data_25763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25763 _Entry.Title ; Solution structure of an MbtH-like protein from Mycobacterium avium, Seattle Structural Genomics Center for Infectious Disease target MyavA.01649.c ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-20 _Entry.Accession_date 2015-08-20 _Entry.Last_release_date 2015-12-28 _Entry.Original_release_date 2015-12-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 25763 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 SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 25763 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SSGCID . 25763 'infectious diseases' . 25763 mbtH-like . 25763 tuberculosis . 25763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 25763 '15N chemical shifts' 62 25763 '1H chemical shifts' 322 25763 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-28 . original BMRB . 25763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N6G 'BMRB Entry Tracking System' 25763 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of a MbtH-like protein from Mycobacterium avium. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Garry Buchko . W. . 25763 1 2 Stephen Hewitt . N. . 25763 1 3 Wesley 'Van Voorhis' . C. . 25763 1 4 Peter Myler . J. . 25763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25763 _Assembly.ID 1 _Assembly.Name 'MbtH-like protein from Mycobacterium avium' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSMSINPFDDDNGSFFVL VNDEEQHSLWPAFADVPAGW RVVHGEADRAACLEYIEEHW PDIRPKSLRDKLATGRGFDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first four residues are non-native and remain after removal of the N-terminal tag containing a poly-histidine site.' _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8994.921 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25763 1 2 2 PRO . 25763 1 3 3 GLY . 25763 1 4 4 SER . 25763 1 5 5 MET . 25763 1 6 6 SER . 25763 1 7 7 ILE . 25763 1 8 8 ASN . 25763 1 9 9 PRO . 25763 1 10 10 PHE . 25763 1 11 11 ASP . 25763 1 12 12 ASP . 25763 1 13 13 ASP . 25763 1 14 14 ASN . 25763 1 15 15 GLY . 25763 1 16 16 SER . 25763 1 17 17 PHE . 25763 1 18 18 PHE . 25763 1 19 19 VAL . 25763 1 20 20 LEU . 25763 1 21 21 VAL . 25763 1 22 22 ASN . 25763 1 23 23 ASP . 25763 1 24 24 GLU . 25763 1 25 25 GLU . 25763 1 26 26 GLN . 25763 1 27 27 HIS . 25763 1 28 28 SER . 25763 1 29 29 LEU . 25763 1 30 30 TRP . 25763 1 31 31 PRO . 25763 1 32 32 ALA . 25763 1 33 33 PHE . 25763 1 34 34 ALA . 25763 1 35 35 ASP . 25763 1 36 36 VAL . 25763 1 37 37 PRO . 25763 1 38 38 ALA . 25763 1 39 39 GLY . 25763 1 40 40 TRP . 25763 1 41 41 ARG . 25763 1 42 42 VAL . 25763 1 43 43 VAL . 25763 1 44 44 HIS . 25763 1 45 45 GLY . 25763 1 46 46 GLU . 25763 1 47 47 ALA . 25763 1 48 48 ASP . 25763 1 49 49 ARG . 25763 1 50 50 ALA . 25763 1 51 51 ALA . 25763 1 52 52 CYS . 25763 1 53 53 LEU . 25763 1 54 54 GLU . 25763 1 55 55 TYR . 25763 1 56 56 ILE . 25763 1 57 57 GLU . 25763 1 58 58 GLU . 25763 1 59 59 HIS . 25763 1 60 60 TRP . 25763 1 61 61 PRO . 25763 1 62 62 ASP . 25763 1 63 63 ILE . 25763 1 64 64 ARG . 25763 1 65 65 PRO . 25763 1 66 66 LYS . 25763 1 67 67 SER . 25763 1 68 68 LEU . 25763 1 69 69 ARG . 25763 1 70 70 ASP . 25763 1 71 71 LYS . 25763 1 72 72 LEU . 25763 1 73 73 ALA . 25763 1 74 74 THR . 25763 1 75 75 GLY . 25763 1 76 76 ARG . 25763 1 77 77 GLY . 25763 1 78 78 PHE . 25763 1 79 79 ASP . 25763 1 80 80 GLN . 25763 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 . GLY 1 1 25763 1 . PRO 2 2 25763 1 . GLY 3 3 25763 1 . SER 4 4 25763 1 . MET 5 5 25763 1 . SER 6 6 25763 1 . ILE 7 7 25763 1 . ASN 8 8 25763 1 . PRO 9 9 25763 1 . PHE 10 10 25763 1 . ASP 11 11 25763 1 . ASP 12 12 25763 1 . ASP 13 13 25763 1 . ASN 14 14 25763 1 . GLY 15 15 25763 1 . SER 16 16 25763 1 . PHE 17 17 25763 1 . PHE 18 18 25763 1 . VAL 19 19 25763 1 . LEU 20 20 25763 1 . VAL 21 21 25763 1 . ASN 22 22 25763 1 . ASP 23 23 25763 1 . GLU 24 24 25763 1 . GLU 25 25 25763 1 . GLN 26 26 25763 1 . HIS 27 27 25763 1 . SER 28 28 25763 1 . LEU 29 29 25763 1 . TRP 30 30 25763 1 . PRO 31 31 25763 1 . ALA 32 32 25763 1 . PHE 33 33 25763 1 . ALA 34 34 25763 1 . ASP 35 35 25763 1 . VAL 36 36 25763 1 . PRO 37 37 25763 1 . ALA 38 38 25763 1 . GLY 39 39 25763 1 . TRP 40 40 25763 1 . ARG 41 41 25763 1 . VAL 42 42 25763 1 . VAL 43 43 25763 1 . HIS 44 44 25763 1 . GLY 45 45 25763 1 . GLU 46 46 25763 1 . ALA 47 47 25763 1 . ASP 48 48 25763 1 . ARG 49 49 25763 1 . ALA 50 50 25763 1 . ALA 51 51 25763 1 . CYS 52 52 25763 1 . LEU 53 53 25763 1 . GLU 54 54 25763 1 . TYR 55 55 25763 1 . ILE 56 56 25763 1 . GLU 57 57 25763 1 . GLU 58 58 25763 1 . HIS 59 59 25763 1 . TRP 60 60 25763 1 . PRO 61 61 25763 1 . ASP 62 62 25763 1 . ILE 63 63 25763 1 . ARG 64 64 25763 1 . PRO 65 65 25763 1 . LYS 66 66 25763 1 . SER 67 67 25763 1 . LEU 68 68 25763 1 . ARG 69 69 25763 1 . ASP 70 70 25763 1 . LYS 71 71 25763 1 . LEU 72 72 25763 1 . ALA 73 73 25763 1 . THR 74 74 25763 1 . GLY 75 75 25763 1 . ARG 76 76 25763 1 . GLY 77 77 25763 1 . PHE 78 78 25763 1 . ASP 79 79 25763 1 . GLN 80 80 25763 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 25763 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1794 organism . 'Mycobacterium avium' 'high GC Gram+' . . Bacteria . Mycobacterium avium 104 . . . . . . . . . . . . 25763 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 25763 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . AVA0421 . . . 25763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25763 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium chloride' 'natural abundance' . . 1 $entity . . 100 . . mM 3 . . . 25763 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 25763 1 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 25763 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25763 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25763 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25763 _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' 0.12 0.002 M 25763 1 pH 7 0.2 pH 25763 1 pressure 1 . atm 25763 1 temperature 293 1 K 25763 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25763 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25763 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25763 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25763 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25763 _Software.ID 3 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25763 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25763 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25763 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25763 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25763 4 'peak picking' 25763 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25763 _Software.ID 5 _Software.Name PSVS _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25763 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25763 5 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 25763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25763 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25763 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25763 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25763 _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 Agilent INOVA . 