data_25732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25732 _Entry.Title ; Solution structure of the cyanobacterial cytochrome b6f complex subunit PetP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-29 _Entry.Accession_date 2015-08-13 _Entry.Last_release_date 2016-04-12 _Entry.Original_release_date 2016-04-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sebastian Veit . . . . 25732 2 Takahisa Ikegami . . . . 25732 3 Matthias Roegner . . . . 25732 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' . 25732 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PetP . 25732 'SH3 domain' . 25732 'Thermosynechococcus elongatus' . 25732 cyanobacteria . 25732 'cytochrome b6f complex' . 25732 photosynthesis . 25732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 25732 '15N chemical shifts' 83 25732 '1H chemical shifts' 543 25732 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 . . 2016-08-09 2015-07-29 update BMRB 'update entry citation' 25732 1 . . 2016-04-12 2015-07-29 original author 'original release' 25732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N5U 'BMRB Entry Tracking System' 25732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27033306 _Citation.Full_citation . _Citation.Title ; The cyanobacterial cytochrome b6f subunit PetP adopts an SH3 fold in solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1857 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 705 _Citation.Page_last 714 _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 Sebastian Veit . . . . 25732 1 2 Aritaka Nagadoi . . . . 25732 1 3 Matthias Rogner . . . . 25732 1 4 Sascha Rexroth . . . . 25732 1 5 Raphael Stoll . . . . 25732 1 6 Takahisa Ikegami . . . . 25732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25732 _Assembly.ID 1 _Assembly.Name PetP _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 PetP 1 $PetP A . yes native no no . . . 25732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PetP _Entity.Sf_category entity _Entity.Sf_framecode PetP _Entity.Entry_ID 25732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PetP _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 ; MASWSHPQFEKIEGRMDVGQ KVRVCRIRDRVAQDIIQKLG QVGQITGFKMTDGSGVGVIV TFDDRSSTWFFEDEVEVVG ; _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 79 _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 8916.176 _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 -14 MET . 25732 1 2 -13 ALA . 25732 1 3 -12 SER . 25732 1 4 -11 TRP . 25732 1 5 -10 SER . 25732 1 6 -9 HIS . 25732 1 7 -8 PRO . 25732 1 8 -7 GLN . 25732 1 9 -6 PHE . 25732 1 10 -5 GLU . 25732 1 11 -4 LYS . 25732 1 12 -3 ILE . 25732 1 13 -2 GLU . 25732 1 14 -1 GLY . 25732 1 15 0 ARG . 25732 1 16 1 MET . 25732 1 17 2 ASP . 25732 1 18 3 VAL . 25732 1 19 4 GLY . 25732 1 20 5 GLN . 25732 1 21 6 LYS . 25732 1 22 7 VAL . 25732 1 23 8 ARG . 25732 1 24 9 VAL . 25732 1 25 10 CYS . 25732 1 26 11 ARG . 25732 1 27 12 ILE . 25732 1 28 13 ARG . 25732 1 29 14 ASP . 25732 1 30 15 ARG . 25732 1 31 16 VAL . 25732 1 32 17 ALA . 25732 1 33 18 GLN . 25732 1 34 19 ASP . 25732 1 35 20 ILE . 25732 1 36 21 ILE . 25732 1 37 22 GLN . 25732 1 38 23 LYS . 25732 1 39 24 LEU . 25732 1 40 25 GLY . 25732 1 41 26 GLN . 25732 1 42 27 VAL . 25732 1 43 28 GLY . 25732 1 44 29 GLN . 25732 1 45 30 ILE . 25732 1 46 31 THR . 25732 1 47 32 GLY . 25732 1 48 33 PHE . 25732 1 49 34 LYS . 25732 1 50 35 MET . 25732 1 51 36 THR . 25732 1 52 37 ASP . 25732 1 53 38 GLY . 25732 1 54 39 SER . 25732 1 55 40 GLY . 25732 1 56 41 VAL . 25732 1 57 42 GLY . 25732 1 58 43 VAL . 25732 1 59 44 ILE . 25732 1 60 45 VAL . 25732 1 61 46 THR . 25732 1 62 47 PHE . 25732 1 63 48 ASP . 25732 1 64 49 ASP . 25732 1 65 50 ARG . 25732 1 66 51 SER . 25732 1 67 52 SER . 25732 1 68 53 THR . 25732 1 69 54 TRP . 25732 1 70 55 PHE . 25732 1 71 56 PHE . 25732 1 72 57 GLU . 25732 1 73 58 ASP . 25732 1 74 59 GLU . 25732 1 75 60 VAL . 25732 1 76 61 GLU . 25732 1 77 62 VAL . 25732 1 78 63 VAL . 25732 1 79 64 GLY . 25732 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 25732 1 . ALA 2 2 25732 1 . SER 3 3 25732 1 . TRP 4 4 25732 1 . SER 5 5 25732 1 . HIS 6 6 25732 1 . PRO 7 7 25732 1 . GLN 8 8 25732 1 . PHE 9 9 25732 1 . GLU 10 10 25732 1 . LYS 11 11 25732 1 . ILE 12 12 25732 1 . GLU 13 13 25732 1 . GLY 14 14 25732 1 . ARG 15 15 25732 1 . MET 16 16 25732 1 . ASP 17 17 25732 1 . VAL 18 18 25732 1 . GLY 19 19 25732 1 . GLN 20 20 25732 1 . LYS 21 21 25732 1 . VAL 22 22 25732 1 . ARG 23 23 25732 1 . VAL 24 24 25732 1 . CYS 25 25 25732 1 . ARG 26 26 25732 1 . ILE 27 27 25732 1 . ARG 28 28 25732 1 . ASP 29 29 25732 1 . ARG 30 30 25732 1 . VAL 31 31 25732 1 . ALA 32 32 25732 1 . GLN 33 33 25732 1 . ASP 34 34 25732 1 . ILE 35 35 25732 1 . ILE 36 36 25732 1 . GLN 37 37 25732 1 . LYS 38 38 25732 1 . LEU 39 39 25732 1 . GLY 40 40 25732 1 . GLN 41 41 25732 1 . VAL 42 42 25732 1 . GLY 43 43 25732 1 . GLN 44 44 25732 1 . ILE 45 45 25732 1 . THR 46 46 25732 1 . GLY 47 47 25732 1 . PHE 48 48 25732 1 . LYS 49 49 25732 1 . MET 50 50 25732 1 . THR 51 51 25732 1 . ASP 52 52 25732 1 . GLY 53 53 25732 1 . SER 54 54 25732 1 . GLY 55 55 25732 1 . VAL 56 56 25732 1 . GLY 57 57 25732 1 . VAL 58 58 25732 1 . ILE 59 59 25732 1 . VAL 60 60 25732 1 . THR 61 61 25732 1 . PHE 62 62 25732 1 . ASP 63 63 25732 1 . ASP 64 64 25732 1 . ARG 65 65 25732 1 . SER 66 66 25732 1 . SER 67 67 25732 1 . THR 68 68 25732 1 . TRP 69 69 25732 1 . PHE 70 70 25732 1 . PHE 71 71 25732 1 . GLU 72 72 25732 1 . ASP 73 73 25732 1 . GLU 74 74 25732 1 . VAL 75 75 25732 1 . GLU 76 76 25732 1 . VAL 77 77 25732 1 . VAL 78 78 25732 1 . GLY 79 79 25732 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 25732 _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 $PetP . 197221 organism . 'Thermosynechococcus elongatus BP-1' 'Thermosynechococcus elongatus BP-1' . . Bacteria . Thermosynechococcus 'Thermosynechococcus elongatus' . . . . . . . . . . . tsr0524 . 25732 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 25732 _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 $PetP . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli BL21 . . . . . pASK-IBA7 . . . 25732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_buffer _Sample.Sf_category sample _Sample.Sf_framecode sample_buffer _Sample.Entry_ID 25732 _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 PetP '[U-13C; U-15N]' . . 1 $PetP . protein . 0.1 0.5 mM . . . . 25732 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25732 1 3 DTT [U-2H] . . . . . . 10 . . mM . . . . 25732 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25732 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25732 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition _Sample_condition_list.Entry_ID 25732 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25732 1 pH 6.5 . pH 25732 1 pressure 1 . atm 25732 1 temperature 298 . K 25732 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25732 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25732 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25732 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25732 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25732 2 stop_ save_ save_XPLOR _Software.Sf_category software _Software.Sf_framecode XPLOR _Software.Entry_ID 25732 _Software.ID 3 _Software.Name XPLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25732 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25732 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '3D 1H-13C NOESY aromatic' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25732 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details '2D 1H-13C HSQC' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX-600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25732 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details '2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX-400 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 25732 _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 . 950 '3D 1H-15N NOESY, 3D 1H-13C NOESY alliphatic' . . 25732 1 2 spectrometer_2 Bruker Avance . 800 '3D 1H-13C NOESY aromatic' . . 25732 1 3 spectrometer_3 Bruker DRX . 600 '2D 1H-13C HSQC' . . 25732 1 4 spectrometer_4 Bruker DRX . 400 '2D 1H-13C HSQC, 3D CBCA(CO)NH, 3D HNCACB, 3D HN(CA)CO' . . 25732 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 25732 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25732 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25732 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25732 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25732 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25732 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25732 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25732 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25732 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25732 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25732 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25732 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25732 1 13 '3D HNCA' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25732 1 14 '3D HNCACB' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25732 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25732 1 16 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25732 1 17 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25732 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25732 1 19 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_buffer isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25732 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shifts _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shifts _Chem_shift_reference.Entry_ID 25732 _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 carbon' . . . . ppm 0 external indirect 0.251449530 . . . . . 