data_11154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11154 _Entry.Title ; Solution structure of the SH3 domain of Sorbin and SH3 domain-containing protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 H. Abe . . . 11154 2 K. Miyamoto . . . 11154 3 N. Tochio . . . 11154 4 K. Saito . . . 11154 5 T. Kigawa . . . 11154 6 S. Yokoyama . . . 11154 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 11154 '15N chemical shifts' 64 11154 '1H chemical shifts' 432 11154 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 . . 2011-05-05 2010-04-15 original author . 11154 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECZ 'BMRB Entry Tracking System' 11154 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11154 _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 the SH3 domain of Sorbin and SH3 domain-containing protein 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 H. Abe . . . 11154 1 2 K. Miyamoto . . . 11154 1 3 N. Tochio . . . 11154 1 4 K. Saito . . . 11154 1 5 T. Kigawa . . . 11154 1 6 S. Yokoyama . . . 11154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11154 _Assembly.ID 1 _Assembly.Name 'Sorbin and SH3 domain-containing protein 1' _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11154 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ecz . . . . . . 11154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGGEAIAKFNFNGDT QVEMSFRKGERITLLRQVDE NWYEGRIPGTSRQGIFPITY VDVISGPSSG ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2ECZ . "Solution Structure Of The Sh3 Domain Of Sorbin And Sh3 Domain-Containing Protein 1" . . . . . 100.00 70 100.00 100.00 9.32e-42 . . . . 11154 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11154 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11154 1 2 . SER . 11154 1 3 . SER . 11154 1 4 . GLY . 11154 1 5 . SER . 11154 1 6 . SER . 11154 1 7 . GLY . 11154 1 8 . GLY . 11154 1 9 . GLU . 11154 1 10 . ALA . 11154 1 11 . ILE . 11154 1 12 . ALA . 11154 1 13 . LYS . 11154 1 14 . PHE . 11154 1 15 . ASN . 11154 1 16 . PHE . 11154 1 17 . ASN . 11154 1 18 . GLY . 11154 1 19 . ASP . 11154 1 20 . THR . 11154 1 21 . GLN . 11154 1 22 . VAL . 11154 1 23 . GLU . 11154 1 24 . MET . 11154 1 25 . SER . 11154 1 26 . PHE . 11154 1 27 . ARG . 11154 1 28 . LYS . 11154 1 29 . GLY . 11154 1 30 . GLU . 11154 1 31 . ARG . 11154 1 32 . ILE . 11154 1 33 . THR . 11154 1 34 . LEU . 11154 1 35 . LEU . 11154 1 36 . ARG . 11154 1 37 . GLN . 11154 1 38 . VAL . 11154 1 39 . ASP . 11154 1 40 . GLU . 11154 1 41 . ASN . 11154 1 42 . TRP . 11154 1 43 . TYR . 11154 1 44 . GLU . 11154 1 45 . GLY . 11154 1 46 . ARG . 11154 1 47 . ILE . 11154 1 48 . PRO . 11154 1 49 . GLY . 11154 1 50 . THR . 11154 1 51 . SER . 11154 1 52 . ARG . 11154 1 53 . GLN . 11154 1 54 . GLY . 11154 1 55 . ILE . 11154 1 56 . PHE . 11154 1 57 . PRO . 11154 1 58 . ILE . 11154 1 59 . THR . 11154 1 60 . TYR . 11154 1 61 . VAL . 11154 1 62 . ASP . 11154 1 63 . VAL . 11154 1 64 . ILE . 11154 1 65 . SER . 11154 1 66 . GLY . 11154 1 67 . PRO . 11154 1 68 . SER . 11154 1 69 . SER . 11154 1 70 . GLY . 11154 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 11154 1 . SER 2 2 11154 1 . SER 3 3 11154 1 . GLY 4 4 11154 1 . SER 5 5 11154 1 . SER 6 6 11154 1 . GLY 7 7 11154 1 . GLY 8 8 11154 1 . GLU 9 9 11154 1 . ALA 10 10 11154 1 . ILE 11 11 11154 1 . ALA 12 12 11154 1 . LYS 13 13 11154 1 . PHE 14 14 11154 1 . ASN 15 15 11154 1 . PHE 16 16 11154 1 . ASN 17 17 11154 1 . GLY 18 18 11154 1 . ASP 19 19 11154 1 . THR 20 20 11154 1 . GLN 21 21 11154 1 . VAL 22 22 11154 1 . GLU 23 23 11154 1 . MET 24 24 11154 1 . SER 25 25 11154 1 . PHE 26 26 11154 1 . ARG 27 27 11154 1 . LYS 28 28 11154 1 . GLY 29 29 11154 1 . GLU 30 30 11154 1 . ARG 31 31 11154 1 . ILE 32 32 11154 1 . THR 33 33 11154 1 . LEU 34 34 11154 1 . LEU 35 35 11154 1 . ARG 36 36 11154 1 . GLN 37 37 11154 1 . VAL 38 38 11154 1 . ASP 39 39 11154 1 . GLU 40 40 11154 1 . ASN 41 41 11154 1 . TRP 42 42 11154 1 . TYR 43 43 11154 1 . GLU 44 44 11154 1 . GLY 45 45 11154 1 . ARG 46 46 11154 1 . ILE 47 47 11154 1 . PRO 48 48 11154 1 . GLY 49 49 11154 1 . THR 50 50 11154 1 . SER 51 51 11154 1 . ARG 52 52 11154 1 . GLN 53 53 11154 1 . GLY 54 54 11154 1 . ILE 55 55 11154 1 . PHE 56 56 11154 1 . PRO 57 57 11154 1 . ILE 58 58 11154 1 . THR 59 59 11154 1 . TYR 60 60 11154 1 . VAL 61 61 11154 1 . ASP 62 62 11154 1 . VAL 63 63 11154 1 . ILE 64 64 11154 1 . SER 65 65 11154 1 . GLY 66 66 11154 1 . PRO 67 67 11154 1 . SER 68 68 11154 1 . SER 69 69 11154 1 . GLY 70 70 11154 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 11154 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11154 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 11154 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 526 Escherichia coli . . . . . . . . . . . . . . . . P050613-24 . . . . . . 11154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11154 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.75mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.75 . . mM . . . . 11154 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11154 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11154 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11154 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11154 1 6 H2O . . . . . . solvent 90 . . % . . . . 11154 1 7 D2O . . . . . . solvent 10 . . % . . . . 11154 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11154 _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' 120 0.1 mM 11154 1 pH 7.0 0.05 pH 11154 1 pressure 1 0.001 atm 11154 1 temperature 298 0.1 K 11154 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11154 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11154 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11154 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11154 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11154 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11154 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11154 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11154 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11154 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11154 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11154 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11154 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11154 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11154 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 11154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11154 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11154 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 11154 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11154 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11154 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11154 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11154 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11154 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11154 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11154 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11154 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 1 $XWINNMR . . 11154 1 2 $NMRPipe . . 11154 1 3 $NMRView . . 11154 1 4 $Kujira . . 11154 1 5 $CYANA . . 11154 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 6 6 SER HA H 1 4.554 0.030 . 1 . . . . 6 SER HA . 11154 1 2 . 1 1 6 6 SER HB2 H 1 3.937 0.030 . 1 . . . . 6 SER HB2 . 11154 1 3 . 1 1 6 6 SER HB3 H 1 3.937 0.030 . 1 . . . . 6 SER HB3 . 11154 1 4 . 1 1 6 6 SER C C 13 174.683 0.300 . 1 . . . . 6 SER C . 11154 1 5 . 1 1 6 6 SER CA C 13 58.429 0.300 . 1 . . . . 6 SER CA . 11154 1 6 . 1 1 6 6 SER CB C 13 64.018 0.300 . 1 . . . . 6 SER CB . 11154 1 7 . 1 1 7 7 GLY H H 1 8.357 0.030 . 1 . . . . 7 GLY H . 11154 1 8 . 1 1 7 7 GLY HA2 H 1 4.064 0.030 . 2 . . . . 7 GLY HA2 . 11154 1 9 . 1 1 7 7 GLY HA3 H 1 3.980 0.030 . 2 . . . . 7 GLY HA3 . 11154 1 10 . 