.400 . 1 . . . A 31 PRO CD . 25675 1 328 . 1 1 32 32 SER H H 1 7.835 0.020 . 1 . . . A 32 SER H . 25675 1 329 . 1 1 32 32 SER HA H 1 4.567 0.020 . 1 . . . A 32 SER HA . 25675 1 330 . 1 1 32 32 SER HB2 H 1 3.188 0.020 . 2 . . . A 32 SER HB2 . 25675 1 331 . 1 1 32 32 SER HB3 H 1 3.883 0.020 . 2 . . . A 32 SER HB3 . 25675 1 332 . 1 1 32 32 SER C C 13 175.170 0.400 . 1 . . . A 32 SER C . 25675 1 333 . 1 1 32 32 SER CA C 13 56.211 0.400 . 1 . . . A 32 SER CA . 25675 1 334 . 1 1 32 32 SER CB C 13 65.701 0.400 . 1 . . . A 32 SER CB . 25675 1 335 . 1 1 32 32 SER N N 15 114.522 0.400 . 1 . . . A 32 SER N . 25675 1 336 . 1 1 33 33 GLU H H 1 9.229 0.020 . 1 . . . A 33 GLU H . 25675 1 337 . 1 1 33 33 GLU HA H 1 4.293 0.020 . 1 . . . A 33 GLU HA . 25675 1 338 . 1 1 33 33 GLU HB2 H 1 2.113 0.020 . 2 . . . A 33 GLU HB2 . 25675 1 339 . 1 1 33 33 GLU HB3 H 1 2.254 0.020 . 2 . . . A 33 GLU HB3 . 25675 1 340 . 1 1 33 33 GLU HG2 H 1 2.262 0.020 . 2 . . . A 33 GLU HG2 . 25675 1 341 . 1 1 33 33 GLU HG3 H 1 2.262 0.020 . 2 . . . A 33 GLU HG3 . 25675 1 342 . 1 1 33 33 GLU C C 13 178.843 0.400 . 1 . . . A 33 GLU C . 25675 1 343 . 1 1 33 33 GLU CB C 13 30.593 0.400 . 1 . . . A 33 GLU CB . 25675 1 344 . 1 1 33 33 GLU CG C 13 36.199 0.400 . 1 . . . A 33 GLU CG . 25675 1 345 . 1 1 33 33 GLU N N 15 118.001 0.400 . 1 . . . A 33 GLU N . 25675 1 346 . 1 1 34 34 ASP H H 1 9.067 0.020 . 1 . . . A 34 ASP H . 25675 1 347 . 1 1 34 34 ASP HA H 1 4.272 0.020 . 1 . . . A 34 ASP HA . 25675 1 348 . 1 1 34 34 ASP HB2 H 1 2.701 0.020 . 2 . . . A 34 ASP HB2 . 25675 1 349 . 1 1 34 34 ASP HB3 H 1 2.701 0.020 . 2 . . . A 34 ASP HB3 . 25675 1 350 . 1 1 34 34 ASP C C 13 175.680 0.400 . 1 . . . A 34 ASP C . 25675 1 351 . 1 1 34 34 ASP CA C 13 56.962 0.400 . 1 . . . A 34 ASP CA . 25675 1 352 . 1 1 34 34 ASP CB C 13 40.086 0.400 . 1 . . . A 34 ASP CB . 25675 1 353 . 1 1 34 34 ASP N N 15 122.097 0.400 . 1 . . . A 34 ASP N . 25675 1 354 . 1 1 35 35 ASP H H 1 7.701 0.020 . 1 . . . A 35 ASP H . 25675 1 355 . 1 1 35 35 ASP HA H 1 4.495 0.020 . 1 . . . A 35 ASP HA . 25675 1 356 . 1 1 35 35 ASP HB2 H 1 2.556 0.020 . 2 . . . A 35 ASP HB2 . 25675 1 357 . 1 1 35 35 ASP HB3 H 1 3.034 0.020 . 2 . . . A 35 ASP HB3 . 25675 1 358 . 1 1 35 35 ASP C C 13 177.470 0.400 . 1 . . . A 35 ASP C . 25675 1 359 . 1 1 35 35 ASP CA C 13 52.916 0.400 . 1 . . . A 35 ASP CA . 25675 1 360 . 1 1 35 35 ASP CB C 13 39.813 0.400 . 1 . . . A 35 ASP CB . 25675 1 361 . 1 1 35 35 ASP N N 15 115.678 0.400 . 1 . . . A 35 ASP N . 25675 1 362 . 1 1 36 36 GLY H H 1 8.211 0.020 . 1 . . . A 36 GLY H . 25675 1 363 . 1 1 36 36 GLY HA2 H 1 3.892 0.020 . 2 . . . A 36 GLY HA2 . 25675 1 364 . 1 1 36 36 GLY HA3 H 1 4.345 0.020 . 2 . . . A 36 GLY HA3 . 25675 1 365 . 1 1 36 36 GLY C C 13 175.387 0.400 . 1 . . . A 36 GLY C . 25675 1 366 . 1 1 36 36 GLY CA C 13 45.526 0.400 . 1 . . . A 36 GLY CA . 25675 1 367 . 1 1 36 36 GLY N N 15 107.781 0.400 . 1 . . . A 36 GLY N . 25675 1 368 . 1 1 37 37 THR H H 1 7.890 0.020 . 1 . . . A 37 THR H . 25675 1 369 . 1 1 37 37 THR HA H 1 4.787 0.020 . 1 . . . A 37 THR HA . 25675 1 370 . 1 1 37 37 THR HB H 1 3.983 0.020 . 1 . . . A 37 THR HB . 25675 1 371 . 1 1 37 37 THR HG21 H 1 0.771 0.020 . 1 . . . A 37 THR HG21 . 25675 1 372 . 1 1 37 37 THR HG22 H 1 0.771 0.020 . 1 . . . A 37 THR HG22 . 25675 1 373 . 1 1 37 37 THR HG23 H 1 0.771 0.020 . 1 . . . A 37 THR HG23 . 25675 1 374 . 1 1 37 37 THR C C 13 175.874 0.400 . 1 . . . A 37 THR C . 25675 1 375 . 1 1 37 37 THR CA C 13 61.569 0.400 . 1 . . . A 37 THR CA . 25675 1 376 . 1 1 37 37 THR CB C 13 71.292 0.400 . 1 . . . A 37 THR CB . 25675 1 377 . 1 1 37 37 THR CG2 C 13 21.447 0.400 . 1 . . . A 37 THR CG2 . 25675 1 378 . 1 1 37 37 THR N N 15 113.224 0.400 . 1 . . . A 37 THR N . 25675 1 379 . 1 1 38 38 VAL H H 1 8.382 0.020 . 1 . . . A 38 VAL H . 25675 1 380 . 1 1 38 38 VAL HA H 1 4.347 0.020 . 1 . . . A 38 VAL HA . 25675 1 381 . 1 1 38 38 VAL HB H 1 1.454 0.020 . 1 . . . A 38 VAL HB . 25675 1 382 . 1 1 38 38 VAL HG11 H 1 0.114 0.020 . 2 . . . A 38 VAL HG11 . 25675 1 383 . 1 1 38 38 VAL HG12 H 1 0.114 0.020 . 2 . . . A 38 VAL HG12 . 25675 1 384 . 1 1 38 38 VAL HG13 H 1 0.114 0.020 . 2 . . . A 38 VAL HG13 . 25675 1 385 . 1 1 38 38 VAL HG21 H 1 0.490 0.020 . 2 . . . A 38 VAL HG21 . 25675 1 386 . 1 1 38 38 VAL HG22 H 1 0.490 0.020 . 2 . . . A 38 VAL HG22 . 25675 1 387 . 1 1 38 38 VAL HG23 H 1 0.490 0.020 . 2 . . . A 38 VAL HG23 . 25675 1 388 . 1 1 38 38 VAL C C 13 175.187 0.400 . 1 . . . A 38 VAL C . 25675 1 389 . 1 1 38 38 VAL CA C 13 61.037 0.400 . 1 . . . A 38 VAL CA . 25675 1 390 . 1 1 38 38 VAL CB C 13 35.474 0.400 . 1 . . . A 38 VAL CB . 25675 1 391 . 1 1 38 38 VAL CG1 C 13 21.389 0.400 . 2 . . . A 38 VAL CG1 . 25675 1 392 . 1 1 38 38 VAL CG2 C 13 20.910 0.400 . 2 . . . A 38 VAL CG2 . 25675 1 393 . 1 1 38 38 VAL N N 15 117.698 0.400 . 1 . . . A 38 VAL N . 25675 1 394 . 1 1 39 39 LEU H H 1 8.516 0.020 . 1 . . . A 39 LEU H . 25675 1 395 . 1 1 39 39 LEU HA H 1 4.499 0.020 . 1 . . . A 39 LEU HA . 25675 1 396 . 1 1 39 39 LEU HB2 H 1 1.690 0.020 . 2 . . . A 39 LEU HB2 . 25675 1 397 . 1 1 39 39 LEU HB3 H 1 2.016 0.020 . 2 . . . A 39 LEU HB3 . 25675 1 398 . 1 1 39 39 LEU HG H 1 1.599 0.020 . 1 . . . A 39 LEU HG . 25675 1 399 . 1 1 39 39 LEU HD11 H 1 0.794 0.020 . 2 . . . A 39 LEU HD11 . 25675 1 400 . 1 1 39 39 LEU HD12 H 1 0.794 0.020 . 2 . . . A 39 LEU HD12 . 25675 1 401 . 1 1 39 39 LEU HD13 H 1 0.794 0.020 . 2 . . . A 39 LEU HD13 . 25675 1 402 . 1 1 39 39 LEU C C 13 178.655 0.400 . 1 . . . A 39 LEU C . 25675 1 403 . 1 1 39 39 LEU CA C 13 54.994 0.400 . 1 . . . A 39 LEU CA . 25675 1 404 . 1 1 39 39 LEU CB C 13 40.660 0.400 . 1 . . . A 39 LEU CB . 25675 1 405 . 1 1 39 39 LEU CG C 13 26.822 0.400 . 1 . . . A 39 LEU CG . 25675 1 406 . 1 1 39 39 LEU CD1 C 13 25.120 0.400 . 2 . . . A 39 LEU CD1 . 25675 1 407 . 1 1 39 39 LEU CD2 C 13 23.015 0.400 . 2 . . . A 39 LEU CD2 . 25675 1 408 . 1 1 39 39 LEU N N 15 126.182 0.400 . 1 . . . A 39 LEU N . 25675 1 409 . 1 1 40 40 LEU H H 1 8.666 0.020 . 1 . . . A 40 LEU H . 25675 1 410 . 1 1 40 40 LEU HA H 1 3.973 0.020 . 1 . . . A 40 LEU HA . 25675 1 411 . 1 1 40 40 LEU HB2 H 1 1.675 0.020 . 2 . . . A 40 LEU HB2 . 25675 1 412 . 1 1 40 40 LEU HB3 H 1 1.891 0.020 . 2 . . . A 40 LEU HB3 . 25675 1 413 . 1 1 40 40 LEU HG H 1 0.916 0.020 . 