25732 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25732 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 25732 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25732 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shifts _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 4 '2D 1H-15N HSQC' 1 $sample_buffer isotropic 25732 1 5 '2D 1H-13C HSQC aliphatic' 1 $sample_buffer isotropic 25732 1 6 '2D 1H-13C HSQC aromatic' 1 $sample_buffer isotropic 25732 1 7 '2D 1H-13C HSQC aliphatic' 1 $sample_buffer isotropic 25732 1 8 '2D 1H-13C HSQC aromatic' 1 $sample_buffer isotropic 25732 1 10 '3D CBCA(CO)NH' 1 $sample_buffer isotropic 25732 1 11 '3D C(CO)NH' 1 $sample_buffer isotropic 25732 1 12 '3D HNCO' 1 $sample_buffer isotropic 25732 1 13 '3D HNCA' 1 $sample_buffer isotropic 25732 1 14 '3D HNCACB' 1 $sample_buffer isotropic 25732 1 15 '3D HBHA(CO)NH' 1 $sample_buffer isotropic 25732 1 16 '3D HN(CA)CO' 1 $sample_buffer isotropic 25732 1 17 '3D H(CCO)NH' 1 $sample_buffer isotropic 25732 1 18 '3D HCCH-TOCSY' 1 $sample_buffer isotropic 25732 1 19 '3D HCCH-COSY' 1 $sample_buffer isotropic 25732 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.111 0.000 . . . . . A -14 MET HE1 . 25732 1 2 . 1 1 1 1 MET HE2 H 1 2.111 0.000 . . . . . A -14 MET HE2 . 25732 1 3 . 1 1 1 1 MET HE3 H 1 2.111 0.000 . . . . . A -14 MET HE3 . 25732 1 4 . 1 1 1 1 MET CE C 13 17.227 0.000 . . . . . A -14 MET CE . 25732 1 5 . 1 1 2 2 ALA HA H 1 4.001 0.000 . . . . . A -13 ALA HA . 25732 1 6 . 1 1 2 2 ALA HB1 H 1 1.296 0.000 . . . . . A -13 ALA HB1 . 25732 1 7 . 1 1 2 2 ALA HB2 H 1 1.296 0.000 . . . . . A -13 ALA HB2 . 25732 1 8 . 1 1 2 2 ALA HB3 H 1 1.296 0.000 . . . . . A -13 ALA HB3 . 25732 1 9 . 1 1 2 2 ALA CA C 13 51.799 0.000 . . . . . A -13 ALA CA . 25732 1 10 . 1 1 2 2 ALA CB C 13 19.314 0.000 . . . . . A -13 ALA CB . 25732 1 11 . 1 1 3 3 SER HA H 1 4.42 0.000 . . . . . A -12 SER HA . 25732 1 12 . 1 1 3 3 SER HB2 H 1 3.779 0.000 . . . . . A -12 SER HB2 . 25732 1 13 . 1 1 3 3 SER HB3 H 1 3.779 0.000 . . . . . A -12 SER HB3 . 25732 1 14 . 1 1 3 3 SER C C 13 173.891 0.000 . . . . . A -12 SER C . 25732 1 15 . 1 1 3 3 SER CA C 13 58.363 0.000 . . . . . A -12 SER CA . 25732 1 16 . 1 1 3 3 SER CB C 13 63.773 0.000 . . . . . A -12 SER CB . 25732 1 17 . 1 1 4 4 TRP H H 1 8.11 0.000 . . . . . A -11 TRP H . 25732 1 18 . 1 1 4 4 TRP HA H 1 4.69 0.000 . . . . . A -11 TRP HA . 25732 1 19 . 1 1 4 4 TRP HB2 H 1 3.214 0.000 . . . . . A -11 TRP HB2 . 25732 1 20 . 1 1 4 4 TRP HB3 H 1 3.245 0.000 . . . . . A -11 TRP HB3 . 25732 1 21 . 1 1 4 4 TRP HD1 H 1 7.196 0.000 . . . . . A -11 TRP HD1 . 25732 1 22 . 1 1 4 4 TRP HE1 H 1 10.144 0.000 . . . . . A -11 TRP HE1 . 25732 1 23 . 1 1 4 4 TRP HE3 H 1 7.534 0.000 . . . . . A -11 TRP HE3 . 25732 1 24 . 1 1 4 4 TRP HZ2 H 1 7.42 0.000 . . . . . A -11 TRP HZ2 . 25732 1 25 . 1 1 4 4 TRP HZ3 H 1 7.05 0.000 . . . . . A -11 TRP HZ3 . 25732 1 26 . 1 1 4 4 TRP HH2 H 1 7.151 0.000 . . . . . A -11 TRP HH2 . 25732 1 27 . 1 1 4 4 TRP C C 13 175.941 0.000 . . . . . A -11 TRP C . 25732 1 28 . 1 1 4 4 TRP CA C 13 57.005 0.000 . . . . . A -11 TRP CA . 25732 1 29 . 1 1 4 4 TRP CB C 13 29.751 0.000 . . . . . A -11 TRP CB . 25732 1 30 . 1 1 4 4 TRP CD1 C 13 127.125 0.000 . . . . . A -11 TRP CD1 . 25732 1 31 . 1 1 4 4 TRP CE3 C 13 120.905 0.000 . . . . . A -11 TRP CE3 . 25732 1 32 . 1 1 4 4 TRP CZ2 C 13 114.456 0.000 . . . . . A -11 TRP CZ2 . 25732 1 33 . 1 1 4 4 TRP CZ3 C 13 121.907 0.000 . . . . . A -11 TRP CZ3 . 25732 1 34 . 1 1 4 4 TRP CH2 C 13 124.533 0.000 . . . . . A -11 TRP CH2 . 25732 1 35 . 1 1 4 4 TRP N N 15 122.436 0.000 . . . . . A -11 TRP N . 25732 1 36 . 1 1 4 4 TRP NE1 N 15 129.626 0.000 . . . . . A -11 TRP NE1 . 25732 1 37 . 1 1 5 5 SER H H 1 8.013 0.000 . . . . . A -10 SER H . 25732 1 38 . 1 1 5 5 SER HA H 1 4.306 0.000 . . . . . A -10 SER HA . 25732 1 39 . 1 1 5 5 SER HB2 H 1 3.61 0.000 . . . . . A -10 SER HB2 . 25732 1 40 . 1 1 5 5 SER HB3 H 1 3.647 0.000 . . . . . A -10 SER HB3 . 25732 1 41 . 1 1 5 5 SER C C 13 173.303 0.000 . . . . . A -10 SER C . 25732 1 42 . 1 1 5 5 SER CA C 13 58.231 0.000 . . . . . A -10 SER CA . 25732 1 43 . 1 1 5 5 SER CB C 13 63.768 0.000 . . . . . A -10 SER CB . 25732 1 44 . 1 1 5 5 SER N N 15 117.323 0.000 . . . . . A -10 SER N . 25732 1 45 . 1 1 6 6 HIS H H 1 8.075 0.000 . . . . . A -9 HIS H . 25732 1 46 . 1 1 6 6 HIS HA H 1 4.722 0.000 . . . . . A -9 HIS HA . 25732 1 47 . 1 1 6 6 HIS HB2 H 1 2.955 0.000 . . . . . A -9 HIS HB2 . 25732 1 48 . 1 1 6 6 HIS HB3 H 1 3.034 0.000 . . . . . A -9 HIS HB3 . 25732 1 49 . 1 1 6 6 HIS HD2 H 1 7.057 0.000 . . . . . A -9 HIS HD2 . 25732 1 50 . 1 1 6 6 HIS HE1 H 1 8.014 0.000 . . . . . A -9 HIS HE1 . 25732 1 51 . 1 1 6 6 HIS CA C 13 54.409 0.000 . . . . . A -9 HIS CA . 25732 1 52 . 1 1 6 6 HIS CB C 13 30.136 0.000 . . . . . A -9 HIS CB . 25732 1 53 . 1 1 6 6 HIS CD2 C 13 120.053 0.000 . . . . . A -9 HIS CD2 . 25732 1 54 . 1 1 6 6 HIS CE1 C 13 137.595 0.000 . . . . . A -9 HIS CE1 . 25732 1 55 . 1 1 6 6 HIS N N 15 121.943 0.000 . . . . . A -9 HIS N . 25732 1 56 . 1 1 7 7 PRO HA H 1 4.309 0.000 . . . . . A -8 PRO HA . 25732 1 57 . 1 1 7 7 PRO HB2 H 1 2.187 0.000 . . . . . A -8 PRO HB2 . 25732 1 58 . 1 1 7 7 PRO HB3 H 1 1.744 0.000 . . . . . A -8 PRO HB3 . 25732 1 59 . 1 1 7 7 PRO HG2 H 1 1.911 0.000 . . . . . A -8 PRO HG2 . 25732 1 60 . 1 1 7 7 PRO HG3 H 1 1.911 0.000 . . . . . A -8 PRO HG3 . 25732 1 61 . 1 1 7 7 PRO HD2 H 1 3.367 0.000 . . . . . A -8 PRO HD2 . 25732 1 62 . 1 1 7 7 PRO HD3 H 1 3.656 0.000 . . . . . A -8 PRO HD3 . 25732 1 63 . 1 1 7 7 PRO C C 13 176.913 0.000 . . . . . A -8 PRO C . 25732 1 64 . 1 1 7 7 PRO CA C 13 63.621 0.000 . . . . . A -8 PRO CA . 25732 1 65 . 1 1 7 7 PRO CB C 13 32.107 0.000 . . . . . A -8 PRO CB . 25732 1 66 . 1 1 7 7 PRO CG C 13 27.411 0.000 . . . . . A -8 PRO CG . 25732 1 67 . 1 1 7 7 PRO CD C 13 50.694 0.000 . . . . . A -8 PRO CD . 25732 1 68 . 1 1 8 8 GLN H H 1 8.76 0.000 . . . . . A -7 GLN H . 25732 1 69 . 1 1 8 8 GLN HA H 1 4.225 0.000 . . . . . A -7 GLN HA . 25732 1 70 . 1 1 8 8 GLN HB2 H 1 1.865 0.000 . . . . . A -7 GLN HB2 . 25732 1 71 . 1 1 8 8 GLN HB3 H 1 1.922 0.000 . . . . . A -7 GLN HB3 . 25732 1 72 . 1 1 8 8 GLN HG2 H 1 2.124 0.000 . . . . . A -7 GLN HG2 . 25732 1 73 . 1 1 8 8 GLN HG3 H 1 2.171 0.000 . . . . . A -7 GLN HG3 . 25732 1 74 . 1 1 8 8 GLN HE21 H 1 7.399 0.000 . . . . . A -7 GLN HE21 . 25732 1 75 . 1 1 8 8 GLN HE22 H 1 6.805 0.000 . . . . . A -7 GLN HE22 . 25732 1 76 . 1 1 8 8 GLN C C 13 175.762 0.000 . . . . . A -7 GLN C . 25732 1 77 . 1 1 8 8 GLN CA C 13 56.198 0.000 . . . . . A -7 GLN CA . 25732 1 78 . 1 1 8 8 GLN CB C 13 29.271 0.000 . . . . . A -7 GLN CB . 25732 1 79 . 1 1 8 8 GLN CG C 13 33.73 0.000 . . . . . A -7 GLN CG . 25732 1 80 . 1 1 8 8 GLN N N 15 120.308 0.000 . . . . . A -7 GLN N . 25732 1 81 . 1 1 8 8 GLN NE2 N 15 112.217 0.000 . . . . . A -7 GLN NE2 . 25732 1 82 . 1 1 9 9 PHE H H 1 8.108 0.000 . . . . . A -6 PHE H . 25732 1 83 . 1 1 9 9 PHE HA H 1 4.634 0.000 . . . . . A -6 PHE HA . 25732 1 84 . 1 1 9 9 PHE HB2 H 1 2.954 0.000 . . . . . A -6 PHE HB2 . 25732 1 85 . 1 1 9 9 PHE HB3 H 1 3.164 0.000 . . . . . A -6 PHE HB3 . 25732 1 86 . 1 1 9 9 PHE HD1 H 1 7.185 0.000 . . . . . A -6 PHE HD1 . 25732 1 87 . 1 1 9 9 PHE HD2 H 1 7.185 0.000 . . . . . A -6 PHE HD2 . 25732 1 88 . 1 1 9 9 PHE HE1 H 1 7.252 0.000 . . . . . A -6 PHE HE1 . 25732 1 89 . 1 1 9 9 PHE HE2 H 1 7.252 0.000 . . . . . A -6 PHE HE2 . 25732 1 90 . 1 1 9 9 PHE HZ H 1 7.198 0.000 . . . . . A -6 PHE HZ . 25732 1 91 . 1 1 9 9 PHE C C 13 175.494 0.000 . . . . . A -6 PHE C . 25732 1 92 . 1 1 9 9 PHE CA C 13 57.514 0.000 . . . . . A -6 PHE CA . 25732 1 93 . 1 1 9 9 PHE CB C 13 39.516 0.000 . . . . . A -6 PHE CB . 25732 1 94 . 1 1 9 9 PHE CD1 C 13 131.751 0.000 . . . . . A -6 PHE CD1 . 25732 1 95 . 1 1 9 9 PHE CD2 C 13 131.751 0.000 . . . . . A -6 PHE CD2 . 25732 1 96 . 1 1 9 9 PHE CE1 C 13 131.311 0.000 . . . . . A -6 PHE CE1 . 25732 1 97 . 1 1 9 9 PHE CE2 C 13 131.311 0.000 . . . . . A -6 PHE CE2 . 25732 1 98 . 1 1 9 9 PHE CZ C 13 129.734 0.000 . . . . . A -6 PHE CZ . 25732 1 99 . 1 1 9 9 PHE N N 15 119.981 0.000 . . . . . A -6 PHE N . 25732 1 100 . 1 1 10 10 GLU H H 1 8.311 0.000 . . . . . A -5 GLU H . 25732 1 101 . 1 1 10 10 GLU HA H 1 4.204 0.000 . . . . . A -5 GLU HA . 25732 1 102 . 1 1 10 10 GLU HB2 H 1 1.886 0.000 . . . . . A -5 GLU HB2 . 25732 1 103 . 1 1 10 10 GLU HB3 H 1 1.995 0.000 . . . . . A -5 GLU HB3 . 25732 1 104 . 1 1 10 10 GLU HG2 H 1 2.194 0.000 . . . . . A -5 GLU HG2 . 25732 1 105 . 1 1 10 10 GLU HG3 H 1 2.194 0.000 . . . . . A -5 GLU HG3 . 25732 1 106 . 1 1 10 10 GLU C C 13 175.928 0.000 . . . . . A -5 GLU C . 25732 1 107 . 1 1 10 10 GLU CA C 13 56.791 0.000 . . . . . A -5 GLU CA . 25732 1 108 . 1 1 10 10 GLU CB C 13 30.522 0.000 . . . . . A -5 GLU CB . 25732 1 109 . 1 1 10 10 GLU CG C 13 36.242 0.000 . . . . . A -5 GLU CG . 25732 1 110 . 1 1 10 10 GLU N N 15 121.769 0.000 . . . . . A -5 GLU N . 25732 1 111 . 1 1 11 11 LYS H H 1 8.223 0.000 . . . . . A -4 LYS H . 25732 1 112 . 1 1 11 11 LYS HA H 1 4.297 0.000 . . . . . A -4 LYS HA . 25732 1 113 . 1 1 11 11 LYS HB2 H 1 1.726 0.000 . . . . . A -4 LYS HB2 . 25732 1 114 . 1 1 11 11 LYS HB3 H 1 1.818 0.000 . . . . . A -4 LYS HB3 . 25732 1 115 . 1 1 11 11 LYS HG2 H 1 1.339 0.000 . . . . . A -4 LYS HG2 . 25732 1 116 . 1 1 11 11 LYS HG3 H 1 1.389 0.000 . . . . . A -4 LYS HG3 . 25732 1 117 . 1 1 11 11 LYS HD2 H 1 1.654 0.000 . . . . . A -4 LYS HD2 . 25732 1 118 . 1 1 11 11 LYS HD3 H 1 1.654 0.000 . . . . . A -4 LYS HD3 . 25732 1 119 . 1 1 11 11 LYS HE2 H 1 2.954 0.000 . . . . . A -4 LYS HE2 . 25732 1 120 . 1 1 11 11 LYS HE3 H 1 2.954 0.000 . . . . . A -4 LYS HE3 . 25732 1 121 . 1 1 11 11 LYS C C 13 176.258 0.000 . . . . . A -4 LYS C . 25732 1 122 . 1 1 11 11 LYS CA C 13 56.318 0.000 . . . . . A -4 LYS CA . 25732 1 123 . 1 1 11 11 LYS CB C 13 32.955 0.000 . . . . . A -4 LYS CB . 25732 1 124 . 1 1 11 11 LYS CG C 13 24.685 0.000 . . . . . A -4 LYS CG . 25732 1 125 . 1 1 11 11 LYS CD C 13 29.078 0.000 . . . . . A -4 LYS CD . 25732 1 126 . 1 1 11 11 LYS CE C 13 42.144 0.000 . . . . . A -4 LYS CE . 25732 1 127 . 1 1 11 11 LYS N N 15 121.469 0.000 . . . . . A -4 LYS N . 25732 1 128 . 1 1 12 12 ILE H H 1 8.16 0.000 . . . . . A -3 ILE H . 25732 1 129 . 1 1 12 12 ILE HA H 1 4.13 0.000 . . . . . A -3 ILE HA . 25732 1 130 . 1 1 12 12 ILE HB H 1 1.766 0.000 . . . . . A -3 ILE HB . 25732 1 131 . 1 1 12 12 ILE HG12 H 1 1.091 0.000 . . . . . A -3 ILE HG12 . 25732 1 132 . 1 1 12 12 ILE HG13 H 1 1.386 0.000 . . . . . A -3 ILE HG13 . 25732 1 133 . 