1 1 7 7 GLY C C 13 173.906 0.300 . 1 . . . . 7 GLY C . 11154 1 11 . 1 1 7 7 GLY CA C 13 45.305 0.300 . 1 . . . . 7 GLY CA . 11154 1 12 . 1 1 7 7 GLY N N 15 110.492 0.300 . 1 . . . . 7 GLY N . 11154 1 13 . 1 1 8 8 GLY H H 1 8.211 0.030 . 1 . . . . 8 GLY H . 11154 1 14 . 1 1 8 8 GLY HA2 H 1 4.082 0.030 . 2 . . . . 8 GLY HA2 . 11154 1 15 . 1 1 8 8 GLY HA3 H 1 4.007 0.030 . 2 . . . . 8 GLY HA3 . 11154 1 16 . 1 1 8 8 GLY C C 13 172.959 0.300 . 1 . . . . 8 GLY C . 11154 1 17 . 1 1 8 8 GLY CA C 13 44.832 0.300 . 1 . . . . 8 GLY CA . 11154 1 18 . 1 1 8 8 GLY N N 15 107.819 0.300 . 1 . . . . 8 GLY N . 11154 1 19 . 1 1 9 9 GLU H H 1 8.557 0.030 . 1 . . . . 9 GLU H . 11154 1 20 . 1 1 9 9 GLU HA H 1 5.205 0.030 . 1 . . . . 9 GLU HA . 11154 1 21 . 1 1 9 9 GLU HB2 H 1 1.952 0.030 . 2 . . . . 9 GLU HB2 . 11154 1 22 . 1 1 9 9 GLU HB3 H 1 1.861 0.030 . 2 . . . . 9 GLU HB3 . 11154 1 23 . 1 1 9 9 GLU HG2 H 1 2.223 0.030 . 2 . . . . 9 GLU HG2 . 11154 1 24 . 1 1 9 9 GLU HG3 H 1 2.152 0.030 . 2 . . . . 9 GLU HG3 . 11154 1 25 . 1 1 9 9 GLU C C 13 174.197 0.300 . 1 . . . . 9 GLU C . 11154 1 26 . 1 1 9 9 GLU CA C 13 55.326 0.300 . 1 . . . . 9 GLU CA . 11154 1 27 . 1 1 9 9 GLU CB C 13 34.230 0.300 . 1 . . . . 9 GLU CB . 11154 1 28 . 1 1 9 9 GLU CG C 13 37.121 0.300 . 1 . . . . 9 GLU CG . 11154 1 29 . 1 1 9 9 GLU N N 15 120.712 0.300 . 1 . . . . 9 GLU N . 11154 1 30 . 1 1 10 10 ALA H H 1 9.211 0.030 . 1 . . . . 10 ALA H . 11154 1 31 . 1 1 10 10 ALA HA H 1 5.212 0.030 . 1 . . . . 10 ALA HA . 11154 1 32 . 1 1 10 10 ALA HB1 H 1 1.036 0.030 . 1 . . . . 10 ALA HB . 11154 1 33 . 1 1 10 10 ALA HB2 H 1 1.036 0.030 . 1 . . . . 10 ALA HB . 11154 1 34 . 1 1 10 10 ALA HB3 H 1 1.036 0.030 . 1 . . . . 10 ALA HB . 11154 1 35 . 1 1 10 10 ALA C C 13 174.659 0.300 . 1 . . . . 10 ALA C . 11154 1 36 . 1 1 10 10 ALA CA C 13 50.005 0.300 . 1 . . . . 10 ALA CA . 11154 1 37 . 1 1 10 10 ALA CB C 13 24.036 0.300 . 1 . . . . 10 ALA CB . 11154 1 38 . 1 1 10 10 ALA N N 15 124.385 0.300 . 1 . . . . 10 ALA N . 11154 1 39 . 1 1 11 11 ILE H H 1 8.615 0.030 . 1 . . . . 11 ILE H . 11154 1 40 . 1 1 11 11 ILE HA H 1 4.703 0.030 . 1 . . . . 11 ILE HA . 11154 1 41 . 1 1 11 11 ILE HB H 1 1.624 0.030 . 1 . . . . 11 ILE HB . 11154 1 42 . 1 1 11 11 ILE HD11 H 1 0.779 0.030 . 1 . . . . 11 ILE HD1 . 11154 1 43 . 1 1 11 11 ILE HD12 H 1 0.779 0.030 . 1 . . . . 11 ILE HD1 . 11154 1 44 . 1 1 11 11 ILE HD13 H 1 0.779 0.030 . 1 . . . . 11 ILE HD1 . 11154 1 45 . 1 1 11 11 ILE HG12 H 1 1.394 0.030 . 2 . . . . 11 ILE HG12 . 11154 1 46 . 1 1 11 11 ILE HG13 H 1 0.978 0.030 . 2 . . . . 11 ILE HG13 . 11154 1 47 . 1 1 11 11 ILE HG21 H 1 0.756 0.030 . 1 . . . . 11 ILE HG2 . 11154 1 48 . 1 1 11 11 ILE HG22 H 1 0.756 0.030 . 1 . . . . 11 ILE HG2 . 11154 1 49 . 1 1 11 11 ILE HG23 H 1 0.756 0.030 . 1 . . . . 11 ILE HG2 . 11154 1 50 . 1 1 11 11 ILE C C 13 176.480 0.300 . 1 . . . . 11 ILE C . 11154 1 51 . 1 1 11 11 ILE CA C 13 58.971 0.300 . 1 . . . . 11 ILE CA . 11154 1 52 . 1 1 11 11 ILE CB C 13 40.601 0.300 . 1 . . . . 11 ILE CB . 11154 1 53 . 1 1 11 11 ILE CD1 C 13 12.460 0.300 . 1 . . . . 11 ILE CD1 . 11154 1 54 . 1 1 11 11 ILE CG1 C 13 27.709 0.300 . 1 . . . . 11 ILE CG1 . 11154 1 55 . 1 1 11 11 ILE CG2 C 13 16.821 0.300 . 1 . . . . 11 ILE CG2 . 11154 1 56 . 1 1 11 11 ILE N N 15 118.673 0.300 . 1 . . . . 11 ILE N . 11154 1 57 . 1 1 12 12 ALA H H 1 8.637 0.030 . 1 . . . . 12 ALA H . 11154 1 58 . 1 1 12 12 ALA HA H 1 4.140 0.030 . 1 . . . . 12 ALA HA . 11154 1 59 . 1 1 12 12 ALA HB1 H 1 1.404 0.030 . 1 . . . . 12 ALA HB . 11154 1 60 . 1 1 12 12 ALA HB2 H 1 1.404 0.030 . 1 . . . . 12 ALA HB . 11154 1 61 . 1 1 12 12 ALA HB3 H 1 1.404 0.030 . 1 . . . . 12 ALA HB . 11154 1 62 . 1 1 12 12 ALA C C 13 178.496 0.300 . 1 . . . . 12 ALA C . 11154 1 63 . 1 1 12 12 ALA CA C 13 53.468 0.300 . 1 . . . . 12 ALA CA . 11154 1 64 . 1 1 12 12 ALA CB C 13 21.274 0.300 . 1 . . . . 12 ALA CB . 11154 1 65 . 1 1 12 12 ALA N N 15 129.474 0.300 . 1 . . . . 12 ALA N . 11154 1 66 . 1 1 13 13 LYS H H 1 9.381 0.030 . 1 . . . . 13 LYS H . 11154 1 67 . 1 1 13 13 LYS HA H 1 4.094 0.030 . 1 . . . . 13 LYS HA . 11154 1 68 . 1 1 13 13 LYS HB2 H 1 1.050 0.030 . 1 . . . . 13 LYS HB2 . 11154 1 69 . 1 1 13 13 LYS HB3 H 1 1.050 0.030 . 1 . . . . 13 LYS HB3 . 11154 1 70 . 1 1 13 13 LYS HD2 H 1 1.380 0.030 . 2 . . . . 13 LYS HD2 . 11154 1 71 . 1 1 13 13 LYS HD3 H 1 1.346 0.030 . 2 . . . . 13 LYS HD3 . 11154 1 72 . 1 1 13 13 LYS HE2 H 1 2.687 0.030 . 1 . . . . 13 LYS HE2 . 11154 1 73 . 1 1 13 13 LYS HE3 H 1 2.687 0.030 . 1 . . . . 13 LYS HE3 . 11154 1 74 . 1 1 13 13 LYS HG2 H 1 0.838 0.030 . 2 . . . . 13 LYS HG2 . 11154 1 75 . 1 1 13 13 LYS HG3 H 1 0.751 0.030 . 2 . . . . 13 LYS HG3 . 11154 1 76 . 1 1 13 13 LYS C C 13 174.319 0.300 . 1 . . . . 13 LYS C . 11154 1 77 . 1 1 13 13 LYS CA C 13 57.119 0.300 . 1 . . . . 13 LYS CA . 11154 1 78 . 1 1 13 13 LYS CB C 13 33.969 0.300 . 1 . . . . 13 LYS CB . 11154 1 79 . 1 1 13 13 LYS CD C 13 29.111 0.300 . 1 . . . . 13 LYS CD . 11154 1 80 . 1 1 13 13 LYS CE C 13 41.495 0.300 . 1 . . . . 13 LYS CE . 11154 1 81 . 1 1 13 13 LYS CG C 13 24.412 0.300 . 1 . . . . 13 LYS CG . 11154 1 82 . 1 1 13 13 LYS N N 15 126.828 0.300 . 1 . . . . 13 LYS N . 11154 1 83 . 1 1 14 14 PHE H H 1 7.348 0.030 . 1 . . . . 14 PHE H . 11154 1 84 . 1 1 14 14 PHE HA H 1 4.983 0.030 . 1 . . . . 14 PHE HA . 11154 1 85 . 1 1 14 14 PHE HB2 H 1 2.610 0.030 . 2 . . . . 14 PHE HB2 . 11154 1 86 . 1 1 14 14 PHE HB3 H 1 3.445 0.030 . 2 . . . . 14 PHE HB3 . 11154 1 87 . 1 1 14 14 PHE HD1 H 1 6.945 0.030 . 1 . . . . 14 PHE HD1 . 11154 1 88 . 1 1 14 14 PHE HD2 H 1 6.945 0.030 . 1 . . . . 14 PHE HD2 . 11154 1 89 . 1 1 14 14 PHE HE1 H 1 7.182 0.030 . 1 . . . . 14 PHE HE1 . 11154 1 90 . 1 1 14 14 PHE HE2 H 1 7.182 0.030 . 1 . . . . 14 PHE HE2 . 11154 1 91 . 1 1 14 14 PHE HZ H 1 7.204 0.030 . 1 . . . . 14 PHE HZ . 11154 1 92 . 1 1 14 14 PHE C C 13 174.197 0.300 . 1 . . . . 14 PHE C . 11154 1 93 . 1 1 14 14 PHE CA C 13 53.928 0.300 . 1 . . . . 14 PHE CA . 11154 1 94 . 1 1 14 14 PHE CB C 13 43.679 0.300 . 1 . . . . 14 PHE CB . 11154 1 95 . 1 1 14 14 PHE CD1 C 13 132.338 0.300 . 1 . . . . 14 PHE CD1 . 11154 1 96 . 1 1 14 14 PHE CD2 C 13 132.338 0.300 . 1 . . . . 14 PHE CD2 . 11154 1 97 . 1 1 14 14 PHE CE1 C 13 131.003 0.300 . 1 . . . . 14 PHE CE1 . 11154 1 98 . 1 1 14 14 PHE CE2 C 13 131.003 0.300 . 1 . . . . 14 PHE CE2 . 11154 1 99 . 1 1 14 14 PHE CZ C 13 129.587 0.300 . 1 . . . . 14 PHE CZ . 11154 1 100 . 1 1 14 14 PHE N N 15 113.592 0.300 . 1 . . . . 14 PHE N . 11154 1 101 . 1 1 15 15 ASN H H 1 8.696 0.030 . 1 . . . . 15 ASN H . 11154 1 102 . 1 1 15 15 ASN HA H 1 4.803 0.030 . 1 . . . . 15 ASN HA . 11154 1 103 . 1 1 15 15 ASN HB2 H 1 2.884 0.030 . 1 . . . . 15 ASN HB2 . 11154 1 104 . 1 1 15 15 ASN HB3 H 1 2.884 0.030 . 1 . . . . 15 ASN HB3 . 11154 1 105 . 1 1 15 15 ASN HD21 H 1 7.870 0.030 . 2 . . . . 15 ASN HD21 . 11154 1 106 . 1 1 15 15 ASN HD22 H 1 6.933 0.030 . 2 . . . . 15 ASN HD22 . 11154 1 107 . 1 1 15 15 ASN C C 13 174.634 0.300 . 1 . . . . 15 ASN C . 11154 1 108 . 1 1 15 15 ASN CA C 13 53.665 0.300 . 1 . . . . 15 ASN CA . 11154 1 109 . 1 1 15 15 ASN CB C 13 38.425 0.300 . 1 . . . . 15 ASN CB . 11154 1 110 . 1 1 15 15 ASN N N 15 116.426 0.300 . 1 . . . . 15 ASN N . 11154 1 111 . 1 1 15 15 ASN ND2 N 15 113.857 0.300 . 1 . . . . 15 ASN ND2 . 11154 1 112 . 1 1 16 16 PHE H H 1 8.532 0.030 . 1 . . . . 16 PHE H . 11154 1 113 . 1 1 16 16 PHE HA H 1 4.788 0.030 . 1 . . . . 16 PHE HA . 11154 1 114 . 1 1 16 16 PHE HB2 H 1 1.096 0.030 . 2 . . . . 16 PHE HB2 . 11154 1 115 . 1 1 16 16 PHE HB3 H 1 2.456 0.030 . 2 . . . . 16 PHE HB3 . 11154 1 116 . 1 1 16 16 PHE HD1 H 1 6.857 0.030 . 1 . . . . 16 PHE HD1 . 11154 1 117 . 1 1 16 16 PHE HD2 H 1 6.857 0.030 . 1 . . . . 16 PHE HD2 . 11154 1 118 . 1 1 16 16 PHE HE1 H 1 7.292 0.030 . 1 . . . . 16 PHE HE1 . 11154 1 119 . 1 1 16 16 PHE HE2 H 1 7.292 0.030 . 1 . . . . 16 PHE HE2 . 11154 1 120 . 1 1 16 16 PHE HZ H 1 7.733 0.030 . 1 . . . . 16 PHE HZ . 11154 1 121 . 1 1 16 16 PHE C C 13 173.177 0.300 . 