1 . . . A 40 LEU HG . 25675 1 414 . 1 1 40 40 LEU HD11 H 1 0.629 0.020 . 2 . . . A 40 LEU HD11 . 25675 1 415 . 1 1 40 40 LEU HD12 H 1 0.629 0.020 . 2 . . . A 40 LEU HD12 . 25675 1 416 . 1 1 40 40 LEU HD13 H 1 0.629 0.020 . 2 . . . A 40 LEU HD13 . 25675 1 417 . 1 1 40 40 LEU C C 13 178.620 0.400 . 1 . . . A 40 LEU C . 25675 1 418 . 1 1 40 40 LEU CA C 13 58.256 0.400 . 1 . . . A 40 LEU CA . 25675 1 419 . 1 1 40 40 LEU CB C 13 40.998 0.400 . 1 . . . A 40 LEU CB . 25675 1 420 . 1 1 40 40 LEU CG C 13 26.240 0.400 . 1 . . . A 40 LEU CG . 25675 1 421 . 1 1 40 40 LEU CD2 C 13 21.577 0.400 . 2 . . . A 40 LEU CD2 . 25675 1 422 . 1 1 40 40 LEU N N 15 125.652 0.400 . 1 . . . A 40 LEU N . 25675 1 423 . 1 1 41 41 SER H H 1 8.758 0.020 . 1 . . . A 41 SER H . 25675 1 424 . 1 1 41 41 SER HA H 1 4.359 0.020 . 1 . . . A 41 SER HA . 25675 1 425 . 1 1 41 41 SER HB2 H 1 3.788 0.020 . 2 . . . A 41 SER HB2 . 25675 1 426 . 1 1 41 41 SER HB3 H 1 3.877 0.020 . 2 . . . A 41 SER HB3 . 25675 1 427 . 1 1 41 41 SER C C 13 176.760 0.400 . 1 . . . A 41 SER C . 25675 1 428 . 1 1 41 41 SER CA C 13 60.390 0.400 . 1 . . . A 41 SER CA . 25675 1 429 . 1 1 41 41 SER CB C 13 62.032 0.400 . 1 . . . A 41 SER CB . 25675 1 430 . 1 1 41 41 SER N N 15 112.797 0.400 . 1 . . . A 41 SER N . 25675 1 431 . 1 1 42 42 THR H H 1 7.461 0.020 . 1 . . . A 42 THR H . 25675 1 432 . 1 1 42 42 THR HA H 1 3.993 0.020 . 1 . . . A 42 THR HA . 25675 1 433 . 1 1 42 42 THR HB H 1 4.346 0.020 . 1 . . . A 42 THR HB . 25675 1 434 . 1 1 42 42 THR HG21 H 1 1.348 0.020 . 1 . . . A 42 THR HG21 . 25675 1 435 . 1 1 42 42 THR HG22 H 1 1.348 0.020 . 1 . . . A 42 THR HG22 . 25675 1 436 . 1 1 42 42 THR HG23 H 1 1.348 0.020 . 1 . . . A 42 THR HG23 . 25675 1 437 . 1 1 42 42 THR C C 13 176.226 0.400 . 1 . . . A 42 THR C . 25675 1 438 . 1 1 42 42 THR CA C 13 65.206 0.400 . 1 . . . A 42 THR CA . 25675 1 439 . 1 1 42 42 THR CB C 13 67.912 0.400 . 1 . . . A 42 THR CB . 25675 1 440 . 1 1 42 42 THR CG2 C 13 23.921 0.400 . 1 . . . A 42 THR CG2 . 25675 1 441 . 1 1 42 42 THR N N 15 121.066 0.400 . 1 . . . A 42 THR N . 25675 1 442 . 1 1 43 43 VAL H H 1 7.288 0.020 . 1 . . . A 43 VAL H . 25675 1 443 . 1 1 43 43 VAL HA H 1 3.594 0.020 . 1 . . . A 43 VAL HA . 25675 1 444 . 1 1 43 43 VAL HB H 1 2.461 0.020 . 1 . . . A 43 VAL HB . 25675 1 445 . 1 1 43 43 VAL HG11 H 1 0.777 0.020 . 2 . . . A 43 VAL HG11 . 25675 1 446 . 1 1 43 43 VAL HG12 H 1 0.777 0.020 . 2 . . . A 43 VAL HG12 . 25675 1 447 . 1 1 43 43 VAL HG13 H 1 0.777 0.020 . 2 . . . A 43 VAL HG13 . 25675 1 448 . 1 1 43 43 VAL HG21 H 1 0.742 0.020 . 2 . . . A 43 VAL HG21 . 25675 1 449 . 1 1 43 43 VAL HG22 H 1 0.742 0.020 . 2 . . . A 43 VAL HG22 . 25675 1 450 . 1 1 43 43 VAL HG23 H 1 0.742 0.020 . 2 . . . A 43 VAL HG23 . 25675 1 451 . 1 1 43 43 VAL C C 13 178.796 0.400 . 1 . . . A 43 VAL C . 25675 1 452 . 1 1 43 43 VAL CA C 13 66.808 0.400 . 1 . . . A 43 VAL CA . 25675 1 453 . 1 1 43 43 VAL CB C 13 31.840 0.400 . 1 . . . A 43 VAL CB . 25675 1 454 . 1 1 43 43 VAL CG1 C 13 22.323 0.400 . 2 . . . A 43 VAL CG1 . 25675 1 455 . 1 1 43 43 VAL CG2 C 13 21.926 0.400 . 2 . . . A 43 VAL CG2 . 25675 1 456 . 1 1 43 43 VAL N N 15 120.996 0.400 . 1 . . . A 43 VAL N . 25675 1 457 . 1 1 44 44 THR H H 1 9.189 0.020 . 1 . . . A 44 THR H . 25675 1 458 . 1 1 44 44 THR HA H 1 4.202 0.020 . 1 . . . A 44 THR HA . 25675 1 459 . 1 1 44 44 THR HB H 1 4.354 0.020 . 1 . . . A 44 THR HB . 25675 1 460 . 1 1 44 44 THR HG21 H 1 1.353 0.020 . 1 . . . A 44 THR HG21 . 25675 1 461 . 1 1 44 44 THR HG22 H 1 1.353 0.020 . 1 . . . A 44 THR HG22 . 25675 1 462 . 1 1 44 44 THR HG23 H 1 1.353 0.020 . 1 . . . A 44 THR HG23 . 25675 1 463 . 1 1 44 44 THR C C 13 176.337 0.400 . 1 . . . A 44 THR C . 25675 1 464 . 1 1 44 44 THR CA C 13 64.358 0.400 . 1 . . . A 44 THR CA . 25675 1 465 . 1 1 44 44 THR CB C 13 68.969 0.400 . 1 . . . A 44 THR CB . 25675 1 466 . 1 1 44 44 THR CG2 C 13 23.372 0.400 . 1 . . . A 44 THR CG2 . 25675 1 467 . 1 1 44 44 THR N N 15 113.305 0.400 . 1 . . . A 44 THR N . 25675 1 468 . 1 1 45 45 ALA H H 1 7.274 0.020 . 1 . . . A 45 ALA H . 25675 1 469 . 1 1 45 45 ALA HA H 1 4.049 0.020 . 1 . . . A 45 ALA HA . 25675 1 470 . 1 1 45 45 ALA HB1 H 1 1.460 0.020 . 1 . . . A 45 ALA HB1 . 25675 1 471 . 1 1 45 45 ALA HB2 H 1 1.460 0.020 . 1 . . . A 45 ALA HB2 . 25675 1 472 . 1 1 45 45 ALA HB3 H 1 1.460 0.020 . 1 . . . A 45 ALA HB3 . 25675 1 473 . 1 1 45 45 ALA C C 13 178.685 0.400 . 1 . . . A 45 ALA C . 25675 1 474 . 1 1 45 45 ALA CA C 13 54.626 0.400 . 1 . . . A 45 ALA CA . 25675 1 475 . 1 1 45 45 ALA CB C 13 18.277 0.400 . 1 . . . A 45 ALA CB . 25675 1 476 . 1 1 45 45 ALA N N 15 121.618 0.400 . 1 . . . A 45 ALA N . 25675 1 477 . 1 1 46 46 GLN H H 1 6.860 0.020 . 1 . . . A 46 GLN H . 25675 1 478 . 1 1 46 46 GLN HA H 1 4.130 0.020 . 1 . . . A 46 GLN HA . 25675 1 479 . 1 1 46 46 GLN HB2 H 1 1.597 0.020 . 2 . . . A 46 GLN HB2 . 25675 1 480 . 1 1 46 46 GLN HB3 H 1 1.634 0.020 . 2 . . . A 46 GLN HB3 . 25675 1 481 . 1 1 46 46 GLN HG2 H 1 2.126 0.020 . 2 . . . A 46 GLN HG2 . 25675 1 482 . 1 1 46 46 GLN HG3 H 1 2.548 0.020 . 2 . . . A 46 GLN HG3 . 25675 1 483 . 1 1 46 46 GLN HE21 H 1 7.405 0.020 . 2 . . . A 46 GLN HE21 . 25675 1 484 . 1 1 46 46 GLN HE22 H 1 6.780 0.020 . 2 . . . A 46 GLN HE22 . 25675 1 485 . 1 1 46 46 GLN C C 13 174.823 0.400 . 1 . . . A 46 GLN C . 25675 1 486 . 1 1 46 46 GLN CA C 13 55.250 0.400 . 1 . . . A 46 GLN CA . 25675 1 487 . 1 1 46 46 GLN CB C 13 29.920 0.400 . 1 . . . A 46 GLN CB . 25675 1 488 . 1 1 46 46 GLN CG C 13 32.967 0.400 . 1 . . . A 46 GLN CG . 25675 1 489 . 1 1 46 46 GLN N N 15 112.595 0.400 . 1 . . . A 46 GLN N . 25675 1 490 . 1 1 46 46 GLN NE2 N 15 113.135 0.400 . 1 . . . A 46 GLN NE2 . 25675 1 491 . 1 1 47 47 PHE H H 1 8.344 0.020 . 1 . . . A 47 PHE H . 25675 1 492 . 1 1 47 47 PHE HA H 1 4.965 0.020 . 1 . . . A 47 PHE HA . 25675 1 493 . 1 1 47 47 PHE HB2 H 1 2.691 0.020 . 2 . . . A 47 PHE HB2 . 25675 1 494 . 1 1 47 47 PHE HB3 H 1 3.050 0.020 . 2 . . . A 47 PHE HB3 . 25675 1 495 . 1 1 47 47 PHE HD1 H 1 7.224 0.020 . 3 . . . A 47 PHE HD1 . 25675 1 496 . 1 1 47 47 PHE HD2 H 1 7.224 0.020 . 3 . . . A 47 PHE HD2 . 25675 1 497 . 1 1 47 47 PHE HE1 H 1 7.103 0.020 . 3 . . . A 47 PHE HE1 . 25675 1 498 . 1 1 47 47 PHE HE2 H 1 7.103 0.020 . 3 . . . A 47 PHE HE2 . 25675 1 499 . 1 1 47 47 PHE HZ H 1 7.269 0.020 . 