600 . . . 25763 1 2 spectrometer_2 Agilent INOVA . 500 . . . 25763 1 3 spectrometer_3 Agilent VNMRS . 750 . . . 25763 1 4 spectrometer_4 Agilent VNMRS . 800 . . . 25763 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 25763 _Experiment_list.ID 1 _Experiment_list.Details 'The sample was not very stable and multiple samples were made (same conditions) to collect the data.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25763 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25763 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25763 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25763 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25763 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25763 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25763 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25763 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25763 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25763 1 11 'deuterium exchange' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25763 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25763 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25763 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25763 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D C(CO)NH' . . . 25763 1 6 '3D 1H-13C NOESY aliphatic' . . . 25763 1 8 '3D 1H-13C NOESY aromatic' . . . 25763 1 9 '3D HNCACB' . . . 25763 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 25763 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 2 2 PRO HG2 H 1 2.09 0.02 . 2 . . . A 2 PRO HG2 . 25763 1 2 . 1 1 2 2 PRO HG3 H 1 2.07 0.02 . 2 . . . A 2 PRO HG3 . 25763 1 3 . 1 1 2 2 PRO HD2 H 1 3.67 0.02 . 2 . . . A 2 PRO HD2 . 25763 1 4 . 1 1 2 2 PRO HD3 H 1 3.62 0.02 . 2 . . . A 2 PRO HD3 . 25763 1 5 . 1 1 2 2 PRO CA C 13 53.5 0.2 . 1 . . . A 2 PRO CA . 25763 1 6 . 1 1 2 2 PRO CB C 13 32.2 0.2 . 1 . . . A 2 PRO CB . 25763 1 7 . 1 1 2 2 PRO CG C 13 26.9 0.2 . 1 . . . A 2 PRO CG . 25763 1 8 . 1 1 2 2 PRO CD C 13 49.4 0.2 . 1 . . . A 2 PRO CD . 25763 1 9 . 1 1 3 3 GLY H H 1 8.80 0.02 . 1 . . . A 3 GLY H . 25763 1 10 . 1 1 3 3 GLY HA2 H 1 4.05 0.02 . 2 . . . A 3 GLY HA2 . 25763 1 11 . 1 1 3 3 GLY HA3 H 1 4.05 0.02 . 2 . . . A 3 GLY HA3 . 25763 1 12 . 1 1 3 3 GLY C C 13 174.1 0.2 . 1 . . . A 3 GLY C . 25763 1 13 . 1 1 3 3 GLY CA C 13 45.1 0.2 . 1 . . . A 3 GLY CA . 25763 1 14 . 1 1 3 3 GLY N N 15 109.8 0.2 . 1 . . . A 3 GLY N . 25763 1 15 . 1 1 4 4 SER H H 1 8.28 0.02 . 1 . . . A 4 SER H . 25763 1 16 . 1 1 4 4 SER HA H 1 4.51 0.02 . 1 . . . A 4 SER HA . 25763 1 17 . 1 1 4 4 SER HB2 H 1 3.93 0.02 . 2 . . . A 4 SER HB2 . 25763 1 18 . 1 1 4 4 SER HB3 H 1 3.93 0.02 . 2 . . . A 4 SER HB3 . 25763 1 19 . 1 1 4 4 SER C C 13 174.4 0.2 . 1 . . . A 4 SER C . 25763 1 20 . 1 1 4 4 SER CA C 13 58.2 0.2 . 1 . . . A 4 SER CA . 25763 1 21 . 1 1 4 4 SER CB C 13 63.5 0.2 . 1 . . . A 4 SER CB . 25763 1 22 . 1 1 4 4 SER N N 15 115.2 0.2 . 1 . . . A 4 SER N . 25763 1 23 . 1 1 5 5 MET HA H 1 4.20 0.02 . 1 . . . A 5 MET HA . 25763 1 24 . 1 1 5 5 MET HE1 H 1 0.97 0.02 . 1 . . . A 5 MET HE1 . 25763 1 25 . 1 1 5 5 MET HE2 H 1 0.97 0.02 . 1 . . . A 5 MET HE2 . 25763 1 26 . 1 1 5 5 MET HE3 H 1 0.97 0.02 . 1 . . . A 5 MET HE3 . 25763 1 27 . 1 1 5 5 MET C C 13 175.8 0.2 . 1 . . . A 5 MET C . 25763 1 28 . 1 1 5 5 MET CA C 13 61.9 0.2 . 1 . . . A 5 MET CA . 25763 1 29 . 1 1 5 5 MET CB C 13 32.9 0.2 . 1 . . . A 5 MET CB . 25763 1 30 . 1 1 5 5 MET CG C 13 20.5 0.2 . 1 . . . A 5 MET CG . 25763 1 31 . 1 1 5 5 MET CE C 13 20.9 0.2 . 1 . . . A 5 MET CE . 25763 1 32 . 1 1 6 6 SER H H 1 8.53 0.02 . 1 . . . A 6 SER H . 25763 1 33 . 1 1 6 6 SER HA H 1 4.55 0.02 . 1 . . . A 6 SER HA . 25763 1 34 . 1 1 6 6 SER HB2 H 1 3.86 0.02 . 2 . . . A 6 SER HB2 . 25763 1 35 . 1 1 6 6 SER HB3 H 1 3.86 0.02 . 2 . . . A 6 SER HB3 . 25763 1 36 . 1 1 6 6 SER C C 13 174.1 0.2 . 1 . . . A 6 SER C . 25763 1 37 . 1 1 6 6 SER CA C 13 57.7 0.2 . 1 . . . A 6 SER CA . 25763 1 38 . 1 1 6 6 SER CB C 13 63.5 0.2 . 1 . . . A 6 SER CB . 25763 1 39 . 1 1 6 6 SER N N 15 119.7 0.2 . 1 . . . A 6 SER N . 25763 1 40 . 1 1 7 7 ILE H H 1 8.36 0.02 . 1 . . . A 7 ILE H . 25763 1 41 . 1 1 7 7 ILE HA H 1 4.24 0.02 . 1 . . . A 7 ILE HA . 25763 1 42 . 1 1 7 7 ILE HB H 1 1.89 0.02 . 1 . . . A 7 ILE HB . 25763 1 43 . 1 1 7 7 ILE HG12 H 1 1.48 0.02 . 2 . . . A 7 ILE HG12 . 25763 1 44 . 1 1 7 7 ILE HG13 H 1 1.20 0.02 . 2 . . . A 7 ILE HG13 . 25763 1 45 . 1 1 7 7 ILE HG21 H 1 0.90 0.02 . 1 . . . A 7 ILE HG21 . 25763 1 46 . 1 1 7 7 ILE HG22 H 1 0.90 0.02 . 1 . . . A 7 ILE HG22 . 25763 1 47 . 1 1 7 7 ILE HG23 H 1 0.90 0.02 . 1 . . . A 7 ILE HG23 . 25763 1 48 . 1 1 7 7 ILE HD11 H 1 0.81 0.02 . 1 . . . A 7 ILE HD11 . 25763 1 49 . 1 1 7 7 ILE HD12 H 1 0.81 0.02 . 1 . . . A 7 ILE HD12 . 25763 1 50 . 1 1 7 7 ILE HD13 H 1 0.81 0.02 . 1 . . . A 7 ILE HD13 . 25763 1 51 . 1 1 7 7 ILE CA C 13 60.5 0.2 . 1 . . . A 7 ILE CA . 25763 1 52 . 1 1 7 7 ILE CB C 13 38.8 0.2 . 1 . . . A 7 ILE CB . 25763 1 53 . 1 1 7 7 ILE CG1 C 13 27.0 0.2 . 1 . . . A 7 ILE CG1 . 25763 1 54 . 1 1 7 7 ILE CG2 C 13 17.2 0.2 . 1 . . . A 7 ILE CG2 . 25763 1 55 . 1 1 7 7 ILE CD1 C 13 12.9 0.2 . 1 . . . A 7 ILE CD1 . 25763 1 56 . 1 1 7 7 ILE N N 15 122.4 0.2 . 1 . . . A 7 ILE N . 25763 1 57 . 1 1 8 8 ASN H H 1 8.70 0.02 . 1 . . . A 8 ASN H . 25763 1 58 . 1 1 8 8 ASN HB2 H 1 2.91 0.02 . 2 . . . A 8 ASN HB2 . 25763 1 59 . 1 1 8 8 ASN HB3 H 1 2.76 0.02 . 2 . . . A 8 ASN HB3 . 25763 1 60 . 1 1 8 8 ASN HD21 H 1 7.71 0.02 . 2 . . . A 8 ASN HD21 . 25763 1 61 . 1 1 8 8 ASN HD22 H 1 7.14 0.02 . 2 . . . A 8 ASN HD22 . 25763 1 62 . 1 1 8 8 ASN CA C 13 51.0 0.2 . 1 . . . A 8 ASN CA . 25763 1 63 . 1 1 8 8 ASN CB C 13 38.8 0.2 . 1 . . . A 8 ASN CB . 