1 . . . . 16 PHE C . 11154 1 122 . 1 1 16 16 PHE CA C 13 56.326 0.300 . 1 . . . . 16 PHE CA . 11154 1 123 . 1 1 16 16 PHE CB C 13 42.360 0.300 . 1 . . . . 16 PHE CB . 11154 1 124 . 1 1 16 16 PHE CD1 C 13 132.633 0.300 . 1 . . . . 16 PHE CD1 . 11154 1 125 . 1 1 16 16 PHE CD2 C 13 132.633 0.300 . 1 . . . . 16 PHE CD2 . 11154 1 126 . 1 1 16 16 PHE CE1 C 13 131.159 0.300 . 1 . . . . 16 PHE CE1 . 11154 1 127 . 1 1 16 16 PHE CE2 C 13 131.159 0.300 . 1 . . . . 16 PHE CE2 . 11154 1 128 . 1 1 16 16 PHE CZ C 13 129.842 0.300 . 1 . . . . 16 PHE CZ . 11154 1 129 . 1 1 16 16 PHE N N 15 123.030 0.300 . 1 . . . . 16 PHE N . 11154 1 130 . 1 1 17 17 ASN H H 1 8.096 0.030 . 1 . . . . 17 ASN H . 11154 1 131 . 1 1 17 17 ASN HA H 1 4.641 0.030 . 1 . . . . 17 ASN HA . 11154 1 132 . 1 1 17 17 ASN HB2 H 1 2.447 0.030 . 1 . . . . 17 ASN HB2 . 11154 1 133 . 1 1 17 17 ASN HB3 H 1 2.447 0.030 . 1 . . . . 17 ASN HB3 . 11154 1 134 . 1 1 17 17 ASN HD21 H 1 6.941 0.030 . 2 . . . . 17 ASN HD21 . 11154 1 135 . 1 1 17 17 ASN HD22 H 1 7.571 0.030 . 2 . . . . 17 ASN HD22 . 11154 1 136 . 1 1 17 17 ASN C C 13 173.420 0.300 . 1 . . . . 17 ASN C . 11154 1 137 . 1 1 17 17 ASN CA C 13 51.212 0.300 . 1 . . . . 17 ASN CA . 11154 1 138 . 1 1 17 17 ASN CB C 13 39.474 0.300 . 1 . . . . 17 ASN CB . 11154 1 139 . 1 1 17 17 ASN N N 15 126.920 0.300 . 1 . . . . 17 ASN N . 11154 1 140 . 1 1 17 17 ASN ND2 N 15 115.188 0.300 . 1 . . . . 17 ASN ND2 . 11154 1 141 . 1 1 18 18 GLY H H 1 8.050 0.030 . 1 . . . . 18 GLY H . 11154 1 142 . 1 1 18 18 GLY HA2 H 1 3.234 0.030 . 2 . . . . 18 GLY HA2 . 11154 1 143 . 1 1 18 18 GLY HA3 H 1 3.702 0.030 . 2 . . . . 18 GLY HA3 . 11154 1 144 . 1 1 18 18 GLY C C 13 173.575 0.300 . 1 . . . . 18 GLY C . 11154 1 145 . 1 1 18 18 GLY CA C 13 45.795 0.300 . 1 . . . . 18 GLY CA . 11154 1 146 . 1 1 18 18 GLY N N 15 111.295 0.300 . 1 . . . . 18 GLY N . 11154 1 147 . 1 1 19 19 ASP H H 1 8.844 0.030 . 1 . . . . 19 ASP H . 11154 1 148 . 1 1 19 19 ASP HA H 1 4.715 0.030 . 1 . . . . 19 ASP HA . 11154 1 149 . 1 1 19 19 ASP HB2 H 1 2.764 0.030 . 1 . . . . 19 ASP HB2 . 11154 1 150 . 1 1 19 19 ASP HB3 H 1 2.764 0.030 . 1 . . . . 19 ASP HB3 . 11154 1 151 . 1 1 19 19 ASP C C 13 176.485 0.300 . 1 . . . . 19 ASP C . 11154 1 152 . 1 1 19 19 ASP CA C 13 55.479 0.300 . 1 . . . . 19 ASP CA . 11154 1 153 . 1 1 19 19 ASP CB C 13 43.287 0.300 . 1 . . . . 19 ASP CB . 11154 1 154 . 1 1 19 19 ASP N N 15 122.416 0.300 . 1 . . . . 19 ASP N . 11154 1 155 . 1 1 20 20 THR H H 1 7.590 0.030 . 1 . . . . 20 THR H . 11154 1 156 . 1 1 20 20 THR HA H 1 4.655 0.030 . 1 . . . . 20 THR HA . 11154 1 157 . 1 1 20 20 THR HB H 1 4.436 0.030 . 1 . . . . 20 THR HB . 11154 1 158 . 1 1 20 20 THR HG21 H 1 1.205 0.030 . 1 . . . . 20 THR HG2 . 11154 1 159 . 1 1 20 20 THR HG22 H 1 1.205 0.030 . 1 . . . . 20 THR HG2 . 11154 1 160 . 1 1 20 20 THR HG23 H 1 1.205 0.030 . 1 . . . . 20 THR HG2 . 11154 1 161 . 1 1 20 20 THR C C 13 176.167 0.300 . 1 . . . . 20 THR C . 11154 1 162 . 1 1 20 20 THR CA C 13 60.473 0.300 . 1 . . . . 20 THR CA . 11154 1 163 . 1 1 20 20 THR CB C 13 71.972 0.300 . 1 . . . . 20 THR CB . 11154 1 164 . 1 1 20 20 THR CG2 C 13 21.504 0.300 . 1 . . . . 20 THR CG2 . 11154 1 165 . 1 1 20 20 THR N N 15 108.754 0.300 . 1 . . . . 20 THR N . 11154 1 166 . 1 1 21 21 GLN H H 1 8.750 0.030 . 1 . . . . 21 GLN H . 11154 1 167 . 1 1 21 21 GLN HA H 1 4.215 0.030 . 1 . . . . 21 GLN HA . 11154 1 168 . 1 1 21 21 GLN HB2 H 1 2.179 0.030 . 1 . . . . 21 GLN HB2 . 11154 1 169 . 1 1 21 21 GLN HB3 H 1 2.179 0.030 . 1 . . . . 21 GLN HB3 . 11154 1 170 . 1 1 21 21 GLN HE21 H 1 6.880 0.030 . 2 . . . . 21 GLN HE21 . 11154 1 171 . 1 1 21 21 GLN HE22 H 1 7.608 0.030 . 2 . . . . 21 GLN HE22 . 11154 1 172 . 1 1 21 21 GLN HG2 H 1 2.483 0.030 . 1 . . . . 21 GLN HG2 . 11154 1 173 . 1 1 21 21 GLN HG3 H 1 2.483 0.030 . 1 . . . . 21 GLN HG3 . 11154 1 174 . 1 1 21 21 GLN C C 13 176.626 0.300 . 1 . . . . 21 GLN C . 11154 1 175 . 1 1 21 21 GLN CA C 13 58.369 0.300 . 1 . . . . 21 GLN CA . 11154 1 176 . 1 1 21 21 GLN CB C 13 28.781 0.300 . 1 . . . . 21 GLN CB . 11154 1 177 . 1 1 21 21 GLN CG C 13 33.974 0.300 . 1 . . . . 21 GLN CG . 11154 1 178 . 1 1 21 21 GLN N N 15 118.564 0.300 . 1 . . . . 21 GLN N . 11154 1 179 . 1 1 21 21 GLN NE2 N 15 112.423 0.300 . 1 . . . . 21 GLN NE2 . 11154 1 180 . 1 1 22 22 VAL H H 1 7.295 0.030 . 1 . . . . 22 VAL H . 11154 1 181 . 1 1 22 22 VAL HA H 1 4.278 0.030 . 1 . . . . 22 VAL HA . 11154 1 182 . 1 1 22 22 VAL HB H 1 2.230 0.030 . 1 . . . . 22 VAL HB . 11154 1 183 . 1 1 22 22 VAL HG11 H 1 0.944 0.030 . 1 . . . . 22 VAL HG1 . 11154 1 184 . 1 1 22 22 VAL HG12 H 1 0.944 0.030 . 1 . . . . 22 VAL HG1 . 11154 1 185 . 1 1 22 22 VAL HG13 H 1 0.944 0.030 . 1 . . . . 22 VAL HG1 . 11154 1 186 . 1 1 22 22 VAL HG21 H 1 0.878 0.030 . 1 . . . . 22 VAL HG2 . 11154 1 187 . 1 1 22 22 VAL HG22 H 1 0.878 0.030 . 1 . . . . 22 VAL HG2 . 11154 1 188 . 1 1 22 22 VAL HG23 H 1 0.878 0.030 . 1 . . . . 22 VAL HG2 . 11154 1 189 . 1 1 22 22 VAL C C 13 176.626 0.300 . 1 . . . . 22 VAL C . 11154 1 190 . 1 1 22 22 VAL CA C 13 62.446 0.300 . 1 . . . . 22 VAL CA . 11154 1 191 . 1 1 22 22 VAL CB C 13 32.021 0.300 . 1 . . . . 22 VAL CB . 11154 1 192 . 1 1 22 22 VAL CG1 C 13 21.198 0.300 . 2 . . . . 22 VAL CG1 . 11154 1 193 . 1 1 22 22 VAL CG2 C 13 19.978 0.300 . 2 . . . . 22 VAL CG2 . 11154 1 194 . 1 1 22 22 VAL N N 15 111.713 0.300 . 1 . . . . 22 VAL N . 11154 1 195 . 1 1 23 23 GLU H H 1 7.483 0.030 . 1 . . . . 23 GLU H . 11154 1 196 . 1 1 23 23 GLU HA H 1 4.937 0.030 . 1 . . . . 23 GLU HA . 11154 1 197 . 1 1 23 23 GLU HB2 H 1 2.381 0.030 . 2 . . . . 23 GLU HB2 . 11154 1 198 . 1 1 23 23 GLU HB3 H 1 2.182 0.030 . 2 . . . . 23 GLU HB3 . 11154 1 199 . 1 1 23 23 GLU HG2 H 1 2.321 0.030 . 2 . . . . 23 GLU HG2 . 11154 1 200 . 1 1 23 23 GLU HG3 H 1 2.146 0.030 . 2 . . . . 23 GLU HG3 . 11154 1 201 . 1 1 23 23 GLU C C 13 175.533 0.300 . 1 . . . . 23 GLU C . 11154 1 202 . 1 1 23 23 GLU CA C 13 55.621 0.300 . 1 . . . . 23 GLU CA . 11154 1 203 . 1 1 23 23 GLU CB C 13 31.789 0.300 . 1 . . . . 23 GLU CB . 11154 1 204 . 1 1 23 23 GLU CG C 13 37.401 0.300 . 1 . . . . 23 GLU CG . 11154 1 205 . 1 1 23 23 GLU N N 15 121.779 0.300 . 1 . . . . 23 GLU N . 11154 1 206 . 1 1 24 24 MET H H 1 9.173 0.030 . 1 . . . . 24 MET H . 11154 1 207 . 1 1 24 24 MET HA H 1 4.601 0.030 . 1 . . . . 24 MET HA . 11154 1 208 . 1 1 24 24 MET HB2 H 1 1.436 0.030 . 2 . . . . 24 MET HB2 . 11154 1 209 . 1 1 24 24 MET HB3 H 1 2.253 0.030 . 2 . . . . 24 MET HB3 . 11154 1 210 . 1 1 24 24 MET HE1 H 1 1.778 0.030 . 1 . . . . 24 MET HE . 11154 1 211 . 1 1 24 24 MET HE2 H 1 1.778 0.030 . 1 . . . . 24 MET HE . 11154 1 212 . 1 1 24 24 MET HE3 H 1 1.778 0.030 . 1 . . . . 24 MET HE . 11154 1 213 . 1 1 24 24 MET HG2 H 1 2.410 0.030 . 2 . . . . 24 MET HG2 . 11154 1 214 . 1 1 24 24 MET HG3 H 1 2.496 0.030 . 2 . . . . 24 MET HG3 . 11154 1 215 . 1 1 24 24 MET C C 13 172.910 0.300 . 1 . . . . 24 MET C . 11154 1 216 . 1 1 24 24 MET CA C 13 54.275 0.300 . 1 . . . . 24 MET CA . 11154 1 217 . 1 1 24 24 MET CB C 13 35.130 0.300 . 1 . . . . 24 MET CB . 11154 1 218 . 1 1 24 24 MET CE C 13 17.033 0.300 . 1 . . . . 24 MET CE . 11154 1 219 . 1 1 24 24 MET CG C 13 31.388 0.300 . 1 . . . . 24 MET CG . 11154 1 220 . 1 1 24 24 MET N N 15 125.718 0.300 . 1 . . . . 24 MET N . 11154 1 221 . 1 1 25 25 SER H H 1 7.912 0.030 . 1 . . . . 25 SER H . 11154 1 222 . 1 1 25 25 SER HA H 1 4.456 0.030 . 1 . . . . 25 SER HA . 11154 1 223 . 1 1 25 25 SER HB2 H 1 3.734 0.030 . 2 . . . . 25 SER HB2 . 11154 1 224 . 1 1 25 25 SER HB3 H 1 4.075 0.030 . 2 . . . . 25 SER HB3 . 11154 1 225 . 1 1 25 25 SER C C 13 174.853 0.300 . 1 . . . . 25 SER C . 11154 1 226 . 1 1 25 25 SER CA C 13 58.833 0.300 . 1 . . . . 25 SER CA . 11154 1 227 . 1 1 25 25 SER CB C 13 64.309 0.300 . 1 . . . . 25 SER CB . 11154 1 228 . 1 1 25 25 SER N N 15 118.397 0.300 . 1 . . . . 25 SER N . 11154 1 229 . 1 1 26 26 PHE H H 1 8.866 0.030 . 1 . . . . 26 PHE H . 11154 1 230 . 1 1 26 26 PHE HA H 1 4.589 0.030 . 