1 . . . A 47 PHE HZ . 25675 1 500 . 1 1 47 47 PHE CA C 13 54.741 0.400 . 1 . . . A 47 PHE CA . 25675 1 501 . 1 1 47 47 PHE CB C 13 39.614 0.400 . 1 . . . A 47 PHE CB . 25675 1 502 . 1 1 47 47 PHE CD1 C 13 132.664 0.400 . 3 . . . A 47 PHE CD1 . 25675 1 503 . 1 1 47 47 PHE CE1 C 13 130.890 0.400 . 3 . . . A 47 PHE CE1 . 25675 1 504 . 1 1 47 47 PHE CZ C 13 129.294 0.400 . 1 . . . A 47 PHE CZ . 25675 1 505 . 1 1 47 47 PHE N N 15 118.197 0.400 . 1 . . . A 47 PHE N . 25675 1 506 . 1 1 48 48 PRO HA H 1 4.440 0.020 . 1 . . . A 48 PRO HA . 25675 1 507 . 1 1 48 48 PRO HB2 H 1 1.896 0.020 . 2 . . . A 48 PRO HB2 . 25675 1 508 . 1 1 48 48 PRO HB3 H 1 2.306 0.020 . 2 . . . A 48 PRO HB3 . 25675 1 509 . 1 1 48 48 PRO HG2 H 1 1.991 0.020 . 2 . . . A 48 PRO HG2 . 25675 1 510 . 1 1 48 48 PRO HG3 H 1 2.062 0.020 . 2 . . . A 48 PRO HG3 . 25675 1 511 . 1 1 48 48 PRO HD2 H 1 3.290 0.020 . 2 . . . A 48 PRO HD2 . 25675 1 512 . 1 1 48 48 PRO HD3 H 1 3.664 0.020 . 2 . . . A 48 PRO HD3 . 25675 1 513 . 1 1 48 48 PRO C C 13 178.626 0.400 . 1 . . . A 48 PRO C . 25675 1 514 . 1 1 48 48 PRO CA C 13 64.340 0.400 . 1 . . . A 48 PRO CA . 25675 1 515 . 1 1 48 48 PRO CB C 13 31.446 0.400 . 1 . . . A 48 PRO CB . 25675 1 516 . 1 1 48 48 PRO CG C 13 27.591 0.400 . 1 . . . A 48 PRO CG . 25675 1 517 . 1 1 48 48 PRO CD C 13 50.015 0.400 . 1 . . . A 48 PRO CD . 25675 1 518 . 1 1 49 49 GLY H H 1 8.849 0.020 . 1 . . . A 49 GLY H . 25675 1 519 . 1 1 49 49 GLY HA2 H 1 3.703 0.020 . 2 . . . A 49 GLY HA2 . 25675 1 520 . 1 1 49 49 GLY HA3 H 1 4.415 0.020 . 2 . . . A 49 GLY HA3 . 25675 1 521 . 1 1 49 49 GLY C C 13 174.307 0.400 . 1 . . . A 49 GLY C . 25675 1 522 . 1 1 49 49 GLY CA C 13 44.761 0.400 . 1 . . . A 49 GLY CA . 25675 1 523 . 1 1 49 49 GLY N N 15 111.697 0.400 . 1 . . . A 49 GLY N . 25675 1 524 . 1 1 50 50 ALA H H 1 8.032 0.020 . 1 . . . A 50 ALA H . 25675 1 525 . 1 1 50 50 ALA HA H 1 3.828 0.020 . 1 . . . A 50 ALA HA . 25675 1 526 . 1 1 50 50 ALA HB1 H 1 1.261 0.020 . 1 . . . A 50 ALA HB1 . 25675 1 527 . 1 1 50 50 ALA HB2 H 1 1.261 0.020 . 1 . . . A 50 ALA HB2 . 25675 1 528 . 1 1 50 50 ALA HB3 H 1 1.261 0.020 . 1 . . . A 50 ALA HB3 . 25675 1 529 . 1 1 50 50 ALA C C 13 177.534 0.400 . 1 . . . A 50 ALA C . 25675 1 530 . 1 1 50 50 ALA CA C 13 53.406 0.400 . 1 . . . A 50 ALA CA . 25675 1 531 . 1 1 50 50 ALA CB C 13 20.390 0.400 . 1 . . . A 50 ALA CB . 25675 1 532 . 1 1 50 50 ALA N N 15 122.602 0.400 . 1 . . . A 50 ALA N . 25675 1 533 . 1 1 51 51 CYS H H 1 9.094 0.020 . 1 . . . A 51 CYS H . 25675 1 534 . 1 1 51 51 CYS HA H 1 4.545 0.020 . 1 . . . A 51 CYS HA . 25675 1 535 . 1 1 51 51 CYS HB2 H 1 2.773 0.020 . 2 . . . A 51 CYS HB2 . 25675 1 536 . 1 1 51 51 CYS HB3 H 1 2.868 0.020 . 2 . . . A 51 CYS HB3 . 25675 1 537 . 1 1 51 51 CYS C C 13 174.248 0.400 . 1 . . . A 51 CYS C . 25675 1 538 . 1 1 51 51 CYS CA C 13 57.407 0.400 . 1 . . . A 51 CYS CA . 25675 1 539 . 1 1 51 51 CYS CB C 13 29.813 0.400 . 1 . . . A 51 CYS CB . 25675 1 540 . 1 1 51 51 CYS N N 15 114.410 0.400 . 1 . . . A 51 CYS N . 25675 1 541 . 1 1 52 52 GLY H H 1 7.467 0.020 . 1 . . . A 52 GLY H . 25675 1 542 . 1 1 52 52 GLY HA2 H 1 3.661 0.020 . 2 . . . A 52 GLY HA2 . 25675 1 543 . 1 1 52 52 GLY HA3 H 1 4.302 0.020 . 2 . . . A 52 GLY HA3 . 25675 1 544 . 1 1 52 52 GLY C C 13 170.769 0.400 . 1 . . . A 52 GLY C . 25675 1 545 . 1 1 52 52 GLY CA C 13 44.961 0.400 . 1 . . . A 52 GLY CA . 25675 1 546 . 1 1 52 52 GLY N N 15 106.620 0.400 . 1 . . . A 52 GLY N . 25675 1 547 . 1 1 53 53 LEU H H 1 8.900 0.020 . 1 . . . A 53 LEU H . 25675 1 548 . 1 1 53 53 LEU HA H 1 5.345 0.020 . 1 . . . A 53 LEU HA . 25675 1 549 . 1 1 53 53 LEU HB2 H 1 1.544 0.020 . 2 . . . A 53 LEU HB2 . 25675 1 550 . 1 1 53 53 LEU HB3 H 1 1.606 0.020 . 2 . . . A 53 LEU HB3 . 25675 1 551 . 1 1 53 53 LEU HG H 1 1.419 0.020 . 1 . . . A 53 LEU HG . 25675 1 552 . 1 1 53 53 LEU HD11 H 1 0.820 0.020 . 2 . . . A 53 LEU HD11 . 25675 1 553 . 1 1 53 53 LEU HD12 H 1 0.820 0.020 . 2 . . . A 53 LEU HD12 . 25675 1 554 . 1 1 53 53 LEU HD13 H 1 0.820 0.020 . 2 . . . A 53 LEU HD13 . 25675 1 555 . 1 1 53 53 LEU HD21 H 1 0.553 0.020 . 2 . . . A 53 LEU HD21 . 25675 1 556 . 1 1 53 53 LEU HD22 H 1 0.553 0.020 . 2 . . . A 53 LEU HD22 . 25675 1 557 . 1 1 53 53 LEU HD23 H 1 0.553 0.020 . 2 . . . A 53 LEU HD23 . 25675 1 558 . 1 1 53 53 LEU C C 13 175.563 0.400 . 1 . . . A 53 LEU C . 25675 1 559 . 1 1 53 53 LEU CA C 13 53.652 0.400 . 1 . . . A 53 LEU CA . 25675 1 560 . 1 1 53 53 LEU CB C 13 48.585 0.400 . 1 . . . A 53 LEU CB . 25675 1 561 . 1 1 53 53 LEU CG C 13 26.730 0.400 . 1 . . . A 53 LEU CG . 25675 1 562 . 1 1 53 53 LEU CD1 C 13 24.451 0.400 . 2 . . . A 53 LEU CD1 . 25675 1 563 . 1 1 53 53 LEU CD2 C 13 24.236 0.400 . 2 . . . A 53 LEU CD2 . 25675 1 564 . 1 1 53 53 LEU N N 15 117.961 0.400 . 1 . . . A 53 LEU N . 25675 1 565 . 1 1 54 54 ARG H H 1 9.493 0.020 . 1 . . . A 54 ARG H . 25675 1 566 . 1 1 54 54 ARG HA H 1 5.611 0.020 . 1 . . . A 54 ARG HA . 25675 1 567 . 1 1 54 54 ARG HB2 H 1 1.666 0.020 . 2 . . . A 54 ARG HB2 . 25675 1 568 . 1 1 54 54 ARG HB3 H 1 1.730 0.020 . 2 . . . A 54 ARG HB3 . 25675 1 569 . 1 1 54 54 ARG HG2 H 1 1.198 0.020 . 2 . . . A 54 ARG HG2 . 25675 1 570 . 1 1 54 54 ARG HG3 H 1 1.321 0.020 . 2 . . . A 54 ARG HG3 . 25675 1 571 . 1 1 54 54 ARG HD2 H 1 2.898 0.020 . 2 . . . A 54 ARG HD2 . 25675 1 572 . 1 1 54 54 ARG HD3 H 1 3.076 0.020 . 2 . . . A 54 ARG HD3 . 25675 1 573 . 1 1 54 54 ARG HE H 1 6.940 0.020 . 1 . . . A 54 ARG HE . 25675 1 574 . 1 1 54 54 ARG C C 13 173.638 0.400 . 1 . . . A 54 ARG C . 25675 1 575 . 1 1 54 54 ARG CA C 13 54.447 0.400 . 1 . . . A 54 ARG CA . 25675 1 576 . 1 1 54 54 ARG CB C 13 34.538 0.400 . 1 . . . A 54 ARG CB . 25675 1 577 . 1 1 54 54 ARG CG C 13 26.460 0.400 . 1 . . . A 54 ARG CG . 25675 1 578 . 1 1 54 54 ARG CD C 13 43.707 0.400 . 1 . . . A 54 ARG CD . 25675 1 579 . 1 1 54 54 ARG N N 15 119.739 0.400 . 1 . . . A 54 ARG N . 25675 1 580 . 1 1 54 54 ARG NE N 15 83.767 0.400 . 1 . . . A 54 ARG NE . 25675 1 581 . 1 1 55 55 TYR H H 1 8.972 0.020 . 1 . . . A 55 TYR H . 25675 1 582 . 1 1 55 55 TYR HA H 1 4.788 0.020 . 1 . . . A 55 TYR HA . 25675 1 583 . 1 1 55 55 TYR HB2 H 1 2.424 0.020 . 2 . . . A 55 TYR HB2 . 25675 1 584 . 1 1 55 55 TYR HB3 H 1 3.008 0.020 . 2 . . . A 55 TYR HB3 . 25675 1 585 . 1 1 55 55 TYR HD1 H 1 6.810 0.020 . 