25763 1 64 . 1 1 8 8 ASN N N 15 123.6 0.2 . 1 . . . A 8 ASN N . 25763 1 65 . 1 1 8 8 ASN ND2 N 15 112.7 0.2 . 1 . . . A 8 ASN ND2 . 25763 1 66 . 1 1 13 13 ASP HA H 1 4.62 0.02 . 1 . . . A 13 ASP HA . 25763 1 67 . 1 1 13 13 ASP HB2 H 1 2.81 0.02 . 2 . . . A 13 ASP HB2 . 25763 1 68 . 1 1 13 13 ASP HB3 H 1 2.71 0.02 . 2 . . . A 13 ASP HB3 . 25763 1 69 . 1 1 13 13 ASP C C 13 176.8 0.2 . 1 . . . A 13 ASP C . 25763 1 70 . 1 1 13 13 ASP CA C 13 55.7 0.2 . 1 . . . A 13 ASP CA . 25763 1 71 . 1 1 13 13 ASP CB C 13 40.9 0.2 . 1 . . . A 13 ASP CB . 25763 1 72 . 1 1 14 14 ASN H H 1 8.72 0.02 . 1 . . . A 14 ASN H . 25763 1 73 . 1 1 14 14 ASN HB2 H 1 2.99 0.02 . 2 . . . A 14 ASN HB2 . 25763 1 74 . 1 1 14 14 ASN HB3 H 1 2.85 0.02 . 2 . . . A 14 ASN HB3 . 25763 1 75 . 1 1 14 14 ASN HD21 H 1 7.91 0.02 . 2 . . . A 14 ASN HD21 . 25763 1 76 . 1 1 14 14 ASN HD22 H 1 7.08 0.02 . 2 . . . A 14 ASN HD22 . 25763 1 77 . 1 1 14 14 ASN C C 13 175.6 0.2 . 1 . . . A 14 ASN C . 25763 1 78 . 1 1 14 14 ASN CA C 13 53.3 0.2 . 1 . . . A 14 ASN CA . 25763 1 79 . 1 1 14 14 ASN CB C 13 39.1 0.2 . 1 . . . A 14 ASN CB . 25763 1 80 . 1 1 14 14 ASN N N 15 117.7 0.2 . 1 . . . A 14 ASN N . 25763 1 81 . 1 1 14 14 ASN ND2 N 15 114.3 0.2 . 1 . . . A 14 ASN ND2 . 25763 1 82 . 1 1 15 15 GLY H H 1 8.16 0.02 . 1 . . . A 15 GLY H . 25763 1 83 . 1 1 15 15 GLY HA2 H 1 4.07 0.02 . 2 . . . A 15 GLY HA2 . 25763 1 84 . 1 1 15 15 GLY HA3 H 1 4.07 0.02 . 2 . . . A 15 GLY HA3 . 25763 1 85 . 1 1 15 15 GLY C C 13 172.6 0.2 . 1 . . . A 15 GLY C . 25763 1 86 . 1 1 15 15 GLY CA C 13 45.1 0.2 . 1 . . . A 15 GLY CA . 25763 1 87 . 1 1 15 15 GLY N N 15 107.5 0.2 . 1 . . . A 15 GLY N . 25763 1 88 . 1 1 16 16 SER H H 1 7.78 0.02 . 1 . . . A 16 SER H . 25763 1 89 . 1 1 16 16 SER HA H 1 4.71 0.02 . 1 . . . A 16 SER HA . 25763 1 90 . 1 1 16 16 SER HB2 H 1 3.49 0.02 . 2 . . . A 16 SER HB2 . 25763 1 91 . 1 1 16 16 SER HB3 H 1 3.49 0.02 . 2 . . . A 16 SER HB3 . 25763 1 92 . 1 1 16 16 SER C C 13 174.1 0.2 . 1 . . . A 16 SER C . 25763 1 93 . 1 1 16 16 SER CA C 13 57.3 0.2 . 1 . . . A 16 SER CA . 25763 1 94 . 1 1 16 16 SER CB C 13 64.2 0.2 . 1 . . . A 16 SER CB . 25763 1 95 . 1 1 16 16 SER N N 15 114.0 0.2 . 1 . . . A 16 SER N . 25763 1 96 . 1 1 17 17 PHE H H 1 9.57 0.02 . 1 . . . A 17 PHE H . 25763 1 97 . 1 1 17 17 PHE CA C 13 57.7 0.2 . 1 . . . A 17 PHE CA . 25763 1 98 . 1 1 17 17 PHE CB C 13 46.0 0.2 . 1 . . . A 17 PHE CB . 25763 1 99 . 1 1 17 17 PHE N N 15 123.0 0.2 . 1 . . . A 17 PHE N . 25763 1 100 . 1 1 18 18 PHE H H 1 9.68 0.02 . 1 . . . A 18 PHE H . 25763 1 101 . 1 1 18 18 PHE HA H 1 5.76 0.02 . 1 . . . A 18 PHE HA . 25763 1 102 . 1 1 18 18 PHE HB2 H 1 3.49 0.02 . 2 . . . A 18 PHE HB2 . 25763 1 103 . 1 1 18 18 PHE HB3 H 1 2.78 0.02 . 2 . . . A 18 PHE HB3 . 25763 1 104 . 1 1 18 18 PHE HD1 H 1 7.23 0.02 . 3 . . . A 18 PHE HD1 . 25763 1 105 . 1 1 18 18 PHE HD2 H 1 7.23 0.02 . 3 . . . A 18 PHE HD2 . 25763 1 106 . 1 1 18 18 PHE C C 13 177.0 0.2 . 1 . . . A 18 PHE C . 25763 1 107 . 1 1 18 18 PHE CA C 13 55.4 0.2 . 1 . . . A 18 PHE CA . 25763 1 108 . 1 1 18 18 PHE CB C 13 44.2 0.2 . 1 . . . A 18 PHE CB . 25763 1 109 . 1 1 18 18 PHE CD1 C 13 131.4 0.2 . 3 . . . A 18 PHE CD1 . 25763 1 110 . 1 1 18 18 PHE CD2 C 13 131.4 0.2 . 3 . . . A 18 PHE CD2 . 25763 1 111 . 1 1 18 18 PHE N N 15 114.9 0.2 . 1 . . . A 18 PHE N . 25763 1 112 . 1 1 19 19 VAL H H 1 8.72 0.02 . 1 . . . A 19 VAL H . 25763 1 113 . 1 1 19 19 VAL HG11 H 1 1.23 0.02 . 2 . . . A 19 VAL HG11 . 25763 1 114 . 1 1 19 19 VAL HG12 H 1 1.23 0.02 . 2 . . . A 19 VAL HG12 . 25763 1 115 . 1 1 19 19 VAL HG13 H 1 1.23 0.02 . 2 . . . A 19 VAL HG13 . 25763 1 116 . 1 1 19 19 VAL HG21 H 1 1.23 0.02 . 2 . . . A 19 VAL HG21 . 25763 1 117 . 1 1 19 19 VAL HG22 H 1 1.23 0.02 . 2 . . . A 19 VAL HG22 . 25763 1 118 . 1 1 19 19 VAL HG23 H 1 1.23 0.02 . 2 . . . A 19 VAL HG23 . 25763 1 119 . 1 1 19 19 VAL C C 13 175.0 0.2 . 1 . . . A 19 VAL C . 25763 1 120 . 1 1 19 19 VAL CA C 13 62.4 0.2 . 1 . . . A 19 VAL CA . 25763 1 121 . 1 1 19 19 VAL CB C 13 33.0 0.2 . 1 . . . A 19 VAL CB . 25763 1 122 . 1 1 19 19 VAL CG1 C 13 21.5 0.2 . 2 . . . A 19 VAL CG1 . 25763 1 123 . 1 1 19 19 VAL CG2 C 13 21.5 0.2 . 2 . . . A 19 VAL CG2 . 25763 1 124 . 1 1 19 19 VAL N N 15 117.0 0.2 . 1 . . . A 19 VAL N . 25763 1 125 . 1 1 20 20 LEU H H 1 9.49 0.02 . 1 . . . A 20 LEU H . 25763 1 126 . 1 1 20 20 LEU HA H 1 5.87 0.02 . 1 . . . A 20 LEU HA . 25763 1 127 . 1 1 20 20 LEU HD11 H 1 0.67 0.02 . 2 . . . A 20 LEU HD11 . 25763 1 128 . 1 1 20 20 LEU HD12 H 1 0.67 0.02 . 2 . . . A 20 LEU HD12 . 25763 1 129 . 1 1 20 20 LEU HD13 H 1 0.67 0.02 . 2 . . . A 20 LEU HD13 . 25763 1 130 . 1 1 20 20 LEU HD21 H 1 0.67 0.02 . 2 . . . A 20 LEU HD21 . 25763 1 131 . 1 1 20 20 LEU HD22 H 1 0.67 0.02 . 2 . . . A 20 LEU HD22 . 25763 1 132 . 1 1 20 20 LEU HD23 H 1 0.67 0.02 . 2 . . . A 20 LEU HD23 . 25763 1 133 . 1 1 20 20 LEU C C 13 176.8 0.2 . 1 . . . A 20 LEU C . 25763 1 134 . 1 1 20 20 LEU CA C 13 52.0 0.02 . 1 . . . A 20 LEU CA . 25763 1 135 . 1 1 20 20 LEU CD1 C 13 24.8 0.2 . 2 . . . A 20 LEU CD1 . 25763 1 136 . 1 1 20 20 LEU CD2 C 13 24.8 0.2 . 2 . . . A 20 LEU CD2 . 25763 1 137 . 1 1 20 20 LEU N N 15 126.4 0.2 . 1 . . . A 20 LEU N . 25763 1 138 . 1 1 21 21 VAL H H 1 9.21 0.02 . 1 . . . A 21 VAL H . 25763 1 139 . 1 1 21 21 VAL HA H 1 5.74 0.02 . 1 . . . A 21 VAL HA . 25763 1 140 . 1 1 21 21 VAL HG11 H 1 1.12 0.02 . 2 . . . A 21 VAL HG11 . 25763 1 141 . 1 1 21 21 VAL HG12 H 1 1.12 0.02 . 2 . . . A 21 VAL HG12 . 25763 1 142 . 1 1 21 21 VAL HG13 H 1 1.12 0.02 . 2 . . . A 21 VAL HG13 . 25763 1 143 . 1 1 21 21 VAL HG21 H 1 1.00 0.02 . 2 . . . A 21 VAL HG21 . 25763 1 144 . 1 1 21 21 VAL HG22 H 1 1.00 0.02 . 2 . . . A 21 VAL HG22 . 25763 1 145 . 1 1 21 21 VAL HG23 H 1 1.00 0.02 . 2 . . . A 21 VAL HG23 . 25763 1 146 . 1 1 21 21 VAL C C 13 174.6 0.2 . 1 . . . A 21 VAL C . 25763 1 147 . 1 1 21 21 VAL CA C 13 59.1 0.2 . 1 . . . A 21 VAL CA . 25763 1 148 . 1 1 21 21 VAL CG1 C 13 21.7 0.2 . 2 . . . A 21 VAL CG1 . 25763 1 149 . 1 1 21 21 VAL CG2 C 13 20.6 0.2 . 2 . . . A 21 VAL CG2 . 25763 1 150 . 1 1 21 21 VAL N N 15 114.2 0.2 . 1 . . . A 21 VAL N . 25763 1 151 . 1 1 22 22 ASN H H 1 7.39 0.02 . 1 . . . A 22 ASN H . 25763 1 152 . 1 1 22 22 ASN C C 13 177.5 0.2 . 1 . . . A 22 ASN C . 25763 1 153 . 1 1 22 22 ASN CA C 13 49.6 0.2 . 1 . . . A 22 ASN CA . 25763 1 154 . 1 1 22 22 ASN N N 15 121.0 0.2 . 1 . . . A 22 ASN N . 25763 1 155 . 1 1 23 23 ASP H H 1 8.38 0.02 . 1 . . . A 23 ASP H . 25763 1 156 . 1 1 23 23 ASP HA H 1 4.50 0.02 . 1 . . . A 23 ASP HA . 