1 . . . . 26 PHE HA . 11154 1 231 . 1 1 26 26 PHE HB2 H 1 3.238 0.030 . 2 . . . . 26 PHE HB2 . 11154 1 232 . 1 1 26 26 PHE HB3 H 1 3.072 0.030 . 2 . . . . 26 PHE HB3 . 11154 1 233 . 1 1 26 26 PHE HD1 H 1 6.849 0.030 . 1 . . . . 26 PHE HD1 . 11154 1 234 . 1 1 26 26 PHE HD2 H 1 6.849 0.030 . 1 . . . . 26 PHE HD2 . 11154 1 235 . 1 1 26 26 PHE HE1 H 1 7.121 0.030 . 1 . . . . 26 PHE HE1 . 11154 1 236 . 1 1 26 26 PHE HE2 H 1 7.121 0.030 . 1 . . . . 26 PHE HE2 . 11154 1 237 . 1 1 26 26 PHE HZ H 1 6.659 0.030 . 1 . . . . 26 PHE HZ . 11154 1 238 . 1 1 26 26 PHE C C 13 174.974 0.300 . 1 . . . . 26 PHE C . 11154 1 239 . 1 1 26 26 PHE CA C 13 56.749 0.300 . 1 . . . . 26 PHE CA . 11154 1 240 . 1 1 26 26 PHE CB C 13 39.925 0.300 . 1 . . . . 26 PHE CB . 11154 1 241 . 1 1 26 26 PHE CD1 C 13 133.029 0.300 . 1 . . . . 26 PHE CD1 . 11154 1 242 . 1 1 26 26 PHE CD2 C 13 133.029 0.300 . 1 . . . . 26 PHE CD2 . 11154 1 243 . 1 1 26 26 PHE CE1 C 13 131.520 0.300 . 1 . . . . 26 PHE CE1 . 11154 1 244 . 1 1 26 26 PHE CE2 C 13 131.520 0.300 . 1 . . . . 26 PHE CE2 . 11154 1 245 . 1 1 26 26 PHE CZ C 13 128.094 0.300 . 1 . . . . 26 PHE CZ . 11154 1 246 . 1 1 26 26 PHE N N 15 116.443 0.300 . 1 . . . . 26 PHE N . 11154 1 247 . 1 1 27 27 ARG H H 1 10.250 0.030 . 1 . . . . 27 ARG H . 11154 1 248 . 1 1 27 27 ARG HA H 1 5.047 0.030 . 1 . . . . 27 ARG HA . 11154 1 249 . 1 1 27 27 ARG HB2 H 1 1.727 0.030 . 2 . . . . 27 ARG HB2 . 11154 1 250 . 1 1 27 27 ARG HB3 H 1 1.949 0.030 . 2 . . . . 27 ARG HB3 . 11154 1 251 . 1 1 27 27 ARG HD2 H 1 3.180 0.030 . 1 . . . . 27 ARG HD2 . 11154 1 252 . 1 1 27 27 ARG HD3 H 1 3.180 0.030 . 1 . . . . 27 ARG HD3 . 11154 1 253 . 1 1 27 27 ARG HG2 H 1 1.719 0.030 . 2 . . . . 27 ARG HG2 . 11154 1 254 . 1 1 27 27 ARG HG3 H 1 1.678 0.030 . 2 . . . . 27 ARG HG3 . 11154 1 255 . 1 1 27 27 ARG C C 13 175.509 0.300 . 1 . . . . 27 ARG C . 11154 1 256 . 1 1 27 27 ARG CA C 13 53.482 0.300 . 1 . . . . 27 ARG CA . 11154 1 257 . 1 1 27 27 ARG CB C 13 32.890 0.300 . 1 . . . . 27 ARG CB . 11154 1 258 . 1 1 27 27 ARG CD C 13 42.975 0.300 . 1 . . . . 27 ARG CD . 11154 1 259 . 1 1 27 27 ARG CG C 13 27.297 0.300 . 1 . . . . 27 ARG CG . 11154 1 260 . 1 1 27 27 ARG N N 15 121.925 0.300 . 1 . . . . 27 ARG N . 11154 1 261 . 1 1 28 28 LYS H H 1 8.400 0.030 . 1 . . . . 28 LYS H . 11154 1 262 . 1 1 28 28 LYS HA H 1 3.328 0.030 . 1 . . . . 28 LYS HA . 11154 1 263 . 1 1 28 28 LYS HB2 H 1 1.657 0.030 . 2 . . . . 28 LYS HB2 . 11154 1 264 . 1 1 28 28 LYS HB3 H 1 1.485 0.030 . 2 . . . . 28 LYS HB3 . 11154 1 265 . 1 1 28 28 LYS HD2 H 1 1.706 0.030 . 2 . . . . 28 LYS HD2 . 11154 1 266 . 1 1 28 28 LYS HD3 H 1 1.655 0.030 . 2 . . . . 28 LYS HD3 . 11154 1 267 . 1 1 28 28 LYS HE2 H 1 2.989 0.030 . 1 . . . . 28 LYS HE2 . 11154 1 268 . 1 1 28 28 LYS HE3 H 1 2.989 0.030 . 1 . . . . 28 LYS HE3 . 11154 1 269 . 1 1 28 28 LYS HG2 H 1 1.156 0.030 . 1 . . . . 28 LYS HG2 . 11154 1 270 . 1 1 28 28 LYS HG3 H 1 1.156 0.030 . 1 . . . . 28 LYS HG3 . 11154 1 271 . 1 1 28 28 LYS C C 13 176.747 0.300 . 1 . . . . 28 LYS C . 11154 1 272 . 1 1 28 28 LYS CA C 13 58.560 0.300 . 1 . . . . 28 LYS CA . 11154 1 273 . 1 1 28 28 LYS CB C 13 32.971 0.300 . 1 . . . . 28 LYS CB . 11154 1 274 . 1 1 28 28 LYS CD C 13 29.654 0.300 . 1 . . . . 28 LYS CD . 11154 1 275 . 1 1 28 28 LYS CE C 13 42.152 0.300 . 1 . . . . 28 LYS CE . 11154 1 276 . 1 1 28 28 LYS CG C 13 24.614 0.300 . 1 . . . . 28 LYS CG . 11154 1 277 . 1 1 28 28 LYS N N 15 120.049 0.300 . 1 . . . . 28 LYS N . 11154 1 278 . 1 1 29 29 GLY H H 1 8.778 0.030 . 1 . . . . 29 GLY H . 11154 1 279 . 1 1 29 29 GLY HA2 H 1 3.457 0.030 . 2 . . . . 29 GLY HA2 . 11154 1 280 . 1 1 29 29 GLY HA3 H 1 4.406 0.030 . 2 . . . . 29 GLY HA3 . 11154 1 281 . 1 1 29 29 GLY C C 13 174.440 0.300 . 1 . . . . 29 GLY C . 11154 1 282 . 1 1 29 29 GLY CA C 13 44.830 0.300 . 1 . . . . 29 GLY CA . 11154 1 283 . 1 1 29 29 GLY N N 15 114.232 0.300 . 1 . . . . 29 GLY N . 11154 1 284 . 1 1 30 30 GLU H H 1 7.921 0.030 . 1 . . . . 30 GLU H . 11154 1 285 . 1 1 30 30 GLU HA H 1 4.190 0.030 . 1 . . . . 30 GLU HA . 11154 1 286 . 1 1 30 30 GLU HB2 H 1 1.876 0.030 . 2 . . . . 30 GLU HB2 . 11154 1 287 . 1 1 30 30 GLU HB3 H 1 2.080 0.030 . 2 . . . . 30 GLU HB3 . 11154 1 288 . 1 1 30 30 GLU HG2 H 1 2.730 0.030 . 2 . . . . 30 GLU HG2 . 11154 1 289 . 1 1 30 30 GLU HG3 H 1 2.058 0.030 . 2 . . . . 30 GLU HG3 . 11154 1 290 . 1 1 30 30 GLU C C 13 174.562 0.300 . 1 . . . . 30 GLU C . 11154 1 291 . 1 1 30 30 GLU CA C 13 59.607 0.300 . 1 . . . . 30 GLU CA . 11154 1 292 . 1 1 30 30 GLU CB C 13 30.738 0.300 . 1 . . . . 30 GLU CB . 11154 1 293 . 1 1 30 30 GLU CG C 13 39.826 0.300 . 1 . . . . 30 GLU CG . 11154 1 294 . 1 1 30 30 GLU N N 15 119.555 0.300 . 1 . . . . 30 GLU N . 11154 1 295 . 1 1 31 31 ARG H H 1 8.154 0.030 . 1 . . . . 31 ARG H . 11154 1 296 . 1 1 31 31 ARG HA H 1 4.739 0.030 . 1 . . . . 31 ARG HA . 11154 1 297 . 1 1 31 31 ARG HB2 H 1 1.814 0.030 . 2 . . . . 31 ARG HB2 . 11154 1 298 . 1 1 31 31 ARG HB3 H 1 1.685 0.030 . 2 . . . . 31 ARG HB3 . 11154 1 299 . 1 1 31 31 ARG HD2 H 1 3.161 0.030 . 1 . . . . 31 ARG HD2 . 11154 1 300 . 1 1 31 31 ARG HD3 H 1 3.161 0.030 . 1 . . . . 31 ARG HD3 . 11154 1 301 . 1 1 31 31 ARG HG2 H 1 1.584 0.030 . 2 . . . . 31 ARG HG2 . 11154 1 302 . 1 1 31 31 ARG HG3 H 1 1.454 0.030 . 2 . . . . 31 ARG HG3 . 11154 1 303 . 1 1 31 31 ARG C C 13 174.950 0.300 . 1 . . . . 31 ARG C . 11154 1 304 . 1 1 31 31 ARG CA C 13 55.656 0.300 . 1 . . . . 31 ARG CA . 11154 1 305 . 1 1 31 31 ARG CB C 13 31.292 0.300 . 1 . . . . 31 ARG CB . 11154 1 306 . 1 1 31 31 ARG CD C 13 43.313 0.300 . 1 . . . . 31 ARG CD . 11154 1 307 . 1 1 31 31 ARG CG C 13 28.160 0.300 . 1 . . . . 31 ARG CG . 11154 1 308 . 1 1 31 31 ARG N N 15 122.481 0.300 . 1 . . . . 31 ARG N . 11154 1 309 . 1 1 32 32 ILE H H 1 8.701 0.030 . 1 . . . . 32 ILE H . 11154 1 310 . 1 1 32 32 ILE HA H 1 4.146 0.030 . 1 . . . . 32 ILE HA . 11154 1 311 . 1 1 32 32 ILE HB H 1 0.941 0.030 . 1 . . . . 32 ILE HB . 11154 1 312 . 1 1 32 32 ILE HD11 H 1 -0.760 0.030 . 1 . . . . 32 ILE HD1 . 11154 1 313 . 1 1 32 32 ILE HD12 H 1 -0.760 0.030 . 1 . . . . 32 ILE HD1 . 11154 1 314 . 1 1 32 32 ILE HD13 H 1 -0.760 0.030 . 1 . . . . 32 ILE HD1 . 11154 1 315 . 1 1 32 32 ILE HG12 H 1 0.135 0.030 . 2 . . . . 32 ILE HG12 . 11154 1 316 . 1 1 32 32 ILE HG13 H 1 0.854 0.030 . 2 . . . . 32 ILE HG13 . 11154 1 317 . 1 1 32 32 ILE HG21 H 1 0.472 0.030 . 1 . . . . 32 ILE HG2 . 11154 1 318 . 1 1 32 32 ILE HG22 H 1 0.472 0.030 . 1 . . . . 32 ILE HG2 . 11154 1 319 . 1 1 32 32 ILE HG23 H 1 0.472 0.030 . 1 . . . . 32 ILE HG2 . 11154 1 320 . 1 1 32 32 ILE C C 13 175.824 0.300 . 1 . . . . 32 ILE C . 11154 1 321 . 1 1 32 32 ILE CA C 13 60.325 0.300 . 1 . . . . 32 ILE CA . 11154 1 322 . 1 1 32 32 ILE CB C 13 43.647 0.300 . 1 . . . . 32 ILE CB . 11154 1 323 . 1 1 32 32 ILE CD1 C 13 13.873 0.300 . 1 . . . . 32 ILE CD1 . 11154 1 324 . 1 1 32 32 ILE CG1 C 13 27.413 0.300 . 1 . . . . 32 ILE CG1 . 11154 1 325 . 1 1 32 32 ILE CG2 C 13 18.412 0.300 . 1 . . . . 32 ILE CG2 . 11154 1 326 . 1 1 32 32 ILE N N 15 123.161 0.300 . 1 . . . . 32 ILE N . 11154 1 327 . 1 1 33 33 THR H H 1 9.134 0.030 . 1 . . . . 33 THR H . 11154 1 328 . 1 1 33 33 THR HA H 1 4.591 0.030 . 1 . . . . 33 THR HA . 11154 1 329 . 1 1 33 33 THR HB H 1 3.984 0.030 . 1 . . . . 33 THR HB . 11154 1 330 . 1 1 33 33 THR HG21 H 1 1.237 0.030 . 1 . . . . 33 THR HG2 . 11154 1 331 . 1 1 33 33 THR HG22 H 1 1.237 0.030 . 1 . . . . 33 THR HG2 . 11154 1 332 . 1 1 33 33 THR HG23 H 1 1.237 0.030 . 1 . . . . 33 THR HG2 . 11154 1 333 . 1 1 33 33 THR C C 13 174.246 0.300 . 1 . . . . 33 THR C . 11154 1 334 . 1 1 33 33 THR CA C 13 62.805 0.300 . 1 . . . . 33 THR CA . 11154 1 335 . 1 1 33 33 THR CB C 13 69.831 0.300 . 1 . . . . 33 THR CB . 11154 1 336 . 1 1 33 33 THR CG2 C 13 22.022 0.300 . 1 . . . . 33 THR CG2 . 11154 1 337 . 1 1 33 33 THR N N 15 123.933 0.300 . 1 . . . . 33 THR N . 11154 1 338 . 1 1 34 34 LEU H H 1 8.483 0.030 . 1 . . . . 34 LEU H . 11154 1 339 . 1 1 34 34 LEU HA H 1 4.335 0.030 . 