3 . . . A 55 TYR HD1 . 25675 1 586 . 1 1 55 55 TYR HD2 H 1 6.810 0.020 . 3 . . . A 55 TYR HD2 . 25675 1 587 . 1 1 55 55 TYR HE1 H 1 6.581 0.020 . 3 . . . A 55 TYR HE1 . 25675 1 588 . 1 1 55 55 TYR HE2 H 1 6.581 0.020 . 3 . . . A 55 TYR HE2 . 25675 1 589 . 1 1 55 55 TYR C C 13 172.417 0.400 . 1 . . . A 55 TYR C . 25675 1 590 . 1 1 55 55 TYR CA C 13 55.993 0.400 . 1 . . . A 55 TYR CA . 25675 1 591 . 1 1 55 55 TYR CB C 13 41.100 0.400 . 1 . . . A 55 TYR CB . 25675 1 592 . 1 1 55 55 TYR CD2 C 13 134.346 0.400 . 3 . . . A 55 TYR CD2 . 25675 1 593 . 1 1 55 55 TYR CE2 C 13 116.680 0.400 . 3 . . . A 55 TYR CE2 . 25675 1 594 . 1 1 55 55 TYR N N 15 115.879 0.400 . 1 . . . A 55 TYR N . 25675 1 595 . 1 1 56 56 ARG H H 1 8.883 0.020 . 1 . . . A 56 ARG H . 25675 1 596 . 1 1 56 56 ARG HA H 1 4.283 0.020 . 1 . . . A 56 ARG HA . 25675 1 597 . 1 1 56 56 ARG HB3 H 1 1.556 0.020 . 2 . . . A 56 ARG HB3 . 25675 1 598 . 1 1 56 56 ARG HG3 H 1 1.155 0.020 . 2 . . . A 56 ARG HG3 . 25675 1 599 . 1 1 56 56 ARG HD2 H 1 3.056 0.020 . 2 . . . A 56 ARG HD2 . 25675 1 600 . 1 1 56 56 ARG HD3 H 1 3.056 0.020 . 2 . . . A 56 ARG HD3 . 25675 1 601 . 1 1 56 56 ARG HE H 1 7.054 0.020 . 1 . . . A 56 ARG HE . 25675 1 602 . 1 1 56 56 ARG C C 13 175.598 0.400 . 1 . . . A 56 ARG C . 25675 1 603 . 1 1 56 56 ARG CA C 13 55.168 0.400 . 1 . . . A 56 ARG CA . 25675 1 604 . 1 1 56 56 ARG CB C 13 30.753 0.400 . 1 . . . A 56 ARG CB . 25675 1 605 . 1 1 56 56 ARG CG C 13 27.661 0.400 . 1 . . . A 56 ARG CG . 25675 1 606 . 1 1 56 56 ARG CD C 13 43.242 0.400 . 1 . . . A 56 ARG CD . 25675 1 607 . 1 1 56 56 ARG N N 15 121.380 0.400 . 1 . . . A 56 ARG N . 25675 1 608 . 1 1 56 56 ARG NE N 15 84.335 0.400 . 1 . . . A 56 ARG NE . 25675 1 609 . 1 1 57 57 ASN H H 1 8.428 0.020 . 1 . . . A 57 ASN H . 25675 1 610 . 1 1 57 57 ASN HA H 1 4.808 0.020 . 1 . . . A 57 ASN HA . 25675 1 611 . 1 1 57 57 ASN HB2 H 1 2.453 0.020 . 2 . . . A 57 ASN HB2 . 25675 1 612 . 1 1 57 57 ASN HB3 H 1 3.153 0.020 . 2 . . . A 57 ASN HB3 . 25675 1 613 . 1 1 57 57 ASN HD21 H 1 7.498 0.020 . 2 . . . A 57 ASN HD21 . 25675 1 614 . 1 1 57 57 ASN HD22 H 1 7.425 0.020 . 2 . . . A 57 ASN HD22 . 25675 1 615 . 1 1 57 57 ASN CA C 13 51.255 0.400 . 1 . . . A 57 ASN CA . 25675 1 616 . 1 1 57 57 ASN CB C 13 39.741 0.400 . 1 . . . A 57 ASN CB . 25675 1 617 . 1 1 57 57 ASN N N 15 127.980 0.400 . 1 . . . A 57 ASN N . 25675 1 618 . 1 1 57 57 ASN ND2 N 15 114.388 0.400 . 1 . . . A 57 ASN ND2 . 25675 1 619 . 1 1 58 58 PRO HA H 1 4.293 0.020 . 1 . . . A 58 PRO HA . 25675 1 620 . 1 1 58 58 PRO HB2 H 1 2.028 0.020 . 2 . . . A 58 PRO HB2 . 25675 1 621 . 1 1 58 58 PRO HB3 H 1 2.339 0.020 . 2 . . . A 58 PRO HB3 . 25675 1 622 . 1 1 58 58 PRO HG2 H 1 2.110 0.020 . 2 . . . A 58 PRO HG2 . 25675 1 623 . 1 1 58 58 PRO HG3 H 1 2.110 0.020 . 2 . . . A 58 PRO HG3 . 25675 1 624 . 1 1 58 58 PRO HD2 H 1 3.933 0.020 . 2 . . . A 58 PRO HD2 . 25675 1 625 . 1 1 58 58 PRO HD3 H 1 4.148 0.020 . 2 . . . A 58 PRO HD3 . 25675 1 626 . 1 1 58 58 PRO C C 13 177.241 0.400 . 1 . . . A 58 PRO C . 25675 1 627 . 1 1 58 58 PRO CA C 13 64.592 0.400 . 1 . . . A 58 PRO CA . 25675 1 628 . 1 1 58 58 PRO CB C 13 32.288 0.400 . 1 . . . A 58 PRO CB . 25675 1 629 . 1 1 58 58 PRO CG C 13 27.517 0.400 . 1 . . . A 58 PRO CG . 25675 1 630 . 1 1 58 58 PRO CD C 13 50.910 0.400 . 1 . . . A 58 PRO CD . 25675 1 631 . 1 1 59 59 VAL H H 1 7.965 0.020 . 1 . . . A 59 VAL H . 25675 1 632 . 1 1 59 59 VAL HA H 1 3.909 0.020 . 1 . . . A 59 VAL HA . 25675 1 633 . 1 1 59 59 VAL HB H 1 2.072 0.020 . 1 . . . A 59 VAL HB . 25675 1 634 . 1 1 59 59 VAL HG11 H 1 0.976 0.020 . 2 . . . A 59 VAL HG11 . 25675 1 635 . 1 1 59 59 VAL HG12 H 1 0.976 0.020 . 2 . . . A 59 VAL HG12 . 25675 1 636 . 1 1 59 59 VAL HG13 H 1 0.976 0.020 . 2 . . . A 59 VAL HG13 . 25675 1 637 . 1 1 59 59 VAL HG21 H 1 0.909 0.020 . 2 . . . A 59 VAL HG21 . 25675 1 638 . 1 1 59 59 VAL HG22 H 1 0.909 0.020 . 2 . . . A 59 VAL HG22 . 25675 1 639 . 1 1 59 59 VAL HG23 H 1 0.909 0.020 . 2 . . . A 59 VAL HG23 . 25675 1 640 . 1 1 59 59 VAL C C 13 177.077 0.400 . 1 . . . A 59 VAL C . 25675 1 641 . 1 1 59 59 VAL CA C 13 64.722 0.400 . 1 . . . A 59 VAL CA . 25675 1 642 . 1 1 59 59 VAL CB C 13 31.961 0.400 . 1 . . . A 59 VAL CB . 25675 1 643 . 1 1 59 59 VAL CG1 C 13 20.945 0.400 . 2 . . . A 59 VAL CG1 . 25675 1 644 . 1 1 59 59 VAL CG2 C 13 21.121 0.400 . 2 . . . A 59 VAL CG2 . 25675 1 645 . 1 1 59 59 VAL N N 15 117.104 0.400 . 1 . . . A 59 VAL N . 25675 1 646 . 1 1 60 60 SER H H 1 7.691 0.020 . 1 . . . A 60 SER H . 25675 1 647 . 1 1 60 60 SER HA H 1 4.427 0.020 . 1 . . . A 60 SER HA . 25675 1 648 . 1 1 60 60 SER HB2 H 1 3.745 0.020 . 2 . . . A 60 SER HB2 . 25675 1 649 . 1 1 60 60 SER HB3 H 1 4.030 0.020 . 2 . . . A 60 SER HB3 . 25675 1 650 . 1 1 60 60 SER C C 13 175.252 0.400 . 1 . . . A 60 SER C . 25675 1 651 . 1 1 60 60 SER CA C 13 58.314 0.400 . 1 . . . A 60 SER CA . 25675 1 652 . 1 1 60 60 SER CB C 13 65.134 0.400 . 1 . . . A 60 SER CB . 25675 1 653 . 1 1 60 60 SER N N 15 113.119 0.400 . 1 . . . A 60 SER N . 25675 1 654 . 1 1 61 61 GLN H H 1 8.309 0.020 . 1 . . . A 61 GLN H . 25675 1 655 . 1 1 61 61 GLN HA H 1 3.860 0.020 . 1 . . . A 61 GLN HA . 25675 1 656 . 1 1 61 61 GLN HB2 H 1 2.338 0.020 . 2 . . . A 61 GLN HB2 . 25675 1 657 . 1 1 61 61 GLN HB3 H 1 2.338 0.020 . 2 . . . A 61 GLN HB3 . 25675 1 658 . 1 1 61 61 GLN HG2 H 1 2.134 0.020 . 2 . . . A 61 GLN HG2 . 25675 1 659 . 1 1 61 61 GLN HG3 H 1 2.134 0.020 . 2 . . . A 61 GLN HG3 . 25675 1 660 . 1 1 61 61 GLN HE21 H 1 7.312 0.020 . 2 . . . A 61 GLN HE21 . 25675 1 661 . 1 1 61 61 GLN HE22 H 1 6.703 0.020 . 2 . . . A 61 GLN HE22 . 25675 1 662 . 1 1 61 61 GLN C C 13 174.882 0.400 . 1 . . . A 61 GLN C . 25675 1 663 . 1 1 61 61 GLN CA C 13 57.336 0.400 . 1 . . . A 61 GLN CA . 25675 1 664 . 1 1 61 61 GLN CB C 13 26.000 0.400 . 1 . . . A 61 GLN CB . 25675 1 665 . 1 1 61 61 GLN CG C 13 33.491 0.400 . 1 . . . A 61 GLN CG . 25675 1 666 . 1 1 61 61 GLN N N 15 115.138 0.400 . 1 . . . A 61 GLN N . 25675 1 667 . 1 1 61 61 GLN NE2 N 15 112.719 0.400 . 1 . . . A 61 GLN NE2 . 25675 1 668 . 1 1 62 62 CYS H H 1 7.664 0.020 . 1 . . . A 62 CYS H . 25675 1 669 . 1 1 62 62 CYS HA H 1 4.532 0.020 . 1 . . . A 62 CYS HA . 25675 1 670 . 1 1 62 62 CYS HB2 H 1 2.744 0.020 . 2 . . . A 62 CYS HB2 . 25675 1 671 . 1 1 62 62 CYS HB3 H 1 2.837 0.020 . 