1 1 12 12 ILE HG21 H 1 0.795 0.000 . . . . . A -3 ILE HG21 . 25732 1 134 . 1 1 12 12 ILE HG22 H 1 0.795 0.000 . . . . . A -3 ILE HG22 . 25732 1 135 . 1 1 12 12 ILE HG23 H 1 0.795 0.000 . . . . . A -3 ILE HG23 . 25732 1 136 . 1 1 12 12 ILE HD11 H 1 0.77 0.000 . . . . . A -3 ILE HD11 . 25732 1 137 . 1 1 12 12 ILE HD12 H 1 0.77 0.000 . . . . . A -3 ILE HD12 . 25732 1 138 . 1 1 12 12 ILE HD13 H 1 0.77 0.000 . . . . . A -3 ILE HD13 . 25732 1 139 . 1 1 12 12 ILE C C 13 176.001 0.000 . . . . . A -3 ILE C . 25732 1 140 . 1 1 12 12 ILE CA C 13 61.282 0.000 . . . . . A -3 ILE CA . 25732 1 141 . 1 1 12 12 ILE CB C 13 38.874 0.000 . . . . . A -3 ILE CB . 25732 1 142 . 1 1 12 12 ILE CG1 C 13 27.66 0.000 . . . . . A -3 ILE CG1 . 25732 1 143 . 1 1 12 12 ILE CG2 C 13 17.501 0.000 . . . . . A -3 ILE CG2 . 25732 1 144 . 1 1 12 12 ILE CD1 C 13 13.075 0.000 . . . . . A -3 ILE CD1 . 25732 1 145 . 1 1 12 12 ILE N N 15 122.793 0.000 . . . . . A -3 ILE N . 25732 1 146 . 1 1 13 13 GLU H H 1 8.517 0.000 . . . . . A -2 GLU H . 25732 1 147 . 1 1 13 13 GLU HA H 1 4.236 0.000 . . . . . A -2 GLU HA . 25732 1 148 . 1 1 13 13 GLU HB2 H 1 1.904 0.000 . . . . . A -2 GLU HB2 . 25732 1 149 . 1 1 13 13 GLU HB3 H 1 1.98 0.000 . . . . . A -2 GLU HB3 . 25732 1 150 . 1 1 13 13 GLU HG2 H 1 2.212 0.000 . . . . . A -2 GLU HG2 . 25732 1 151 . 1 1 13 13 GLU HG3 H 1 2.212 0.000 . . . . . A -2 GLU HG3 . 25732 1 152 . 1 1 13 13 GLU C C 13 176.818 0.000 . . . . . A -2 GLU C . 25732 1 153 . 1 1 13 13 GLU CA C 13 57.038 0.000 . . . . . A -2 GLU CA . 25732 1 154 . 1 1 13 13 GLU CB C 13 29.97 0.000 . . . . . A -2 GLU CB . 25732 1 155 . 1 1 13 13 GLU CG C 13 36.234 0.000 . . . . . A -2 GLU CG . 25732 1 156 . 1 1 13 13 GLU N N 15 124.596 0.000 . . . . . A -2 GLU N . 25732 1 157 . 1 1 14 14 GLY H H 1 8.443 0.000 . . . . . A -1 GLY H . 25732 1 158 . 1 1 14 14 GLY HA2 H 1 3.935 0.000 . . . . . A -1 GLY HA2 . 25732 1 159 . 1 1 14 14 GLY HA3 H 1 3.935 0.000 . . . . . A -1 GLY HA3 . 25732 1 160 . 1 1 14 14 GLY C C 13 173.879 0.000 . . . . . A -1 GLY C . 25732 1 161 . 1 1 14 14 GLY CA C 13 45.378 0.000 . . . . . A -1 GLY CA . 25732 1 162 . 1 1 14 14 GLY N N 15 110.384 0.000 . . . . . A -1 GLY N . 25732 1 163 . 1 1 15 15 ARG H H 1 8.194 0.000 . . . . . A 0 ARG H . 25732 1 164 . 1 1 15 15 ARG HA H 1 4.386 0.000 . . . . . A 0 ARG HA . 25732 1 165 . 1 1 15 15 ARG HB2 H 1 1.76 0.000 . . . . . A 0 ARG HB2 . 25732 1 166 . 1 1 15 15 ARG HB3 H 1 1.817 0.000 . . . . . A 0 ARG HB3 . 25732 1 167 . 1 1 15 15 ARG HG2 H 1 1.575 0.000 . . . . . A 0 ARG HG2 . 25732 1 168 . 1 1 15 15 ARG HG3 H 1 1.548 0.000 . . . . . A 0 ARG HG3 . 25732 1 169 . 1 1 15 15 ARG HD2 H 1 3.132 0.000 . . . . . A 0 ARG HD2 . 25732 1 170 . 1 1 15 15 ARG HD3 H 1 3.132 0.000 . . . . . A 0 ARG HD3 . 25732 1 171 . 1 1 15 15 ARG C C 13 176.062 0.000 . . . . . A 0 ARG C . 25732 1 172 . 1 1 15 15 ARG CA C 13 56.247 0.000 . . . . . A 0 ARG CA . 25732 1 173 . 1 1 15 15 ARG CB C 13 31.505 0.000 . . . . . A 0 ARG CB . 25732 1 174 . 1 1 15 15 ARG CG C 13 27.558 0.000 . . . . . A 0 ARG CG . 25732 1 175 . 1 1 15 15 ARG CD C 13 43.29 0.000 . . . . . A 0 ARG CD . 25732 1 176 . 1 1 15 15 ARG N N 15 120.036 0.000 . . . . . A 0 ARG N . 25732 1 177 . 1 1 16 16 MET H H 1 8.254 0.000 . . . . . A 1 MET H . 25732 1 178 . 1 1 16 16 MET HA H 1 4.681 0.000 . . . . . A 1 MET HA . 25732 1 179 . 1 1 16 16 MET HB2 H 1 1.913 0.000 . . . . . A 1 MET HB2 . 25732 1 180 . 1 1 16 16 MET HB3 H 1 1.967 0.000 . . . . . A 1 MET HB3 . 25732 1 181 . 1 1 16 16 MET HG2 H 1 2.419 0.000 . . . . . A 1 MET HG2 . 25732 1 182 . 1 1 16 16 MET HG3 H 1 2.477 0.000 . . . . . A 1 MET HG3 . 25732 1 183 . 1 1 16 16 MET HE1 H 1 2.103 0.000 . . . . . A 1 MET HE1 . 25732 1 184 . 1 1 16 16 MET HE2 H 1 2.103 0.000 . . . . . A 1 MET HE2 . 25732 1 185 . 1 1 16 16 MET HE3 H 1 2.103 0.000 . . . . . A 1 MET HE3 . 25732 1 186 . 1 1 16 16 MET C C 13 173.856 0.000 . . . . . A 1 MET C . 25732 1 187 . 1 1 16 16 MET CA C 13 55.65 0.000 . . . . . A 1 MET CA . 25732 1 188 . 1 1 16 16 MET CB C 13 34.424 0.000 . . . . . A 1 MET CB . 25732 1 189 . 1 1 16 16 MET CG C 13 32.841 0.000 . . . . . A 1 MET CG . 25732 1 190 . 1 1 16 16 MET CE C 13 18.265 0.000 . . . . . A 1 MET CE . 25732 1 191 . 1 1 16 16 MET N N 15 120.588 0.000 . . . . . A 1 MET N . 25732 1 192 . 1 1 17 17 ASP H H 1 8.161 0.000 . . . . . A 2 ASP H . 25732 1 193 . 1 1 17 17 ASP HA H 1 5.134 0.000 . . . . . A 2 ASP HA . 25732 1 194 . 1 1 17 17 ASP HB2 H 1 2.436 0.000 . . . . . A 2 ASP HB2 . 25732 1 195 . 1 1 17 17 ASP HB3 H 1 2.634 0.000 . . . . . A 2 ASP HB3 . 25732 1 196 . 1 1 17 17 ASP C C 13 175.412 0.000 . . . . . A 2 ASP C . 25732 1 197 . 1 1 17 17 ASP CA C 13 52.384 0.000 . . . . . A 2 ASP CA . 25732 1 198 . 1 1 17 17 ASP CB C 13 44.326 0.000 . . . . . A 2 ASP CB . 25732 1 199 . 1 1 17 17 ASP N N 15 119.513 0.000 . . . . . A 2 ASP N . 25732 1 200 . 1 1 18 18 VAL H H 1 8.754 0.000 . . . . . A 3 VAL H . 25732 1 201 . 1 1 18 18 VAL HA H 1 3.266 0.000 . . . . . A 3 VAL HA . 25732 1 202 . 1 1 18 18 VAL HB H 1 1.885 0.000 . . . . . A 3 VAL HB . 25732 1 203 . 1 1 18 18 VAL HG11 H 1 0.832 0.000 . . . . . A 3 VAL HG11 . 25732 1 204 . 1 1 18 18 VAL HG12 H 1 0.832 0.000 . . . . . A 3 VAL HG12 . 25732 1 205 . 1 1 18 18 VAL HG13 H 1 0.832 0.000 . . . . . A 3 VAL HG13 . 25732 1 206 . 1 1 18 18 VAL HG21 H 1 0.832 0.000 . . . . . A 3 VAL HG21 . 25732 1 207 . 1 1 18 18 VAL HG22 H 1 0.832 0.000 . . . . . A 3 VAL HG22 . 25732 1 208 . 1 1 18 18 VAL HG23 H 1 0.832 0.000 . . . . . A 3 VAL HG23 . 25732 1 209 . 1 1 18 18 VAL C C 13 177.1 0.000 . . . . . A 3 VAL C . 25732 1 210 . 1 1 18 18 VAL CA C 13 64.786 0.000 . . . . . A 3 VAL CA . 25732 1 211 . 1 1 18 18 VAL CB C 13 31.509 0.000 . . . . . A 3 VAL CB . 25732 1 212 . 1 1 18 18 VAL CG1 C 13 21.37 0.000 . . . . . A 3 VAL CG1 . 25732 1 213 . 1 1 18 18 VAL CG2 C 13 22.077 0.000 . . . . . A 3 VAL CG2 . 25732 1 214 . 1 1 18 18 VAL N N 15 119.91 0.000 . . . . . A 3 VAL N . 25732 1 215 . 1 1 19 19 GLY H H 1 8.946 0.000 . . . . . A 4 GLY H . 25732 1 216 . 1 1 19 19 GLY HA2 H 1 3.594 0.000 . . . . . A 4 GLY HA2 . 25732 1 217 . 1 1 19 19 GLY HA3 H 1 4.49 0.000 . . . . . A 4 GLY HA3 . 25732 1 218 . 1 1 19 19 GLY C C 13 174.896 0.000 . . . . . A 4 GLY C . 25732 1 219 . 1 1 19 19 GLY CA C 13 44.494 0.000 . . . . . A 4 GLY CA . 25732 1 220 . 1 1 19 19 GLY N N 15 115.523 0.000 . . . . . A 4 GLY N . 25732 1 221 . 1 1 20 20 GLN H H 1 7.723 0.000 . . . . . A 5 GLN H . 25732 1 222 . 1 1 20 20 GLN HA H 1 4.326 0.000 . . . . . A 5 GLN HA . 25732 1 223 . 1 1 20 20 GLN HB2 H 1 2.108 0.000 . . . . . A 5 GLN HB2 . 25732 1 224 . 1 1 20 20 GLN HB3 H 1 2.337 0.000 . . . . . A 5 GLN HB3 . 25732 1 225 . 1 1 20 20 GLN HG2 H 1 2.453 0.000 . . . . . A 5 GLN HG2 . 25732 1 226 . 1 1 20 20 GLN HG3 H 1 2.421 0.000 . . . . . A 5 GLN HG3 . 25732 1 227 . 1 1 20 20 GLN HE21 H 1 6.847 0.000 . . . . . A 5 GLN HE21 . 25732 1 228 . 1 1 20 20 GLN HE22 H 1 7.755 0.000 . . . . . A 5 GLN HE22 . 25732 1 229 . 1 1 20 20 GLN C C 13 175.167 0.000 . . . . . A 5 GLN C . 25732 1 230 . 1 1 20 20 GLN CA C 13 56.845 0.000 . . . . . A 5 GLN CA . 25732 1 231 . 1 1 20 20 GLN CB C 13 30.403 0.000 . . . . . A 5 GLN CB . 25732 1 232 . 1 1 20 20 GLN CG C 13 35.294 0.000 . . . . . A 5 GLN CG . 25732 1 233 . 1 1 20 20 GLN N N 15 119.83 0.000 . . . . . A 5 GLN N . 25732 1 234 . 1 1 20 20 GLN NE2 N 15 112.204 0.000 . . . . . A 5 GLN NE2 . 25732 1 235 . 1 1 21 21 LYS H H 1 8.745 0.000 . . . . . A 6 LYS H . 25732 1 236 . 1 1 21 21 LYS HA H 1 5.085 0.000 . . . . . A 6 LYS HA . 25732 1 237 . 1 1 21 21 LYS HB2 H 1 1.507 0.000 . . . . . A 6 LYS HB2 . 25732 1 238 . 1 1 21 21 LYS HB3 H 1 1.722 0.000 . . . . . A 6 LYS HB3 . 25732 1 239 . 1 1 21 21 LYS HG2 H 1 1.256 0.000 . . . . . A 6 LYS HG2 . 25732 1 240 . 1 1 21 21 LYS HG3 H 1 1.527 0.000 . . . . . A 6 LYS HG3 . 25732 1 241 . 1 1 21 21 LYS HD2 H 1 1.534 0.000 . . . . . A 6 LYS HD2 . 25732 1 242 . 1 1 21 21 LYS HD3 H 1 1.534 0.000 . . . . . A 6 LYS HD3 . 25732 1 243 . 1 1 21 21 LYS HE2 H 1 2.879 0.000 . . . . . A 6 LYS HE2 . 25732 1 244 . 1 1 21 21 LYS HE3 H 1 2.879 0.000 . . . . . A 6 LYS HE3 . 25732 1 245 . 1 1 21 21 LYS C C 13 176.711 0.000 . . . . . A 6 LYS C . 25732 1 246 . 1 1 21 21 LYS CA C 13 55.452 0.000 . . . . . A 6 LYS CA . 25732 1 247 . 1 1 21 21 LYS CB C 13 33.281 0.000 . . . . . A 6 LYS CB . 25732 1 248 . 1 1 21 21 LYS CG C 13 25.174 0.000 . . . . . A 6 LYS CG . 25732 1 249 . 1 1 21 21 LYS CD C 13 29.102 0.000 . . . . . A 6 LYS CD . 25732 1 250 . 1 1 21 21 LYS CE C 13 41.948 0.000 . . . . . A 6 LYS CE . 25732 1 251 . 1 1 21 21 LYS N N 15 122.615 0.000 . . . . . A 6 LYS N . 25732 1 252 . 1 1 22 22 VAL H H 1 8.811 0.000 . . . . . A 7 VAL H . 25732 1 253 . 1 1 22 22 VAL HA H 1 5.344 0.000 . . . . . A 7 VAL HA . 25732 1 254 . 1 1 22 22 VAL HB H 1 1.772 0.000 . . . . . A 7 VAL HB . 25732 1 255 . 1 1 22 22 VAL HG11 H 1 0.752 0.000 . . . . . A 7 VAL HG11 . 25732 1 256 . 1 1 22 22 VAL HG12 H 1 0.752 0.000 . . . . . A 7 VAL HG12 . 25732 1 257 . 1 1 22 22 VAL HG13 H 1 0.752 0.000 . . . . . A 7 VAL HG13 . 25732 1 258 . 1 1 22 22 VAL HG21 H 1 0.449 0.000 . . . . . A 7 VAL HG21 . 25732 1 259 . 1 1 22 22 VAL HG22 H 1 0.449 0.000 . . . . . A 7 VAL HG22 . 25732 1 260 . 1 1 22 22 VAL HG23 H 1 0.449 0.000 . . . . . A 7 VAL HG23 . 25732 1 261 . 1 1 22 22 VAL C C 13 172.77 0.000 . . . . . A 7 VAL C . 25732 1 262 . 1 1 22 22 VAL CA C 13 57.676 0.000 . . . . . A 7 VAL CA . 25732 1 263 . 1 1 22 22 VAL CB C 13 36.314 0.000 . . . . . A 7 VAL CB . 25732 1 264 . 1 1 22 22 VAL CG1 C 13 22.893 0.000 . . . . . A 7 VAL CG1 . 25732 1 265 . 1 1 22 22 VAL CG2 C 13 18.978 0.000 . . . . . A 7 VAL CG2 . 25732 1 266 . 1 1 22 22 VAL N N 15 113.351 0.000 . . . . . A 7 VAL N . 25732 1 267 . 1 1 23 23 ARG H H 1 9.114 0.000 . . . . . A 8 ARG H . 25732 1 268 . 1 1 23 23 ARG HA H 1 5.166 0.000 . . . . . A 8 ARG HA . 25732 1 269 . 1 1 23 23 ARG HB2 H 1 1.433 0.000 . . . . . A 8 ARG HB2 . 25732 1 270 . 1 1 23 23 ARG HB3 H 1 1.671 0.000 . . . . . A 8 ARG HB3 . 25732 1 271 . 1 1 23 23 ARG HG2 H 1 1.178 0.000 . . . . . A 8 ARG HG2 . 25732 1 272 . 1 1 23 23 ARG HG3 H 1 1.178 0.000 . . . . . A 8 ARG HG3 . 25732 1 273 . 1 1 23 23 ARG HD2 H 1 3.103 0.000 . . . . . A 8 ARG HD2 . 25732 1 274 . 1 1 23 23 ARG HD3 H 1 3.066 0.000 . . . . . A 8 ARG HD3 . 