1 . . . . 34 LEU HA . 11154 1 340 . 1 1 34 34 LEU HB2 H 1 1.557 0.030 . 2 . . . . 34 LEU HB2 . 11154 1 341 . 1 1 34 34 LEU HB3 H 1 1.088 0.030 . 2 . . . . 34 LEU HB3 . 11154 1 342 . 1 1 34 34 LEU HD11 H 1 0.491 0.030 . 1 . . . . 34 LEU HD1 . 11154 1 343 . 1 1 34 34 LEU HD12 H 1 0.491 0.030 . 1 . . . . 34 LEU HD1 . 11154 1 344 . 1 1 34 34 LEU HD13 H 1 0.491 0.030 . 1 . . . . 34 LEU HD1 . 11154 1 345 . 1 1 34 34 LEU HD21 H 1 0.420 0.030 . 1 . . . . 34 LEU HD2 . 11154 1 346 . 1 1 34 34 LEU HD22 H 1 0.420 0.030 . 1 . . . . 34 LEU HD2 . 11154 1 347 . 1 1 34 34 LEU HD23 H 1 0.420 0.030 . 1 . . . . 34 LEU HD2 . 11154 1 348 . 1 1 34 34 LEU HG H 1 1.311 0.030 . 1 . . . . 34 LEU HG . 11154 1 349 . 1 1 34 34 LEU C C 13 175.849 0.300 . 1 . . . . 34 LEU C . 11154 1 350 . 1 1 34 34 LEU CA C 13 54.849 0.300 . 1 . . . . 34 LEU CA . 11154 1 351 . 1 1 34 34 LEU CB C 13 41.640 0.300 . 1 . . . . 34 LEU CB . 11154 1 352 . 1 1 34 34 LEU CD1 C 13 25.566 0.300 . 2 . . . . 34 LEU CD1 . 11154 1 353 . 1 1 34 34 LEU CD2 C 13 23.142 0.300 . 2 . . . . 34 LEU CD2 . 11154 1 354 . 1 1 34 34 LEU CG C 13 26.651 0.300 . 1 . . . . 34 LEU CG . 11154 1 355 . 1 1 34 34 LEU N N 15 127.279 0.300 . 1 . . . . 34 LEU N . 11154 1 356 . 1 1 35 35 LEU H H 1 9.159 0.030 . 1 . . . . 35 LEU H . 11154 1 357 . 1 1 35 35 LEU HA H 1 4.590 0.030 . 1 . . . . 35 LEU HA . 11154 1 358 . 1 1 35 35 LEU HB2 H 1 1.487 0.030 . 1 . . . . 35 LEU HB2 . 11154 1 359 . 1 1 35 35 LEU HB3 H 1 1.487 0.030 . 1 . . . . 35 LEU HB3 . 11154 1 360 . 1 1 35 35 LEU HD11 H 1 0.758 0.030 . 1 . . . . 35 LEU HD1 . 11154 1 361 . 1 1 35 35 LEU HD12 H 1 0.758 0.030 . 1 . . . . 35 LEU HD1 . 11154 1 362 . 1 1 35 35 LEU HD13 H 1 0.758 0.030 . 1 . . . . 35 LEU HD1 . 11154 1 363 . 1 1 35 35 LEU HD21 H 1 0.833 0.030 . 1 . . . . 35 LEU HD2 . 11154 1 364 . 1 1 35 35 LEU HD22 H 1 0.833 0.030 . 1 . . . . 35 LEU HD2 . 11154 1 365 . 1 1 35 35 LEU HD23 H 1 0.833 0.030 . 1 . . . . 35 LEU HD2 . 11154 1 366 . 1 1 35 35 LEU HG H 1 1.548 0.030 . 1 . . . . 35 LEU HG . 11154 1 367 . 1 1 35 35 LEU C C 13 177.257 0.300 . 1 . . . . 35 LEU C . 11154 1 368 . 1 1 35 35 LEU CA C 13 56.185 0.300 . 1 . . . . 35 LEU CA . 11154 1 369 . 1 1 35 35 LEU CB C 13 43.037 0.300 . 1 . . . . 35 LEU CB . 11154 1 370 . 1 1 35 35 LEU CD1 C 13 25.319 0.300 . 2 . . . . 35 LEU CD1 . 11154 1 371 . 1 1 35 35 LEU CD2 C 13 22.791 0.300 . 2 . . . . 35 LEU CD2 . 11154 1 372 . 1 1 35 35 LEU CG C 13 27.388 0.300 . 1 . . . . 35 LEU CG . 11154 1 373 . 1 1 35 35 LEU N N 15 122.971 0.300 . 1 . . . . 35 LEU N . 11154 1 374 . 1 1 36 36 ARG H H 1 7.609 0.030 . 1 . . . . 36 ARG H . 11154 1 375 . 1 1 36 36 ARG HA H 1 4.584 0.030 . 1 . . . . 36 ARG HA . 11154 1 376 . 1 1 36 36 ARG HB2 H 1 1.704 0.030 . 2 . . . . 36 ARG HB2 . 11154 1 377 . 1 1 36 36 ARG HB3 H 1 2.121 0.030 . 2 . . . . 36 ARG HB3 . 11154 1 378 . 1 1 36 36 ARG HD2 H 1 3.055 0.030 . 2 . . . . 36 ARG HD2 . 11154 1 379 . 1 1 36 36 ARG HD3 H 1 3.157 0.030 . 2 . . . . 36 ARG HD3 . 11154 1 380 . 1 1 36 36 ARG HG2 H 1 1.228 0.030 . 2 . . . . 36 ARG HG2 . 11154 1 381 . 1 1 36 36 ARG HG3 H 1 1.486 0.030 . 2 . . . . 36 ARG HG3 . 11154 1 382 . 1 1 36 36 ARG C C 13 173.542 0.300 . 1 . . . . 36 ARG C . 11154 1 383 . 1 1 36 36 ARG CA C 13 55.474 0.300 . 1 . . . . 36 ARG CA . 11154 1 384 . 1 1 36 36 ARG CB C 13 31.996 0.300 . 1 . . . . 36 ARG CB . 11154 1 385 . 1 1 36 36 ARG CD C 13 43.502 0.300 . 1 . . . . 36 ARG CD . 11154 1 386 . 1 1 36 36 ARG CG C 13 26.509 0.300 . 1 . . . . 36 ARG CG . 11154 1 387 . 1 1 36 36 ARG N N 15 111.826 0.300 . 1 . . . . 36 ARG N . 11154 1 388 . 1 1 37 37 GLN H H 1 9.026 0.030 . 1 . . . . 37 GLN H . 11154 1 389 . 1 1 37 37 GLN HA H 1 4.039 0.030 . 1 . . . . 37 GLN HA . 11154 1 390 . 1 1 37 37 GLN HB2 H 1 1.725 0.030 . 2 . . . . 37 GLN HB2 . 11154 1 391 . 1 1 37 37 GLN HB3 H 1 1.930 0.030 . 2 . . . . 37 GLN HB3 . 11154 1 392 . 1 1 37 37 GLN HE21 H 1 6.730 0.030 . 2 . . . . 37 GLN HE21 . 11154 1 393 . 1 1 37 37 GLN HE22 H 1 7.108 0.030 . 2 . . . . 37 GLN HE22 . 11154 1 394 . 1 1 37 37 GLN HG2 H 1 2.183 0.030 . 2 . . . . 37 GLN HG2 . 11154 1 395 . 1 1 37 37 GLN HG3 H 1 1.984 0.030 . 2 . . . . 37 GLN HG3 . 11154 1 396 . 1 1 37 37 GLN C C 13 175.436 0.300 . 1 . . . . 37 GLN C . 11154 1 397 . 1 1 37 37 GLN CA C 13 56.407 0.300 . 1 . . . . 37 GLN CA . 11154 1 398 . 1 1 37 37 GLN CB C 13 28.534 0.300 . 1 . . . . 37 GLN CB . 11154 1 399 . 1 1 37 37 GLN CG C 13 33.774 0.300 . 1 . . . . 37 GLN CG . 11154 1 400 . 1 1 37 37 GLN N N 15 123.949 0.300 . 1 . . . . 37 GLN N . 11154 1 401 . 1 1 37 37 GLN NE2 N 15 110.555 0.300 . 1 . . . . 37 GLN NE2 . 11154 1 402 . 1 1 38 38 VAL H H 1 8.549 0.030 . 1 . . . . 38 VAL H . 11154 1 403 . 1 1 38 38 VAL HA H 1 3.736 0.030 . 1 . . . . 38 VAL HA . 11154 1 404 . 1 1 38 38 VAL HB H 1 1.848 0.030 . 1 . . . . 38 VAL HB . 11154 1 405 . 1 1 38 38 VAL HG11 H 1 0.819 0.030 . 1 . . . . 38 VAL HG1 . 11154 1 406 . 1 1 38 38 VAL HG12 H 1 0.819 0.030 . 1 . . . . 38 VAL HG1 . 11154 1 407 . 1 1 38 38 VAL HG13 H 1 0.819 0.030 . 1 . . . . 38 VAL HG1 . 11154 1 408 . 1 1 38 38 VAL HG21 H 1 0.770 0.030 . 1 . . . . 38 VAL HG2 . 11154 1 409 . 1 1 38 38 VAL HG22 H 1 0.770 0.030 . 1 . . . . 38 VAL HG2 . 11154 1 410 . 1 1 38 38 VAL HG23 H 1 0.770 0.030 . 1 . . . . 38 VAL HG2 . 11154 1 411 . 1 1 38 38 VAL C C 13 175.752 0.300 . 1 . . . . 38 VAL C . 11154 1 412 . 1 1 38 38 VAL CA C 13 64.951 0.300 . 1 . . . . 38 VAL CA . 11154 1 413 . 1 1 38 38 VAL CB C 13 32.768 0.300 . 1 . . . . 38 VAL CB . 11154 1 414 . 1 1 38 38 VAL CG1 C 13 20.578 0.300 . 2 . . . . 38 VAL CG1 . 11154 1 415 . 1 1 38 38 VAL CG2 C 13 21.476 0.300 . 2 . . . . 38 VAL CG2 . 11154 1 416 . 1 1 38 38 VAL N N 15 129.024 0.300 . 1 . . . . 38 VAL N . 11154 1 417 . 1 1 39 39 ASP H H 1 8.130 0.030 . 1 . . . . 39 ASP H . 11154 1 418 . 1 1 39 39 ASP HA H 1 4.478 0.030 . 1 . . . . 39 ASP HA . 11154 1 419 . 1 1 39 39 ASP HB2 H 1 3.118 0.030 . 2 . . . . 39 ASP HB2 . 11154 1 420 . 1 1 39 39 ASP HB3 H 1 3.019 0.030 . 2 . . . . 39 ASP HB3 . 11154 1 421 . 1 1 39 39 ASP C C 13 175.387 0.300 . 1 . . . . 39 ASP C . 11154 1 422 . 1 1 39 39 ASP CA C 13 53.456 0.300 . 1 . . . . 39 ASP CA . 11154 1 423 . 1 1 39 39 ASP CB C 13 40.216 0.300 . 1 . . . . 39 ASP CB . 11154 1 424 . 1 1 39 39 ASP N N 15 118.779 0.300 . 1 . . . . 39 ASP N . 11154 1 425 . 1 1 40 40 GLU H H 1 8.805 0.030 . 1 . . . . 40 GLU H . 11154 1 426 . 1 1 40 40 GLU HA H 1 3.918 0.030 . 1 . . . . 40 GLU HA . 11154 1 427 . 1 1 40 40 GLU HB2 H 1 2.009 0.030 . 1 . . . . 40 GLU HB2 . 11154 1 428 . 1 1 40 40 GLU HB3 H 1 2.009 0.030 . 1 . . . . 40 GLU HB3 . 11154 1 429 . 1 1 40 40 GLU HG2 H 1 2.285 0.030 . 1 . . . . 40 GLU HG2 . 11154 1 430 . 1 1 40 40 GLU HG3 H 1 2.285 0.030 . 1 . . . . 40 GLU HG3 . 11154 1 431 . 1 1 40 40 GLU C C 13 176.260 0.300 . 1 . . . . 40 GLU C . 11154 1 432 . 1 1 40 40 GLU CA C 13 59.318 0.300 . 1 . . . . 40 GLU CA . 11154 1 433 . 1 1 40 40 GLU CB C 13 29.440 0.300 . 1 . . . . 40 GLU CB . 11154 1 434 . 1 1 40 40 GLU CG C 13 36.189 0.300 . 1 . . . . 40 GLU CG . 11154 1 435 . 1 1 40 40 GLU N N 15 114.505 0.300 . 1 . . . . 40 GLU N . 11154 1 436 . 1 1 41 41 ASN H H 1 8.800 0.030 . 1 . . . . 41 ASN H . 11154 1 437 . 1 1 41 41 ASN HA H 1 4.930 0.030 . 1 . . . . 41 ASN HA . 11154 1 438 . 1 1 41 41 ASN HB2 H 1 2.439 0.030 . 2 . . . . 41 ASN HB2 . 11154 1 439 . 1 1 41 41 ASN HB3 H 1 2.699 0.030 . 2 . . . . 41 ASN HB3 . 11154 1 440 . 1 1 41 41 ASN HD21 H 1 7.732 0.030 . 2 . . . . 41 ASN HD21 . 11154 1 441 . 1 1 41 41 ASN HD22 H 1 6.938 0.030 . 2 . . . . 41 ASN HD22 . 11154 1 442 . 1 1 41 41 ASN C C 13 175.339 0.300 . 1 . . . . 41 ASN C . 11154 1 443 . 1 1 41 41 ASN CA C 13 54.033 0.300 . 1 . . . . 41 ASN CA . 11154 1 444 . 1 1 41 41 ASN CB C 13 42.208 0.300 . 1 . . . . 41 ASN CB . 11154 1 445 . 1 1 41 41 ASN N N 15 114.305 0.300 . 1 . . . . 41 ASN N . 11154 1 446 . 1 1 41 41 ASN ND2 N 15 115.171 0.300 . 1 . . . . 41 ASN ND2 . 11154 1 447 . 1 1 42 42 TRP H H 1 8.303 0.030 . 1 . . . . 42 TRP H . 11154 1 448 . 