2 . . . A 62 CYS HB3 . 25675 1 672 . 1 1 62 62 CYS C C 13 174.242 0.400 . 1 . . . A 62 CYS C . 25675 1 673 . 1 1 62 62 CYS CA C 13 58.084 0.400 . 1 . . . A 62 CYS CA . 25675 1 674 . 1 1 62 62 CYS CB C 13 29.256 0.400 . 1 . . . A 62 CYS CB . 25675 1 675 . 1 1 62 62 CYS N N 15 116.568 0.400 . 1 . . . A 62 CYS N . 25675 1 676 . 1 1 63 63 MET H H 1 8.733 0.020 . 1 . . . A 63 MET H . 25675 1 677 . 1 1 63 63 MET HA H 1 4.095 0.020 . 1 . . . A 63 MET HA . 25675 1 678 . 1 1 63 63 MET HB2 H 1 2.000 0.020 . 2 . . . A 63 MET HB2 . 25675 1 679 . 1 1 63 63 MET HB3 H 1 2.000 0.020 . 2 . . . A 63 MET HB3 . 25675 1 680 . 1 1 63 63 MET HG2 H 1 2.555 0.020 . 2 . . . A 63 MET HG2 . 25675 1 681 . 1 1 63 63 MET HG3 H 1 2.555 0.020 . 2 . . . A 63 MET HG3 . 25675 1 682 . 1 1 63 63 MET C C 13 176.437 0.400 . 1 . . . A 63 MET C . 25675 1 683 . 1 1 63 63 MET CA C 13 54.992 0.400 . 1 . . . A 63 MET CA . 25675 1 684 . 1 1 63 63 MET CB C 13 32.828 0.400 . 1 . . . A 63 MET CB . 25675 1 685 . 1 1 63 63 MET CG C 13 30.859 0.400 . 1 . . . A 63 MET CG . 25675 1 686 . 1 1 63 63 MET N N 15 122.627 0.400 . 1 . . . A 63 MET N . 25675 1 687 . 1 1 64 64 ARG H H 1 8.995 0.020 . 1 . . . A 64 ARG H . 25675 1 688 . 1 1 64 64 ARG HA H 1 4.467 0.020 . 1 . . . A 64 ARG HA . 25675 1 689 . 1 1 64 64 ARG HB2 H 1 1.477 0.020 . 2 . . . A 64 ARG HB2 . 25675 1 690 . 1 1 64 64 ARG HB3 H 1 1.477 0.020 . 2 . . . A 64 ARG HB3 . 25675 1 691 . 1 1 64 64 ARG HG2 H 1 0.998 0.020 . 2 . . . A 64 ARG HG2 . 25675 1 692 . 1 1 64 64 ARG HG3 H 1 0.998 0.020 . 2 . . . A 64 ARG HG3 . 25675 1 693 . 1 1 64 64 ARG HD2 H 1 3.128 0.020 . 2 . . . A 64 ARG HD2 . 25675 1 694 . 1 1 64 64 ARG HD3 H 1 3.182 0.020 . 2 . . . A 64 ARG HD3 . 25675 1 695 . 1 1 64 64 ARG HE H 1 7.118 0.020 . 1 . . . A 64 ARG HE . 25675 1 696 . 1 1 64 64 ARG C C 13 174.618 0.400 . 1 . . . A 64 ARG C . 25675 1 697 . 1 1 64 64 ARG CA C 13 53.788 0.400 . 1 . . . A 64 ARG CA . 25675 1 698 . 1 1 64 64 ARG CB C 13 33.535 0.400 . 1 . . . A 64 ARG CB . 25675 1 699 . 1 1 64 64 ARG CG C 13 26.634 0.400 . 1 . . . A 64 ARG CG . 25675 1 700 . 1 1 64 64 ARG CD C 13 43.008 0.400 . 1 . . . A 64 ARG CD . 25675 1 701 . 1 1 64 64 ARG N N 15 124.300 0.400 . 1 . . . A 64 ARG N . 25675 1 702 . 1 1 64 64 ARG NE N 15 84.526 0.400 . 1 . . . A 64 ARG NE . 25675 1 703 . 1 1 65 65 GLY H H 1 8.474 0.020 . 1 . . . A 65 GLY H . 25675 1 704 . 1 1 65 65 GLY HA2 H 1 3.702 0.020 . 2 . . . A 65 GLY HA2 . 25675 1 705 . 1 1 65 65 GLY HA3 H 1 3.702 0.020 . 2 . . . A 65 GLY HA3 . 25675 1 706 . 1 1 65 65 GLY C C 13 174.589 0.400 . 1 . . . A 65 GLY C . 25675 1 707 . 1 1 65 65 GLY N N 15 107.0 0.400 . 1 . . . A 65 GLY N . 25675 1 708 . 1 1 66 66 VAL H H 1 8.313 0.020 . 1 . . . A 66 VAL H . 25675 1 709 . 1 1 66 66 VAL HA H 1 4.195 0.020 . 1 . . . A 66 VAL HA . 25675 1 710 . 1 1 66 66 VAL HB H 1 1.983 0.020 . 1 . . . A 66 VAL HB . 25675 1 711 . 1 1 66 66 VAL HG11 H 1 1.193 0.020 . 2 . . . A 66 VAL HG11 . 25675 1 712 . 1 1 66 66 VAL HG12 H 1 1.193 0.020 . 2 . . . A 66 VAL HG12 . 25675 1 713 . 1 1 66 66 VAL HG13 H 1 1.193 0.020 . 2 . . . A 66 VAL HG13 . 25675 1 714 . 1 1 66 66 VAL HG21 H 1 1.203 0.020 . 2 . . . A 66 VAL HG21 . 25675 1 715 . 1 1 66 66 VAL HG22 H 1 1.203 0.020 . 2 . . . A 66 VAL HG22 . 25675 1 716 . 1 1 66 66 VAL HG23 H 1 1.203 0.020 . 2 . . . A 66 VAL HG23 . 25675 1 717 . 1 1 66 66 VAL C C 13 176.220 0.400 . 1 . . . A 66 VAL C . 25675 1 718 . 1 1 66 66 VAL CA C 13 62.477 0.400 . 1 . . . A 66 VAL CA . 25675 1 719 . 1 1 66 66 VAL CB C 13 32.677 0.400 . 1 . . . A 66 VAL CB . 25675 1 720 . 1 1 66 66 VAL CG1 C 13 24.858 0.400 . 2 . . . A 66 VAL CG1 . 25675 1 721 . 1 1 66 66 VAL CG2 C 13 23.375 0.400 . 2 . . . A 66 VAL CG2 . 25675 1 722 . 1 1 66 66 VAL N N 15 124.050 0.400 . 1 . . . A 66 VAL N . 25675 1 723 . 1 1 67 67 ARG H H 1 9.314 0.020 . 1 . . . A 67 ARG H . 25675 1 724 . 1 1 67 67 ARG HA H 1 4.048 0.020 . 1 . . . A 67 ARG HA . 25675 1 725 . 1 1 67 67 ARG HB2 H 1 1.753 0.020 . 2 . . . A 67 ARG HB2 . 25675 1 726 . 1 1 67 67 ARG HB3 H 1 1.753 0.020 . 2 . . . A 67 ARG HB3 . 25675 1 727 . 1 1 67 67 ARG HG2 H 1 1.353 0.020 . 2 . . . A 67 ARG HG2 . 25675 1 728 . 1 1 67 67 ARG HG3 H 1 1.353 0.020 . 2 . . . A 67 ARG HG3 . 25675 1 729 . 1 1 67 67 ARG HD2 H 1 2.997 0.020 . 2 . . . A 67 ARG HD2 . 25675 1 730 . 1 1 67 67 ARG HD3 H 1 3.085 0.020 . 2 . . . A 67 ARG HD3 . 25675 1 731 . 1 1 67 67 ARG HE H 1 7.133 0.020 . 1 . . . A 67 ARG HE . 25675 1 732 . 1 1 67 67 ARG C C 13 173.497 0.400 . 1 . . . A 67 ARG C . 25675 1 733 . 1 1 67 67 ARG CA C 13 58.376 0.400 . 1 . . . A 67 ARG CA . 25675 1 734 . 1 1 67 67 ARG CB C 13 30.932 0.400 . 1 . . . A 67 ARG CB . 25675 1 735 . 1 1 67 67 ARG CG C 13 27.528 0.400 . 1 . . . A 67 ARG CG . 25675 1 736 . 1 1 67 67 ARG CD C 13 43.275 0.400 . 1 . . . A 67 ARG CD . 25675 1 737 . 1 1 67 67 ARG N N 15 131.490 0.400 . 1 . . . A 67 ARG N . 25675 1 738 . 1 1 67 67 ARG NE N 15 84.069 0.400 . 1 . . . A 67 ARG NE . 25675 1 739 . 1 1 68 68 LEU H H 1 8.299 0.020 . 1 . . . A 68 LEU H . 25675 1 740 . 1 1 68 68 LEU HA H 1 5.204 0.020 . 1 . . . A 68 LEU HA . 25675 1 741 . 1 1 68 68 LEU HB2 H 1 1.489 0.020 . 2 . . . A 68 LEU HB2 . 25675 1 742 . 1 1 68 68 LEU HB3 H 1 1.934 0.020 . 2 . . . A 68 LEU HB3 . 25675 1 743 . 1 1 68 68 LEU HG H 1 1.026 0.020 . 1 . . . A 68 LEU HG . 25675 1 744 . 1 1 68 68 LEU HD11 H 1 0.710 0.020 . 2 . . . A 68 LEU HD11 . 25675 1 745 . 1 1 68 68 LEU HD12 H 1 0.710 0.020 . 2 . . . A 68 LEU HD12 . 25675 1 746 . 1 1 68 68 LEU HD13 H 1 0.710 0.020 . 2 . . . A 68 LEU HD13 . 25675 1 747 . 1 1 68 68 LEU HD21 H 1 0.725 0.020 . 2 . . . A 68 LEU HD21 . 25675 1 748 . 1 1 68 68 LEU HD22 H 1 0.725 0.020 . 2 . . . A 68 LEU HD22 . 25675 1 749 . 1 1 68 68 LEU HD23 H 1 0.725 0.020 . 2 . . . A 68 LEU HD23 . 25675 1 750 . 1 1 68 68 LEU C C 13 175.950 0.400 . 1 . . . A 68 LEU C . 25675 1 751 . 1 1 68 68 LEU CA C 13 53.814 0.400 . 1 . . . A 68 LEU CA . 25675 1 752 . 1 1 68 68 LEU CB C 13 44.093 0.400 . 1 . . . A 68 LEU CB . 25675 1 753 . 1 1 68 68 LEU CG C 13 27.250 0.400 . 1 . . . A 68 LEU CG . 25675 1 754 . 1 1 68 68 LEU CD1 C 13 23.915 0.400 . 2 . . . A 68 LEU CD1 . 25675 1 755 . 1 1 68 68 LEU N N 15 130.230 0.400 . 1 . . . A 68 LEU N . 25675 1 756 . 1 1 69 69 VAL H H 1 9.044 0.020 . 1 . . . A 69 VAL H . 25675 1 757 . 1 1 69 69 VAL HA H 1 4.327 0.020 . 