25732 1 275 . 1 1 23 23 ARG C C 13 176.287 0.000 . . . . . A 8 ARG C . 25732 1 276 . 1 1 23 23 ARG CA C 13 53.136 0.000 . . . . . A 8 ARG CA . 25732 1 277 . 1 1 23 23 ARG CB C 13 34.138 0.000 . . . . . A 8 ARG CB . 25732 1 278 . 1 1 23 23 ARG CG C 13 27.445 0.000 . . . . . A 8 ARG CG . 25732 1 279 . 1 1 23 23 ARG CD C 13 43.284 0.000 . . . . . A 8 ARG CD . 25732 1 280 . 1 1 23 23 ARG N N 15 120.766 0.000 . . . . . A 8 ARG N . 25732 1 281 . 1 1 24 24 VAL H H 1 8.219 0.000 . . . . . A 9 VAL H . 25732 1 282 . 1 1 24 24 VAL HA H 1 3.905 0.000 . . . . . A 9 VAL HA . 25732 1 283 . 1 1 24 24 VAL HB H 1 2.311 0.000 . . . . . A 9 VAL HB . 25732 1 284 . 1 1 24 24 VAL HG11 H 1 0.573 0.000 . . . . . A 9 VAL HG11 . 25732 1 285 . 1 1 24 24 VAL HG12 H 1 0.573 0.000 . . . . . A 9 VAL HG12 . 25732 1 286 . 1 1 24 24 VAL HG13 H 1 0.573 0.000 . . . . . A 9 VAL HG13 . 25732 1 287 . 1 1 24 24 VAL HG21 H 1 0.337 0.000 . . . . . A 9 VAL HG21 . 25732 1 288 . 1 1 24 24 VAL HG22 H 1 0.337 0.000 . . . . . A 9 VAL HG22 . 25732 1 289 . 1 1 24 24 VAL HG23 H 1 0.337 0.000 . . . . . A 9 VAL HG23 . 25732 1 290 . 1 1 24 24 VAL C C 13 176.341 0.000 . . . . . A 9 VAL C . 25732 1 291 . 1 1 24 24 VAL CA C 13 63.174 0.000 . . . . . A 9 VAL CA . 25732 1 292 . 1 1 24 24 VAL CB C 13 30.452 0.000 . . . . . A 9 VAL CB . 25732 1 293 . 1 1 24 24 VAL CG1 C 13 21.695 0.000 . . . . . A 9 VAL CG1 . 25732 1 294 . 1 1 24 24 VAL CG2 C 13 20.229 0.000 . . . . . A 9 VAL CG2 . 25732 1 295 . 1 1 24 24 VAL N N 15 126.339 0.000 . . . . . A 9 VAL N . 25732 1 296 . 1 1 25 25 CYS H H 1 8.984 0.000 . . . . . A 10 CYS H . 25732 1 297 . 1 1 25 25 CYS HA H 1 4.71 0.000 . . . . . A 10 CYS HA . 25732 1 298 . 1 1 25 25 CYS HB2 H 1 2.595 0.000 . . . . . A 10 CYS HB2 . 25732 1 299 . 1 1 25 25 CYS HB3 H 1 2.906 0.000 . . . . . A 10 CYS HB3 . 25732 1 300 . 1 1 25 25 CYS C C 13 173.817 0.000 . . . . . A 10 CYS C . 25732 1 301 . 1 1 25 25 CYS CA C 13 58.459 0.000 . . . . . A 10 CYS CA . 25732 1 302 . 1 1 25 25 CYS CB C 13 30.189 0.000 . . . . . A 10 CYS CB . 25732 1 303 . 1 1 25 25 CYS N N 15 127.559 0.000 . . . . . A 10 CYS N . 25732 1 304 . 1 1 26 26 ARG H H 1 8.131 0.000 . . . . . A 11 ARG H . 25732 1 305 . 1 1 26 26 ARG HA H 1 4.434 0.000 . . . . . A 11 ARG HA . 25732 1 306 . 1 1 26 26 ARG HB2 H 1 1.762 0.000 . . . . . A 11 ARG HB2 . 25732 1 307 . 1 1 26 26 ARG HB3 H 1 1.97 0.000 . . . . . A 11 ARG HB3 . 25732 1 308 . 1 1 26 26 ARG HG2 H 1 1.415 0.000 . . . . . A 11 ARG HG2 . 25732 1 309 . 1 1 26 26 ARG HG3 H 1 1.571 0.000 . . . . . A 11 ARG HG3 . 25732 1 310 . 1 1 26 26 ARG HD2 H 1 3.154 0.000 . . . . . A 11 ARG HD2 . 25732 1 311 . 1 1 26 26 ARG HD3 H 1 3.154 0.000 . . . . . A 11 ARG HD3 . 25732 1 312 . 1 1 26 26 ARG C C 13 171.933 0.000 . . . . . A 11 ARG C . 25732 1 313 . 1 1 26 26 ARG CA C 13 55.679 0.000 . . . . . A 11 ARG CA . 25732 1 314 . 1 1 26 26 ARG CB C 13 32.331 0.000 . . . . . A 11 ARG CB . 25732 1 315 . 1 1 26 26 ARG CG C 13 26.866 0.000 . . . . . A 11 ARG CG . 25732 1 316 . 1 1 26 26 ARG CD C 13 43.252 0.000 . . . . . A 11 ARG CD . 25732 1 317 . 1 1 26 26 ARG N N 15 121.997 0.000 . . . . . A 11 ARG N . 25732 1 318 . 1 1 27 27 ILE H H 1 8.08 0.000 . . . . . A 12 ILE H . 25732 1 319 . 1 1 27 27 ILE HA H 1 4.752 0.000 . . . . . A 12 ILE HA . 25732 1 320 . 1 1 27 27 ILE HB H 1 1.851 0.000 . . . . . A 12 ILE HB . 25732 1 321 . 1 1 27 27 ILE HG12 H 1 1.255 0.000 . . . . . A 12 ILE HG12 . 25732 1 322 . 1 1 27 27 ILE HG13 H 1 1.405 0.000 . . . . . A 12 ILE HG13 . 25732 1 323 . 1 1 27 27 ILE HG21 H 1 1.001 0.000 . . . . . A 12 ILE HG21 . 25732 1 324 . 1 1 27 27 ILE HG22 H 1 1.001 0.000 . . . . . A 12 ILE HG22 . 25732 1 325 . 1 1 27 27 ILE HG23 H 1 1.001 0.000 . . . . . A 12 ILE HG23 . 25732 1 326 . 1 1 27 27 ILE HD11 H 1 0.835 0.000 . . . . . A 12 ILE HD11 . 25732 1 327 . 1 1 27 27 ILE HD12 H 1 0.835 0.000 . . . . . A 12 ILE HD12 . 25732 1 328 . 1 1 27 27 ILE HD13 H 1 0.835 0.000 . . . . . A 12 ILE HD13 . 25732 1 329 . 1 1 27 27 ILE C C 13 177.179 0.000 . . . . . A 12 ILE C . 25732 1 330 . 1 1 27 27 ILE CA C 13 59.045 0.000 . . . . . A 12 ILE CA . 25732 1 331 . 1 1 27 27 ILE CB C 13 39.43 0.000 . . . . . A 12 ILE CB . 25732 1 332 . 1 1 27 27 ILE CG2 C 13 18.366 0.000 . . . . . A 12 ILE CG2 . 25732 1 333 . 1 1 27 27 ILE CD1 C 13 12.688 0.000 . . . . . A 12 ILE CD1 . 25732 1 334 . 1 1 27 27 ILE N N 15 116.719 0.000 . . . . . A 12 ILE N . 25732 1 335 . 1 1 28 28 ARG H H 1 10.669 0.000 . . . . . A 13 ARG H . 25732 1 336 . 1 1 28 28 ARG C C 13 175.927 0.000 . . . . . A 13 ARG C . 25732 1 337 . 1 1 28 28 ARG CA C 13 56.885 0.000 . . . . . A 13 ARG CA . 25732 1 338 . 1 1 28 28 ARG CB C 13 32.35 0.000 . . . . . A 13 ARG CB . 25732 1 339 . 1 1 28 28 ARG CG C 13 26.735 0.000 . . . . . A 13 ARG CG . 25732 1 340 . 1 1 28 28 ARG CD C 13 44.397 0.000 . . . . . A 13 ARG CD . 25732 1 341 . 1 1 28 28 ARG N N 15 128.544 0.000 . . . . . A 13 ARG N . 25732 1 342 . 1 1 29 29 ASP H H 1 8.348 0.000 . . . . . A 14 ASP H . 25732 1 343 . 1 1 29 29 ASP HA H 1 4.534 0.000 . . . . . A 14 ASP HA . 25732 1 344 . 1 1 29 29 ASP HB2 H 1 2.74 0.000 . . . . . A 14 ASP HB2 . 25732 1 345 . 1 1 29 29 ASP HB3 H 1 2.74 0.000 . . . . . A 14 ASP HB3 . 25732 1 346 . 1 1 29 29 ASP C C 13 174.862 0.000 . . . . . A 14 ASP C . 25732 1 347 . 1 1 29 29 ASP CA C 13 55.042 0.000 . . . . . A 14 ASP CA . 25732 1 348 . 1 1 29 29 ASP CB C 13 39.984 0.000 . . . . . A 14 ASP CB . 25732 1 349 . 1 1 29 29 ASP N N 15 117.1 0.000 . . . . . A 14 ASP N . 25732 1 350 . 1 1 30 30 ARG H H 1 7.814 0.000 . . . . . A 15 ARG H . 25732 1 351 . 1 1 30 30 ARG HA H 1 4.587 0.000 . . . . . A 15 ARG HA . 25732 1 352 . 1 1 30 30 ARG HB2 H 1 1.722 0.000 . . . . . A 15 ARG HB2 . 25732 1 353 . 1 1 30 30 ARG HB3 H 1 1.821 0.000 . . . . . A 15 ARG HB3 . 25732 1 354 . 1 1 30 30 ARG HG2 H 1 1.554 0.000 . . . . . A 15 ARG HG2 . 25732 1 355 . 1 1 30 30 ARG HG3 H 1 1.581 0.000 . . . . . A 15 ARG HG3 . 25732 1 356 . 1 1 30 30 ARG HD2 H 1 3.085 0.000 . . . . . A 15 ARG HD2 . 25732 1 357 . 1 1 30 30 ARG HD3 H 1 3.046 0.000 . . . . . A 15 ARG HD3 . 25732 1 358 . 1 1 30 30 ARG C C 13 174.78 0.000 . . . . . A 15 ARG C . 25732 1 359 . 1 1 30 30 ARG CA C 13 55.066 0.000 . . . . . A 15 ARG CA . 25732 1 360 . 1 1 30 30 ARG CB C 13 31.822 0.000 . . . . . A 15 ARG CB . 25732 1 361 . 1 1 30 30 ARG CD C 13 43.999 0.000 . . . . . A 15 ARG CD . 25732 1 362 . 1 1 30 30 ARG N N 15 120.5 0.000 . . . . . A 15 ARG N . 25732 1 363 . 1 1 31 31 VAL H H 1 8.196 0.000 . . . . . A 16 VAL H . 25732 1 364 . 1 1 31 31 VAL HA H 1 4.136 0.000 . . . . . A 16 VAL HA . 25732 1 365 . 1 1 31 31 VAL HB H 1 2.141 0.000 . . . . . A 16 VAL HB . 25732 1 366 . 1 1 31 31 VAL HG11 H 1 0.895 0.000 . . . . . A 16 VAL HG11 . 25732 1 367 . 1 1 31 31 VAL HG12 H 1 0.895 0.000 . . . . . A 16 VAL HG12 . 25732 1 368 . 1 1 31 31 VAL HG13 H 1 0.895 0.000 . . . . . A 16 VAL HG13 . 25732 1 369 . 1 1 31 31 VAL HG21 H 1 0.905 0.000 . . . . . A 16 VAL HG21 . 25732 1 370 . 1 1 31 31 VAL HG22 H 1 0.905 0.000 . . . . . A 16 VAL HG22 . 25732 1 371 . 1 1 31 31 VAL HG23 H 1 0.905 0.000 . . . . . A 16 VAL HG23 . 25732 1 372 . 1 1 31 31 VAL C C 13 176.178 0.000 . . . . . A 16 VAL C . 25732 1 373 . 1 1 31 31 VAL CA C 13 62.395 0.000 . . . . . A 16 VAL CA . 25732 1 374 . 1 1 31 31 VAL CB C 13 32.51 0.000 . . . . . A 16 VAL CB . 25732 1 375 . 1 1 31 31 VAL CG1 C 13 21.173 0.000 . . . . . A 16 VAL CG1 . 25732 1 376 . 1 1 31 31 VAL CG2 C 13 19.957 0.000 . . . . . A 16 VAL CG2 . 25732 1 377 . 1 1 31 31 VAL N N 15 116.457 0.000 . . . . . A 16 VAL N . 25732 1 378 . 1 1 32 32 ALA H H 1 7.877 0.000 . . . . . A 17 ALA H . 25732 1 379 . 1 1 32 32 ALA HA H 1 4.353 0.000 . . . . . A 17 ALA HA . 25732 1 380 . 1 1 32 32 ALA HB1 H 1 1.385 0.000 . . . . . A 17 ALA HB1 . 25732 1 381 . 1 1 32 32 ALA HB2 H 1 1.385 0.000 . . . . . A 17 ALA HB2 . 25732 1 382 . 1 1 32 32 ALA HB3 H 1 1.385 0.000 . . . . . A 17 ALA HB3 . 25732 1 383 . 1 1 32 32 ALA C C 13 177.542 0.000 . . . . . A 17 ALA C . 25732 1 384 . 1 1 32 32 ALA CA C 13 52.292 0.000 . . . . . A 17 ALA CA . 25732 1 385 . 1 1 32 32 ALA CB C 13 19.974 0.000 . . . . . A 17 ALA CB . 25732 1 386 . 1 1 32 32 ALA N N 15 126.769 0.000 . . . . . A 17 ALA N . 25732 1 387 . 1 1 33 33 GLN H H 1 8.605 0.000 . . . . . A 18 GLN H . 25732 1 388 . 1 1 33 33 GLN HA H 1 4.035 0.000 . . . . . A 18 GLN HA . 25732 1 389 . 1 1 33 33 GLN HB2 H 1 2.058 0.000 . . . . . A 18 GLN HB2 . 25732 1 390 . 1 1 33 33 GLN HB3 H 1 2.058 0.000 . . . . . A 18 GLN HB3 . 25732 1 391 . 1 1 33 33 GLN HG2 H 1 2.38 0.000 . . . . . A 18 GLN HG2 . 25732 1 392 . 1 1 33 33 GLN HG3 H 1 2.38 0.000 . . . . . A 18 GLN HG3 . 25732 1 393 . 1 1 33 33 GLN HE21 H 1 6.836 0.000 . . . . . A 18 GLN HE21 . 25732 1 394 . 1 1 33 33 GLN HE22 H 1 7.542 0.000 . . . . . A 18 GLN HE22 . 25732 1 395 . 1 1 33 33 GLN C C 13 176.625 0.000 . . . . . A 18 GLN C . 25732 1 396 . 1 1 33 33 GLN CA C 13 58.215 0.000 . . . . . A 18 GLN CA . 25732 1 397 . 1 1 33 33 GLN CB C 13 28.893 0.000 . . . . . A 18 GLN CB . 25732 1 398 . 1 1 33 33 GLN CG C 13 33.705 0.000 . . . . . A 18 GLN CG . 25732 1 399 . 1 1 33 33 GLN N N 15 121.334 0.000 . . . . . A 18 GLN N . 25732 1 400 . 1 1 33 33 GLN NE2 N 15 112.337 0.000 . . . . . A 18 GLN NE2 . 25732 1 401 . 1 1 34 34 ASP H H 1 8.688 0.000 . . . . . A 19 ASP H . 25732 1 402 . 1 1 34 34 ASP HA H 1 4.393 0.000 . . . . . A 19 ASP HA . 25732 1 403 . 1 1 34 34 ASP HB2 H 1 2.593 0.000 . . . . . A 19 ASP HB2 . 25732 1 404 . 1 1 34 34 ASP HB3 H 1 2.638 0.000 . . . . . A 19 ASP HB3 . 25732 1 405 . 1 1 34 34 ASP C C 13 176.911 0.000 . . . . . A 19 ASP C . 25732 1 406 . 1 1 34 34 ASP CA C 13 55.814 0.000 . . . . . A 19 ASP CA . 25732 1 407 . 1 1 34 34 ASP CB C 13 39.943 0.000 . . . . . A 19 ASP CB . 25732 1 408 . 1 1 34 34 ASP N N 15 116.864 0.000 . . . . . A 19 ASP N . 25732 1 409 . 1 1 35 35 ILE H H 1 7.421 0.000 . . . . . A 20 ILE H . 25732 1 410 . 1 1 35 35 ILE HA H 1 4.023 0.000 . . . . . A 20 ILE HA . 25732 1 411 . 1 1 35 35 ILE HB H 1 1.871 0.000 . . . . . A 20 ILE HB . 25732 1 412 . 1 1 35 35 ILE HG12 H 1 1.142 0.000 . . . . . A 20 ILE HG12 . 25732 1 413 . 1 1 35 35 ILE HG13 H 1 1.316 0.000 . . . . . A 20 ILE HG13 . 25732 1 414 . 1 1 35 35 ILE HG21 H 1 0.723 0.000 . . . . . A 20 ILE HG21 . 25732 1 415 . 