25763 1 157 . 1 1 23 23 ASP HB2 H 1 2.77 0.02 . 2 . . . A 23 ASP HB2 . 25763 1 158 . 1 1 23 23 ASP HB3 H 1 2.58 0.02 . 2 . . . A 23 ASP HB3 . 25763 1 159 . 1 1 23 23 ASP C C 13 176.5 0.2 . 1 . . . A 23 ASP C . 25763 1 160 . 1 1 23 23 ASP CA C 13 56.1 0.2 . 1 . . . A 23 ASP CA . 25763 1 161 . 1 1 23 23 ASP CB C 13 39.7 0.2 . 1 . . . A 23 ASP CB . 25763 1 162 . 1 1 23 23 ASP N N 15 117.6 0.2 . 1 . . . A 23 ASP N . 25763 1 163 . 1 1 24 24 GLU H H 1 7.30 0.02 . 1 . . . A 24 GLU H . 25763 1 164 . 1 1 24 24 GLU HA H 1 4.44 0.02 . 1 . . . A 24 GLU HA . 25763 1 165 . 1 1 24 24 GLU HB2 H 1 2.26 0.02 . 2 . . . A 24 GLU HB2 . 25763 1 166 . 1 1 24 24 GLU HB3 H 1 1.68 0.02 . 2 . . . A 24 GLU HB3 . 25763 1 167 . 1 1 24 24 GLU HG2 H 1 2.12 0.02 . 2 . . . A 24 GLU HG2 . 25763 1 168 . 1 1 24 24 GLU HG3 H 1 2.12 0.02 . 2 . . . A 24 GLU HG3 . 25763 1 169 . 1 1 24 24 GLU C C 13 175.1 0.2 . 1 . . . A 24 GLU C . 25763 1 170 . 1 1 24 24 GLU CA C 13 55.4 0.2 . 1 . . . A 24 GLU CA . 25763 1 171 . 1 1 24 24 GLU CB C 13 29.1 0.2 . 1 . . . A 24 GLU CB . 25763 1 172 . 1 1 24 24 GLU CG C 13 36.2 0.2 . 1 . . . A 24 GLU CG . 25763 1 173 . 1 1 24 24 GLU N N 15 117.9 0.2 . 1 . . . A 24 GLU N . 25763 1 174 . 1 1 25 25 GLU H H 1 8.12 0.02 . 1 . . . A 25 GLU H . 25763 1 175 . 1 1 25 25 GLU HA H 1 3.83 0.02 . 1 . . . A 25 GLU HA . 25763 1 176 . 1 1 25 25 GLU HB2 H 1 2.50 0.02 . 2 . . . A 25 GLU HB2 . 25763 1 177 . 1 1 25 25 GLU HB3 H 1 2.28 0.02 . 2 . . . A 25 GLU HB3 . 25763 1 178 . 1 1 25 25 GLU HG2 H 1 2.29 0.02 . 2 . . . A 25 GLU HG2 . 25763 1 179 . 1 1 25 25 GLU HG3 H 1 2.29 0.02 . 2 . . . A 25 GLU HG3 . 25763 1 180 . 1 1 25 25 GLU C C 13 175.9 0.2 . 1 . . . A 25 GLU C . 25763 1 181 . 1 1 25 25 GLU CA C 13 57.7 0.2 . 1 . . . A 25 GLU CA . 25763 1 182 . 1 1 25 25 GLU CB C 13 26.5 0.2 . 1 . . . A 25 GLU CB . 25763 1 183 . 1 1 25 25 GLU CG C 13 36.8 0.2 . 1 . . . A 25 GLU CG . 25763 1 184 . 1 1 25 25 GLU N N 15 113.0 0.2 . 1 . . . A 25 GLU N . 25763 1 185 . 1 1 26 26 GLN H H 1 7.77 0.02 . 1 . . . A 26 GLN H . 25763 1 186 . 1 1 26 26 GLN HA H 1 4.37 0.02 . 1 . . . A 26 GLN HA . 25763 1 187 . 1 1 26 26 GLN CA C 13 54.6 0.2 . 1 . . . A 26 GLN CA . 25763 1 188 . 1 1 26 26 GLN CB C 13 29.4 0.2 . 1 . . . A 26 GLN CB . 25763 1 189 . 1 1 26 26 GLN N N 15 117.1 0.2 . 1 . . . A 26 GLN N . 25763 1 190 . 1 1 27 27 HIS HA H 1 6.12 0.02 . 1 . . . A 27 HIS HA . 25763 1 191 . 1 1 27 27 HIS C C 13 174.1 0.2 . 1 . . . A 27 HIS C . 25763 1 192 . 1 1 27 27 HIS CA C 13 53.9 0.2 . 1 . . . A 27 HIS CA . 25763 1 193 . 1 1 28 28 SER H H 1 8.83 0.02 . 1 . . . A 28 SER H . 25763 1 194 . 1 1 28 28 SER C C 13 173.2 0.2 . 1 . . . A 28 SER C . 25763 1 195 . 1 1 28 28 SER CA C 13 57.7 0.2 . 1 . . . A 28 SER CA . 25763 1 196 . 1 1 28 28 SER N N 15 111.9 0.2 . 1 . . . A 28 SER N . 25763 1 197 . 1 1 29 29 LEU H H 1 8.84 0.02 . 1 . . . A 29 LEU H . 25763 1 198 . 1 1 29 29 LEU HA H 1 5.31 0.02 . 1 . . . A 29 LEU HA . 25763 1 199 . 1 1 29 29 LEU CA C 13 55.2 0.2 . 1 . . . A 29 LEU CA . 25763 1 200 . 1 1 29 29 LEU N N 15 126.0 0.2 . 1 . . . A 29 LEU N . 25763 1 201 . 1 1 30 30 TRP HD1 H 1 7.00 0.02 . 1 . . . A 30 TRP HD1 . 25763 1 202 . 1 1 30 30 TRP HE1 H 1 9.16 0.02 . 1 . . . A 30 TRP HE1 . 25763 1 203 . 1 1 30 30 TRP HZ2 H 1 7.50 0.02 . 1 . . . A 30 TRP HZ2 . 25763 1 204 . 1 1 30 30 TRP HH2 H 1 7.41 0.02 . 1 . . . A 30 TRP HH2 . 25763 1 205 . 1 1 30 30 TRP CD1 C 13 127.2 0.2 . 1 . . . A 30 TRP CD1 . 25763 1 206 . 1 1 30 30 TRP CZ2 C 13 115.4 0.2 . 1 . . . A 30 TRP CZ2 . 25763 1 207 . 1 1 30 30 TRP NE1 N 15 129.1 0.2 . 1 . . . A 30 TRP NE1 . 25763 1 208 . 1 1 31 31 PRO HA H 1 5.07 0.02 . 1 . . . A 31 PRO HA . 25763 1 209 . 1 1 31 31 PRO HB2 H 1 2.42 0.02 . 2 . . . A 31 PRO HB2 . 25763 1 210 . 1 1 31 31 PRO HB3 H 1 1.92 0.02 . 2 . . . A 31 PRO HB3 . 25763 1 211 . 1 1 31 31 PRO HG2 H 1 1.96 0.02 . 2 . . . A 31 PRO HG2 . 25763 1 212 . 1 1 31 31 PRO HG3 H 1 1.96 0.02 . 2 . . . A 31 PRO HG3 . 25763 1 213 . 1 1 31 31 PRO HD2 H 1 3.47 0.02 . 2 . . . A 31 PRO HD2 . 25763 1 214 . 1 1 31 31 PRO HD3 H 1 3.17 0.02 . 2 . . . A 31 PRO HD3 . 25763 1 215 . 1 1 31 31 PRO C C 13 176.3 0.2 . 1 . . . A 31 PRO C . 25763 1 216 . 1 1 31 31 PRO CA C 13 62.0 0.2 . 1 . . . A 31 PRO CA . 25763 1 217 . 1 1 31 31 PRO CB C 13 32.0 0.2 . 1 . . . A 31 PRO CB . 25763 1 218 . 1 1 31 31 PRO CG C 13 27.0 0.2 . 1 . . . A 31 PRO CG . 25763 1 219 . 1 1 31 31 PRO CD C 13 49.9 0.2 . 1 . . . A 31 PRO CD . 25763 1 220 . 1 1 32 32 ALA H H 1 7.94 0.02 . 1 . . . A 32 ALA H . 25763 1 221 . 1 1 32 32 ALA HA H 1 3.86 0.02 . 1 . . . A 32 ALA HA . 25763 1 222 . 1 1 32 32 ALA HB1 H 1 0.55 0.02 . 1 . . . A 32 ALA HB1 . 25763 1 223 . 1 1 32 32 ALA HB2 H 1 0.55 0.02 . 1 . . . A 32 ALA HB2 . 25763 1 224 . 1 1 32 32 ALA HB3 H 1 0.55 0.02 . 1 . . . A 32 ALA HB3 . 25763 1 225 . 1 1 32 32 ALA C C 13 177.6 0.2 . 1 . . . A 32 ALA C . 25763 1 226 . 1 1 32 32 ALA CA C 13 53.5 0.2 . 1 . . . A 32 ALA CA . 25763 1 227 . 1 1 32 32 ALA CB C 13 17.6 0.2 . 1 . . . A 32 ALA CB . 25763 1 228 . 1 1 32 32 ALA N N 15 121.5 0.2 . 1 . . . A 32 ALA N . 25763 1 229 . 1 1 33 33 PHE H H 1 6.97 0.02 . 1 . . . A 33 PHE H . 25763 1 230 . 1 1 33 33 PHE HA H 1 4.54 0.02 . 1 . . . A 33 PHE HA . 25763 1 231 . 1 1 33 33 PHE HB2 H 1 3.32 0.02 . 2 . . . A 33 PHE HB2 . 25763 1 232 . 1 1 33 33 PHE HB3 H 1 2.91 0.02 . 2 . . . A 33 PHE HB3 . 25763 1 233 . 1 1 33 33 PHE C C 13 174.7 0.2 . 1 . . . A 33 PHE C . 25763 1 234 . 1 1 33 33 PHE CA C 13 56.4 0.2 . 1 . . . A 33 PHE CA . 25763 1 235 . 1 1 33 33 PHE CB C 13 37.5 0.2 . 1 . . . A 33 PHE CB . 25763 1 236 . 1 1 33 33 PHE N N 15 111.8 0.2 . 1 . . . A 33 PHE N . 25763 1 237 . 1 1 34 34 ALA H H 1 7.08 0.02 . 1 . . . A 34 ALA H . 25763 1 238 . 1 1 34 34 ALA HA H 1 4.63 0.02 . 1 . . . A 34 ALA HA . 25763 1 239 . 1 1 34 34 ALA HB1 H 1 1.03 0.02 . 1 . . . A 34 ALA HB1 . 25763 1 240 . 1 1 34 34 ALA HB2 H 1 1.03 0.02 . 1 . . . A 34 ALA HB2 . 25763 1 241 . 1 1 34 34 ALA HB3 H 1 1.03 0.02 . 1 . . . A 34 ALA HB3 . 25763 1 242 . 1 1 34 34 ALA C C 13 177.7 0.2 . 1 . . . A 34 ALA C . 25763 1 243 . 1 1 34 34 ALA CA C 13 50.3 0.2 . 1 . . . A 34 ALA CA . 25763 1 244 . 1 1 34 34 ALA CB C 13 20.2 0.2 . 1 . . . A 34 ALA CB . 25763 1 245 . 1 1 34 34 ALA N N 15 125.7 0.2 . 1 . . . A 34 ALA N . 25763 1 246 . 1 1 35 35 ASP H H 1 8.96 0.02 . 1 . . . A 35 ASP H . 25763 1 247 . 1 1 35 35 ASP HA H 1 4.50 0.02 . 1 . . . A 35 ASP HA . 25763 1 248 . 1 1 35 35 ASP HB2 H 1 2.68 0.02 . 2 . . . A 35 ASP HB2 . 25763 1 249 . 1 1 35 35 ASP HB3 H 1 2.62 0.02 . 2 . . . A 35 ASP HB3 . 