1 1 42 42 TRP HA H 1 4.988 0.030 . 1 . . . . 42 TRP HA . 11154 1 449 . 1 1 42 42 TRP HB2 H 1 2.848 0.030 . 2 . . . . 42 TRP HB2 . 11154 1 450 . 1 1 42 42 TRP HB3 H 1 2.807 0.030 . 2 . . . . 42 TRP HB3 . 11154 1 451 . 1 1 42 42 TRP HD1 H 1 8.056 0.030 . 1 . . . . 42 TRP HD1 . 11154 1 452 . 1 1 42 42 TRP HE1 H 1 10.174 0.030 . 1 . . . . 42 TRP HE1 . 11154 1 453 . 1 1 42 42 TRP HE3 H 1 7.171 0.030 . 1 . . . . 42 TRP HE3 . 11154 1 454 . 1 1 42 42 TRP HH2 H 1 7.311 0.030 . 1 . . . . 42 TRP HH2 . 11154 1 455 . 1 1 42 42 TRP HZ2 H 1 7.433 0.030 . 1 . . . . 42 TRP HZ2 . 11154 1 456 . 1 1 42 42 TRP HZ3 H 1 6.863 0.030 . 1 . . . . 42 TRP HZ3 . 11154 1 457 . 1 1 42 42 TRP C C 13 175.169 0.300 . 1 . . . . 42 TRP C . 11154 1 458 . 1 1 42 42 TRP CA C 13 57.187 0.300 . 1 . . . . 42 TRP CA . 11154 1 459 . 1 1 42 42 TRP CB C 13 31.206 0.300 . 1 . . . . 42 TRP CB . 11154 1 460 . 1 1 42 42 TRP CD1 C 13 129.965 0.300 . 1 . . . . 42 TRP CD1 . 11154 1 461 . 1 1 42 42 TRP CE3 C 13 120.188 0.300 . 1 . . . . 42 TRP CE3 . 11154 1 462 . 1 1 42 42 TRP CH2 C 13 124.762 0.300 . 1 . . . . 42 TRP CH2 . 11154 1 463 . 1 1 42 42 TRP CZ2 C 13 114.597 0.300 . 1 . . . . 42 TRP CZ2 . 11154 1 464 . 1 1 42 42 TRP CZ3 C 13 120.370 0.300 . 1 . . . . 42 TRP CZ3 . 11154 1 465 . 1 1 42 42 TRP N N 15 121.574 0.300 . 1 . . . . 42 TRP N . 11154 1 466 . 1 1 42 42 TRP NE1 N 15 129.526 0.300 . 1 . . . . 42 TRP NE1 . 11154 1 467 . 1 1 43 43 TYR H H 1 8.731 0.030 . 1 . . . . 43 TYR H . 11154 1 468 . 1 1 43 43 TYR HA H 1 4.969 0.030 . 1 . . . . 43 TYR HA . 11154 1 469 . 1 1 43 43 TYR HB2 H 1 1.862 0.030 . 2 . . . . 43 TYR HB2 . 11154 1 470 . 1 1 43 43 TYR HB3 H 1 2.563 0.030 . 2 . . . . 43 TYR HB3 . 11154 1 471 . 1 1 43 43 TYR HD1 H 1 6.944 0.030 . 1 . . . . 43 TYR HD1 . 11154 1 472 . 1 1 43 43 TYR HD2 H 1 6.944 0.030 . 1 . . . . 43 TYR HD2 . 11154 1 473 . 1 1 43 43 TYR HE1 H 1 6.684 0.030 . 1 . . . . 43 TYR HE1 . 11154 1 474 . 1 1 43 43 TYR HE2 H 1 6.684 0.030 . 1 . . . . 43 TYR HE2 . 11154 1 475 . 1 1 43 43 TYR C C 13 173.736 0.300 . 1 . . . . 43 TYR C . 11154 1 476 . 1 1 43 43 TYR CA C 13 56.326 0.300 . 1 . . . . 43 TYR CA . 11154 1 477 . 1 1 43 43 TYR CB C 13 43.382 0.300 . 1 . . . . 43 TYR CB . 11154 1 478 . 1 1 43 43 TYR CD1 C 13 132.338 0.300 . 1 . . . . 43 TYR CD1 . 11154 1 479 . 1 1 43 43 TYR CD2 C 13 132.338 0.300 . 1 . . . . 43 TYR CD2 . 11154 1 480 . 1 1 43 43 TYR CE1 C 13 118.339 0.300 . 1 . . . . 43 TYR CE1 . 11154 1 481 . 1 1 43 43 TYR CE2 C 13 118.339 0.300 . 1 . . . . 43 TYR CE2 . 11154 1 482 . 1 1 43 43 TYR N N 15 122.598 0.300 . 1 . . . . 43 TYR N . 11154 1 483 . 1 1 44 44 GLU H H 1 8.914 0.030 . 1 . . . . 44 GLU H . 11154 1 484 . 1 1 44 44 GLU HA H 1 5.003 0.030 . 1 . . . . 44 GLU HA . 11154 1 485 . 1 1 44 44 GLU HB2 H 1 1.663 0.030 . 2 . . . . 44 GLU HB2 . 11154 1 486 . 1 1 44 44 GLU HB3 H 1 2.122 0.030 . 2 . . . . 44 GLU HB3 . 11154 1 487 . 1 1 44 44 GLU HG2 H 1 2.205 0.030 . 1 . . . . 44 GLU HG2 . 11154 1 488 . 1 1 44 44 GLU HG3 H 1 2.205 0.030 . 1 . . . . 44 GLU HG3 . 11154 1 489 . 1 1 44 44 GLU C C 13 176.432 0.300 . 1 . . . . 44 GLU C . 11154 1 490 . 1 1 44 44 GLU CA C 13 54.915 0.300 . 1 . . . . 44 GLU CA . 11154 1 491 . 1 1 44 44 GLU CB C 13 32.679 0.300 . 1 . . . . 44 GLU CB . 11154 1 492 . 1 1 44 44 GLU CG C 13 36.777 0.300 . 1 . . . . 44 GLU CG . 11154 1 493 . 1 1 44 44 GLU N N 15 117.908 0.300 . 1 . . . . 44 GLU N . 11154 1 494 . 1 1 45 45 GLY H H 1 9.362 0.030 . 1 . . . . 45 GLY H . 11154 1 495 . 1 1 45 45 GLY HA2 H 1 4.005 0.030 . 2 . . . . 45 GLY HA2 . 11154 1 496 . 1 1 45 45 GLY HA3 H 1 5.130 0.030 . 2 . . . . 45 GLY HA3 . 11154 1 497 . 1 1 45 45 GLY C C 13 169.559 0.300 . 1 . . . . 45 GLY C . 11154 1 498 . 1 1 45 45 GLY CA C 13 45.851 0.300 . 1 . . . . 45 GLY CA . 11154 1 499 . 1 1 45 45 GLY N N 15 114.569 0.300 . 1 . . . . 45 GLY N . 11154 1 500 . 1 1 46 46 ARG H H 1 8.849 0.030 . 1 . . . . 46 ARG H . 11154 1 501 . 1 1 46 46 ARG HA H 1 5.450 0.030 . 1 . . . . 46 ARG HA . 11154 1 502 . 1 1 46 46 ARG HB2 H 1 1.744 0.030 . 2 . . . . 46 ARG HB2 . 11154 1 503 . 1 1 46 46 ARG HB3 H 1 2.053 0.030 . 2 . . . . 46 ARG HB3 . 11154 1 504 . 1 1 46 46 ARG HD2 H 1 3.260 0.030 . 1 . . . . 46 ARG HD2 . 11154 1 505 . 1 1 46 46 ARG HD3 H 1 3.260 0.030 . 1 . . . . 46 ARG HD3 . 11154 1 506 . 1 1 46 46 ARG HG2 H 1 1.469 0.030 . 1 . . . . 46 ARG HG2 . 11154 1 507 . 1 1 46 46 ARG HG3 H 1 1.469 0.030 . 1 . . . . 46 ARG HG3 . 11154 1 508 . 1 1 46 46 ARG C C 13 174.173 0.300 . 1 . . . . 46 ARG C . 11154 1 509 . 1 1 46 46 ARG CA C 13 54.432 0.300 . 1 . . . . 46 ARG CA . 11154 1 510 . 1 1 46 46 ARG CB C 13 34.588 0.300 . 1 . . . . 46 ARG CB . 11154 1 511 . 1 1 46 46 ARG CD C 13 43.543 0.300 . 1 . . . . 46 ARG CD . 11154 1 512 . 1 1 46 46 ARG CG C 13 26.473 0.300 . 1 . . . . 46 ARG CG . 11154 1 513 . 1 1 46 46 ARG N N 15 115.128 0.300 . 1 . . . . 46 ARG N . 11154 1 514 . 1 1 47 47 ILE H H 1 7.827 0.030 . 1 . . . . 47 ILE H . 11154 1 515 . 1 1 47 47 ILE HA H 1 4.999 0.030 . 1 . . . . 47 ILE HA . 11154 1 516 . 1 1 47 47 ILE HB H 1 2.167 0.030 . 1 . . . . 47 ILE HB . 11154 1 517 . 1 1 47 47 ILE HD11 H 1 0.697 0.030 . 1 . . . . 47 ILE HD1 . 11154 1 518 . 1 1 47 47 ILE HD12 H 1 0.697 0.030 . 1 . . . . 47 ILE HD1 . 11154 1 519 . 1 1 47 47 ILE HD13 H 1 0.697 0.030 . 1 . . . . 47 ILE HD1 . 11154 1 520 . 1 1 47 47 ILE HG12 H 1 1.295 0.030 . 2 . . . . 47 ILE HG12 . 11154 1 521 . 1 1 47 47 ILE HG13 H 1 1.599 0.030 . 2 . . . . 47 ILE HG13 . 11154 1 522 . 1 1 47 47 ILE HG21 H 1 1.069 0.030 . 1 . . . . 47 ILE HG2 . 11154 1 523 . 1 1 47 47 ILE HG22 H 1 1.069 0.030 . 1 . . . . 47 ILE HG2 . 11154 1 524 . 1 1 47 47 ILE HG23 H 1 1.069 0.030 . 1 . . . . 47 ILE HG2 . 11154 1 525 . 1 1 47 47 ILE C C 13 175.287 0.300 . 1 . . . . 47 ILE C . 11154 1 526 . 1 1 47 47 ILE CA C 13 57.030 0.300 . 1 . . . . 47 ILE CA . 11154 1 527 . 1 1 47 47 ILE CB C 13 36.130 0.300 . 1 . . . . 47 ILE CB . 11154 1 528 . 1 1 47 47 ILE CD1 C 13 11.535 0.300 . 1 . . . . 47 ILE CD1 . 11154 1 529 . 1 1 47 47 ILE CG1 C 13 26.398 0.300 . 1 . . . . 47 ILE CG1 . 11154 1 530 . 1 1 47 47 ILE CG2 C 13 16.133 0.300 . 1 . . . . 47 ILE CG2 . 11154 1 531 . 1 1 47 47 ILE N N 15 124.254 0.300 . 1 . . . . 47 ILE N . 11154 1 532 . 1 1 48 48 PRO HA H 1 4.336 0.030 . 1 . . . . 48 PRO HA . 11154 1 533 . 1 1 48 48 PRO HB2 H 1 2.328 0.030 . 2 . . . . 48 PRO HB2 . 11154 1 534 . 1 1 48 48 PRO HB3 H 1 1.967 0.030 . 2 . . . . 48 PRO HB3 . 11154 1 535 . 1 1 48 48 PRO HD2 H 1 4.005 0.030 . 2 . . . . 48 PRO HD2 . 11154 1 536 . 1 1 48 48 PRO HD3 H 1 4.111 0.030 . 2 . . . . 48 PRO HD3 . 11154 1 537 . 1 1 48 48 PRO HG2 H 1 2.023 0.030 . 2 . . . . 48 PRO HG2 . 11154 1 538 . 1 1 48 48 PRO HG3 H 1 1.965 0.030 . 2 . . . . 48 PRO HG3 . 11154 1 539 . 1 1 48 48 PRO CA C 13 63.966 0.300 . 1 . . . . 48 PRO CA . 11154 1 540 . 1 1 48 48 PRO CB C 13 32.216 0.300 . 1 . . . . 48 PRO CB . 11154 1 541 . 1 1 48 48 PRO CD C 13 52.149 0.300 . 1 . . . . 48 PRO CD . 11154 1 542 . 1 1 48 48 PRO CG C 13 27.470 0.300 . 1 . . . . 48 PRO CG . 11154 1 543 . 1 1 49 49 GLY HA2 H 1 3.801 0.030 . 2 . . . . 49 GLY HA2 . 11154 1 544 . 1 1 49 49 GLY HA3 H 1 4.234 0.030 . 2 . . . . 49 GLY HA3 . 11154 1 545 . 1 1 49 49 GLY C C 13 174.124 0.300 . 1 . . . . 49 GLY C . 11154 1 546 . 1 1 49 49 GLY CA C 13 45.326 0.300 . 1 . . . . 49 GLY CA . 11154 1 547 . 1 1 50 50 THR H H 1 7.813 0.030 . 1 . . . . 50 THR H . 11154 1 548 . 1 1 50 50 THR HA H 1 5.080 0.030 . 1 . . . . 50 THR HA . 11154 1 549 . 1 1 50 50 THR HB H 1 4.454 0.030 . 1 . . . . 50 THR HB . 11154 1 550 . 1 1 50 50 THR HG21 H 1 1.208 0.030 . 1 . . . . 50 THR HG2 . 11154 1 551 . 1 1 50 50 THR HG22 H 1 1.208 0.030 . 1 . . . . 50 THR HG2 . 11154 1 552 . 1 1 50 50 THR HG23 H 1 1.208 0.030 . 1 . . . . 50 THR HG2 . 11154 1 553 . 1 1 50 50 THR C C 13 174.382 0.300 . 1 . . . . 50 THR C . 11154 1 554 . 1 1 50 50 THR CA C 13 60.159 0.300 . 1 . . . . 50 THR CA . 11154 1 555 . 1 1 50 50 THR CB C 13 73.000 0.300 . 1 . . . . 50 THR CB . 11154 1 556 . 1 1 50 50 THR CG2 C 13 21.318 0.300 . 1 . . . . 