1 1 35 35 ILE HG22 H 1 0.723 0.000 . . . . . A 20 ILE HG22 . 25732 1 416 . 1 1 35 35 ILE HG23 H 1 0.723 0.000 . . . . . A 20 ILE HG23 . 25732 1 417 . 1 1 35 35 ILE HD11 H 1 0.612 0.000 . . . . . A 20 ILE HD11 . 25732 1 418 . 1 1 35 35 ILE HD12 H 1 0.612 0.000 . . . . . A 20 ILE HD12 . 25732 1 419 . 1 1 35 35 ILE HD13 H 1 0.612 0.000 . . . . . A 20 ILE HD13 . 25732 1 420 . 1 1 35 35 ILE C C 13 177.163 0.000 . . . . . A 20 ILE C . 25732 1 421 . 1 1 35 35 ILE CA C 13 62.88 0.000 . . . . . A 20 ILE CA . 25732 1 422 . 1 1 35 35 ILE CB C 13 38.052 0.000 . . . . . A 20 ILE CB . 25732 1 423 . 1 1 35 35 ILE CG1 C 13 27.202 0.000 . . . . . A 20 ILE CG1 . 25732 1 424 . 1 1 35 35 ILE CG2 C 13 18.031 0.000 . . . . . A 20 ILE CG2 . 25732 1 425 . 1 1 35 35 ILE CD1 C 13 13.191 0.000 . . . . . A 20 ILE CD1 . 25732 1 426 . 1 1 35 35 ILE N N 15 116.99 0.000 . . . . . A 20 ILE N . 25732 1 427 . 1 1 36 36 ILE H H 1 7.76 0.000 . . . . . A 21 ILE H . 25732 1 428 . 1 1 36 36 ILE HA H 1 3.785 0.000 . . . . . A 21 ILE HA . 25732 1 429 . 1 1 36 36 ILE HB H 1 1.863 0.000 . . . . . A 21 ILE HB . 25732 1 430 . 1 1 36 36 ILE HG12 H 1 1.259 0.000 . . . . . A 21 ILE HG12 . 25732 1 431 . 1 1 36 36 ILE HG13 H 1 1.455 0.000 . . . . . A 21 ILE HG13 . 25732 1 432 . 1 1 36 36 ILE HG21 H 1 0.895 0.000 . . . . . A 21 ILE HG21 . 25732 1 433 . 1 1 36 36 ILE HG22 H 1 0.895 0.000 . . . . . A 21 ILE HG22 . 25732 1 434 . 1 1 36 36 ILE HG23 H 1 0.895 0.000 . . . . . A 21 ILE HG23 . 25732 1 435 . 1 1 36 36 ILE HD11 H 1 0.826 0.000 . . . . . A 21 ILE HD11 . 25732 1 436 . 1 1 36 36 ILE HD12 H 1 0.826 0.000 . . . . . A 21 ILE HD12 . 25732 1 437 . 1 1 36 36 ILE HD13 H 1 0.826 0.000 . . . . . A 21 ILE HD13 . 25732 1 438 . 1 1 36 36 ILE C C 13 178.395 0.000 . . . . . A 21 ILE C . 25732 1 439 . 1 1 36 36 ILE CA C 13 63.604 0.000 . . . . . A 21 ILE CA . 25732 1 440 . 1 1 36 36 ILE CB C 13 37.661 0.000 . . . . . A 21 ILE CB . 25732 1 441 . 1 1 36 36 ILE CG1 C 13 28.682 0.000 . . . . . A 21 ILE CG1 . 25732 1 442 . 1 1 36 36 ILE CG2 C 13 17.771 0.000 . . . . . A 21 ILE CG2 . 25732 1 443 . 1 1 36 36 ILE CD1 C 13 13.047 0.000 . . . . . A 21 ILE CD1 . 25732 1 444 . 1 1 36 36 ILE N N 15 120.297 0.000 . . . . . A 21 ILE N . 25732 1 445 . 1 1 37 37 GLN H H 1 8.015 0.000 . . . . . A 22 GLN H . 25732 1 446 . 1 1 37 37 GLN HA H 1 4.085 0.000 . . . . . A 22 GLN HA . 25732 1 447 . 1 1 37 37 GLN HB2 H 1 1.99 0.000 . . . . . A 22 GLN HB2 . 25732 1 448 . 1 1 37 37 GLN HB3 H 1 2.068 0.000 . . . . . A 22 GLN HB3 . 25732 1 449 . 1 1 37 37 GLN HG2 H 1 2.375 0.000 . . . . . A 22 GLN HG2 . 25732 1 450 . 1 1 37 37 GLN HG3 H 1 2.375 0.000 . . . . . A 22 GLN HG3 . 25732 1 451 . 1 1 37 37 GLN HE21 H 1 6.826 0.000 . . . . . A 22 GLN HE21 . 25732 1 452 . 1 1 37 37 GLN HE22 H 1 7.434 0.000 . . . . . A 22 GLN HE22 . 25732 1 453 . 1 1 37 37 GLN C C 13 176.707 0.000 . . . . . A 22 GLN C . 25732 1 454 . 1 1 37 37 GLN CA C 13 57.578 0.000 . . . . . A 22 GLN CA . 25732 1 455 . 1 1 37 37 GLN CB C 13 28.099 0.000 . . . . . A 22 GLN CB . 25732 1 456 . 1 1 37 37 GLN CG C 13 34.194 0.000 . . . . . A 22 GLN CG . 25732 1 457 . 1 1 37 37 GLN N N 15 118.298 0.000 . . . . . A 22 GLN N . 25732 1 458 . 1 1 37 37 GLN NE2 N 15 111.438 0.000 . . . . . A 22 GLN NE2 . 25732 1 459 . 1 1 38 38 LYS H H 1 7.728 0.000 . . . . . A 23 LYS H . 25732 1 460 . 1 1 38 38 LYS HA H 1 3.899 0.000 . . . . . A 23 LYS HA . 25732 1 461 . 1 1 38 38 LYS HB2 H 1 1.593 0.000 . . . . . A 23 LYS HB2 . 25732 1 462 . 1 1 38 38 LYS HB3 H 1 1.881 0.000 . . . . . A 23 LYS HB3 . 25732 1 463 . 1 1 38 38 LYS HG2 H 1 0.916 0.000 . . . . . A 23 LYS HG2 . 25732 1 464 . 1 1 38 38 LYS HG3 H 1 1.236 0.000 . . . . . A 23 LYS HG3 . 25732 1 465 . 1 1 38 38 LYS HD2 H 1 0.185 0.000 . . . . . A 23 LYS HD2 . 25732 1 466 . 1 1 38 38 LYS HD3 H 1 0.884 0.000 . . . . . A 23 LYS HD3 . 25732 1 467 . 1 1 38 38 LYS HE2 H 1 2.441 0.000 . . . . . A 23 LYS HE2 . 25732 1 468 . 1 1 38 38 LYS HE3 H 1 2.491 0.000 . . . . . A 23 LYS HE3 . 25732 1 469 . 1 1 38 38 LYS C C 13 176.113 0.000 . . . . . A 23 LYS C . 25732 1 470 . 1 1 38 38 LYS CA C 13 54.586 0.000 . . . . . A 23 LYS CA . 25732 1 471 . 1 1 38 38 LYS CB C 13 31.983 0.000 . . . . . A 23 LYS CB . 25732 1 472 . 1 1 38 38 LYS CG C 13 24.464 0.000 . . . . . A 23 LYS CG . 25732 1 473 . 1 1 38 38 LYS CD C 13 27.442 0.000 . . . . . A 23 LYS CD . 25732 1 474 . 1 1 38 38 LYS CE C 13 42.079 0.000 . . . . . A 23 LYS CE . 25732 1 475 . 1 1 38 38 LYS N N 15 115.698 0.000 . . . . . A 23 LYS N . 25732 1 476 . 1 1 39 39 LEU H H 1 7.243 0.000 . . . . . A 24 LEU H . 25732 1 477 . 1 1 39 39 LEU HA H 1 3.617 0.000 . . . . . A 24 LEU HA . 25732 1 478 . 1 1 39 39 LEU HB2 H 1 1.546 0.000 . . . . . A 24 LEU HB2 . 25732 1 479 . 1 1 39 39 LEU HB3 H 1 1.663 0.000 . . . . . A 24 LEU HB3 . 25732 1 480 . 1 1 39 39 LEU HG H 1 1.536 0.000 . . . . . A 24 LEU HG . 25732 1 481 . 1 1 39 39 LEU HD11 H 1 0.804 0.000 . . . . . A 24 LEU HD11 . 25732 1 482 . 1 1 39 39 LEU HD12 H 1 0.804 0.000 . . . . . A 24 LEU HD12 . 25732 1 483 . 1 1 39 39 LEU HD13 H 1 0.804 0.000 . . . . . A 24 LEU HD13 . 25732 1 484 . 1 1 39 39 LEU HD21 H 1 0.816 0.000 . . . . . A 24 LEU HD21 . 25732 1 485 . 1 1 39 39 LEU HD22 H 1 0.816 0.000 . . . . . A 24 LEU HD22 . 25732 1 486 . 1 1 39 39 LEU HD23 H 1 0.816 0.000 . . . . . A 24 LEU HD23 . 25732 1 487 . 1 1 39 39 LEU C C 13 177.845 0.000 . . . . . A 24 LEU C . 25732 1 488 . 1 1 39 39 LEU CA C 13 57.681 0.000 . . . . . A 24 LEU CA . 25732 1 489 . 1 1 39 39 LEU CB C 13 41.772 0.000 . . . . . A 24 LEU CB . 25732 1 490 . 1 1 39 39 LEU CG C 13 26.937 0.000 . . . . . A 24 LEU CG . 25732 1 491 . 1 1 39 39 LEU CD1 C 13 24.1 0.000 . . . . . A 24 LEU CD1 . 25732 1 492 . 1 1 39 39 LEU CD2 C 13 24.977 0.000 . . . . . A 24 LEU CD2 . 25732 1 493 . 1 1 39 39 LEU N N 15 119.954 0.000 . . . . . A 24 LEU N . 25732 1 494 . 1 1 40 40 GLY H H 1 8.964 0.000 . . . . . A 25 GLY H . 25732 1 495 . 1 1 40 40 GLY HA2 H 1 3.574 0.000 . . . . . A 25 GLY HA2 . 25732 1 496 . 1 1 40 40 GLY HA3 H 1 4.277 0.000 . . . . . A 25 GLY HA3 . 25732 1 497 . 1 1 40 40 GLY C C 13 174.177 0.000 . . . . . A 25 GLY C . 25732 1 498 . 1 1 40 40 GLY CA C 13 45.329 0.000 . . . . . A 25 GLY CA . 25732 1 499 . 1 1 40 40 GLY N N 15 114.461 0.000 . . . . . A 25 GLY N . 25732 1 500 . 1 1 41 41 GLN H H 1 8.25 0.000 . . . . . A 26 GLN H . 25732 1 501 . 1 1 41 41 GLN HA H 1 4.408 0.000 . . . . . A 26 GLN HA . 25732 1 502 . 1 1 41 41 GLN HB2 H 1 2.084 0.000 . . . . . A 26 GLN HB2 . 25732 1 503 . 1 1 41 41 GLN HB3 H 1 2.173 0.000 . . . . . A 26 GLN HB3 . 25732 1 504 . 1 1 41 41 GLN HE21 H 1 7.28 0.000 . . . . . A 26 GLN HE21 . 25732 1 505 . 1 1 41 41 GLN HE22 H 1 6.837 0.000 . . . . . A 26 GLN HE22 . 25732 1 506 . 1 1 41 41 GLN C C 13 174.705 0.000 . . . . . A 26 GLN C . 25732 1 507 . 1 1 41 41 GLN CA C 13 55.898 0.000 . . . . . A 26 GLN CA . 25732 1 508 . 1 1 41 41 GLN CB C 13 29.868 0.000 . . . . . A 26 GLN CB . 25732 1 509 . 1 1 41 41 GLN CG C 13 34.76 0.000 . . . . . A 26 GLN CG . 25732 1 510 . 1 1 41 41 GLN N N 15 119.554 0.000 . . . . . A 26 GLN N . 25732 1 511 . 1 1 41 41 GLN NE2 N 15 113.284 0.000 . . . . . A 26 GLN NE2 . 25732 1 512 . 1 1 42 42 VAL H H 1 8.545 0.000 . . . . . A 27 VAL H . 25732 1 513 . 1 1 42 42 VAL HA H 1 5.213 0.000 . . . . . A 27 VAL HA . 25732 1 514 . 1 1 42 42 VAL HB H 1 1.916 0.000 . . . . . A 27 VAL HB . 25732 1 515 . 1 1 42 42 VAL HG11 H 1 0.829 0.000 . . . . . A 27 VAL HG11 . 25732 1 516 . 1 1 42 42 VAL HG12 H 1 0.829 0.000 . . . . . A 27 VAL HG12 . 25732 1 517 . 1 1 42 42 VAL HG13 H 1 0.829 0.000 . . . . . A 27 VAL HG13 . 25732 1 518 . 1 1 42 42 VAL HG21 H 1 0.905 0.000 . . . . . A 27 VAL HG21 . 25732 1 519 . 1 1 42 42 VAL HG22 H 1 0.905 0.000 . . . . . A 27 VAL HG22 . 25732 1 520 . 1 1 42 42 VAL HG23 H 1 0.905 0.000 . . . . . A 27 VAL HG23 . 25732 1 521 . 1 1 42 42 VAL C C 13 176.581 0.000 . . . . . A 27 VAL C . 25732 1 522 . 1 1 42 42 VAL CA C 13 60.636 0.000 . . . . . A 27 VAL CA . 25732 1 523 . 1 1 42 42 VAL CB C 13 33.387 0.000 . . . . . A 27 VAL CB . 25732 1 524 . 1 1 42 42 VAL CG1 C 13 21.322 0.000 . . . . . A 27 VAL CG1 . 25732 1 525 . 1 1 42 42 VAL CG2 C 13 21.488 0.000 . . . . . A 27 VAL CG2 . 25732 1 526 . 1 1 42 42 VAL N N 15 120.099 0.000 . . . . . A 27 VAL N . 25732 1 527 . 1 1 43 43 GLY H H 1 8.87 0.000 . . . . . A 28 GLY H . 25732 1 528 . 1 1 43 43 GLY HA2 H 1 2.737 0.000 . . . . . A 28 GLY HA2 . 25732 1 529 . 1 1 43 43 GLY HA3 H 1 4.53 0.000 . . . . . A 28 GLY HA3 . 25732 1 530 . 1 1 43 43 GLY C C 13 170.761 0.000 . . . . . A 28 GLY C . 25732 1 531 . 1 1 43 43 GLY CA C 13 44.225 0.000 . . . . . A 28 GLY CA . 25732 1 532 . 1 1 43 43 GLY N N 15 114.736 0.000 . . . . . A 28 GLY N . 25732 1 533 . 1 1 44 44 GLN H H 1 8.23 0.000 . . . . . A 29 GLN H . 25732 1 534 . 1 1 44 44 GLN HA H 1 5.096 0.000 . . . . . A 29 GLN HA . 25732 1 535 . 1 1 44 44 GLN HB2 H 1 1.707 0.000 . . . . . A 29 GLN HB2 . 25732 1 536 . 1 1 44 44 GLN HB3 H 1 1.797 0.000 . . . . . A 29 GLN HB3 . 25732 1 537 . 1 1 44 44 GLN HG2 H 1 2.013 0.000 . . . . . A 29 GLN HG2 . 25732 1 538 . 1 1 44 44 GLN HG3 H 1 2.013 0.000 . . . . . A 29 GLN HG3 . 25732 1 539 . 1 1 44 44 GLN HE21 H 1 6.829 0.000 . . . . . A 29 GLN HE21 . 25732 1 540 . 1 1 44 44 GLN HE22 H 1 7.504 0.000 . . . . . A 29 GLN HE22 . 25732 1 541 . 1 1 44 44 GLN C C 13 175.538 0.000 . . . . . A 29 GLN C . 25732 1 542 . 1 1 44 44 GLN CA C 13 53.579 0.000 . . . . . A 29 GLN CA . 25732 1 543 . 1 1 44 44 GLN CB C 13 32.651 0.000 . . . . . A 29 GLN CB . 25732 1 544 . 1 1 44 44 GLN CG C 13 34.147 0.000 . . . . . A 29 GLN CG . 25732 1 545 . 1 1 44 44 GLN N N 15 118.227 0.000 . . . . . A 29 GLN N . 25732 1 546 . 1 1 44 44 GLN NE2 N 15 111.697 0.000 . . . . . A 29 GLN NE2 . 25732 1 547 . 1 1 45 45 ILE H H 1 8.966 0.000 . . . . . A 30 ILE H . 25732 1 548 . 1 1 45 45 ILE HA H 1 4.358 0.000 . . . . . A 30 ILE HA . 25732 1 549 . 1 1 45 45 ILE HB H 1 1.954 0.000 . . . . . A 30 ILE HB . 25732 1 550 . 1 1 45 45 ILE HG12 H 1 0.63 0.000 . . . . . A 30 ILE HG12 . 25732 1 551 . 1 1 45 45 ILE HG13 H 1 1.74 0.000 . . . . . A 30 ILE HG13 . 25732 1 552 . 1 1 45 45 ILE HG21 H 1 0.575 0.000 . . . . . A 30 ILE HG21 . 25732 1 553 . 1 1 45 45 ILE HG22 H 1 0.575 0.000 . . . . . A 30 ILE HG22 . 25732 1 554 . 1 1 45 45 ILE HG23 H 1 0.575 0.000 . . . . . A 30 ILE HG23 . 