1 . . . A 69 VAL HA . 25675 1 758 . 1 1 69 69 VAL HB H 1 2.024 0.020 . 1 . . . A 69 VAL HB . 25675 1 759 . 1 1 69 69 VAL HG11 H 1 0.950 0.020 . 2 . . . A 69 VAL HG11 . 25675 1 760 . 1 1 69 69 VAL HG12 H 1 0.950 0.020 . 2 . . . A 69 VAL HG12 . 25675 1 761 . 1 1 69 69 VAL HG13 H 1 0.950 0.020 . 2 . . . A 69 VAL HG13 . 25675 1 762 . 1 1 69 69 VAL HG21 H 1 0.826 0.020 . 2 . . . A 69 VAL HG21 . 25675 1 763 . 1 1 69 69 VAL HG22 H 1 0.826 0.020 . 2 . . . A 69 VAL HG22 . 25675 1 764 . 1 1 69 69 VAL HG23 H 1 0.826 0.020 . 2 . . . A 69 VAL HG23 . 25675 1 765 . 1 1 69 69 VAL C C 13 176.155 0.400 . 1 . . . A 69 VAL C . 25675 1 766 . 1 1 69 69 VAL CA C 13 61.354 0.400 . 1 . . . A 69 VAL CA . 25675 1 767 . 1 1 69 69 VAL CB C 13 35.105 0.400 . 1 . . . A 69 VAL CB . 25675 1 768 . 1 1 69 69 VAL CG1 C 13 21.152 0.400 . 2 . . . A 69 VAL CG1 . 25675 1 769 . 1 1 69 69 VAL CG2 C 13 20.596 0.400 . 2 . . . A 69 VAL CG2 . 25675 1 770 . 1 1 69 69 VAL N N 15 127.090 0.400 . 1 . . . A 69 VAL N . 25675 1 771 . 1 1 70 70 GLU H H 1 9.646 0.020 . 1 . . . A 70 GLU H . 25675 1 772 . 1 1 70 70 GLU HA H 1 3.916 0.020 . 1 . . . A 70 GLU HA . 25675 1 773 . 1 1 70 70 GLU HB2 H 1 2.045 0.020 . 2 . . . A 70 GLU HB2 . 25675 1 774 . 1 1 70 70 GLU HB3 H 1 2.026 0.020 . 2 . . . A 70 GLU HB3 . 25675 1 775 . 1 1 70 70 GLU HG2 H 1 2.400 0.020 . 2 . . . A 70 GLU HG2 . 25675 1 776 . 1 1 70 70 GLU HG3 H 1 2.400 0.020 . 2 . . . A 70 GLU HG3 . 25675 1 777 . 1 1 70 70 GLU C C 13 175.891 0.400 . 1 . . . A 70 GLU C . 25675 1 778 . 1 1 70 70 GLU CA C 13 56.830 0.400 . 1 . . . A 70 GLU CA . 25675 1 779 . 1 1 70 70 GLU CB C 13 27.190 0.400 . 1 . . . A 70 GLU CB . 25675 1 780 . 1 1 70 70 GLU CG C 13 34.512 0.400 . 1 . . . A 70 GLU CG . 25675 1 781 . 1 1 70 70 GLU N N 15 128.672 0.400 . 1 . . . A 70 GLU N . 25675 1 782 . 1 1 71 71 GLY H H 1 8.417 0.020 . 1 . . . A 71 GLY H . 25675 1 783 . 1 1 71 71 GLY HA2 H 1 3.529 0.020 . 2 . . . A 71 GLY HA2 . 25675 1 784 . 1 1 71 71 GLY HA3 H 1 4.198 0.020 . 2 . . . A 71 GLY HA3 . 25675 1 785 . 1 1 71 71 GLY C C 13 173.327 0.400 . 1 . . . A 71 GLY C . 25675 1 786 . 1 1 71 71 GLY CA C 13 46.048 0.400 . 1 . . . A 71 GLY CA . 25675 1 787 . 1 1 71 71 GLY N N 15 117.967 0.400 . 1 . . . A 71 GLY N . 25675 1 788 . 1 1 72 72 ILE H H 1 8.124 0.020 . 1 . . . A 72 ILE H . 25675 1 789 . 1 1 72 72 ILE HA H 1 4.237 0.020 . 1 . . . A 72 ILE HA . 25675 1 790 . 1 1 72 72 ILE HB H 1 2.163 0.020 . 1 . . . A 72 ILE HB . 25675 1 791 . 1 1 72 72 ILE HG12 H 1 1.046 0.020 . 2 . . . A 72 ILE HG12 . 25675 1 792 . 1 1 72 72 ILE HG13 H 1 1.564 0.020 . 2 . . . A 72 ILE HG13 . 25675 1 793 . 1 1 72 72 ILE HG21 H 1 0.557 0.020 . 1 . . . A 72 ILE HG21 . 25675 1 794 . 1 1 72 72 ILE HG22 H 1 0.557 0.020 . 1 . . . A 72 ILE HG22 . 25675 1 795 . 1 1 72 72 ILE HG23 H 1 0.557 0.020 . 1 . . . A 72 ILE HG23 . 25675 1 796 . 1 1 72 72 ILE HD11 H 1 0.834 0.020 . 1 . . . A 72 ILE HD11 . 25675 1 797 . 1 1 72 72 ILE HD12 H 1 0.834 0.020 . 1 . . . A 72 ILE HD12 . 25675 1 798 . 1 1 72 72 ILE HD13 H 1 0.834 0.020 . 1 . . . A 72 ILE HD13 . 25675 1 799 . 1 1 72 72 ILE C C 13 174.882 0.400 . 1 . . . A 72 ILE C . 25675 1 800 . 1 1 72 72 ILE CA C 13 61.428 0.400 . 1 . . . A 72 ILE CA . 25675 1 801 . 1 1 72 72 ILE CB C 13 38.851 0.400 . 1 . . . A 72 ILE CB . 25675 1 802 . 1 1 72 72 ILE CG1 C 13 26.913 0.400 . 1 . . . A 72 ILE CG1 . 25675 1 803 . 1 1 72 72 ILE CG2 C 13 17.915 0.400 . 1 . . . A 72 ILE CG2 . 25675 1 804 . 1 1 72 72 ILE CD1 C 13 12.335 0.400 . 1 . . . A 72 ILE CD1 . 25675 1 805 . 1 1 72 72 ILE N N 15 123.402 0.400 . 1 . . . A 72 ILE N . 25675 1 806 . 1 1 73 73 LEU H H 1 9.353 0.020 . 1 . . . A 73 LEU H . 25675 1 807 . 1 1 73 73 LEU HA H 1 5.199 0.020 . 1 . . . A 73 LEU HA . 25675 1 808 . 1 1 73 73 LEU HB2 H 1 1.319 0.020 . 2 . . . A 73 LEU HB2 . 25675 1 809 . 1 1 73 73 LEU HB3 H 1 2.225 0.020 . 2 . . . A 73 LEU HB3 . 25675 1 810 . 1 1 73 73 LEU HG H 1 1.543 0.020 . 1 . . . A 73 LEU HG . 25675 1 811 . 1 1 73 73 LEU HD11 H 1 0.852 0.020 . 2 . . . A 73 LEU HD11 . 25675 1 812 . 1 1 73 73 LEU HD12 H 1 0.852 0.020 . 2 . . . A 73 LEU HD12 . 25675 1 813 . 1 1 73 73 LEU HD13 H 1 0.852 0.020 . 2 . . . A 73 LEU HD13 . 25675 1 814 . 1 1 73 73 LEU HD21 H 1 0.596 0.020 . 2 . . . A 73 LEU HD21 . 25675 1 815 . 1 1 73 73 LEU HD22 H 1 0.596 0.020 . 2 . . . A 73 LEU HD22 . 25675 1 816 . 1 1 73 73 LEU HD23 H 1 0.596 0.020 . 2 . . . A 73 LEU HD23 . 25675 1 817 . 1 1 73 73 LEU C C 13 175.932 0.400 . 1 . . . A 73 LEU C . 25675 1 818 . 1 1 73 73 LEU CA C 13 54.245 0.400 . 1 . . . A 73 LEU CA . 25675 1 819 . 1 1 73 73 LEU CB C 13 41.882 0.400 . 1 . . . A 73 LEU CB . 25675 1 820 . 1 1 73 73 LEU CG C 13 28.720 0.400 . 1 . . . A 73 LEU CG . 25675 1 821 . 1 1 73 73 LEU CD1 C 13 26.367 0.400 . 2 . . . A 73 LEU CD1 . 25675 1 822 . 1 1 73 73 LEU CD2 C 13 26.123 0.400 . 2 . . . A 73 LEU CD2 . 25675 1 823 . 1 1 73 73 LEU N N 15 129.380 0.400 . 1 . . . A 73 LEU N . 25675 1 824 . 1 1 74 74 HIS H H 1 8.541 0.020 . 1 . . . A 74 HIS H . 25675 1 825 . 1 1 74 74 HIS HA H 1 4.611 0.020 . 1 . . . A 74 HIS HA . 25675 1 826 . 1 1 74 74 HIS HB2 H 1 2.693 0.020 . 2 . . . A 74 HIS HB2 . 25675 1 827 . 1 1 74 74 HIS HB3 H 1 2.996 0.020 . 2 . . . A 74 HIS HB3 . 25675 1 828 . 1 1 74 74 HIS HE1 H 1 8.691 0.020 . 1 . . . A 74 HIS HE1 . 25675 1 829 . 1 1 74 74 HIS C C 13 172.371 0.400 . 1 . . . A 74 HIS C . 25675 1 830 . 1 1 74 74 HIS CA C 13 53.825 0.400 . 1 . . . A 74 HIS CA . 25675 1 831 . 1 1 74 74 HIS CB C 13 30.851 0.400 . 1 . . . A 74 HIS CB . 25675 1 832 . 1 1 74 74 HIS CE1 C 13 136.823 0.400 . 1 . . . A 74 HIS CE1 . 25675 1 833 . 1 1 74 74 HIS N N 15 120.040 0.400 . 1 . . . A 74 HIS N . 25675 1 834 . 1 1 75 75 ALA H H 1 8.413 0.020 . 1 . . . A 75 ALA H . 25675 1 835 . 1 1 75 75 ALA HA H 1 1.749 0.020 . 1 . . . A 75 ALA HA . 25675 1 836 . 1 1 75 75 ALA HB1 H 1 -0.039 0.020 . 1 . . . A 75 ALA HB1 . 25675 1 837 . 1 1 75 75 ALA HB2 H 1 -0.039 0.020 . 1 . . . A 75 ALA HB2 . 25675 1 838 . 1 1 75 75 ALA HB3 H 1 -0.039 0.020 . 1 . . . A 75 ALA HB3 . 25675 1 839 . 1 1 75 75 ALA CA C 13 49.937 0.400 . 1 . . . A 75 ALA CA . 25675 1 840 . 1 1 75 75 ALA CB C 13 15.948 0.400 . 1 . . . A 75 ALA CB . 25675 1 841 . 1 1 75 75 ALA N N 15 125.980 0.400 . 1 . . . A 75 ALA N . 25675 1 842 . 1 1 76 76 PRO HA H 1 4.282 0.020 . 1 . . . A 76 PRO HA . 25675 1 843 . 