25763 1 250 . 1 1 35 35 ASP C C 13 176.4 0.2 . 1 . . . A 35 ASP C . 25763 1 251 . 1 1 35 35 ASP CA C 13 55.0 0.2 . 1 . . . A 35 ASP CA . 25763 1 252 . 1 1 35 35 ASP CB C 13 40.1 0.2 . 1 . . . A 35 ASP CB . 25763 1 253 . 1 1 35 35 ASP N N 15 124.7 0.2 . 1 . . . A 35 ASP N . 25763 1 254 . 1 1 36 36 VAL H H 1 8.70 0.02 . 1 . . . A 36 VAL H . 25763 1 255 . 1 1 36 36 VAL HB H 1 1.82 0.02 . 1 . . . A 36 VAL HB . 25763 1 256 . 1 1 36 36 VAL HG11 H 1 0.83 0.02 . 2 . . . A 36 VAL HG11 . 25763 1 257 . 1 1 36 36 VAL HG12 H 1 0.83 0.02 . 2 . . . A 36 VAL HG12 . 25763 1 258 . 1 1 36 36 VAL HG13 H 1 0.83 0.02 . 2 . . . A 36 VAL HG13 . 25763 1 259 . 1 1 36 36 VAL HG21 H 1 0.69 0.02 . 2 . . . A 36 VAL HG21 . 25763 1 260 . 1 1 36 36 VAL HG22 H 1 0.69 0.02 . 2 . . . A 36 VAL HG22 . 25763 1 261 . 1 1 36 36 VAL HG23 H 1 0.69 0.02 . 2 . . . A 36 VAL HG23 . 25763 1 262 . 1 1 36 36 VAL CA C 13 61.3 0.2 . 1 . . . A 36 VAL CA . 25763 1 263 . 1 1 36 36 VAL CB C 13 32.1 0.2 . 1 . . . A 36 VAL CB . 25763 1 264 . 1 1 36 36 VAL CG1 C 13 22.2 0.2 . 2 . . . A 36 VAL CG1 . 25763 1 265 . 1 1 36 36 VAL CG2 C 13 21.1 0.2 . 2 . . . A 36 VAL CG2 . 25763 1 266 . 1 1 36 36 VAL N N 15 125.8 0.2 . 1 . . . A 36 VAL N . 25763 1 267 . 1 1 37 37 PRO HA H 1 4.27 0.02 . 1 . . . A 37 PRO HA . 25763 1 268 . 1 1 37 37 PRO HB2 H 1 2.06 0.02 . 2 . . . A 37 PRO HB2 . 25763 1 269 . 1 1 37 37 PRO HB3 H 1 1.69 0.02 . 2 . . . A 37 PRO HB3 . 25763 1 270 . 1 1 37 37 PRO HG2 H 1 0.84 0.02 . 2 . . . A 37 PRO HG2 . 25763 1 271 . 1 1 37 37 PRO HG3 H 1 0.84 0.02 . 2 . . . A 37 PRO HG3 . 25763 1 272 . 1 1 37 37 PRO HD2 H 1 2.38 0.02 . 2 . . . A 37 PRO HD2 . 25763 1 273 . 1 1 37 37 PRO HD3 H 1 2.04 0.02 . 2 . . . A 37 PRO HD3 . 25763 1 274 . 1 1 37 37 PRO C C 13 175.6 0.2 . 1 . . . A 37 PRO C . 25763 1 275 . 1 1 37 37 PRO CA C 13 62.1 0.2 . 1 . . . A 37 PRO CA . 25763 1 276 . 1 1 37 37 PRO CB C 13 31.4 0.2 . 1 . . . A 37 PRO CB . 25763 1 277 . 1 1 37 37 PRO CG C 13 26.5 0.2 . 1 . . . A 37 PRO CG . 25763 1 278 . 1 1 37 37 PRO CD C 13 49.8 0.2 . 1 . . . A 37 PRO CD . 25763 1 279 . 1 1 38 38 ALA H H 1 8.38 0.02 . 1 . . . A 38 ALA H . 25763 1 280 . 1 1 38 38 ALA HA H 1 4.23 0.02 . 1 . . . A 38 ALA HA . 25763 1 281 . 1 1 38 38 ALA HB1 H 1 1.45 0.02 . 1 . . . A 38 ALA HB1 . 25763 1 282 . 1 1 38 38 ALA HB2 H 1 1.45 0.02 . 1 . . . A 38 ALA HB2 . 25763 1 283 . 1 1 38 38 ALA HB3 H 1 1.45 0.02 . 1 . . . A 38 ALA HB3 . 25763 1 284 . 1 1 38 38 ALA C C 13 179.1 0.2 . 1 . . . A 38 ALA C . 25763 1 285 . 1 1 38 38 ALA CA C 13 53.2 0.2 . 1 . . . A 38 ALA CA . 25763 1 286 . 1 1 38 38 ALA CB C 13 18.1 0.2 . 1 . . . A 38 ALA CB . 25763 1 287 . 1 1 38 38 ALA N N 15 122.8 0.2 . 1 . . . A 38 ALA N . 25763 1 288 . 1 1 39 39 GLY H H 1 8.88 0.02 . 1 . . . A 39 GLY H . 25763 1 289 . 1 1 39 39 GLY HA2 H 1 4.24 0.02 . 2 . . . A 39 GLY HA2 . 25763 1 290 . 1 1 39 39 GLY HA3 H 1 3.63 0.02 . 2 . . . A 39 GLY HA3 . 25763 1 291 . 1 1 39 39 GLY C C 13 173.8 0.2 . 1 . . . A 39 GLY C . 25763 1 292 . 1 1 39 39 GLY CA C 13 44.6 0.2 . 1 . . . A 39 GLY CA . 25763 1 293 . 1 1 39 39 GLY N N 15 110.0 0.2 . 1 . . . A 39 GLY N . 25763 1 294 . 1 1 40 40 TRP H H 1 7.81 0.02 . 1 . . . A 40 TRP H . 25763 1 295 . 1 1 40 40 TRP HB2 H 1 2.87 0.02 . 2 . . . A 40 TRP HB2 . 25763 1 296 . 1 1 40 40 TRP HB3 H 1 2.87 0.02 . 2 . . . A 40 TRP HB3 . 25763 1 297 . 1 1 40 40 TRP HD1 H 1 6.93 0.02 . 1 . . . A 40 TRP HD1 . 25763 1 298 . 1 1 40 40 TRP HE1 H 1 10.26 0.02 . 1 . . . A 40 TRP HE1 . 25763 1 299 . 1 1 40 40 TRP HZ2 H 1 7.54 0.02 . 1 . . . A 40 TRP HZ2 . 25763 1 300 . 1 1 40 40 TRP HH2 H 1 7.00 0.02 . 1 . . . A 40 TRP HH2 . 25763 1 301 . 1 1 40 40 TRP C C 13 174.8 0.2 . 1 . . . A 40 TRP C . 25763 1 302 . 1 1 40 40 TRP CA C 13 56.1 0.2 . 1 . . . A 40 TRP CA . 25763 1 303 . 1 1 40 40 TRP CB C 13 31.6 0.2 . 1 . . . A 40 TRP CB . 25763 1 304 . 1 1 40 40 TRP CD1 C 13 127.6 0.2 . 1 . . . A 40 TRP CD1 . 25763 1 305 . 1 1 40 40 TRP CZ2 C 13 114.5 0.2 . 1 . . . A 40 TRP CZ2 . 25763 1 306 . 1 1 40 40 TRP CH2 C 13 124.0 0.2 . 1 . . . A 40 TRP CH2 . 25763 1 307 . 1 1 40 40 TRP N N 15 120.3 0.2 . 1 . . . A 40 TRP N . 25763 1 308 . 1 1 40 40 TRP NE1 N 15 129.5 0.2 . 1 . . . A 40 TRP NE1 . 25763 1 309 . 1 1 41 41 ARG H H 1 9.26 0.02 . 1 . . . A 41 ARG H . 25763 1 310 . 1 1 41 41 ARG HB2 H 1 1.71 0.02 . 2 . . . A 41 ARG HB2 . 25763 1 311 . 1 1 41 41 ARG HB3 H 1 1.71 0.02 . 2 . . . A 41 ARG HB3 . 25763 1 312 . 1 1 41 41 ARG HG2 H 1 1.62 0.02 . 2 . . . A 41 ARG HG2 . 25763 1 313 . 1 1 41 41 ARG HG3 H 1 1.38 0.02 . 2 . . . A 41 ARG HG3 . 25763 1 314 . 1 1 41 41 ARG HD2 H 1 3.13 0.02 . 2 . . . A 41 ARG HD2 . 25763 1 315 . 1 1 41 41 ARG HD3 H 1 3.13 0.02 . 2 . . . A 41 ARG HD3 . 25763 1 316 . 1 1 41 41 ARG C C 13 174.7 0.2 . 1 . . . A 41 ARG C . 25763 1 317 . 1 1 41 41 ARG CA C 13 54.0 0.2 . 1 . . . A 41 ARG CA . 25763 1 318 . 1 1 41 41 ARG CB C 13 32.9 0.2 . 1 . . . A 41 ARG CB . 25763 1 319 . 1 1 41 41 ARG CG C 13 26.8 0.2 . 1 . . . A 41 ARG CG . 25763 1 320 . 1 1 41 41 ARG CD C 13 43.0 0.2 . 1 . . . A 41 ARG CD . 25763 1 321 . 1 1 41 41 ARG N N 15 117.8 0.2 . 1 . . . A 41 ARG N . 25763 1 322 . 1 1 42 42 VAL H H 1 8.79 0.02 . 1 . . . A 42 VAL H . 25763 1 323 . 1 1 42 42 VAL HA H 1 4.09 0.02 . 1 . . . A 42 VAL HA . 25763 1 324 . 1 1 42 42 VAL HB H 1 1.76 0.02 . 1 . . . A 42 VAL HB . 25763 1 325 . 1 1 42 42 VAL HG11 H 1 0.68 0.02 . 2 . . . A 42 VAL HG11 . 25763 1 326 . 1 1 42 42 VAL HG12 H 1 0.68 0.02 . 2 . . . A 42 VAL HG12 . 25763 1 327 . 1 1 42 42 VAL HG13 H 1 0.68 0.02 . 2 . . . A 42 VAL HG13 . 25763 1 328 . 1 1 42 42 VAL HG21 H 1 0.24 0.02 . 2 . . . A 42 VAL HG21 . 25763 1 329 . 1 1 42 42 VAL HG22 H 1 0.24 0.02 . 2 . . . A 42 VAL HG22 . 25763 1 330 . 1 1 42 42 VAL HG23 H 1 0.24 0.02 . 2 . . . A 42 VAL HG23 . 25763 1 331 . 1 1 42 42 VAL C C 13 177.9 0.2 . 1 . . . A 42 VAL C . 25763 1 332 . 1 1 42 42 VAL CA C 13 63.3 0.2 . 1 . . . A 42 VAL CA . 25763 1 333 . 1 1 42 42 VAL CB C 13 32.2 0.2 . 1 . . . A 42 VAL CB . 25763 1 334 . 1 1 42 42 VAL CG1 C 13 21.9 0.2 . 2 . . . A 42 VAL CG1 . 25763 1 335 . 1 1 42 42 VAL CG2 C 13 20.7 0.2 . 2 . . . A 42 VAL CG2 . 25763 1 336 . 1 1 42 42 VAL N N 15 122.4 0.2 . 1 . . . A 42 VAL N . 25763 1 337 . 1 1 43 43 VAL H H 1 9.14 0.02 . 1 . . . A 43 VAL H . 25763 1 338 . 1 1 43 43 VAL HA H 1 4.79 0.02 . 1 . . . A 43 VAL HA . 25763 1 339 . 1 1 43 43 VAL HB H 1 2.53 0.02 . 1 . . . A 43 VAL HB . 25763 1 340 . 1 1 43 43 VAL HG11 H 1 1.10 0.02 . 2 . . . A 43 VAL HG11 . 25763 1 341 . 1 1 43 43 VAL HG12 H 1 1.10 0.02 . 2 . . . A 43 VAL HG12 . 25763 1 342 . 