25732 1 555 . 1 1 45 45 ILE HD11 H 1 0.863 0.000 . . . . . A 30 ILE HD11 . 25732 1 556 . 1 1 45 45 ILE HD12 H 1 0.863 0.000 . . . . . A 30 ILE HD12 . 25732 1 557 . 1 1 45 45 ILE HD13 H 1 0.863 0.000 . . . . . A 30 ILE HD13 . 25732 1 558 . 1 1 45 45 ILE C C 13 178.195 0.000 . . . . . A 30 ILE C . 25732 1 559 . 1 1 45 45 ILE CA C 13 63.074 0.000 . . . . . A 30 ILE CA . 25732 1 560 . 1 1 45 45 ILE CB C 13 37.478 0.000 . . . . . A 30 ILE CB . 25732 1 561 . 1 1 45 45 ILE CG1 C 13 28.188 0.000 . . . . . A 30 ILE CG1 . 25732 1 562 . 1 1 45 45 ILE CG2 C 13 17.584 0.000 . . . . . A 30 ILE CG2 . 25732 1 563 . 1 1 45 45 ILE CD1 C 13 14.342 0.000 . . . . . A 30 ILE CD1 . 25732 1 564 . 1 1 45 45 ILE N N 15 124.904 0.000 . . . . . A 30 ILE N . 25732 1 565 . 1 1 46 46 THR H H 1 9.275 0.000 . . . . . A 31 THR H . 25732 1 566 . 1 1 46 46 THR HA H 1 4.493 0.000 . . . . . A 31 THR HA . 25732 1 567 . 1 1 46 46 THR HB H 1 4.292 0.000 . . . . . A 31 THR HB . 25732 1 568 . 1 1 46 46 THR HG21 H 1 1.094 0.000 . . . . . A 31 THR HG21 . 25732 1 569 . 1 1 46 46 THR HG22 H 1 1.094 0.000 . . . . . A 31 THR HG22 . 25732 1 570 . 1 1 46 46 THR HG23 H 1 1.094 0.000 . . . . . A 31 THR HG23 . 25732 1 571 . 1 1 46 46 THR C C 13 174.381 0.000 . . . . . A 31 THR C . 25732 1 572 . 1 1 46 46 THR CA C 13 61.358 0.000 . . . . . A 31 THR CA . 25732 1 573 . 1 1 46 46 THR CB C 13 69.195 0.000 . . . . . A 31 THR CB . 25732 1 574 . 1 1 46 46 THR CG2 C 13 22.004 0.000 . . . . . A 31 THR CG2 . 25732 1 575 . 1 1 46 46 THR N N 15 120.529 0.000 . . . . . A 31 THR N . 25732 1 576 . 1 1 47 47 GLY H H 1 7.482 0.000 . . . . . A 32 GLY H . 25732 1 577 . 1 1 47 47 GLY HA2 H 1 3.695 0.000 . . . . . A 32 GLY HA2 . 25732 1 578 . 1 1 47 47 GLY HA3 H 1 4.011 0.000 . . . . . A 32 GLY HA3 . 25732 1 579 . 1 1 47 47 GLY C C 13 169.217 0.000 . . . . . A 32 GLY C . 25732 1 580 . 1 1 47 47 GLY CA C 13 45.134 0.000 . . . . . A 32 GLY CA . 25732 1 581 . 1 1 47 47 GLY N N 15 109.349 0.000 . . . . . A 32 GLY N . 25732 1 582 . 1 1 48 48 PHE H H 1 8.447 0.000 . . . . . A 33 PHE H . 25732 1 583 . 1 1 48 48 PHE HA H 1 5.35 0.000 . . . . . A 33 PHE HA . 25732 1 584 . 1 1 48 48 PHE HB2 H 1 2.566 0.000 . . . . . A 33 PHE HB2 . 25732 1 585 . 1 1 48 48 PHE HB3 H 1 3.048 0.000 . . . . . A 33 PHE HB3 . 25732 1 586 . 1 1 48 48 PHE HD1 H 1 7.194 0.000 . . . . . A 33 PHE HD1 . 25732 1 587 . 1 1 48 48 PHE HD2 H 1 7.194 0.000 . . . . . A 33 PHE HD2 . 25732 1 588 . 1 1 48 48 PHE HE1 H 1 7.248 0.000 . . . . . A 33 PHE HE1 . 25732 1 589 . 1 1 48 48 PHE HE2 H 1 7.248 0.000 . . . . . A 33 PHE HE2 . 25732 1 590 . 1 1 48 48 PHE HZ H 1 7.198 0.000 . . . . . A 33 PHE HZ . 25732 1 591 . 1 1 48 48 PHE C C 13 174.514 0.000 . . . . . A 33 PHE C . 25732 1 592 . 1 1 48 48 PHE CA C 13 56.903 0.000 . . . . . A 33 PHE CA . 25732 1 593 . 1 1 48 48 PHE CB C 13 42.859 0.000 . . . . . A 33 PHE CB . 25732 1 594 . 1 1 48 48 PHE CD1 C 13 131.999 0.000 . . . . . A 33 PHE CD1 . 25732 1 595 . 1 1 48 48 PHE CD2 C 13 131.999 0.000 . . . . . A 33 PHE CD2 . 25732 1 596 . 1 1 48 48 PHE CE1 C 13 130.982 0.000 . . . . . A 33 PHE CE1 . 25732 1 597 . 1 1 48 48 PHE CE2 C 13 130.982 0.000 . . . . . A 33 PHE CE2 . 25732 1 598 . 1 1 48 48 PHE CZ C 13 129.734 0.000 . . . . . A 33 PHE CZ . 25732 1 599 . 1 1 48 48 PHE N N 15 116.513 0.000 . . . . . A 33 PHE N . 25732 1 600 . 1 1 49 49 LYS H H 1 8.746 0.000 . . . . . A 34 LYS H . 25732 1 601 . 1 1 49 49 LYS HA H 1 4.534 0.000 . . . . . A 34 LYS HA . 25732 1 602 . 1 1 49 49 LYS HB2 H 1 1.357 0.000 . . . . . A 34 LYS HB2 . 25732 1 603 . 1 1 49 49 LYS HB3 H 1 1.396 0.000 . . . . . A 34 LYS HB3 . 25732 1 604 . 1 1 49 49 LYS HG2 H 1 0.773 0.000 . . . . . A 34 LYS HG2 . 25732 1 605 . 1 1 49 49 LYS HG3 H 1 0.821 0.000 . . . . . A 34 LYS HG3 . 25732 1 606 . 1 1 49 49 LYS HD2 H 1 0.826 0.000 . . . . . A 34 LYS HD2 . 25732 1 607 . 1 1 49 49 LYS HD3 H 1 1.08 0.000 . . . . . A 34 LYS HD3 . 25732 1 608 . 1 1 49 49 LYS HE2 H 1 2.098 0.000 . . . . . A 34 LYS HE2 . 25732 1 609 . 1 1 49 49 LYS HE3 H 1 2.157 0.000 . . . . . A 34 LYS HE3 . 25732 1 610 . 1 1 49 49 LYS C C 13 174.616 0.000 . . . . . A 34 LYS C . 25732 1 611 . 1 1 49 49 LYS CA C 13 54.612 0.000 . . . . . A 34 LYS CA . 25732 1 612 . 1 1 49 49 LYS CB C 13 35.672 0.000 . . . . . A 34 LYS CB . 25732 1 613 . 1 1 49 49 LYS CG C 13 23.288 0.000 . . . . . A 34 LYS CG . 25732 1 614 . 1 1 49 49 LYS CD C 13 28.608 0.000 . . . . . A 34 LYS CD . 25732 1 615 . 1 1 49 49 LYS CE C 13 41.327 0.000 . . . . . A 34 LYS CE . 25732 1 616 . 1 1 49 49 LYS N N 15 121.226 0.000 . . . . . A 34 LYS N . 25732 1 617 . 1 1 50 50 MET H H 1 8.709 0.000 . . . . . A 35 MET H . 25732 1 618 . 1 1 50 50 MET HA H 1 4.769 0.000 . . . . . A 35 MET HA . 25732 1 619 . 1 1 50 50 MET HB2 H 1 1.926 0.000 . . . . . A 35 MET HB2 . 25732 1 620 . 1 1 50 50 MET HB3 H 1 2.008 0.000 . . . . . A 35 MET HB3 . 25732 1 621 . 1 1 50 50 MET HG2 H 1 2.5 0.000 . . . . . A 35 MET HG2 . 25732 1 622 . 1 1 50 50 MET HG3 H 1 2.58 0.000 . . . . . A 35 MET HG3 . 25732 1 623 . 1 1 50 50 MET HE1 H 1 1.982 0.000 . . . . . A 35 MET HE1 . 25732 1 624 . 1 1 50 50 MET HE2 H 1 1.982 0.000 . . . . . A 35 MET HE2 . 25732 1 625 . 1 1 50 50 MET HE3 H 1 1.982 0.000 . . . . . A 35 MET HE3 . 25732 1 626 . 1 1 50 50 MET C C 13 176.264 0.000 . . . . . A 35 MET C . 25732 1 627 . 1 1 50 50 MET CA C 13 55.108 0.000 . . . . . A 35 MET CA . 25732 1 628 . 1 1 50 50 MET CB C 13 32.35 0.000 . . . . . A 35 MET CB . 25732 1 629 . 1 1 50 50 MET CG C 13 32.179 0.000 . . . . . A 35 MET CG . 25732 1 630 . 1 1 50 50 MET CE C 13 16.905 0.000 . . . . . A 35 MET CE . 25732 1 631 . 1 1 50 50 MET N N 15 124.748 0.000 . . . . . A 35 MET N . 25732 1 632 . 1 1 51 51 THR H H 1 8.3 0.000 . . . . . A 36 THR H . 25732 1 633 . 1 1 51 51 THR HA H 1 4.295 0.000 . . . . . A 36 THR HA . 25732 1 634 . 1 1 51 51 THR HB H 1 4.069 0.000 . . . . . A 36 THR HB . 25732 1 635 . 1 1 51 51 THR HG21 H 1 0.747 0.000 . . . . . A 36 THR HG21 . 25732 1 636 . 1 1 51 51 THR HG22 H 1 0.747 0.000 . . . . . A 36 THR HG22 . 25732 1 637 . 1 1 51 51 THR HG23 H 1 0.747 0.000 . . . . . A 36 THR HG23 . 25732 1 638 . 1 1 51 51 THR C C 13 174.188 0.000 . . . . . A 36 THR C . 25732 1 639 . 1 1 51 51 THR CA C 13 61.008 0.000 . . . . . A 36 THR CA . 25732 1 640 . 1 1 51 51 THR CB C 13 70.383 0.000 . . . . . A 36 THR CB . 25732 1 641 . 1 1 51 51 THR CG2 C 13 20.948 0.000 . . . . . A 36 THR CG2 . 25732 1 642 . 1 1 51 51 THR N N 15 116.748 0.000 . . . . . A 36 THR N . 25732 1 643 . 1 1 52 52 ASP H H 1 8.614 0.000 . . . . . A 37 ASP H . 25732 1 644 . 1 1 52 52 ASP HA H 1 4.546 0.000 . . . . . A 37 ASP HA . 25732 1 645 . 1 1 52 52 ASP HB2 H 1 2.724 0.000 . . . . . A 37 ASP HB2 . 25732 1 646 . 1 1 52 52 ASP HB3 H 1 2.724 0.000 . . . . . A 37 ASP HB3 . 25732 1 647 . 1 1 52 52 ASP C C 13 176.914 0.000 . . . . . A 37 ASP C . 25732 1 648 . 1 1 52 52 ASP CA C 13 54.722 0.000 . . . . . A 37 ASP CA . 25732 1 649 . 1 1 52 52 ASP CB C 13 40.383 0.000 . . . . . A 37 ASP CB . 25732 1 650 . 1 1 52 52 ASP N N 15 122.524 0.000 . . . . . A 37 ASP N . 25732 1 651 . 1 1 53 53 GLY H H 1 8.44 0.000 . . . . . A 38 GLY H . 25732 1 652 . 1 1 53 53 GLY HA2 H 1 3.883 0.000 . . . . . A 38 GLY HA2 . 25732 1 653 . 1 1 53 53 GLY HA3 H 1 4.149 0.000 . . . . . A 38 GLY HA3 . 25732 1 654 . 1 1 53 53 GLY C C 13 174.754 0.000 . . . . . A 38 GLY C . 25732 1 655 . 1 1 53 53 GLY CA C 13 45.751 0.000 . . . . . A 38 GLY CA . 25732 1 656 . 1 1 53 53 GLY N N 15 109.115 0.000 . . . . . A 38 GLY N . 25732 1 657 . 1 1 54 54 SER H H 1 8.103 0.000 . . . . . A 39 SER H . 25732 1 658 . 1 1 54 54 SER HA H 1 4.592 0.000 . . . . . A 39 SER HA . 25732 1 659 . 1 1 54 54 SER HB2 H 1 3.921 0.000 . . . . . A 39 SER HB2 . 25732 1 660 . 1 1 54 54 SER HB3 H 1 3.87 0.000 . . . . . A 39 SER HB3 . 25732 1 661 . 1 1 54 54 SER C C 13 174.191 0.000 . . . . . A 39 SER C . 25732 1 662 . 1 1 54 54 SER CA C 13 58.511 0.000 . . . . . A 39 SER CA . 25732 1 663 . 1 1 54 54 SER CB C 13 64.135 0.000 . . . . . A 39 SER CB . 25732 1 664 . 1 1 54 54 SER N N 15 115.162 0.000 . . . . . A 39 SER N . 25732 1 665 . 1 1 55 55 GLY H H 1 8.116 0.000 . . . . . A 40 GLY H . 25732 1 666 . 1 1 55 55 GLY HA2 H 1 4.082 0.000 . . . . . A 40 GLY HA2 . 25732 1 667 . 1 1 55 55 GLY HA3 H 1 4.164 0.000 . . . . . A 40 GLY HA3 . 25732 1 668 . 1 1 55 55 GLY C C 13 173.509 0.000 . . . . . A 40 GLY C . 25732 1 669 . 1 1 55 55 GLY CA C 13 44.865 0.000 . . . . . A 40 GLY CA . 25732 1 670 . 1 1 55 55 GLY N N 15 109.817 0.000 . . . . . A 40 GLY N . 25732 1 671 . 1 1 56 56 VAL H H 1 8.679 0.000 . . . . . A 41 VAL H . 25732 1 672 . 1 1 56 56 VAL HA H 1 4.362 0.000 . . . . . A 41 VAL HA . 25732 1 673 . 1 1 56 56 VAL HB H 1 2.086 0.000 . . . . . A 41 VAL HB . 25732 1 674 . 1 1 56 56 VAL HG11 H 1 0.951 0.000 . . . . . A 41 VAL HG11 . 25732 1 675 . 1 1 56 56 VAL HG12 H 1 0.951 0.000 . . . . . A 41 VAL HG12 . 25732 1 676 . 1 1 56 56 VAL HG13 H 1 0.951 0.000 . . . . . A 41 VAL HG13 . 25732 1 677 . 1 1 56 56 VAL HG21 H 1 0.951 0.000 . . . . . A 41 VAL HG21 . 25732 1 678 . 1 1 56 56 VAL HG22 H 1 0.951 0.000 . . . . . A 41 VAL HG22 . 25732 1 679 . 1 1 56 56 VAL HG23 H 1 0.951 0.000 . . . . . A 41 VAL HG23 . 25732 1 680 . 1 1 56 56 VAL C C 13 175.587 0.000 . . . . . A 41 VAL C . 25732 1 681 . 1 1 56 56 VAL CA C 13 62.881 0.000 . . . . . A 41 VAL CA . 25732 1 682 . 1 1 56 56 VAL CB C 13 33.37 0.000 . . . . . A 41 VAL CB . 25732 1 683 . 1 1 56 56 VAL CG1 C 13 21.645 0.000 . . . . . A 41 VAL CG1 . 25732 1 684 . 1 1 56 56 VAL CG2 C 13 21.645 0.000 . . . . . A 41 VAL CG2 . 25732 1 685 . 1 1 56 56 VAL N N 15 121.844 0.000 . . . . . A 41 VAL N . 25732 1 686 . 1 1 57 57 GLY H H 1 8.758 0.000 . . . . . A 42 GLY H . 25732 1 687 . 1 1 57 57 GLY HA2 H 1 3.312 0.000 . . . . . A 42 GLY HA2 . 25732 1 688 . 1 1 57 57 GLY HA3 H 1 4.789 0.000 . . . . . A 42 GLY HA3 . 25732 1 689 . 1 1 57 57 GLY C C 13 172.557 0.000 . . . . . A 42 GLY C . 25732 1 690 . 1 1 57 57 GLY CA C 13 44.167 0.000 . . . . . A 42 GLY CA . 25732 1 691 . 1 1 57 57 GLY N N 15 113.276 0.000 . . . . . A 42 GLY N . 25732 1 692 . 1 1 58 58 VAL H H 1 9.769 0.000 . . . . . A 43 VAL H . 25732 1 693 . 1 1 58 58 VAL HA H 1 4.614 0.000 . . . . . A 43 VAL HA . 25732 1 694 . 1 1 58 58 VAL HB H 1 2.05 0.000 . . . . . A 43 VAL HB . 