1 1 76 76 PRO HB2 H 1 1.590 0.020 . 2 . . . A 76 PRO HB2 . 25675 1 844 . 1 1 76 76 PRO HB3 H 1 1.590 0.020 . 2 . . . A 76 PRO HB3 . 25675 1 845 . 1 1 76 76 PRO HG2 H 1 1.802 0.020 . 2 . . . A 76 PRO HG2 . 25675 1 846 . 1 1 76 76 PRO HG3 H 1 2.337 0.020 . 2 . . . A 76 PRO HG3 . 25675 1 847 . 1 1 76 76 PRO HD2 H 1 2.456 0.020 . 2 . . . A 76 PRO HD2 . 25675 1 848 . 1 1 76 76 PRO HD3 H 1 2.935 0.020 . 2 . . . A 76 PRO HD3 . 25675 1 849 . 1 1 76 76 PRO C C 13 176.185 0.400 . 1 . . . A 76 PRO C . 25675 1 850 . 1 1 76 76 PRO CA C 13 62.281 0.400 . 1 . . . A 76 PRO CA . 25675 1 851 . 1 1 76 76 PRO CB C 13 32.272 0.400 . 1 . . . A 76 PRO CB . 25675 1 852 . 1 1 76 76 PRO CG C 13 27.694 0.400 . 1 . . . A 76 PRO CG . 25675 1 853 . 1 1 76 76 PRO CD C 13 50.907 0.400 . 1 . . . A 76 PRO CD . 25675 1 854 . 1 1 77 77 ASP H H 1 8.454 0.020 . 1 . . . A 77 ASP H . 25675 1 855 . 1 1 77 77 ASP HA H 1 4.090 0.020 . 1 . . . A 77 ASP HA . 25675 1 856 . 1 1 77 77 ASP HB2 H 1 2.536 0.020 . 2 . . . A 77 ASP HB2 . 25675 1 857 . 1 1 77 77 ASP HB3 H 1 2.632 0.020 . 2 . . . A 77 ASP HB3 . 25675 1 858 . 1 1 77 77 ASP C C 13 176.977 0.400 . 1 . . . A 77 ASP C . 25675 1 859 . 1 1 77 77 ASP CA C 13 57.504 0.400 . 1 . . . A 77 ASP CA . 25675 1 860 . 1 1 77 77 ASP CB C 13 39.910 0.400 . 1 . . . A 77 ASP CB . 25675 1 861 . 1 1 77 77 ASP N N 15 122.297 0.400 . 1 . . . A 77 ASP N . 25675 1 862 . 1 1 78 78 ALA H H 1 8.032 0.020 . 1 . . . A 78 ALA H . 25675 1 863 . 1 1 78 78 ALA HA H 1 4.249 0.020 . 1 . . . A 78 ALA HA . 25675 1 864 . 1 1 78 78 ALA HB1 H 1 1.376 0.020 . 1 . . . A 78 ALA HB1 . 25675 1 865 . 1 1 78 78 ALA HB2 H 1 1.376 0.020 . 1 . . . A 78 ALA HB2 . 25675 1 866 . 1 1 78 78 ALA HB3 H 1 1.376 0.020 . 1 . . . A 78 ALA HB3 . 25675 1 867 . 1 1 78 78 ALA C C 13 177.458 0.400 . 1 . . . A 78 ALA C . 25675 1 868 . 1 1 78 78 ALA CA C 13 52.724 0.400 . 1 . . . A 78 ALA CA . 25675 1 869 . 1 1 78 78 ALA CB C 13 18.746 0.400 . 1 . . . A 78 ALA CB . 25675 1 870 . 1 1 78 78 ALA N N 15 118.586 0.400 . 1 . . . A 78 ALA N . 25675 1 871 . 1 1 79 79 GLY H H 1 7.902 0.020 . 1 . . . A 79 GLY H . 25675 1 872 . 1 1 79 79 GLY HA2 H 1 3.354 0.020 . 2 . . . A 79 GLY HA2 . 25675 1 873 . 1 1 79 79 GLY HA3 H 1 4.358 0.020 . 2 . . . A 79 GLY HA3 . 25675 1 874 . 1 1 79 79 GLY C C 13 172.928 0.400 . 1 . . . A 79 GLY C . 25675 1 875 . 1 1 79 79 GLY CA C 13 43.341 0.400 . 1 . . . A 79 GLY CA . 25675 1 876 . 1 1 79 79 GLY N N 15 107.830 0.400 . 1 . . . A 79 GLY N . 25675 1 877 . 1 1 80 80 TRP H H 1 8.389 0.020 . 1 . . . A 80 TRP H . 25675 1 878 . 1 1 80 80 TRP HA H 1 4.535 0.020 . 1 . . . A 80 TRP HA . 25675 1 879 . 1 1 80 80 TRP HB2 H 1 3.103 0.020 . 2 . . . A 80 TRP HB2 . 25675 1 880 . 1 1 80 80 TRP HB3 H 1 3.283 0.020 . 2 . . . A 80 TRP HB3 . 25675 1 881 . 1 1 80 80 TRP HD1 H 1 7.179 0.020 . 1 . . . A 80 TRP HD1 . 25675 1 882 . 1 1 80 80 TRP HE1 H 1 10.082 0.020 . 1 . . . A 80 TRP HE1 . 25675 1 883 . 1 1 80 80 TRP HE3 H 1 7.040 0.020 . 1 . . . A 80 TRP HE3 . 25675 1 884 . 1 1 80 80 TRP HZ2 H 1 6.964 0.020 . 1 . . . A 80 TRP HZ2 . 25675 1 885 . 1 1 80 80 TRP HZ3 H 1 6.015 0.020 . 1 . . . A 80 TRP HZ3 . 25675 1 886 . 1 1 80 80 TRP HH2 H 1 6.314 0.020 . 1 . . . A 80 TRP HH2 . 25675 1 887 . 1 1 80 80 TRP C C 13 180.190 0.400 . 1 . . . A 80 TRP C . 25675 1 888 . 1 1 80 80 TRP CA C 13 58.670 0.400 . 1 . . . A 80 TRP CA . 25675 1 889 . 1 1 80 80 TRP CB C 13 31.086 0.400 . 1 . . . A 80 TRP CB . 25675 1 890 . 1 1 80 80 TRP CD1 C 13 128.300 0.400 . 1 . . . A 80 TRP CD1 . 25675 1 891 . 1 1 80 80 TRP CE3 C 13 118.656 0.400 . 1 . . . A 80 TRP CE3 . 25675 1 892 . 1 1 80 80 TRP CZ2 C 13 114.461 0.400 . 1 . . . A 80 TRP CZ2 . 25675 1 893 . 1 1 80 80 TRP CZ3 C 13 120.543 0.400 . 1 . . . A 80 TRP CZ3 . 25675 1 894 . 1 1 80 80 TRP CH2 C 13 122.828 0.400 . 1 . . . A 80 TRP CH2 . 25675 1 895 . 1 1 80 80 TRP N N 15 119.474 0.400 . 1 . . . A 80 TRP N . 25675 1 896 . 1 1 80 80 TRP NE1 N 15 127.670 0.400 . 1 . . . A 80 TRP NE1 . 25675 1 897 . 1 1 81 81 GLY H H 1 8.519 0.020 . 1 . . . A 81 GLY H . 25675 1 898 . 1 1 81 81 GLY HA2 H 1 3.537 0.020 . 2 . . . A 81 GLY HA2 . 25675 1 899 . 1 1 81 81 GLY HA3 H 1 4.211 0.020 . 2 . . . A 81 GLY HA3 . 25675 1 900 . 1 1 81 81 GLY C C 13 174.110 0.400 . 1 . . . A 81 GLY C . 25675 1 901 . 1 1 81 81 GLY CA C 13 45.879 0.400 . 1 . . . A 81 GLY CA . 25675 1 902 . 1 1 81 81 GLY N N 15 103.130 0.400 . 1 . . . A 81 GLY N . 25675 1 903 . 1 1 82 82 ASN H H 1 8.800 0.020 . 1 . . . A 82 ASN H . 25675 1 904 . 1 1 82 82 ASN HA H 1 5.076 0.020 . 1 . . . A 82 ASN HA . 25675 1 905 . 1 1 82 82 ASN HB2 H 1 2.772 0.020 . 2 . . . A 82 ASN HB2 . 25675 1 906 . 1 1 82 82 ASN HB3 H 1 2.899 0.020 . 2 . . . A 82 ASN HB3 . 25675 1 907 . 1 1 82 82 ASN HD21 H 1 7.559 0.020 . 2 . . . A 82 ASN HD21 . 25675 1 908 . 1 1 82 82 ASN HD22 H 1 6.845 0.020 . 2 . . . A 82 ASN HD22 . 25675 1 909 . 1 1 82 82 ASN C C 13 175.211 0.400 . 1 . . . A 82 ASN C . 25675 1 910 . 1 1 82 82 ASN CA C 13 51.985 0.400 . 1 . . . A 82 ASN CA . 25675 1 911 . 1 1 82 82 ASN CB C 13 38.657 0.400 . 1 . . . A 82 ASN CB . 25675 1 912 . 1 1 82 82 ASN N N 15 120.652 0.400 . 1 . . . A 82 ASN N . 25675 1 913 . 1 1 82 82 ASN ND2 N 15 111.858 0.400 . 1 . . . A 82 ASN ND2 . 25675 1 914 . 1 1 83 83 LEU H H 1 6.883 0.020 . 1 . . . A 83 LEU H . 25675 1 915 . 1 1 83 83 LEU HA H 1 4.129 0.020 . 1 . . . A 83 LEU HA . 25675 1 916 . 1 1 83 83 LEU HB2 H 1 1.073 0.020 . 2 . . . A 83 LEU HB2 . 25675 1 917 . 1 1 83 83 LEU HB3 H 1 1.454 0.020 . 2 . . . A 83 LEU HB3 . 25675 1 918 . 1 1 83 83 LEU HG H 1 1.278 0.020 . 1 . . . A 83 LEU HG . 25675 1 919 . 1 1 83 83 LEU HD11 H 1 1.078 0.020 . 2 . . . A 83 LEU HD11 . 25675 1 920 . 1 1 83 83 LEU HD12 H 1 1.078 0.020 . 2 . . . A 83 LEU HD12 . 25675 1 921 . 1 1 83 83 LEU HD13 H 1 1.078 0.020 . 2 . . . A 83 LEU HD13 . 25675 1 922 . 1 1 83 83 LEU HD21 H 1 0.829 0.020 . 2 . . . A 83 LEU HD21 . 25675 1 923 . 1 1 83 83 LEU HD22 H 1 0.829 0.020 . 2 . . . A 83 LEU HD22 . 25675 1 924 . 1 1 83 83 LEU HD23 H 1 0.829 0.020 . 2 . . . A 83 LEU HD23 . 25675 1 925 . 1 1 83 83 LEU C C 13 174.442 0.400 . 1 . . . A 83 LEU C . 25675 1 926 . 1 1 83 83 LEU CA C 13 54.799 0.400 . 1 . . . A 83 LEU CA . 25675 1 927 . 1 1 83 83 LEU CB C 13 41.857 0.400 . 1 . . . A 83 LEU CB . 25675 1 928 . 1 1 83 83 LEU CG C 13 26.705 0.400 . 1 . . . A 83 LEU CG . 