50 THR CG2 . 11154 1 557 . 1 1 50 50 THR N N 15 109.430 0.300 . 1 . . . . 50 THR N . 11154 1 558 . 1 1 51 51 SER HA H 1 4.745 0.030 . 1 . . . . 51 SER HA . 11154 1 559 . 1 1 51 51 SER HB2 H 1 3.989 0.030 . 2 . . . . 51 SER HB2 . 11154 1 560 . 1 1 51 51 SER HB3 H 1 4.127 0.030 . 2 . . . . 51 SER HB3 . 11154 1 561 . 1 1 51 51 SER C C 13 174.926 0.300 . 1 . . . . 51 SER C . 11154 1 562 . 1 1 51 51 SER CA C 13 57.842 0.300 . 1 . . . . 51 SER CA . 11154 1 563 . 1 1 51 51 SER CB C 13 63.397 0.300 . 1 . . . . 51 SER CB . 11154 1 564 . 1 1 52 52 ARG H H 1 8.715 0.030 . 1 . . . . 52 ARG H . 11154 1 565 . 1 1 52 52 ARG HA H 1 4.306 0.030 . 1 . . . . 52 ARG HA . 11154 1 566 . 1 1 52 52 ARG HB2 H 1 1.960 0.030 . 2 . . . . 52 ARG HB2 . 11154 1 567 . 1 1 52 52 ARG HB3 H 1 1.833 0.030 . 2 . . . . 52 ARG HB3 . 11154 1 568 . 1 1 52 52 ARG HD2 H 1 3.493 0.030 . 2 . . . . 52 ARG HD2 . 11154 1 569 . 1 1 52 52 ARG HD3 H 1 3.068 0.030 . 2 . . . . 52 ARG HD3 . 11154 1 570 . 1 1 52 52 ARG HE H 1 7.786 0.030 . 1 . . . . 52 ARG HE . 11154 1 571 . 1 1 52 52 ARG HG2 H 1 1.805 0.030 . 2 . . . . 52 ARG HG2 . 11154 1 572 . 1 1 52 52 ARG HG3 H 1 1.748 0.030 . 2 . . . . 52 ARG HG3 . 11154 1 573 . 1 1 52 52 ARG C C 13 174.853 0.300 . 1 . . . . 52 ARG C . 11154 1 574 . 1 1 52 52 ARG CA C 13 57.033 0.300 . 1 . . . . 52 ARG CA . 11154 1 575 . 1 1 52 52 ARG CB C 13 30.788 0.300 . 1 . . . . 52 ARG CB . 11154 1 576 . 1 1 52 52 ARG CD C 13 44.950 0.300 . 1 . . . . 52 ARG CD . 11154 1 577 . 1 1 52 52 ARG CG C 13 25.782 0.300 . 1 . . . . 52 ARG CG . 11154 1 578 . 1 1 52 52 ARG N N 15 124.112 0.300 . 1 . . . . 52 ARG N . 11154 1 579 . 1 1 52 52 ARG NE N 15 83.698 0.300 . 1 . . . . 52 ARG NE . 11154 1 580 . 1 1 53 53 GLN H H 1 8.109 0.030 . 1 . . . . 53 GLN H . 11154 1 581 . 1 1 53 53 GLN HA H 1 5.455 0.030 . 1 . . . . 53 GLN HA . 11154 1 582 . 1 1 53 53 GLN HB2 H 1 1.876 0.030 . 2 . . . . 53 GLN HB2 . 11154 1 583 . 1 1 53 53 GLN HB3 H 1 2.260 0.030 . 2 . . . . 53 GLN HB3 . 11154 1 584 . 1 1 53 53 GLN HE21 H 1 6.715 0.030 . 2 . . . . 53 GLN HE21 . 11154 1 585 . 1 1 53 53 GLN HE22 H 1 7.554 0.030 . 2 . . . . 53 GLN HE22 . 11154 1 586 . 1 1 53 53 GLN HG2 H 1 2.489 0.030 . 2 . . . . 53 GLN HG2 . 11154 1 587 . 1 1 53 53 GLN HG3 H 1 2.420 0.030 . 2 . . . . 53 GLN HG3 . 11154 1 588 . 1 1 53 53 GLN C C 13 174.562 0.300 . 1 . . . . 53 GLN C . 11154 1 589 . 1 1 53 53 GLN CA C 13 55.742 0.300 . 1 . . . . 53 GLN CA . 11154 1 590 . 1 1 53 53 GLN CB C 13 31.151 0.300 . 1 . . . . 53 GLN CB . 11154 1 591 . 1 1 53 53 GLN CG C 13 32.874 0.300 . 1 . . . . 53 GLN CG . 11154 1 592 . 1 1 53 53 GLN N N 15 124.202 0.300 . 1 . . . . 53 GLN N . 11154 1 593 . 1 1 53 53 GLN NE2 N 15 112.333 0.300 . 1 . . . . 53 GLN NE2 . 11154 1 594 . 1 1 54 54 GLY H H 1 8.878 0.030 . 1 . . . . 54 GLY H . 11154 1 595 . 1 1 54 54 GLY HA2 H 1 4.455 0.030 . 2 . . . . 54 GLY HA2 . 11154 1 596 . 1 1 54 54 GLY HA3 H 1 4.576 0.030 . 2 . . . . 54 GLY HA3 . 11154 1 597 . 1 1 54 54 GLY C C 13 172.327 0.300 . 1 . . . . 54 GLY C . 11154 1 598 . 1 1 54 54 GLY CA C 13 45.393 0.300 . 1 . . . . 54 GLY CA . 11154 1 599 . 1 1 54 54 GLY N N 15 112.389 0.300 . 1 . . . . 54 GLY N . 11154 1 600 . 1 1 55 55 ILE H H 1 8.760 0.030 . 1 . . . . 55 ILE H . 11154 1 601 . 1 1 55 55 ILE HA H 1 6.127 0.030 . 1 . . . . 55 ILE HA . 11154 1 602 . 1 1 55 55 ILE HB H 1 1.967 0.030 . 1 . . . . 55 ILE HB . 11154 1 603 . 1 1 55 55 ILE HD11 H 1 0.170 0.030 . 1 . . . . 55 ILE HD1 . 11154 1 604 . 1 1 55 55 ILE HD12 H 1 0.170 0.030 . 1 . . . . 55 ILE HD1 . 11154 1 605 . 1 1 55 55 ILE HD13 H 1 0.170 0.030 . 1 . . . . 55 ILE HD1 . 11154 1 606 . 1 1 55 55 ILE HG12 H 1 1.402 0.030 . 2 . . . . 55 ILE HG12 . 11154 1 607 . 1 1 55 55 ILE HG13 H 1 0.959 0.030 . 2 . . . . 55 ILE HG13 . 11154 1 608 . 1 1 55 55 ILE HG21 H 1 0.854 0.030 . 1 . . . . 55 ILE HG2 . 11154 1 609 . 1 1 55 55 ILE HG22 H 1 0.854 0.030 . 1 . . . . 55 ILE HG2 . 11154 1 610 . 1 1 55 55 ILE HG23 H 1 0.854 0.030 . 1 . . . . 55 ILE HG2 . 11154 1 611 . 1 1 55 55 ILE C C 13 176.699 0.300 . 1 . . . . 55 ILE C . 11154 1 612 . 1 1 55 55 ILE CA C 13 60.161 0.300 . 1 . . . . 55 ILE CA . 11154 1 613 . 1 1 55 55 ILE CB C 13 41.273 0.300 . 1 . . . . 55 ILE CB . 11154 1 614 . 1 1 55 55 ILE CD1 C 13 12.955 0.300 . 1 . . . . 55 ILE CD1 . 11154 1 615 . 1 1 55 55 ILE CG1 C 13 26.188 0.300 . 1 . . . . 55 ILE CG1 . 11154 1 616 . 1 1 55 55 ILE CG2 C 13 17.417 0.300 . 1 . . . . 55 ILE CG2 . 11154 1 617 . 1 1 55 55 ILE N N 15 113.920 0.300 . 1 . . . . 55 ILE N . 11154 1 618 . 1 1 56 56 PHE H H 1 8.787 0.030 . 1 . . . . 56 PHE H . 11154 1 619 . 1 1 56 56 PHE HA H 1 5.002 0.030 . 1 . . . . 56 PHE HA . 11154 1 620 . 1 1 56 56 PHE HB2 H 1 3.550 0.030 . 2 . . . . 56 PHE HB2 . 11154 1 621 . 1 1 56 56 PHE HB3 H 1 2.470 0.030 . 2 . . . . 56 PHE HB3 . 11154 1 622 . 1 1 56 56 PHE HD1 H 1 7.121 0.030 . 1 . . . . 56 PHE HD1 . 11154 1 623 . 1 1 56 56 PHE HD2 H 1 7.121 0.030 . 1 . . . . 56 PHE HD2 . 11154 1 624 . 1 1 56 56 PHE HE1 H 1 6.858 0.030 . 1 . . . . 56 PHE HE1 . 11154 1 625 . 1 1 56 56 PHE HE2 H 1 6.858 0.030 . 1 . . . . 56 PHE HE2 . 11154 1 626 . 1 1 56 56 PHE HZ H 1 6.700 0.030 . 1 . . . . 56 PHE HZ . 11154 1 627 . 1 1 56 56 PHE C C 13 171.106 0.300 . 1 . . . . 56 PHE C . 11154 1 628 . 1 1 56 56 PHE CA C 13 55.786 0.300 . 1 . . . . 56 PHE CA . 11154 1 629 . 1 1 56 56 PHE CB C 13 38.922 0.300 . 1 . . . . 56 PHE CB . 11154 1 630 . 1 1 56 56 PHE CD1 C 13 133.668 0.300 . 1 . . . . 56 PHE CD1 . 11154 1 631 . 1 1 56 56 PHE CD2 C 13 133.668 0.300 . 1 . . . . 56 PHE CD2 . 11154 1 632 . 1 1 56 56 PHE CE1 C 13 130.124 0.300 . 1 . . . . 56 PHE CE1 . 11154 1 633 . 1 1 56 56 PHE CE2 C 13 130.124 0.300 . 1 . . . . 56 PHE CE2 . 11154 1 634 . 1 1 56 56 PHE CZ C 13 127.943 0.300 . 1 . . . . 56 PHE CZ . 11154 1 635 . 1 1 56 56 PHE N N 15 116.394 0.300 . 1 . . . . 56 PHE N . 11154 1 636 . 1 1 57 57 PRO HA H 1 4.122 0.030 . 1 . . . . 57 PRO HA . 11154 1 637 . 1 1 57 57 PRO HB2 H 1 1.496 0.030 . 1 . . . . 57 PRO HB2 . 11154 1 638 . 1 1 57 57 PRO HB3 H 1 1.496 0.030 . 1 . . . . 57 PRO HB3 . 11154 1 639 . 1 1 57 57 PRO HD2 H 1 1.971 0.030 . 2 . . . . 57 PRO HD2 . 11154 1 640 . 1 1 57 57 PRO HD3 H 1 2.309 0.030 . 2 . . . . 57 PRO HD3 . 11154 1 641 . 1 1 57 57 PRO HG2 H 1 0.960 0.030 . 2 . . . . 57 PRO HG2 . 11154 1 642 . 1 1 57 57 PRO HG3 H 1 0.489 0.030 . 2 . . . . 57 PRO HG3 . 11154 1 643 . 1 1 57 57 PRO C C 13 178.884 0.300 . 1 . . . . 57 PRO C . 11154 1 644 . 1 1 57 57 PRO CA C 13 61.231 0.300 . 1 . . . . 57 PRO CA . 11154 1 645 . 1 1 57 57 PRO CB C 13 31.088 0.300 . 1 . . . . 57 PRO CB . 11154 1 646 . 1 1 57 57 PRO CD C 13 50.140 0.300 . 1 . . . . 57 PRO CD . 11154 1 647 . 1 1 57 57 PRO CG C 13 27.242 0.300 . 1 . . . . 57 PRO CG . 11154 1 648 . 1 1 58 58 ILE H H 1 7.996 0.030 . 1 . . . . 58 ILE H . 11154 1 649 . 1 1 58 58 ILE HA H 1 3.804 0.030 . 1 . . . . 58 ILE HA . 11154 1 650 . 1 1 58 58 ILE HB H 1 1.475 0.030 . 1 . . . . 58 ILE HB . 11154 1 651 . 1 1 58 58 ILE HD11 H 1 0.356 0.030 . 1 . . . . 58 ILE HD1 . 11154 1 652 . 1 1 58 58 ILE HD12 H 1 0.356 0.030 . 1 . . . . 58 ILE HD1 . 11154 1 653 . 1 1 58 58 ILE HD13 H 1 0.356 0.030 . 1 . . . . 58 ILE HD1 . 11154 1 654 . 1 1 58 58 ILE HG12 H 1 1.046 0.030 . 2 . . . . 58 ILE HG12 . 11154 1 655 . 1 1 58 58 ILE HG13 H 1 0.447 0.030 . 2 . . . . 58 ILE HG13 . 11154 1 656 . 1 1 58 58 ILE HG21 H 1 0.747 0.030 . 1 . . . . 58 ILE HG2 . 11154 1 657 . 1 1 58 58 ILE HG22 H 1 0.747 0.030 . 1 . . . . 58 ILE HG2 . 11154 1 658 . 1 1 58 58 ILE HG23 H 1 0.747 0.030 . 1 . . . . 58 ILE HG2 . 11154 1 659 . 1 1 58 58 ILE C C 13 176.869 0.300 . 1 . . . . 58 ILE C . 11154 1 660 . 1 1 58 58 ILE CA C 13 62.780 0.300 . 1 . . . . 58 ILE CA . 11154 1 661 . 1 1 58 58 ILE CB C 13 39.077 0.300 . 1 . . . . 58 ILE CB . 11154 1 662 . 1 1 58 58 ILE CD1 C 13 13.367 0.300 . 1 . . . . 58 ILE CD1 . 11154 1 663 . 1 1 58 58 ILE CG1 C 13 28.199 0.300 . 1 . . . . 58 ILE CG1 . 11154 1 664 . 1 1 58 58 ILE CG2 C 13 17.364 0.300 . 1 . . . . 58 ILE CG2 . 11154 1 665 . 1 1 58 58 ILE N N 15 124.492 0.300 . 