25732 1 695 . 1 1 58 58 VAL HG11 H 1 0.894 0.000 . . . . . A 43 VAL HG11 . 25732 1 696 . 1 1 58 58 VAL HG12 H 1 0.894 0.000 . . . . . A 43 VAL HG12 . 25732 1 697 . 1 1 58 58 VAL HG13 H 1 0.894 0.000 . . . . . A 43 VAL HG13 . 25732 1 698 . 1 1 58 58 VAL HG21 H 1 0.946 0.000 . . . . . A 43 VAL HG21 . 25732 1 699 . 1 1 58 58 VAL HG22 H 1 0.946 0.000 . . . . . A 43 VAL HG22 . 25732 1 700 . 1 1 58 58 VAL HG23 H 1 0.946 0.000 . . . . . A 43 VAL HG23 . 25732 1 701 . 1 1 58 58 VAL C C 13 174.647 0.000 . . . . . A 43 VAL C . 25732 1 702 . 1 1 58 58 VAL CA C 13 60.409 0.000 . . . . . A 43 VAL CA . 25732 1 703 . 1 1 58 58 VAL CB C 13 34.145 0.000 . . . . . A 43 VAL CB . 25732 1 704 . 1 1 58 58 VAL CG1 C 13 22.741 0.000 . . . . . A 43 VAL CG1 . 25732 1 705 . 1 1 58 58 VAL CG2 C 13 19.782 0.000 . . . . . A 43 VAL CG2 . 25732 1 706 . 1 1 58 58 VAL N N 15 119.465 0.000 . . . . . A 43 VAL N . 25732 1 707 . 1 1 59 59 ILE H H 1 8.478 0.000 . . . . . A 44 ILE H . 25732 1 708 . 1 1 59 59 ILE HA H 1 4.189 0.000 . . . . . A 44 ILE HA . 25732 1 709 . 1 1 59 59 ILE HB H 1 1.168 0.000 . . . . . A 44 ILE HB . 25732 1 710 . 1 1 59 59 ILE HG12 H 1 0.712 0.000 . . . . . A 44 ILE HG12 . 25732 1 711 . 1 1 59 59 ILE HG13 H 1 0.712 0.000 . . . . . A 44 ILE HG13 . 25732 1 712 . 1 1 59 59 ILE HG21 H 1 0.589 0.000 . . . . . A 44 ILE HG21 . 25732 1 713 . 1 1 59 59 ILE HG22 H 1 0.589 0.000 . . . . . A 44 ILE HG22 . 25732 1 714 . 1 1 59 59 ILE HG23 H 1 0.589 0.000 . . . . . A 44 ILE HG23 . 25732 1 715 . 1 1 59 59 ILE HD11 H 1 0.588 0.000 . . . . . A 44 ILE HD11 . 25732 1 716 . 1 1 59 59 ILE HD12 H 1 0.588 0.000 . . . . . A 44 ILE HD12 . 25732 1 717 . 1 1 59 59 ILE HD13 H 1 0.588 0.000 . . . . . A 44 ILE HD13 . 25732 1 718 . 1 1 59 59 ILE C C 13 174.556 0.000 . . . . . A 44 ILE C . 25732 1 719 . 1 1 59 59 ILE CA C 13 61.552 0.000 . . . . . A 44 ILE CA . 25732 1 720 . 1 1 59 59 ILE CB C 13 37.592 0.000 . . . . . A 44 ILE CB . 25732 1 721 . 1 1 59 59 ILE CG1 C 13 27.91 0.000 . . . . . A 44 ILE CG1 . 25732 1 722 . 1 1 59 59 ILE CG2 C 13 17.493 0.000 . . . . . A 44 ILE CG2 . 25732 1 723 . 1 1 59 59 ILE CD1 C 13 13.381 0.000 . . . . . A 44 ILE CD1 . 25732 1 724 . 1 1 59 59 ILE N N 15 125.683 0.000 . . . . . A 44 ILE N . 25732 1 725 . 1 1 60 60 VAL H H 1 8.728 0.000 . . . . . A 45 VAL H . 25732 1 726 . 1 1 60 60 VAL HA H 1 4.454 0.000 . . . . . A 45 VAL HA . 25732 1 727 . 1 1 60 60 VAL HB H 1 1.781 0.000 . . . . . A 45 VAL HB . 25732 1 728 . 1 1 60 60 VAL HG11 H 1 -0.208 0.000 . . . . . A 45 VAL HG11 . 25732 1 729 . 1 1 60 60 VAL HG12 H 1 -0.208 0.000 . . . . . A 45 VAL HG12 . 25732 1 730 . 1 1 60 60 VAL HG13 H 1 -0.208 0.000 . . . . . A 45 VAL HG13 . 25732 1 731 . 1 1 60 60 VAL HG21 H 1 0.709 0.000 . . . . . A 45 VAL HG21 . 25732 1 732 . 1 1 60 60 VAL HG22 H 1 0.709 0.000 . . . . . A 45 VAL HG22 . 25732 1 733 . 1 1 60 60 VAL HG23 H 1 0.709 0.000 . . . . . A 45 VAL HG23 . 25732 1 734 . 1 1 60 60 VAL C C 13 174.306 0.000 . . . . . A 45 VAL C . 25732 1 735 . 1 1 60 60 VAL CA C 13 60.49 0.000 . . . . . A 45 VAL CA . 25732 1 736 . 1 1 60 60 VAL CB C 13 34.367 0.000 . . . . . A 45 VAL CB . 25732 1 737 . 1 1 60 60 VAL CG1 C 13 21.791 0.000 . . . . . A 45 VAL CG1 . 25732 1 738 . 1 1 60 60 VAL CG2 C 13 23.152 0.000 . . . . . A 45 VAL CG2 . 25732 1 739 . 1 1 60 60 VAL N N 15 128.761 0.000 . . . . . A 45 VAL N . 25732 1 740 . 1 1 61 61 THR H H 1 8.713 0.000 . . . . . A 46 THR H . 25732 1 741 . 1 1 61 61 THR HA H 1 5.126 0.000 . . . . . A 46 THR HA . 25732 1 742 . 1 1 61 61 THR HB H 1 3.768 0.000 . . . . . A 46 THR HB . 25732 1 743 . 1 1 61 61 THR HG21 H 1 1.194 0.000 . . . . . A 46 THR HG21 . 25732 1 744 . 1 1 61 61 THR HG22 H 1 1.194 0.000 . . . . . A 46 THR HG22 . 25732 1 745 . 1 1 61 61 THR HG23 H 1 1.194 0.000 . . . . . A 46 THR HG23 . 25732 1 746 . 1 1 61 61 THR C C 13 174.894 0.000 . . . . . A 46 THR C . 25732 1 747 . 1 1 61 61 THR CA C 13 61.117 0.000 . . . . . A 46 THR CA . 25732 1 748 . 1 1 61 61 THR CB C 13 69.873 0.000 . . . . . A 46 THR CB . 25732 1 749 . 1 1 61 61 THR CG2 C 13 20.986 0.000 . . . . . A 46 THR CG2 . 25732 1 750 . 1 1 61 61 THR N N 15 121.347 0.000 . . . . . A 46 THR N . 25732 1 751 . 1 1 62 62 PHE H H 1 8.986 0.000 . . . . . A 47 PHE H . 25732 1 752 . 1 1 62 62 PHE HA H 1 4.671 0.000 . . . . . A 47 PHE HA . 25732 1 753 . 1 1 62 62 PHE HB2 H 1 3 0.000 . . . . . A 47 PHE HB2 . 25732 1 754 . 1 1 62 62 PHE HB3 H 1 3.563 0.000 . . . . . A 47 PHE HB3 . 25732 1 755 . 1 1 62 62 PHE HD1 H 1 7.323 0.000 . . . . . A 47 PHE HD1 . 25732 1 756 . 1 1 62 62 PHE HD2 H 1 7.323 0.000 . . . . . A 47 PHE HD2 . 25732 1 757 . 1 1 62 62 PHE HE1 H 1 7.04 0.000 . . . . . A 47 PHE HE1 . 25732 1 758 . 1 1 62 62 PHE HE2 H 1 7.04 0.000 . . . . . A 47 PHE HE2 . 25732 1 759 . 1 1 62 62 PHE HZ H 1 6.946 0.000 . . . . . A 47 PHE HZ . 25732 1 760 . 1 1 62 62 PHE C C 13 177.325 0.000 . . . . . A 47 PHE C . 25732 1 761 . 1 1 62 62 PHE CA C 13 58.688 0.000 . . . . . A 47 PHE CA . 25732 1 762 . 1 1 62 62 PHE CB C 13 40.656 0.000 . . . . . A 47 PHE CB . 25732 1 763 . 1 1 62 62 PHE CD1 C 13 132.665 0.000 . . . . . A 47 PHE CD1 . 25732 1 764 . 1 1 62 62 PHE CD2 C 13 132.665 0.000 . . . . . A 47 PHE CD2 . 25732 1 765 . 1 1 62 62 PHE CE1 C 13 130.216 0.000 . . . . . A 47 PHE CE1 . 25732 1 766 . 1 1 62 62 PHE CE2 C 13 130.216 0.000 . . . . . A 47 PHE CE2 . 25732 1 767 . 1 1 62 62 PHE CZ C 13 129.07 0.000 . . . . . A 47 PHE CZ . 25732 1 768 . 1 1 62 62 PHE N N 15 127.72 0.000 . . . . . A 47 PHE N . 25732 1 769 . 1 1 63 63 ASP H H 1 9.745 0.000 . . . . . A 48 ASP H . 25732 1 770 . 1 1 63 63 ASP HA H 1 4.446 0.000 . . . . . A 48 ASP HA . 25732 1 771 . 1 1 63 63 ASP HB2 H 1 2.797 0.000 . . . . . A 48 ASP HB2 . 25732 1 772 . 1 1 63 63 ASP HB3 H 1 2.816 0.000 . . . . . A 48 ASP HB3 . 25732 1 773 . 1 1 63 63 ASP C C 13 176.559 0.000 . . . . . A 48 ASP C . 25732 1 774 . 1 1 63 63 ASP CA C 13 57.412 0.000 . . . . . A 48 ASP CA . 25732 1 775 . 1 1 63 63 ASP CB C 13 40.226 0.000 . . . . . A 48 ASP CB . 25732 1 776 . 1 1 63 63 ASP N N 15 122.571 0.000 . . . . . A 48 ASP N . 25732 1 777 . 1 1 64 64 ASP H H 1 7.875 0.000 . . . . . A 49 ASP H . 25732 1 778 . 1 1 64 64 ASP HA H 1 4.501 0.000 . . . . . A 49 ASP HA . 25732 1 779 . 1 1 64 64 ASP HB2 H 1 2.622 0.000 . . . . . A 49 ASP HB2 . 25732 1 780 . 1 1 64 64 ASP HB3 H 1 3.093 0.000 . . . . . A 49 ASP HB3 . 25732 1 781 . 1 1 64 64 ASP C C 13 176.633 0.000 . . . . . A 49 ASP C . 25732 1 782 . 1 1 64 64 ASP CA C 13 53.463 0.000 . . . . . A 49 ASP CA . 25732 1 783 . 1 1 64 64 ASP CB C 13 39.392 0.000 . . . . . A 49 ASP CB . 25732 1 784 . 1 1 64 64 ASP N N 15 117.272 0.000 . . . . . A 49 ASP N . 25732 1 785 . 1 1 65 65 ARG H H 1 8.39 0.000 . . . . . A 50 ARG H . 25732 1 786 . 1 1 65 65 ARG HA H 1 3.772 0.000 . . . . . A 50 ARG HA . 25732 1 787 . 1 1 65 65 ARG HB2 H 1 2.08 0.000 . . . . . A 50 ARG HB2 . 25732 1 788 . 1 1 65 65 ARG HB3 H 1 2.354 0.000 . . . . . A 50 ARG HB3 . 25732 1 789 . 1 1 65 65 ARG HG2 H 1 1.605 0.000 . . . . . A 50 ARG HG2 . 25732 1 790 . 1 1 65 65 ARG HG3 H 1 1.646 0.000 . . . . . A 50 ARG HG3 . 25732 1 791 . 1 1 65 65 ARG HD2 H 1 3.191 0.000 . . . . . A 50 ARG HD2 . 25732 1 792 . 1 1 65 65 ARG HD3 H 1 3.21 0.000 . . . . . A 50 ARG HD3 . 25732 1 793 . 1 1 65 65 ARG C C 13 175.545 0.000 . . . . . A 50 ARG C . 25732 1 794 . 1 1 65 65 ARG CA C 13 58.477 0.000 . . . . . A 50 ARG CA . 25732 1 795 . 1 1 65 65 ARG CB C 13 27.034 0.000 . . . . . A 50 ARG CB . 25732 1 796 . 1 1 65 65 ARG CG C 13 27.872 0.000 . . . . . A 50 ARG CG . 25732 1 797 . 1 1 65 65 ARG CD C 13 43.188 0.000 . . . . . A 50 ARG CD . 25732 1 798 . 1 1 65 65 ARG N N 15 111.986 0.000 . . . . . A 50 ARG N . 25732 1 799 . 1 1 66 66 SER H H 1 8.489 0.000 . . . . . A 51 SER H . 25732 1 800 . 1 1 66 66 SER HA H 1 4.529 0.000 . . . . . A 51 SER HA . 25732 1 801 . 1 1 66 66 SER HB2 H 1 3.878 0.000 . . . . . A 51 SER HB2 . 25732 1 802 . 1 1 66 66 SER HB3 H 1 4.009 0.000 . . . . . A 51 SER HB3 . 25732 1 803 . 1 1 66 66 SER C C 13 172.947 0.000 . . . . . A 51 SER C . 25732 1 804 . 1 1 66 66 SER CA C 13 58.793 0.000 . . . . . A 51 SER CA . 25732 1 805 . 1 1 66 66 SER CB C 13 64.896 0.000 . . . . . A 51 SER CB . 25732 1 806 . 1 1 66 66 SER N N 15 118.235 0.000 . . . . . A 51 SER N . 25732 1 807 . 1 1 67 67 SER H H 1 8.409 0.000 . . . . . A 52 SER H . 25732 1 808 . 1 1 67 67 SER HA H 1 5.987 0.000 . . . . . A 52 SER HA . 25732 1 809 . 1 1 67 67 SER HB2 H 1 3.57 0.000 . . . . . A 52 SER HB2 . 25732 1 810 . 1 1 67 67 SER HB3 H 1 3.648 0.000 . . . . . A 52 SER HB3 . 25732 1 811 . 1 1 67 67 SER C C 13 174.273 0.000 . . . . . A 52 SER C . 25732 1 812 . 1 1 67 67 SER CA C 13 57.091 0.000 . . . . . A 52 SER CA . 25732 1 813 . 1 1 67 67 SER CB C 13 66.437 0.000 . . . . . A 52 SER CB . 25732 1 814 . 1 1 67 67 SER N N 15 113.142 0.000 . . . . . A 52 SER N . 25732 1 815 . 1 1 68 68 THR H H 1 8.694 0.000 . . . . . A 53 THR H . 25732 1 816 . 1 1 68 68 THR HA H 1 4.472 0.000 . . . . . A 53 THR HA . 25732 1 817 . 1 1 68 68 THR HB H 1 4.149 0.000 . . . . . A 53 THR HB . 25732 1 818 . 1 1 68 68 THR HG21 H 1 0.741 0.000 . . . . . A 53 THR HG21 . 25732 1 819 . 1 1 68 68 THR HG22 H 1 0.741 0.000 . . . . . A 53 THR HG22 . 25732 1 820 . 1 1 68 68 THR HG23 H 1 0.741 0.000 . . . . . A 53 THR HG23 . 25732 1 821 . 1 1 68 68 THR C C 13 170.878 0.000 . . . . . A 53 THR C . 25732 1 822 . 1 1 68 68 THR CA C 13 61.147 0.000 . . . . . A 53 THR CA . 25732 1 823 . 1 1 68 68 THR CB C 13 69.918 0.000 . . . . . A 53 THR CB . 25732 1 824 . 1 1 68 68 THR CG2 C 13 20.792 0.000 . . . . . A 53 THR CG2 . 25732 1 825 . 1 1 68 68 THR N N 15 118.154 0.000 . . . . . A 53 THR N . 25732 1 826 . 1 1 69 69 TRP H H 1 7.581 0.000 . . . . . A 54 TRP H . 25732 1 827 . 1 1 69 69 TRP HA H 1 5.776 0.000 . . . . . A 54 TRP HA . 25732 1 828 . 1 1 69 69 TRP HB2 H 1 2.723 0.000 . . . . . A 54 TRP HB2 . 25732 1 829 . 1 1 69 69 TRP HB3 H 1 2.845 0.000 . . . . . A 54 TRP HB3 . 25732 1 830 . 1 1 69 69 TRP HD1 H 1 6.996 0.000 . . . . . A 54 TRP HD1 . 25732 1 831 . 1 1 69 69 TRP HE1 H 1 9.8 0.000 . . . . . A 54 TRP HE1 . 25732 1 832 . 1 1 69 69 TRP HE3 H 1 6.757 0.000 . . . . . A 54 TRP HE3 . 25732 1 833 . 1 1 69 69 TRP HZ2 H 1 7.263 0.000 . . . . . A 54 TRP HZ2 . 25732 1 834 . 1 1 69 69 TRP HZ3 H 1 5.425 0.000 . . . . . A 54 TRP HZ3 . 