1 1 43 43 VAL HG13 H 1 1.10 0.02 . 2 . . . A 43 VAL HG13 . 25763 1 343 . 1 1 43 43 VAL HG21 H 1 1.03 0.02 . 2 . . . A 43 VAL HG21 . 25763 1 344 . 1 1 43 43 VAL HG22 H 1 1.03 0.02 . 2 . . . A 43 VAL HG22 . 25763 1 345 . 1 1 43 43 VAL HG23 H 1 1.03 0.02 . 2 . . . A 43 VAL HG23 . 25763 1 346 . 1 1 43 43 VAL C C 13 174.7 0.2 . 1 . . . A 43 VAL C . 25763 1 347 . 1 1 43 43 VAL CA C 13 60.6 0.2 . 1 . . . A 43 VAL CA . 25763 1 348 . 1 1 43 43 VAL CB C 13 33.7 0.2 . 1 . . . A 43 VAL CB . 25763 1 349 . 1 1 43 43 VAL CG1 C 13 22.5 0.2 . 2 . . . A 43 VAL CG1 . 25763 1 350 . 1 1 43 43 VAL CG2 C 13 20.0 0.2 . 2 . . . A 43 VAL CG2 . 25763 1 351 . 1 1 43 43 VAL N N 15 119.1 0.2 . 1 . . . A 43 VAL N . 25763 1 352 . 1 1 44 44 HIS H H 1 7.72 0.02 . 1 . . . A 44 HIS H . 25763 1 353 . 1 1 44 44 HIS HA H 1 4.55 0.02 . 1 . . . A 44 HIS HA . 25763 1 354 . 1 1 44 44 HIS HB2 H 1 1.97 0.02 . 2 . . . A 44 HIS HB2 . 25763 1 355 . 1 1 44 44 HIS HB3 H 1 1.97 0.02 . 2 . . . A 44 HIS HB3 . 25763 1 356 . 1 1 44 44 HIS C C 13 173.4 0.2 . 1 . . . A 44 HIS C . 25763 1 357 . 1 1 44 44 HIS CA C 13 57.4 0.2 . 1 . . . A 44 HIS CA . 25763 1 358 . 1 1 44 44 HIS CB C 13 32.7 0.2 . 1 . . . A 44 HIS CB . 25763 1 359 . 1 1 44 44 HIS N N 15 119.2 0.2 . 1 . . . A 44 HIS N . 25763 1 360 . 1 1 45 45 GLY H H 1 7.68 0.02 . 1 . . . A 45 GLY H . 25763 1 361 . 1 1 45 45 GLY HA2 H 1 3.07 0.02 . 2 . . . A 45 GLY HA2 . 25763 1 362 . 1 1 45 45 GLY HA3 H 1 3.07 0.02 . 2 . . . A 45 GLY HA3 . 25763 1 363 . 1 1 45 45 GLY C C 13 174.6 0.2 . 1 . . . A 45 GLY C . 25763 1 364 . 1 1 45 45 GLY CA C 13 42.1 0.2 . 1 . . . A 45 GLY CA . 25763 1 365 . 1 1 45 45 GLY N N 15 111.8 0.2 . 1 . . . A 45 GLY N . 25763 1 366 . 1 1 46 46 GLU H H 1 8.68 0.02 . 1 . . . A 46 GLU H . 25763 1 367 . 1 1 46 46 GLU HA H 1 4.19 0.02 . 1 . . . A 46 GLU HA . 25763 1 368 . 1 1 46 46 GLU HB2 H 1 1.68 0.02 . 2 . . . A 46 GLU HB2 . 25763 1 369 . 1 1 46 46 GLU HB3 H 1 1.63 0.02 . 2 . . . A 46 GLU HB3 . 25763 1 370 . 1 1 46 46 GLU HG2 H 1 1.92 0.02 . 2 . . . A 46 GLU HG2 . 25763 1 371 . 1 1 46 46 GLU HG3 H 1 1.92 0.02 . 2 . . . A 46 GLU HG3 . 25763 1 372 . 1 1 46 46 GLU C C 13 175.2 0.2 . 1 . . . A 46 GLU C . 25763 1 373 . 1 1 46 46 GLU CA C 13 57.0 0.2 . 1 . . . A 46 GLU CA . 25763 1 374 . 1 1 46 46 GLU CB C 13 30.4 0.2 . 1 . . . A 46 GLU CB . 25763 1 375 . 1 1 46 46 GLU CG C 13 35.7 0.2 . 1 . . . A 46 GLU CG . 25763 1 376 . 1 1 46 46 GLU N N 15 121.4 0.2 . 1 . . . A 46 GLU N . 25763 1 377 . 1 1 47 47 ALA H H 1 9.43 0.02 . 1 . . . A 47 ALA H . 25763 1 378 . 1 1 47 47 ALA HA H 1 4.80 0.02 . 1 . . . A 47 ALA HA . 25763 1 379 . 1 1 47 47 ALA HB1 H 1 1.57 0.02 . 1 . . . A 47 ALA HB1 . 25763 1 380 . 1 1 47 47 ALA HB2 H 1 1.57 0.02 . 1 . . . A 47 ALA HB2 . 25763 1 381 . 1 1 47 47 ALA HB3 H 1 1.57 0.02 . 1 . . . A 47 ALA HB3 . 25763 1 382 . 1 1 47 47 ALA C C 13 174.9 0.2 . 1 . . . A 47 ALA C . 25763 1 383 . 1 1 47 47 ALA CA C 13 51.0 0.2 . 1 . . . A 47 ALA CA . 25763 1 384 . 1 1 47 47 ALA CB C 13 22.0 0.2 . 1 . . . A 47 ALA CB . 25763 1 385 . 1 1 47 47 ALA N N 15 126.7 0.2 . 1 . . . A 47 ALA N . 25763 1 386 . 1 1 48 48 ASP H H 1 8.56 0.02 . 1 . . . A 48 ASP H . 25763 1 387 . 1 1 48 48 ASP HB2 H 1 3.32 0.02 . 2 . . . A 48 ASP HB2 . 25763 1 388 . 1 1 48 48 ASP HB3 H 1 2.92 0.02 . 2 . . . A 48 ASP HB3 . 25763 1 389 . 1 1 48 48 ASP C C 13 175.8 0.2 . 1 . . . A 48 ASP C . 25763 1 390 . 1 1 48 48 ASP CA C 13 53.8 0.2 . 1 . . . A 48 ASP CA . 25763 1 391 . 1 1 48 48 ASP CB C 13 40.9 0.2 . 1 . . . A 48 ASP CB . 25763 1 392 . 1 1 48 48 ASP N N 15 117.4 0.2 . 1 . . . A 48 ASP N . 25763 1 393 . 1 1 49 49 ARG H H 1 9.31 0.02 . 1 . . . A 49 ARG H . 25763 1 394 . 1 1 49 49 ARG HA H 1 3.36 0.02 . 1 . . . A 49 ARG HA . 25763 1 395 . 1 1 49 49 ARG HG2 H 1 1.34 0.02 . 2 . . . A 49 ARG HG2 . 25763 1 396 . 1 1 49 49 ARG HG3 H 1 0.53 0.02 . 2 . . . A 49 ARG HG3 . 25763 1 397 . 1 1 49 49 ARG HD2 H 1 3.00 0.02 . 2 . . . A 49 ARG HD2 . 25763 1 398 . 1 1 49 49 ARG HD3 H 1 2.94 0.02 . 2 . . . A 49 ARG HD3 . 25763 1 399 . 1 1 49 49 ARG C C 13 179.0 0.2 . 1 . . . A 49 ARG C . 25763 1 400 . 1 1 49 49 ARG CA C 13 60.9 0.2 . 1 . . . A 49 ARG CA . 25763 1 401 . 1 1 49 49 ARG CG C 13 27.7 0.2 . 1 . . . A 49 ARG CG . 25763 1 402 . 1 1 49 49 ARG CD C 13 42.7 0.2 . 1 . . . A 49 ARG CD . 25763 1 403 . 1 1 49 49 ARG N N 15 121.5 0.2 . 1 . . . A 49 ARG N . 25763 1 404 . 1 1 50 50 ALA H H 1 8.62 0.02 . 1 . . . A 50 ALA H . 25763 1 405 . 1 1 50 50 ALA HA H 1 4.07 0.02 . 1 . . . A 50 ALA HA . 25763 1 406 . 1 1 50 50 ALA HB1 H 1 1.55 0.02 . 1 . . . A 50 ALA HB1 . 25763 1 407 . 1 1 50 50 ALA HB2 H 1 1.55 0.02 . 1 . . . A 50 ALA HB2 . 25763 1 408 . 1 1 50 50 ALA HB3 H 1 1.55 0.02 . 1 . . . A 50 ALA HB3 . 25763 1 409 . 1 1 50 50 ALA C C 13 180.5 0.2 . 1 . . . A 50 ALA C . 25763 1 410 . 1 1 50 50 ALA CA C 13 55.2 0.2 . 1 . . . A 50 ALA CA . 25763 1 411 . 1 1 50 50 ALA CB C 13 17.7 0.2 . 1 . . . A 50 ALA CB . 25763 1 412 . 1 1 50 50 ALA N N 15 119.0 0.2 . 1 . . . A 50 ALA N . 25763 1 413 . 1 1 51 51 ALA H H 1 8.34 0.02 . 1 . . . A 51 ALA H . 25763 1 414 . 1 1 51 51 ALA HA H 1 4.33 0.02 . 1 . . . A 51 ALA HA . 25763 1 415 . 1 1 51 51 ALA HB1 H 1 1.80 0.02 . 1 . . . A 51 ALA HB1 . 25763 1 416 . 1 1 51 51 ALA HB2 H 1 1.80 0.02 . 1 . . . A 51 ALA HB2 . 25763 1 417 . 1 1 51 51 ALA HB3 H 1 1.80 0.02 . 1 . . . A 51 ALA HB3 . 25763 1 418 . 1 1 51 51 ALA C C 13 182.3 0.2 . 1 . . . A 51 ALA C . 25763 1 419 . 1 1 51 51 ALA CA C 13 54.6 0.2 . 1 . . . A 51 ALA CA . 25763 1 420 . 1 1 51 51 ALA CB C 13 18.8 0.2 . 1 . . . A 51 ALA CB . 25763 1 421 . 1 1 51 51 ALA N N 15 121.7 0.2 . 1 . . . A 51 ALA N . 25763 1 422 . 1 1 52 52 CYS H H 1 8.30 0.02 . 1 . . . A 52 CYS H . 25763 1 423 . 1 1 52 52 CYS HA H 1 4.14 0.02 . 1 . . . A 52 CYS HA . 25763 1 424 . 1 1 52 52 CYS HB2 H 1 3.16 0.02 . 2 . . . A 52 CYS HB2 . 25763 1 425 . 1 1 52 52 CYS HB3 H 1 2.48 0.02 . 2 . . . A 52 CYS HB3 . 25763 1 426 . 1 1 52 52 CYS C C 13 176.8 0.2 . 1 . . . A 52 CYS C . 25763 1 427 . 1 1 52 52 CYS CA C 13 64.5 0.2 . 1 . . . A 52 CYS CA . 25763 1 428 . 1 1 52 52 CYS CB C 13 27.1 0.2 . 1 . . . A 52 CYS CB . 25763 1 429 . 1 1 52 52 CYS N N 15 117.9 0.2 . 1 . . . A 52 CYS N . 25763 1 430 . 1 1 53 53 LEU H H 1 8.78 0.02 . 1 . . . A 53 LEU H . 25763 1 431 . 1 1 53 53 LEU HA H 1 4.17 0.02 . 1 . . . A 53 LEU HA . 25763 1 432 . 1 1 53 53 LEU HB2 H 1 1.99 0.02 . 2 . . . A 53 LEU HB2 . 25763 1 433 . 1 1 53 53 LEU HB3 H 1 1.59 0.02 . 2 . . . A 53 LEU HB3 . 25763 1 434 . 1 1 53 53 LEU HG H 1 0.94 0.02 . 1 . . . A 53 LEU HG . 25763 1 435 . 