1 . . . . 58 ILE N . 11154 1 666 . 1 1 59 59 THR H H 1 7.540 0.030 . 1 . . . . 59 THR H . 11154 1 667 . 1 1 59 59 THR HA H 1 4.247 0.030 . 1 . . . . 59 THR HA . 11154 1 668 . 1 1 59 59 THR HB H 1 4.435 0.030 . 1 . . . . 59 THR HB . 11154 1 669 . 1 1 59 59 THR HG21 H 1 1.295 0.030 . 1 . . . . 59 THR HG2 . 11154 1 670 . 1 1 59 59 THR HG22 H 1 1.295 0.030 . 1 . . . . 59 THR HG2 . 11154 1 671 . 1 1 59 59 THR HG23 H 1 1.295 0.030 . 1 . . . . 59 THR HG2 . 11154 1 672 . 1 1 59 59 THR C C 13 175.849 0.300 . 1 . . . . 59 THR C . 11154 1 673 . 1 1 59 59 THR CA C 13 63.056 0.300 . 1 . . . . 59 THR CA . 11154 1 674 . 1 1 59 59 THR CB C 13 69.254 0.300 . 1 . . . . 59 THR CB . 11154 1 675 . 1 1 59 59 THR CG2 C 13 22.460 0.300 . 1 . . . . 59 THR CG2 . 11154 1 676 . 1 1 59 59 THR N N 15 107.442 0.300 . 1 . . . . 59 THR N . 11154 1 677 . 1 1 60 60 TYR H H 1 7.988 0.030 . 1 . . . . 60 TYR H . 11154 1 678 . 1 1 60 60 TYR HA H 1 4.705 0.030 . 1 . . . . 60 TYR HA . 11154 1 679 . 1 1 60 60 TYR HB2 H 1 3.364 0.030 . 2 . . . . 60 TYR HB2 . 11154 1 680 . 1 1 60 60 TYR HB3 H 1 3.667 0.030 . 2 . . . . 60 TYR HB3 . 11154 1 681 . 1 1 60 60 TYR HD1 H 1 7.203 0.030 . 1 . . . . 60 TYR HD1 . 11154 1 682 . 1 1 60 60 TYR HD2 H 1 7.203 0.030 . 1 . . . . 60 TYR HD2 . 11154 1 683 . 1 1 60 60 TYR HE1 H 1 6.973 0.030 . 1 . . . . 60 TYR HE1 . 11154 1 684 . 1 1 60 60 TYR HE2 H 1 6.973 0.030 . 1 . . . . 60 TYR HE2 . 11154 1 685 . 1 1 60 60 TYR C C 13 175.557 0.300 . 1 . . . . 60 TYR C . 11154 1 686 . 1 1 60 60 TYR CA C 13 59.430 0.300 . 1 . . . . 60 TYR CA . 11154 1 687 . 1 1 60 60 TYR CB C 13 38.467 0.300 . 1 . . . . 60 TYR CB . 11154 1 688 . 1 1 60 60 TYR CD1 C 13 132.509 0.300 . 1 . . . . 60 TYR CD1 . 11154 1 689 . 1 1 60 60 TYR CD2 C 13 132.509 0.300 . 1 . . . . 60 TYR CD2 . 11154 1 690 . 1 1 60 60 TYR CE1 C 13 118.316 0.300 . 1 . . . . 60 TYR CE1 . 11154 1 691 . 1 1 60 60 TYR CE2 C 13 118.316 0.300 . 1 . . . . 60 TYR CE2 . 11154 1 692 . 1 1 60 60 TYR N N 15 119.233 0.300 . 1 . . . . 60 TYR N . 11154 1 693 . 1 1 61 61 VAL H H 1 7.718 0.030 . 1 . . . . 61 VAL H . 11154 1 694 . 1 1 61 61 VAL HA H 1 5.051 0.030 . 1 . . . . 61 VAL HA . 11154 1 695 . 1 1 61 61 VAL HB H 1 1.753 0.030 . 1 . . . . 61 VAL HB . 11154 1 696 . 1 1 61 61 VAL HG11 H 1 0.475 0.030 . 1 . . . . 61 VAL HG1 . 11154 1 697 . 1 1 61 61 VAL HG12 H 1 0.475 0.030 . 1 . . . . 61 VAL HG1 . 11154 1 698 . 1 1 61 61 VAL HG13 H 1 0.475 0.030 . 1 . . . . 61 VAL HG1 . 11154 1 699 . 1 1 61 61 VAL HG21 H 1 0.908 0.030 . 1 . . . . 61 VAL HG2 . 11154 1 700 . 1 1 61 61 VAL HG22 H 1 0.908 0.030 . 1 . . . . 61 VAL HG2 . 11154 1 701 . 1 1 61 61 VAL HG23 H 1 0.908 0.030 . 1 . . . . 61 VAL HG2 . 11154 1 702 . 1 1 61 61 VAL C C 13 173.104 0.300 . 1 . . . . 61 VAL C . 11154 1 703 . 1 1 61 61 VAL CA C 13 58.549 0.300 . 1 . . . . 61 VAL CA . 11154 1 704 . 1 1 61 61 VAL CB C 13 35.375 0.300 . 1 . . . . 61 VAL CB . 11154 1 705 . 1 1 61 61 VAL CG1 C 13 22.649 0.300 . 2 . . . . 61 VAL CG1 . 11154 1 706 . 1 1 61 61 VAL CG2 C 13 19.036 0.300 . 2 . . . . 61 VAL CG2 . 11154 1 707 . 1 1 61 61 VAL N N 15 109.634 0.300 . 1 . . . . 61 VAL N . 11154 1 708 . 1 1 62 62 ASP H H 1 8.561 0.030 . 1 . . . . 62 ASP H . 11154 1 709 . 1 1 62 62 ASP HA H 1 5.035 0.030 . 1 . . . . 62 ASP HA . 11154 1 710 . 1 1 62 62 ASP HB2 H 1 2.328 0.030 . 2 . . . . 62 ASP HB2 . 11154 1 711 . 1 1 62 62 ASP HB3 H 1 2.554 0.030 . 2 . . . . 62 ASP HB3 . 11154 1 712 . 1 1 62 62 ASP C C 13 175.824 0.300 . 1 . . . . 62 ASP C . 11154 1 713 . 1 1 62 62 ASP CA C 13 53.016 0.300 . 1 . . . . 62 ASP CA . 11154 1 714 . 1 1 62 62 ASP CB C 13 42.764 0.300 . 1 . . . . 62 ASP CB . 11154 1 715 . 1 1 62 62 ASP N N 15 119.563 0.300 . 1 . . . . 62 ASP N . 11154 1 716 . 1 1 63 63 VAL H H 1 8.961 0.030 . 1 . . . . 63 VAL H . 11154 1 717 . 1 1 63 63 VAL HA H 1 3.864 0.030 . 1 . . . . 63 VAL HA . 11154 1 718 . 1 1 63 63 VAL HB H 1 2.004 0.030 . 1 . . . . 63 VAL HB . 11154 1 719 . 1 1 63 63 VAL HG11 H 1 0.919 0.030 . 1 . . . . 63 VAL HG1 . 11154 1 720 . 1 1 63 63 VAL HG12 H 1 0.919 0.030 . 1 . . . . 63 VAL HG1 . 11154 1 721 . 1 1 63 63 VAL HG13 H 1 0.919 0.030 . 1 . . . . 63 VAL HG1 . 11154 1 722 . 1 1 63 63 VAL HG21 H 1 0.845 0.030 . 1 . . . . 63 VAL HG2 . 11154 1 723 . 1 1 63 63 VAL HG22 H 1 0.845 0.030 . 1 . . . . 63 VAL HG2 . 11154 1 724 . 1 1 63 63 VAL HG23 H 1 0.845 0.030 . 1 . . . . 63 VAL HG2 . 11154 1 725 . 1 1 63 63 VAL C C 13 176.480 0.300 . 1 . . . . 63 VAL C . 11154 1 726 . 1 1 63 63 VAL CA C 13 64.203 0.300 . 1 . . . . 63 VAL CA . 11154 1 727 . 1 1 63 63 VAL CB C 13 31.831 0.300 . 1 . . . . 63 VAL CB . 11154 1 728 . 1 1 63 63 VAL CG1 C 13 22.157 0.300 . 2 . . . . 63 VAL CG1 . 11154 1 729 . 1 1 63 63 VAL CG2 C 13 21.215 0.300 . 2 . . . . 63 VAL CG2 . 11154 1 730 . 1 1 63 63 VAL N N 15 125.156 0.300 . 1 . . . . 63 VAL N . 11154 1 731 . 1 1 64 64 ILE H H 1 8.725 0.030 . 1 . . . . 64 ILE H . 11154 1 732 . 1 1 64 64 ILE HA H 1 4.224 0.030 . 1 . . . . 64 ILE HA . 11154 1 733 . 1 1 64 64 ILE HB H 1 1.831 0.030 . 1 . . . . 64 ILE HB . 11154 1 734 . 1 1 64 64 ILE HD11 H 1 0.722 0.030 . 1 . . . . 64 ILE HD1 . 11154 1 735 . 1 1 64 64 ILE HD12 H 1 0.722 0.030 . 1 . . . . 64 ILE HD1 . 11154 1 736 . 1 1 64 64 ILE HD13 H 1 0.722 0.030 . 1 . . . . 64 ILE HD1 . 11154 1 737 . 1 1 64 64 ILE HG12 H 1 1.356 0.030 . 2 . . . . 64 ILE HG12 . 11154 1 738 . 1 1 64 64 ILE HG13 H 1 1.024 0.030 . 2 . . . . 64 ILE HG13 . 11154 1 739 . 1 1 64 64 ILE HG21 H 1 0.866 0.030 . 1 . . . . 64 ILE HG2 . 11154 1 740 . 1 1 64 64 ILE HG22 H 1 0.866 0.030 . 1 . . . . 64 ILE HG2 . 11154 1 741 . 1 1 64 64 ILE HG23 H 1 0.866 0.030 . 1 . . . . 64 ILE HG2 . 11154 1 742 . 1 1 64 64 ILE C C 13 176.310 0.300 . 1 . . . . 64 ILE C . 11154 1 743 . 1 1 64 64 ILE CA C 13 61.560 0.300 . 1 . . . . 64 ILE CA . 11154 1 744 . 1 1 64 64 ILE CB C 13 38.590 0.300 . 1 . . . . 64 ILE CB . 11154 1 745 . 1 1 64 64 ILE CD1 C 13 12.639 0.300 . 1 . . . . 64 ILE CD1 . 11154 1 746 . 1 1 64 64 ILE CG1 C 13 27.297 0.300 . 1 . . . . 64 ILE CG1 . 11154 1 747 . 1 1 64 64 ILE CG2 C 13 17.570 0.300 . 1 . . . . 64 ILE CG2 . 11154 1 748 . 1 1 64 64 ILE N N 15 127.724 0.300 . 1 . . . . 64 ILE N . 11154 1 749 . 1 1 65 65 SER H H 1 8.198 0.030 . 1 . . . . 65 SER H . 11154 1 750 . 1 1 65 65 SER HA H 1 4.592 0.030 . 1 . . . . 65 SER HA . 11154 1 751 . 1 1 65 65 SER HB2 H 1 3.883 0.030 . 1 . . . . 65 SER HB2 . 11154 1 752 . 1 1 65 65 SER HB3 H 1 3.883 0.030 . 1 . . . . 65 SER HB3 . 11154 1 753 . 1 1 65 65 SER C C 13 173.967 0.300 . 1 . . . . 65 SER C . 11154 1 754 . 1 1 65 65 SER CA C 13 57.948 0.300 . 1 . . . . 65 SER CA . 11154 1 755 . 1 1 65 65 SER CB C 13 64.390 0.300 . 1 . . . . 65 SER CB . 11154 1 756 . 1 1 65 65 SER N N 15 117.786 0.300 . 1 . . . . 65 SER N . 11154 1 757 . 1 1 66 66 GLY H H 1 8.407 0.030 . 1 . . . . 66 GLY H . 11154 1 758 . 1 1 66 66 GLY HA2 H 1 4.221 0.030 . 2 . . . . 66 GLY HA2 . 11154 1 759 . 1 1 66 66 GLY HA3 H 1 4.040 0.030 . 2 . . . . 66 GLY HA3 . 11154 1 760 . 1 1 66 66 GLY C C 13 171.766 0.300 . 1 . . . . 66 GLY C . 11154 1 761 . 1 1 66 66 GLY CA C 13 44.546 0.300 . 1 . . . . 66 GLY CA . 11154 1 762 . 1 1 66 66 GLY N N 15 110.257 0.300 . 1 . . . . 66 GLY N . 11154 1 763 . 1 1 67 67 PRO HA H 1 4.434 0.030 . 1 . . . . 67 PRO HA . 11154 1 764 . 1 1 67 67 PRO HB2 H 1 2.241 0.030 . 2 . . . . 67 PRO HB2 . 11154 1 765 . 1 1 67 67 PRO HB3 H 1 1.995 0.030 . 2 . . . . 67 PRO HB3 . 11154 1 766 . 1 1 67 67 PRO HD2 H 1 3.553 0.030 . 2 . . . . 67 PRO HD2 . 11154 1 767 . 1 1 67 67 PRO HD3 H 1 3.668 0.030 . 2 . . . . 67 PRO HD3 . 11154 1 768 . 1 1 67 67 PRO HG2 H 1 2.050 0.030 . 2 . . . . 67 PRO HG2 . 11154 1 769 . 1 1 67 67 PRO HG3 H 1 1.946 0.030 . 2 . . . . 67 PRO HG3 . 11154 1 770 . 1 1 67 67 PRO CA C 13 63.261 0.300 . 1 . . . . 67 PRO CA . 11154 1 771 . 1 1 67 67 PRO CB C 13 32.187 0.300 . 1 . . . . 67 PRO CB . 11154 1 772 . 1 1 67 67 PRO CD C 13 49.641 0.300 . 1 . . . . 67 PRO CD . 11154 1 773 . 1 1 67 67 PRO CG C 13 27.237 0.300 . 1 . . . . 67 PRO CG . 11154 1 stop_ save_