25732 1 835 . 1 1 69 69 TRP HH2 H 1 6.781 0.000 . . . . . A 54 TRP HH2 . 25732 1 836 . 1 1 69 69 TRP C C 13 173.704 0.000 . . . . . A 54 TRP C . 25732 1 837 . 1 1 69 69 TRP CA C 13 53.749 0.000 . . . . . A 54 TRP CA . 25732 1 838 . 1 1 69 69 TRP CB C 13 31.896 0.000 . . . . . A 54 TRP CB . 25732 1 839 . 1 1 69 69 TRP CD1 C 13 125.809 0.000 . . . . . A 54 TRP CD1 . 25732 1 840 . 1 1 69 69 TRP CE3 C 13 119.611 0.000 . . . . . A 54 TRP CE3 . 25732 1 841 . 1 1 69 69 TRP CZ2 C 13 113.891 0.000 . . . . . A 54 TRP CZ2 . 25732 1 842 . 1 1 69 69 TRP CZ3 C 13 122.083 0.000 . . . . . A 54 TRP CZ3 . 25732 1 843 . 1 1 69 69 TRP CH2 C 13 124.933 0.000 . . . . . A 54 TRP CH2 . 25732 1 844 . 1 1 69 69 TRP N N 15 119.867 0.000 . . . . . A 54 TRP N . 25732 1 845 . 1 1 69 69 TRP NE1 N 15 128.238 0.000 . . . . . A 54 TRP NE1 . 25732 1 846 . 1 1 70 70 PHE H H 1 9.128 0.000 . . . . . A 55 PHE H . 25732 1 847 . 1 1 70 70 PHE HA H 1 4.249 0.000 . . . . . A 55 PHE HA . 25732 1 848 . 1 1 70 70 PHE HB2 H 1 2.282 0.000 . . . . . A 55 PHE HB2 . 25732 1 849 . 1 1 70 70 PHE HB3 H 1 3.777 0.000 . . . . . A 55 PHE HB3 . 25732 1 850 . 1 1 70 70 PHE HD1 H 1 7.179 0.000 . . . . . A 55 PHE HD1 . 25732 1 851 . 1 1 70 70 PHE HD2 H 1 7.179 0.000 . . . . . A 55 PHE HD2 . 25732 1 852 . 1 1 70 70 PHE HE1 H 1 7.02 0.000 . . . . . A 55 PHE HE1 . 25732 1 853 . 1 1 70 70 PHE HE2 H 1 7.02 0.000 . . . . . A 55 PHE HE2 . 25732 1 854 . 1 1 70 70 PHE HZ H 1 6.815 0.000 . . . . . A 55 PHE HZ . 25732 1 855 . 1 1 70 70 PHE C C 13 175.91 0.000 . . . . . A 55 PHE C . 25732 1 856 . 1 1 70 70 PHE CA C 13 57.359 0.000 . . . . . A 55 PHE CA . 25732 1 857 . 1 1 70 70 PHE CB C 13 43.929 0.000 . . . . . A 55 PHE CB . 25732 1 858 . 1 1 70 70 PHE CD1 C 13 131.999 0.000 . . . . . A 55 PHE CD1 . 25732 1 859 . 1 1 70 70 PHE CD2 C 13 131.999 0.000 . . . . . A 55 PHE CD2 . 25732 1 860 . 1 1 70 70 PHE CE1 C 13 130.793 0.000 . . . . . A 55 PHE CE1 . 25732 1 861 . 1 1 70 70 PHE CE2 C 13 130.793 0.000 . . . . . A 55 PHE CE2 . 25732 1 862 . 1 1 70 70 PHE CZ C 13 128.399 0.000 . . . . . A 55 PHE CZ . 25732 1 863 . 1 1 70 70 PHE N N 15 118.304 0.000 . . . . . A 55 PHE N . 25732 1 864 . 1 1 71 71 PHE H H 1 9.775 0.000 . . . . . A 56 PHE H . 25732 1 865 . 1 1 71 71 PHE HA H 1 5.033 0.000 . . . . . A 56 PHE HA . 25732 1 866 . 1 1 71 71 PHE HB2 H 1 2.806 0.000 . . . . . A 56 PHE HB2 . 25732 1 867 . 1 1 71 71 PHE HB3 H 1 3.59 0.000 . . . . . A 56 PHE HB3 . 25732 1 868 . 1 1 71 71 PHE HD1 H 1 7.432 0.000 . . . . . A 56 PHE HD1 . 25732 1 869 . 1 1 71 71 PHE HD2 H 1 7.432 0.000 . . . . . A 56 PHE HD2 . 25732 1 870 . 1 1 71 71 PHE HE1 H 1 7.443 0.000 . . . . . A 56 PHE HE1 . 25732 1 871 . 1 1 71 71 PHE HE2 H 1 7.443 0.000 . . . . . A 56 PHE HE2 . 25732 1 872 . 1 1 71 71 PHE HZ H 1 7.485 0.000 . . . . . A 56 PHE HZ . 25732 1 873 . 1 1 71 71 PHE C C 13 178.784 0.000 . . . . . A 56 PHE C . 25732 1 874 . 1 1 71 71 PHE CA C 13 59.048 0.000 . . . . . A 56 PHE CA . 25732 1 875 . 1 1 71 71 PHE CB C 13 41.266 0.000 . . . . . A 56 PHE CB . 25732 1 876 . 1 1 71 71 PHE CD1 C 13 131.683 0.000 . . . . . A 56 PHE CD1 . 25732 1 877 . 1 1 71 71 PHE CD2 C 13 131.683 0.000 . . . . . A 56 PHE CD2 . 25732 1 878 . 1 1 71 71 PHE CE1 C 13 131.934 0.000 . . . . . A 56 PHE CE1 . 25732 1 879 . 1 1 71 71 PHE CE2 C 13 131.934 0.000 . . . . . A 56 PHE CE2 . 25732 1 880 . 1 1 71 71 PHE CZ C 13 129.837 0.000 . . . . . A 56 PHE CZ . 25732 1 881 . 1 1 71 71 PHE N N 15 121.44 0.000 . . . . . A 56 PHE N . 25732 1 882 . 1 1 72 72 GLU H H 1 9.337 0.000 . . . . . A 57 GLU H . 25732 1 883 . 1 1 72 72 GLU HA H 1 3.929 0.000 . . . . . A 57 GLU HA . 25732 1 884 . 1 1 72 72 GLU HB2 H 1 2.172 0.000 . . . . . A 57 GLU HB2 . 25732 1 885 . 1 1 72 72 GLU HB3 H 1 2.215 0.000 . . . . . A 57 GLU HB3 . 25732 1 886 . 1 1 72 72 GLU HG2 H 1 2.365 0.000 . . . . . A 57 GLU HG2 . 25732 1 887 . 1 1 72 72 GLU HG3 H 1 2.5 0.000 . . . . . A 57 GLU HG3 . 25732 1 888 . 1 1 72 72 GLU C C 13 176.333 0.000 . . . . . A 57 GLU C . 25732 1 889 . 1 1 72 72 GLU CA C 13 60.34 0.000 . . . . . A 57 GLU CA . 25732 1 890 . 1 1 72 72 GLU CB C 13 30.062 0.000 . . . . . A 57 GLU CB . 25732 1 891 . 1 1 72 72 GLU CG C 13 36.944 0.000 . . . . . A 57 GLU CG . 25732 1 892 . 1 1 72 72 GLU N N 15 120.008 0.000 . . . . . A 57 GLU N . 25732 1 893 . 1 1 73 73 ASP H H 1 8.341 0.000 . . . . . A 58 ASP H . 25732 1 894 . 1 1 73 73 ASP HA H 1 4.657 0.000 . . . . . A 58 ASP HA . 25732 1 895 . 1 1 73 73 ASP HB2 H 1 2.638 0.000 . . . . . A 58 ASP HB2 . 25732 1 896 . 1 1 73 73 ASP HB3 H 1 2.94 0.000 . . . . . A 58 ASP HB3 . 25732 1 897 . 1 1 73 73 ASP C C 13 177.076 0.000 . . . . . A 58 ASP C . 25732 1 898 . 1 1 73 73 ASP CA C 13 53.763 0.000 . . . . . A 58 ASP CA . 25732 1 899 . 1 1 73 73 ASP CB C 13 39.717 0.000 . . . . . A 58 ASP CB . 25732 1 900 . 1 1 73 73 ASP N N 15 110.542 0.000 . . . . . A 58 ASP N . 25732 1 901 . 1 1 74 74 GLU H H 1 8.137 0.000 . . . . . A 59 GLU H . 25732 1 902 . 1 1 74 74 GLU HA H 1 4.475 0.000 . . . . . A 59 GLU HA . 25732 1 903 . 1 1 74 74 GLU HB2 H 1 2.849 0.000 . . . . . A 59 GLU HB2 . 25732 1 904 . 1 1 74 74 GLU HB3 H 1 2.921 0.000 . . . . . A 59 GLU HB3 . 25732 1 905 . 1 1 74 74 GLU HG2 H 1 2.378 0.000 . . . . . A 59 GLU HG2 . 25732 1 906 . 1 1 74 74 GLU HG3 H 1 2.548 0.000 . . . . . A 59 GLU HG3 . 25732 1 907 . 1 1 74 74 GLU C C 13 176.172 0.000 . . . . . A 59 GLU C . 25732 1 908 . 1 1 74 74 GLU CA C 13 57.223 0.000 . . . . . A 59 GLU CA . 25732 1 909 . 1 1 74 74 GLU CB C 13 32.069 0.000 . . . . . A 59 GLU CB . 25732 1 910 . 1 1 74 74 GLU CG C 13 39.367 0.000 . . . . . A 59 GLU CG . 25732 1 911 . 1 1 74 74 GLU N N 15 118.867 0.000 . . . . . A 59 GLU N . 25732 1 912 . 1 1 75 75 VAL H H 1 7.26 0.000 . . . . . A 60 VAL H . 25732 1 913 . 1 1 75 75 VAL HA H 1 5.421 0.000 . . . . . A 60 VAL HA . 25732 1 914 . 1 1 75 75 VAL HB H 1 1.776 0.000 . . . . . A 60 VAL HB . 25732 1 915 . 1 1 75 75 VAL HG11 H 1 0.455 0.000 . . . . . A 60 VAL HG11 . 25732 1 916 . 1 1 75 75 VAL HG12 H 1 0.455 0.000 . . . . . A 60 VAL HG12 . 25732 1 917 . 1 1 75 75 VAL HG13 H 1 0.455 0.000 . . . . . A 60 VAL HG13 . 25732 1 918 . 1 1 75 75 VAL HG21 H 1 0.812 0.000 . . . . . A 60 VAL HG21 . 25732 1 919 . 1 1 75 75 VAL HG22 H 1 0.812 0.000 . . . . . A 60 VAL HG22 . 25732 1 920 . 1 1 75 75 VAL HG23 H 1 0.812 0.000 . . . . . A 60 VAL HG23 . 25732 1 921 . 1 1 75 75 VAL C C 13 174.147 0.000 . . . . . A 60 VAL C . 25732 1 922 . 1 1 75 75 VAL CA C 13 57.693 0.000 . . . . . A 60 VAL CA . 25732 1 923 . 1 1 75 75 VAL CB C 13 35.88 0.000 . . . . . A 60 VAL CB . 25732 1 924 . 1 1 75 75 VAL CG1 C 13 21.847 0.000 . . . . . A 60 VAL CG1 . 25732 1 925 . 1 1 75 75 VAL CG2 C 13 18.087 0.000 . . . . . A 60 VAL CG2 . 25732 1 926 . 1 1 75 75 VAL N N 15 107.744 0.000 . . . . . A 60 VAL N . 25732 1 927 . 1 1 76 76 GLU H H 1 8.436 0.000 . . . . . A 61 GLU H . 25732 1 928 . 1 1 76 76 GLU HA H 1 4.825 0.000 . . . . . A 61 GLU HA . 25732 1 929 . 1 1 76 76 GLU HB2 H 1 1.913 0.000 . . . . . A 61 GLU HB2 . 25732 1 930 . 1 1 76 76 GLU HB3 H 1 1.933 0.000 . . . . . A 61 GLU HB3 . 25732 1 931 . 1 1 76 76 GLU HG2 H 1 2.201 0.000 . . . . . A 61 GLU HG2 . 25732 1 932 . 1 1 76 76 GLU HG3 H 1 2.232 0.000 . . . . . A 61 GLU HG3 . 25732 1 933 . 1 1 76 76 GLU C C 13 175.337 0.000 . . . . . A 61 GLU C . 25732 1 934 . 1 1 76 76 GLU CA C 13 53.726 0.000 . . . . . A 61 GLU CA . 25732 1 935 . 1 1 76 76 GLU CB C 13 33.128 0.000 . . . . . A 61 GLU CB . 25732 1 936 . 1 1 76 76 GLU CG C 13 35.893 0.000 . . . . . A 61 GLU CG . 25732 1 937 . 1 1 76 76 GLU N N 15 117 0.000 . . . . . A 61 GLU N . 25732 1 938 . 1 1 77 77 VAL H H 1 8.838 0.000 . . . . . A 62 VAL H . 25732 1 939 . 1 1 77 77 VAL HA H 1 4.284 0.000 . . . . . A 62 VAL HA . 25732 1 940 . 1 1 77 77 VAL HB H 1 2.019 0.000 . . . . . A 62 VAL HB . 25732 1 941 . 1 1 77 77 VAL HG11 H 1 1.017 0.000 . . . . . A 62 VAL HG11 . 25732 1 942 . 1 1 77 77 VAL HG12 H 1 1.017 0.000 . . . . . A 62 VAL HG12 . 25732 1 943 . 1 1 77 77 VAL HG13 H 1 1.017 0.000 . . . . . A 62 VAL HG13 . 25732 1 944 . 1 1 77 77 VAL HG21 H 1 1.013 0.000 . . . . . A 62 VAL HG21 . 25732 1 945 . 1 1 77 77 VAL HG22 H 1 1.013 0.000 . . . . . A 62 VAL HG22 . 25732 1 946 . 1 1 77 77 VAL HG23 H 1 1.013 0.000 . . . . . A 62 VAL HG23 . 25732 1 947 . 1 1 77 77 VAL C C 13 176.697 0.000 . . . . . A 62 VAL C . 25732 1 948 . 1 1 77 77 VAL CA C 13 64.011 0.000 . . . . . A 62 VAL CA . 25732 1 949 . 1 1 77 77 VAL CB C 13 32.228 0.000 . . . . . A 62 VAL CB . 25732 1 950 . 1 1 77 77 VAL CG1 C 13 21.61 0.000 . . . . . A 62 VAL CG1 . 25732 1 951 . 1 1 77 77 VAL CG2 C 13 22.125 0.000 . . . . . A 62 VAL CG2 . 25732 1 952 . 1 1 77 77 VAL N N 15 123.895 0.000 . . . . . A 62 VAL N . 25732 1 953 . 1 1 78 78 VAL H H 1 8.412 0.000 . . . . . A 63 VAL H . 25732 1 954 . 1 1 78 78 VAL HA H 1 4.375 0.000 . . . . . A 63 VAL HA . 25732 1 955 . 1 1 78 78 VAL HB H 1 2.057 0.000 . . . . . A 63 VAL HB . 25732 1 956 . 1 1 78 78 VAL HG11 H 1 0.889 0.000 . . . . . A 63 VAL HG11 . 25732 1 957 . 1 1 78 78 VAL HG12 H 1 0.889 0.000 . . . . . A 63 VAL HG12 . 25732 1 958 . 1 1 78 78 VAL HG13 H 1 0.889 0.000 . . . . . A 63 VAL HG13 . 25732 1 959 . 1 1 78 78 VAL HG21 H 1 0.734 0.000 . . . . . A 63 VAL HG21 . 25732 1 960 . 1 1 78 78 VAL HG22 H 1 0.734 0.000 . . . . . A 63 VAL HG22 . 25732 1 961 . 1 1 78 78 VAL HG23 H 1 0.734 0.000 . . . . . A 63 VAL HG23 . 25732 1 962 . 1 1 78 78 VAL C C 13 175.064 0.000 . . . . . A 63 VAL C . 25732 1 963 . 1 1 78 78 VAL CA C 13 61.159 0.000 . . . . . A 63 VAL CA . 25732 1 964 . 1 1 78 78 VAL CB C 13 33.694 0.000 . . . . . A 63 VAL CB . 25732 1 965 . 1 1 78 78 VAL CG1 C 13 21.692 0.000 . . . . . A 63 VAL CG1 . 25732 1 966 . 1 1 78 78 VAL CG2 C 13 20.334 0.000 . . . . . A 63 VAL CG2 . 25732 1 967 . 1 1 78 78 VAL N N 15 123.668 0.000 . . . . . A 63 VAL N . 25732 1 968 . 1 1 79 79 GLY H H 1 7.947 0.000 . . . . . A 64 GLY H . 25732 1 969 . 1 1 79 79 GLY HA2 H 1 3.716 0.000 . . . . . A 64 GLY HA2 . 25732 1 970 . 1 1 79 79 GLY HA3 H 1 3.832 0.000 . . . . . A 64 GLY HA3 . 25732 1 971 . 1 1 79 79 GLY C C 13 178.476 0.000 . . . . . A 64 GLY C . 25732 1 972 . 1 1 79 79 GLY CA C 13 46.512 0.000 . . . . . A 64 GLY CA . 25732 1 973 . 1 1 79 79 GLY N N 15 117.608 0.000 . . . . . A 64 GLY N . 25732 1 stop_ save_