1 1 53 53 LEU C C 13 179.9 0.2 . 1 . . . A 53 LEU C . 25763 1 436 . 1 1 53 53 LEU CA C 13 58.1 0.2 . 1 . . . A 53 LEU CA . 25763 1 437 . 1 1 53 53 LEU CB C 13 40.5 0.2 . 1 . . . A 53 LEU CB . 25763 1 438 . 1 1 53 53 LEU CG C 13 22.6 0.2 . 1 . . . A 53 LEU CG . 25763 1 439 . 1 1 53 53 LEU N N 15 120.6 0.2 . 1 . . . A 53 LEU N . 25763 1 440 . 1 1 54 54 GLU H H 1 8.35 0.02 . 1 . . . A 54 GLU H . 25763 1 441 . 1 1 54 54 GLU HA H 1 4.12 0.02 . 1 . . . A 54 GLU HA . 25763 1 442 . 1 1 54 54 GLU HB2 H 1 2.21 0.02 . 2 . . . A 54 GLU HB2 . 25763 1 443 . 1 1 54 54 GLU HB3 H 1 2.17 0.02 . 2 . . . A 54 GLU HB3 . 25763 1 444 . 1 1 54 54 GLU HG2 H 1 2.49 0.02 . 2 . . . A 54 GLU HG2 . 25763 1 445 . 1 1 54 54 GLU HG3 H 1 2.26 0.02 . 2 . . . A 54 GLU HG3 . 25763 1 446 . 1 1 54 54 GLU C C 13 178.3 0.2 . 1 . . . A 54 GLU C . 25763 1 447 . 1 1 54 54 GLU CA C 13 59.3 0.2 . 1 . . . A 54 GLU CA . 25763 1 448 . 1 1 54 54 GLU CB C 13 29.4 0.2 . 1 . . . A 54 GLU CB . 25763 1 449 . 1 1 54 54 GLU CG C 13 36.3 0.2 . 1 . . . A 54 GLU CG . 25763 1 450 . 1 1 54 54 GLU N N 15 120.6 0.2 . 1 . . . A 54 GLU N . 25763 1 451 . 1 1 55 55 TYR H H 1 7.89 0.02 . 1 . . . A 55 TYR H . 25763 1 452 . 1 1 55 55 TYR HA H 1 4.15 0.02 . 1 . . . A 55 TYR HA . 25763 1 453 . 1 1 55 55 TYR HB2 H 1 3.31 0.02 . 2 . . . A 55 TYR HB2 . 25763 1 454 . 1 1 55 55 TYR HB3 H 1 2.51 0.02 . 2 . . . A 55 TYR HB3 . 25763 1 455 . 1 1 55 55 TYR HD1 H 1 6.68 0.02 . 3 . . . A 55 TYR HD1 . 25763 1 456 . 1 1 55 55 TYR HD2 H 1 6.68 0.02 . 3 . . . A 55 TYR HD2 . 25763 1 457 . 1 1 55 55 TYR HE1 H 1 6.56 0.02 . 3 . . . A 55 TYR HE1 . 25763 1 458 . 1 1 55 55 TYR HE2 H 1 6.56 0.02 . 3 . . . A 55 TYR HE2 . 25763 1 459 . 1 1 55 55 TYR CA C 13 61.7 0.2 . 1 . . . A 55 TYR CA . 25763 1 460 . 1 1 55 55 TYR CB C 13 37.6 0.2 . 1 . . . A 55 TYR CB . 25763 1 461 . 1 1 55 55 TYR CD1 C 13 132.7 0.2 . 3 . . . A 55 TYR CD1 . 25763 1 462 . 1 1 55 55 TYR CD2 C 13 132.7 0.2 . 3 . . . A 55 TYR CD2 . 25763 1 463 . 1 1 55 55 TYR CE1 C 13 117.6 0.2 . 3 . . . A 55 TYR CE1 . 25763 1 464 . 1 1 55 55 TYR CE2 C 13 117.6 0.2 . 3 . . . A 55 TYR CE2 . 25763 1 465 . 1 1 55 55 TYR N N 15 120.8 0.2 . 1 . . . A 55 TYR N . 25763 1 466 . 1 1 56 56 ILE HB H 1 2.18 0.02 . 1 . . . A 56 ILE HB . 25763 1 467 . 1 1 56 56 ILE HG21 H 1 1.11 0.02 . 1 . . . A 56 ILE HG21 . 25763 1 468 . 1 1 56 56 ILE HG22 H 1 1.11 0.02 . 1 . . . A 56 ILE HG22 . 25763 1 469 . 1 1 56 56 ILE HG23 H 1 1.11 0.02 . 1 . . . A 56 ILE HG23 . 25763 1 470 . 1 1 56 56 ILE HD11 H 1 1.11 0.02 . 1 . . . A 56 ILE HD11 . 25763 1 471 . 1 1 56 56 ILE HD12 H 1 1.11 0.02 . 1 . . . A 56 ILE HD12 . 25763 1 472 . 1 1 56 56 ILE HD13 H 1 1.11 0.02 . 1 . . . A 56 ILE HD13 . 25763 1 473 . 1 1 56 56 ILE C C 13 176.7 0.2 . 1 . . . A 56 ILE C . 25763 1 474 . 1 1 56 56 ILE CB C 13 38.2 0.2 . 1 . . . A 56 ILE CB . 25763 1 475 . 1 1 56 56 ILE CG2 C 13 17.5 0.2 . 1 . . . A 56 ILE CG2 . 25763 1 476 . 1 1 56 56 ILE CD1 C 13 13.8 0.2 . 1 . . . A 56 ILE CD1 . 25763 1 477 . 1 1 57 57 GLU H H 1 8.29 0.02 . 1 . . . A 57 GLU H . 25763 1 478 . 1 1 57 57 GLU HA H 1 4.03 0.02 . 1 . . . A 57 GLU HA . 25763 1 479 . 1 1 57 57 GLU HB2 H 1 2.15 0.02 . 2 . . . A 57 GLU HB2 . 25763 1 480 . 1 1 57 57 GLU HB3 H 1 2.05 0.02 . 2 . . . A 57 GLU HB3 . 25763 1 481 . 1 1 57 57 GLU HG2 H 1 2.40 0.02 . 2 . . . A 57 GLU HG2 . 25763 1 482 . 1 1 57 57 GLU HG3 H 1 2.40 0.02 . 2 . . . A 57 GLU HG3 . 25763 1 483 . 1 1 57 57 GLU C C 13 177.7 0.2 . 1 . . . A 57 GLU C . 25763 1 484 . 1 1 57 57 GLU CA C 13 58.5 0.2 . 1 . . . A 57 GLU CA . 25763 1 485 . 1 1 57 57 GLU CB C 13 28.9 0.2 . 1 . . . A 57 GLU CB . 25763 1 486 . 1 1 57 57 GLU CG C 13 35.7 0.2 . 1 . . . A 57 GLU CG . 25763 1 487 . 1 1 57 57 GLU N N 15 119.4 0.2 . 1 . . . A 57 GLU N . 25763 1 488 . 1 1 58 58 GLU H H 1 7.78 0.02 . 1 . . . A 58 GLU H . 25763 1 489 . 1 1 58 58 GLU HA H 1 3.88 0.02 . 1 . . . A 58 GLU HA . 25763 1 490 . 1 1 58 58 GLU HB2 H 1 1.89 0.02 . 2 . . . A 58 GLU HB2 . 25763 1 491 . 1 1 58 58 GLU HB3 H 1 1.60 0.02 . 2 . . . A 58 GLU HB3 . 25763 1 492 . 1 1 58 58 GLU HG2 H 1 2.01 0.02 . 2 . . . A 58 GLU HG2 . 25763 1 493 . 1 1 58 58 GLU HG3 H 1 1.62 0.02 . 2 . . . A 58 GLU HG3 . 25763 1 494 . 1 1 58 58 GLU C C 13 177.6 0.2 . 1 . . . A 58 GLU C . 25763 1 495 . 1 1 58 58 GLU CA C 13 57.7 0.2 . 1 . . . A 58 GLU CA . 25763 1 496 . 1 1 58 58 GLU CB C 13 29.4 0.2 . 1 . . . A 58 GLU CB . 25763 1 497 . 1 1 58 58 GLU CG C 13 35.4 0.2 . 1 . . . A 58 GLU CG . 25763 1 498 . 1 1 58 58 GLU N N 15 115.0 0.2 . 1 . . . A 58 GLU N . 25763 1 499 . 1 1 59 59 HIS H H 1 7.42 0.02 . 1 . . . A 59 HIS H . 25763 1 500 . 1 1 59 59 HIS CA C 13 58.4 0.2 . 1 . . . A 59 HIS CA . 25763 1 501 . 1 1 59 59 HIS CB C 13 28.0 0.2 . 1 . . . A 59 HIS CB . 25763 1 502 . 1 1 59 59 HIS N N 15 113.7 0.2 . 1 . . . A 59 HIS N . 25763 1 503 . 1 1 60 60 TRP HD1 H 1 7.41 0.02 . 1 . . . A 60 TRP HD1 . 25763 1 504 . 1 1 60 60 TRP HE1 H 1 10.40 0.02 . 1 . . . A 60 TRP HE1 . 25763 1 505 . 1 1 60 60 TRP HZ2 H 1 7.66 0.02 . 1 . . . A 60 TRP HZ2 . 25763 1 506 . 1 1 60 60 TRP HZ3 H 1 6.86 0.02 . 1 . . . A 60 TRP HZ3 . 25763 1 507 . 1 1 60 60 TRP HH2 H 1 7.09 0.02 . 1 . . . A 60 TRP HH2 . 25763 1 508 . 1 1 60 60 TRP CD1 C 13 127.2 0.2 . 1 . . . A 60 TRP CD1 . 25763 1 509 . 1 1 60 60 TRP CZ2 C 13 114.6 0.2 . 1 . . . A 60 TRP CZ2 . 25763 1 510 . 1 1 60 60 TRP CZ3 C 13 119.9 0.2 . 1 . . . A 60 TRP CZ3 . 25763 1 511 . 1 1 60 60 TRP CH2 C 13 123.5 0.2 . 1 . . . A 60 TRP CH2 . 25763 1 512 . 1 1 60 60 TRP NE1 N 15 129.6 0.2 . 1 . . . A 60 TRP NE1 . 25763 1 513 . 1 1 63 63 ILE HB H 1 2.03 0.02 . 1 . . . A 63 ILE HB . 25763 1 514 . 1 1 63 63 ILE HG12 H 1 1.56 0.02 . 2 . . . A 63 ILE HG12 . 25763 1 515 . 1 1 63 63 ILE HG13 H 1 1.31 0.02 . 2 . . . A 63 ILE HG13 . 25763 1 516 . 1 1 63 63 ILE HG21 H 1 0.96 0.02 . 1 . . . A 63 ILE HG21 . 25763 1 517 . 1 1 63 63 ILE HG22 H 1 0.96 0.02 . 1 . . . A 63 ILE HG22 . 25763 1 518 . 1 1 63 63 ILE HG23 H 1 0.96 0.02 . 1 . . . A 63 ILE HG23 . 25763 1 519 . 1 1 63 63 ILE HD11 H 1 0.94 0.02 . 1 . . . A 63 ILE HD11 . 25763 1 520 . 1 1 63 63 ILE HD12 H 1 0.94 0.02 . 1 . . . A 63 ILE HD12 . 25763 1 521 . 1 1 63 63 ILE HD13 H 1 0.94 0.02 . 1 . . . A 63 ILE HD13 . 25763 1 522 . 1 1 63 63 ILE CB C 13 38.6 0.2 . 1 . . . A 63 ILE CB . 25763 1 523 . 1 1 63 63 ILE CG1 C 13 26.8 0.2 . 1 . . . A 63 ILE CG1 . 25763 1 524 . 1 1 63 63 ILE CG2 C 13 17.6 0.2 . 1 . . . A 63 ILE CG2 . 25763 1 525 . 1 1 63 63 ILE CD1 C 13 13.1 0.2 . 1 . . . A 63 ILE CD1 . 25763 1 526 . 1 1 68 68 LEU CA C 13 55.7 0.2 . 1 . . . A 68 LEU CA . 