25675 1 929 . 1 1 83 83 LEU CD1 C 13 24.967 0.400 . 2 . . . A 83 LEU CD1 . 25675 1 930 . 1 1 83 83 LEU CD2 C 13 23.756 0.400 . 2 . . . A 83 LEU CD2 . 25675 1 931 . 1 1 83 83 LEU N N 15 118.129 0.400 . 1 . . . A 83 LEU N . 25675 1 932 . 1 1 84 84 VAL H H 1 7.835 0.020 . 1 . . . A 84 VAL H . 25675 1 933 . 1 1 84 84 VAL HA H 1 4.055 0.020 . 1 . . . A 84 VAL HA . 25675 1 934 . 1 1 84 84 VAL HB H 1 1.802 0.020 . 1 . . . A 84 VAL HB . 25675 1 935 . 1 1 84 84 VAL HG11 H 1 0.872 0.020 . 2 . . . A 84 VAL HG11 . 25675 1 936 . 1 1 84 84 VAL HG12 H 1 0.872 0.020 . 2 . . . A 84 VAL HG12 . 25675 1 937 . 1 1 84 84 VAL HG13 H 1 0.872 0.020 . 2 . . . A 84 VAL HG13 . 25675 1 938 . 1 1 84 84 VAL HG21 H 1 0.749 0.020 . 2 . . . A 84 VAL HG21 . 25675 1 939 . 1 1 84 84 VAL HG22 H 1 0.749 0.020 . 2 . . . A 84 VAL HG22 . 25675 1 940 . 1 1 84 84 VAL HG23 H 1 0.749 0.020 . 2 . . . A 84 VAL HG23 . 25675 1 941 . 1 1 84 84 VAL C C 13 174.630 0.400 . 1 . . . A 84 VAL C . 25675 1 942 . 1 1 84 84 VAL CA C 13 62.443 0.400 . 1 . . . A 84 VAL CA . 25675 1 943 . 1 1 84 84 VAL CB C 13 31.958 0.400 . 1 . . . A 84 VAL CB . 25675 1 944 . 1 1 84 84 VAL CG1 C 13 22.157 0.400 . 2 . . . A 84 VAL CG1 . 25675 1 945 . 1 1 84 84 VAL CG2 C 13 21.219 0.400 . 2 . . . A 84 VAL CG2 . 25675 1 946 . 1 1 84 84 VAL N N 15 118.316 0.400 . 1 . . . A 84 VAL N . 25675 1 947 . 1 1 85 85 TYR H H 1 8.886 0.020 . 1 . . . A 85 TYR H . 25675 1 948 . 1 1 85 85 TYR HA H 1 4.697 0.020 . 1 . . . A 85 TYR HA . 25675 1 949 . 1 1 85 85 TYR HB2 H 1 2.789 0.020 . 2 . . . A 85 TYR HB2 . 25675 1 950 . 1 1 85 85 TYR HB3 H 1 2.984 0.020 . 2 . . . A 85 TYR HB3 . 25675 1 951 . 1 1 85 85 TYR HD1 H 1 7.068 0.020 . 3 . . . A 85 TYR HD1 . 25675 1 952 . 1 1 85 85 TYR HD2 H 1 7.068 0.020 . 3 . . . A 85 TYR HD2 . 25675 1 953 . 1 1 85 85 TYR HE1 H 1 6.766 0.020 . 3 . . . A 85 TYR HE1 . 25675 1 954 . 1 1 85 85 TYR HE2 H 1 6.766 0.020 . 3 . . . A 85 TYR HE2 . 25675 1 955 . 1 1 85 85 TYR C C 13 174.313 0.400 . 1 . . . A 85 TYR C . 25675 1 956 . 1 1 85 85 TYR CA C 13 58.121 0.400 . 1 . . . A 85 TYR CA . 25675 1 957 . 1 1 85 85 TYR CB C 13 40.540 0.400 . 1 . . . A 85 TYR CB . 25675 1 958 . 1 1 85 85 TYR CD1 C 13 133.746 0.400 . 3 . . . A 85 TYR CD1 . 25675 1 959 . 1 1 85 85 TYR CE1 C 13 118.227 0.400 . 3 . . . A 85 TYR CE1 . 25675 1 960 . 1 1 85 85 TYR N N 15 128.110 0.400 . 1 . . . A 85 TYR N . 25675 1 961 . 1 1 86 86 VAL H H 1 9.473 0.020 . 1 . . . A 86 VAL H . 25675 1 962 . 1 1 86 86 VAL HA H 1 4.755 0.020 . 1 . . . A 86 VAL HA . 25675 1 963 . 1 1 86 86 VAL HB H 1 1.624 0.020 . 1 . . . A 86 VAL HB . 25675 1 964 . 1 1 86 86 VAL HG11 H 1 0.693 0.020 . 2 . . . A 86 VAL HG11 . 25675 1 965 . 1 1 86 86 VAL HG12 H 1 0.693 0.020 . 2 . . . A 86 VAL HG12 . 25675 1 966 . 1 1 86 86 VAL HG13 H 1 0.693 0.020 . 2 . . . A 86 VAL HG13 . 25675 1 967 . 1 1 86 86 VAL HG21 H 1 0.840 0.020 . 2 . . . A 86 VAL HG21 . 25675 1 968 . 1 1 86 86 VAL HG22 H 1 0.840 0.020 . 2 . . . A 86 VAL HG22 . 25675 1 969 . 1 1 86 86 VAL HG23 H 1 0.840 0.020 . 2 . . . A 86 VAL HG23 . 25675 1 970 . 1 1 86 86 VAL C C 13 176.531 0.400 . 1 . . . A 86 VAL C . 25675 1 971 . 1 1 86 86 VAL CA C 13 59.999 0.400 . 1 . . . A 86 VAL CA . 25675 1 972 . 1 1 86 86 VAL CB C 13 33.419 0.400 . 1 . . . A 86 VAL CB . 25675 1 973 . 1 1 86 86 VAL CG1 C 13 21.282 0.400 . 1 . . . A 86 VAL CG1 . 25675 1 974 . 1 1 86 86 VAL N N 15 122.593 0.400 . 1 . . . A 86 VAL N . 25675 1 975 . 1 1 87 87 VAL H H 1 7.864 0.020 . 1 . . . A 87 VAL H . 25675 1 976 . 1 1 87 87 VAL HA H 1 3.787 0.020 . 1 . . . A 87 VAL HA . 25675 1 977 . 1 1 87 87 VAL HB H 1 1.391 0.020 . 1 . . . A 87 VAL HB . 25675 1 978 . 1 1 87 87 VAL HG11 H 1 0.108 0.020 . 2 . . . A 87 VAL HG11 . 25675 1 979 . 1 1 87 87 VAL HG12 H 1 0.108 0.020 . 2 . . . A 87 VAL HG12 . 25675 1 980 . 1 1 87 87 VAL HG13 H 1 0.108 0.020 . 2 . . . A 87 VAL HG13 . 25675 1 981 . 1 1 87 87 VAL HG21 H 1 0.364 0.020 . 2 . . . A 87 VAL HG21 . 25675 1 982 . 1 1 87 87 VAL HG22 H 1 0.364 0.020 . 2 . . . A 87 VAL HG22 . 25675 1 983 . 1 1 87 87 VAL HG23 H 1 0.364 0.020 . 2 . . . A 87 VAL HG23 . 25675 1 984 . 1 1 87 87 VAL C C 13 174.735 0.400 . 1 . . . A 87 VAL C . 25675 1 985 . 1 1 87 87 VAL CA C 13 63.726 0.400 . 1 . . . A 87 VAL CA . 25675 1 986 . 1 1 87 87 VAL CB C 13 32.723 0.400 . 1 . . . A 87 VAL CB . 25675 1 987 . 1 1 87 87 VAL CG1 C 13 22.049 0.400 . 2 . . . A 87 VAL CG1 . 25675 1 988 . 1 1 87 87 VAL CG2 C 13 21.340 0.400 . 2 . . . A 87 VAL CG2 . 25675 1 989 . 1 1 87 87 VAL N N 15 124.298 0.400 . 1 . . . A 87 VAL N . 25675 1 990 . 1 1 88 88 ASN H H 1 7.786 0.020 . 1 . . . A 88 ASN H . 25675 1 991 . 1 1 88 88 ASN HA H 1 4.774 0.020 . 1 . . . A 88 ASN HA . 25675 1 992 . 1 1 88 88 ASN HB2 H 1 2.130 0.020 . 2 . . . A 88 ASN HB2 . 25675 1 993 . 1 1 88 88 ASN HB3 H 1 2.475 0.020 . 2 . . . A 88 ASN HB3 . 25675 1 994 . 1 1 88 88 ASN HD21 H 1 7.223 0.020 . 2 . . . A 88 ASN HD21 . 25675 1 995 . 1 1 88 88 ASN HD22 H 1 6.368 0.020 . 2 . . . A 88 ASN HD22 . 25675 1 996 . 1 1 88 88 ASN C C 13 172.900 0.400 . 1 . . . A 88 ASN C . 25675 1 997 . 1 1 88 88 ASN CA C 13 51.332 0.400 . 1 . . . A 88 ASN CA . 25675 1 998 . 1 1 88 88 ASN CB C 13 40.773 0.400 . 1 . . . A 88 ASN CB . 25675 1 999 . 1 1 88 88 ASN N N 15 123.146 0.400 . 1 . . . A 88 ASN N . 25675 1 1000 . 1 1 88 88 ASN ND2 N 15 110.392 0.400 . 1 . . . A 88 ASN ND2 . 25675 1 1001 . 1 1 89 89 TYR H H 1 8.398 0.020 . 1 . . . A 89 TYR H . 25675 1 1002 . 1 1 89 89 TYR HA H 1 4.514 0.020 . 1 . . . A 89 TYR HA . 25675 1 1003 . 1 1 89 89 TYR HB2 H 1 2.546 0.020 . 2 . . . A 89 TYR HB2 . 25675 1 1004 . 1 1 89 89 TYR HB3 H 1 3.203 0.020 . 2 . . . A 89 TYR HB3 . 25675 1 1005 . 1 1 89 89 TYR HD1 H 1 6.972 0.020 . 3 . . . A 89 TYR HD1 . 25675 1 1006 . 1 1 89 89 TYR HD2 H 1 6.972 0.020 . 3 . . . A 89 TYR HD2 . 25675 1 1007 . 1 1 89 89 TYR HE1 H 1 6.610 0.020 . 3 . . . A 89 TYR HE1 . 25675 1 1008 . 1 1 89 89 TYR HE2 H 1 6.610 0.020 . 3 . . . A 89 TYR HE2 . 25675 1 1009 . 1 1 89 89 TYR CA C 13 59.610 0.400 . 1 . . . A 89 TYR CA . 25675 1 1010 . 1 1 89 89 TYR CB C 13 40.519 0.400 . 1 . . . A 89 TYR CB . 25675 1 1011 . 1 1 89 89 TYR CD2 C 13 133.042 0.400 . 3 . . . A 89 TYR CD2 . 25675 1 1012 . 1 1 89 89 TYR CE2 C 13 118.004 0.400 . 3 . . . A 89 TYR CE2 . 25675 1 1013 . 1 1 89 89 TYR N N 15 126.770 0.400 . 1 . . . A 89 TYR N . 25675 1 stop_ save_