25763 1 527 . 1 1 68 68 LEU CB C 13 42.1 0.2 . 1 . . . A 68 LEU CB . 25763 1 528 . 1 1 68 68 LEU CG C 13 27.0 0.2 . 1 . . . A 68 LEU CG . 25763 1 529 . 1 1 68 68 LEU CD1 C 13 24.8 0.2 . . . . . A 68 LEU CD1 . 25763 1 530 . 1 1 68 68 LEU CD2 C 13 23.5 0.2 . . . . . A 68 LEU CD2 . 25763 1 531 . 1 1 69 69 ARG H H 1 8.55 0.02 . 1 . . . A 69 ARG H . 25763 1 532 . 1 1 69 69 ARG N N 15 121.1 0.2 . 1 . . . A 69 ARG N . 25763 1 533 . 1 1 70 70 ASP C C 13 176.0 0.2 . 1 . . . A 70 ASP C . 25763 1 534 . 1 1 70 70 ASP CA C 13 55.6 0.2 . 1 . . . A 70 ASP CA . 25763 1 535 . 1 1 70 70 ASP CB C 13 41.0 0.2 . 1 . . . A 70 ASP CB . 25763 1 536 . 1 1 71 71 LYS H H 1 8.26 0.02 . 1 . . . A 71 LYS H . 25763 1 537 . 1 1 71 71 LYS HA H 1 4.22 0.02 . 1 . . . A 71 LYS HA . 25763 1 538 . 1 1 71 71 LYS HB2 H 1 2.11 0.02 . 2 . . . A 71 LYS HB2 . 25763 1 539 . 1 1 71 71 LYS HB3 H 1 2.11 0.02 . 2 . . . A 71 LYS HB3 . 25763 1 540 . 1 1 71 71 LYS C C 13 177.5 0.2 . 1 . . . A 71 LYS C . 25763 1 541 . 1 1 71 71 LYS CA C 13 57.1 0.2 . 1 . . . A 71 LYS CA . 25763 1 542 . 1 1 71 71 LYS CB C 13 32.6 0.2 . 1 . . . A 71 LYS CB . 25763 1 543 . 1 1 71 71 LYS CG C 13 24.8 0.2 . 1 . . . A 71 LYS CG . 25763 1 544 . 1 1 71 71 LYS CD C 13 29.2 0.2 . 1 . . . A 71 LYS CD . 25763 1 545 . 1 1 71 71 LYS N N 15 121.2 0.2 . 1 . . . A 71 LYS N . 25763 1 546 . 1 1 72 72 LEU H H 1 8.33 0.02 . 1 . . . A 72 LEU H . 25763 1 547 . 1 1 72 72 LEU HB2 H 1 1.78 0.02 . 2 . . . A 72 LEU HB2 . 25763 1 548 . 1 1 72 72 LEU HB3 H 1 1.71 0.02 . 2 . . . A 72 LEU HB3 . 25763 1 549 . 1 1 72 72 LEU CA C 13 55.3 0.2 . 1 . . . A 72 LEU CA . 25763 1 550 . 1 1 72 72 LEU CB C 13 42.1 0.2 . 1 . . . A 72 LEU CB . 25763 1 551 . 1 1 72 72 LEU CG C 13 27.0 0.2 . 1 . . . A 72 LEU CG . 25763 1 552 . 1 1 72 72 LEU CD1 C 13 24.9 0.2 . 2 . . . A 72 LEU CD1 . 25763 1 553 . 1 1 72 72 LEU CD2 C 13 23.1 0.2 . 2 . . . A 72 LEU CD2 . 25763 1 554 . 1 1 72 72 LEU N N 15 121.6 0.2 . 1 . . . A 72 LEU N . 25763 1 555 . 1 1 73 73 ALA H H 1 8.25 0.02 . 1 . . . A 73 ALA H . 25763 1 556 . 1 1 73 73 ALA HA H 1 4.41 0.02 . 1 . . . A 73 ALA HA . 25763 1 557 . 1 1 73 73 ALA HB1 H 1 1.47 0.02 . 1 . . . A 73 ALA HB1 . 25763 1 558 . 1 1 73 73 ALA HB2 H 1 1.47 0.02 . 1 . . . A 73 ALA HB2 . 25763 1 559 . 1 1 73 73 ALA HB3 H 1 1.47 0.02 . 1 . . . A 73 ALA HB3 . 25763 1 560 . 1 1 73 73 ALA C C 13 177.9 0.2 . 1 . . . A 73 ALA C . 25763 1 561 . 1 1 73 73 ALA CA C 13 52.5 0.2 . 1 . . . A 73 ALA CA . 25763 1 562 . 1 1 73 73 ALA CB C 13 18.8 0.2 . 1 . . . A 73 ALA CB . 25763 1 563 . 1 1 73 73 ALA N N 15 123.9 0.2 . 1 . . . A 73 ALA N . 25763 1 564 . 1 1 74 74 THR H H 1 8.16 0.02 . 1 . . . A 74 THR H . 25763 1 565 . 1 1 74 74 THR HA H 1 4.40 0.02 . 1 . . . A 74 THR HA . 25763 1 566 . 1 1 74 74 THR HB H 1 4.33 0.02 . 1 . . . A 74 THR HB . 25763 1 567 . 1 1 74 74 THR HG21 H 1 1.29 0.02 . 1 . . . A 74 THR HG21 . 25763 1 568 . 1 1 74 74 THR HG22 H 1 1.29 0.02 . 1 . . . A 74 THR HG22 . 25763 1 569 . 1 1 74 74 THR HG23 H 1 1.29 0.02 . 1 . . . A 74 THR HG23 . 25763 1 570 . 1 1 74 74 THR C C 13 175.2 0.2 . 1 . . . A 74 THR C . 25763 1 571 . 1 1 74 74 THR CA C 13 61.7 0.2 . 1 . . . A 74 THR CA . 25763 1 572 . 1 1 74 74 THR CB C 13 69.7 0.2 . 1 . . . A 74 THR CB . 25763 1 573 . 1 1 74 74 THR CG2 C 13 21.3 0.2 . 1 . . . A 74 THR CG2 . 25763 1 574 . 1 1 74 74 THR N N 15 112.0 0.2 . 1 . . . A 74 THR N . 25763 1 575 . 1 1 75 75 GLY H H 1 8.54 0.02 . 1 . . . A 75 GLY H . 25763 1 576 . 1 1 75 75 GLY C C 13 174.1 0.2 . 1 . . . A 75 GLY C . 25763 1 577 . 1 1 75 75 GLY CA C 13 45.4 0.2 . 1 . . . A 75 GLY CA . 25763 1 578 . 1 1 75 75 GLY N N 15 110.6 0.2 . 1 . . . A 75 GLY N . 25763 1 579 . 1 1 76 76 ARG H H 1 8.34 0.02 . 1 . . . A 76 ARG H . 25763 1 580 . 1 1 76 76 ARG HA H 1 4.37 0.02 . 1 . . . A 76 ARG HA . 25763 1 581 . 1 1 76 76 ARG HB2 H 1 1.89 0.02 . 2 . . . A 76 ARG HB2 . 25763 1 582 . 1 1 76 76 ARG HB3 H 1 1.77 0.02 . 2 . . . A 76 ARG HB3 . 25763 1 583 . 1 1 76 76 ARG HG2 H 1 1.68 0.02 . 2 . . . A 76 ARG HG2 . 25763 1 584 . 1 1 76 76 ARG HG3 H 1 1.65 0.02 . 2 . . . A 76 ARG HG3 . 25763 1 585 . 1 1 76 76 ARG HD2 H 1 3.23 0.02 . 2 . . . A 76 ARG HD2 . 25763 1 586 . 1 1 76 76 ARG HD3 H 1 3.23 0.02 . 2 . . . A 76 ARG HD3 . 25763 1 587 . 1 1 76 76 ARG C C 13 176.6 0.2 . 1 . . . A 76 ARG C . 25763 1 588 . 1 1 76 76 ARG CA C 13 56.0 0.2 . 1 . . . A 76 ARG CA . 25763 1 589 . 1 1 76 76 ARG CB C 13 30.4 0.2 . 1 . . . A 76 ARG CB . 25763 1 590 . 1 1 76 76 ARG CG C 13 26.8 0.2 . 1 . . . A 76 ARG CG . 25763 1 591 . 1 1 76 76 ARG CD C 13 43.0 0.2 . 1 . . . A 76 ARG CD . 25763 1 592 . 1 1 76 76 ARG N N 15 120.1 0.2 . 1 . . . A 76 ARG N . 25763 1 593 . 1 1 77 77 GLY H H 1 8.56 0.02 . 1 . . . A 77 GLY H . 25763 1 594 . 1 1 77 77 GLY HA2 H 1 3.93 0.02 . 2 . . . A 77 GLY HA2 . 25763 1 595 . 1 1 77 77 GLY HA3 H 1 3.89 0.02 . 2 . . . A 77 GLY HA3 . 25763 1 596 . 1 1 77 77 GLY C C 13 173.8 0.2 . 1 . . . A 77 GLY C . 25763 1 597 . 1 1 77 77 GLY CA C 13 44.9 0.2 . 1 . . . A 77 GLY CA . 25763 1 598 . 1 1 77 77 GLY N N 15 109.4 0.2 . 1 . . . A 77 GLY N . 25763 1 599 . 1 1 78 78 PHE H H 1 8.27 0.02 . 1 . . . A 78 PHE H . 25763 1 600 . 1 1 78 78 PHE HB2 H 1 3.26 0.02 . 2 . . . A 78 PHE HB2 . 25763 1 601 . 1 1 78 78 PHE HB3 H 1 3.03 0.02 . 2 . . . A 78 PHE HB3 . 25763 1 602 . 1 1 78 78 PHE C C 13 175.5 0.2 . 1 . . . A 78 PHE C . 25763 1 603 . 1 1 78 78 PHE CA C 13 57.8 0.2 . 1 . . . A 78 PHE CA . 25763 1 604 . 1 1 78 78 PHE CB C 13 39.3 0.2 . 1 . . . A 78 PHE CB . 25763 1 605 . 1 1 78 78 PHE N N 15 119.2 0.2 . 1 . . . A 78 PHE N . 25763 1 606 . 1 1 79 79 ASP H H 1 8.54 0.02 . 1 . . . A 79 ASP H . 25763 1 607 . 1 1 79 79 ASP HA H 1 4.63 0.02 . 1 . . . A 79 ASP HA . 25763 1 608 . 1 1 79 79 ASP HB2 H 1 2.74 0.02 . 2 . . . A 79 ASP HB2 . 25763 1 609 . 1 1 79 79 ASP HB3 H 1 2.65 0.02 . 2 . . . A 79 ASP HB3 . 25763 1 610 . 1 1 79 79 ASP C C 13 175.0 0.2 . 1 . . . A 79 ASP C . 25763 1 611 . 1 1 79 79 ASP CA C 13 54.3 0.2 . 1 . . . A 79 ASP CA . 25763 1 612 . 1 1 79 79 ASP CB C 13 40.7 0.2 . 1 . . . A 79 ASP CB . 25763 1 613 . 1 1 79 79 ASP N N 15 121.4 0.2 . 1 . . . A 79 ASP N . 25763 1 614 . 1 1 80 80 GLN H H 1 7.90 0.02 . 1 . . . A 80 GLN H . 25763 1 615 . 1 1 80 80 GLN HB2 H 1 2.17 0.02 . 2 . . . A 80 GLN HB2 . 25763 1 616 . 1 1 80 80 GLN HB3 H 1 1.96 0.02 . 2 . . . A 80 GLN HB3 . 25763 1 617 . 1 1 80 80 GLN CA C 13 57.3 0.2 . 1 . . . A 80 GLN CA . 25763 1 618 . 1 1 80 80 GLN CB C 13 30.3 0.2 . 1 . . . A 80 GLN CB . 25763 1 619 . 1 1 80 80 GLN N N 15 124.3 0.2 . 1 . . . A 80 GLN N . 25763 1 stop_ save_