data_11229 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11229 _Entry.Title ; Solution structure of the Ig-like domain (714-804) from human Obscurin-like protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 X. Qin . . . 11229 2 T. Suetake . . . 11229 3 F. Hayashi . . . 11229 4 S. Yokoyama . . . 11229 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)' . 11229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 11229 '15N chemical shifts' 97 11229 '1H chemical shifts' 687 11229 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 . . 2011-08-03 2010-07-23 original author . 11229 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E6P 'BMRB Entry Tracking System' 11229 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11229 _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 Ig-like domain (714-804) from human Obscurin-like 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 X. Qin . . . 11229 1 2 T. Suetake . . . 11229 1 3 F. Hayashi . . . 11229 1 4 S. Yokoyama . . . 11229 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11229 _Assembly.ID 1 _Assembly.Name 'Obscurin-like 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 'Ig-like domain' 1 $entity_1 A . yes native no no . . . 11229 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 2e6p . . . . . . 11229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11229 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ig-like 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 ; GSSGSSGPVHILSPQDKVSL TFTTSERVVLTCELSRVDFP ATWYKDGQKVEESELLVVKM DGRKHRLILPEAKVQDSGEF ECRTEGVSAFFGVTVQDPSG PSSG ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2E6P . "Solution Structure Of The Ig-Like Domain (714-804) From Human Obscurin-Like Protein 1" . . . . . 100.00 104 100.00 100.00 7.61e-68 . . . . 11229 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ig-like domain' . 11229 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 . 11229 1 2 . SER . 11229 1 3 . SER . 11229 1 4 . GLY . 11229 1 5 . SER . 11229 1 6 . SER . 11229 1 7 . GLY . 11229 1 8 . PRO . 11229 1 9 . VAL . 11229 1 10 . HIS . 11229 1 11 . ILE . 11229 1 12 . LEU . 11229 1 13 . SER . 11229 1 14 . PRO . 11229 1 15 . GLN . 11229 1 16 . ASP . 11229 1 17 . LYS . 11229 1 18 . VAL . 11229 1 19 . SER . 11229 1 20 . LEU . 11229 1 21 . THR . 11229 1 22 . PHE . 11229 1 23 . THR . 11229 1 24 . THR . 11229 1 25 . SER . 11229 1 26 . GLU . 11229 1 27 . ARG . 11229 1 28 . VAL . 11229 1 29 . VAL . 11229 1 30 . LEU . 11229 1 31 . THR . 11229 1 32 . CYS . 11229 1 33 . GLU . 11229 1 34 . LEU . 11229 1 35 . SER . 11229 1 36 . ARG . 11229 1 37 . VAL . 11229 1 38 . ASP . 11229 1 39 . PHE . 11229 1 40 . PRO . 11229 1 41 . ALA . 11229 1 42 . THR . 11229 1 43 . TRP . 11229 1 44 . TYR . 11229 1 45 . LYS . 11229 1 46 . ASP . 11229 1 47 . GLY . 11229 1 48 . GLN . 11229 1 49 . LYS . 11229 1 50 . VAL . 11229 1 51 . GLU . 11229 1 52 . GLU . 11229 1 53 . SER . 11229 1 54 . GLU . 11229 1 55 . LEU . 11229 1 56 . LEU . 11229 1 57 . VAL . 11229 1 58 . VAL . 11229 1 59 . LYS . 11229 1 60 . MET . 11229 1 61 . ASP . 11229 1 62 . GLY . 11229 1 63 . ARG . 11229 1 64 . LYS . 11229 1 65 . HIS . 11229 1 66 . ARG . 11229 1 67 . LEU . 11229 1 68 . ILE . 11229 1 69 . LEU . 11229 1 70 . PRO . 11229 1 71 . GLU . 11229 1 72 . ALA . 11229 1 73 . LYS . 11229 1 74 . VAL . 11229 1 75 . GLN . 11229 1 76 . ASP . 11229 1 77 . SER . 11229 1 78 . GLY . 11229 1 79 . GLU . 11229 1 80 . PHE . 11229 1 81 . GLU . 11229 1 82 . CYS . 11229 1 83 . ARG . 11229 1 84 . THR . 11229 1 85 . GLU . 11229 1 86 . GLY . 11229 1 87 . VAL . 11229 1 88 . SER . 11229 1 89 . ALA . 11229 1 90 . PHE . 11229 1 91 . PHE . 11229 1 92 . GLY . 11229 1 93 . VAL . 11229 1 94 . THR . 11229 1 95 . VAL . 11229 1 96 . GLN . 11229 1 97 . ASP . 11229 1 98 . PRO . 11229 1 99 . SER . 11229 1 100 . GLY . 11229 1 101 . PRO . 11229 1 102 . SER . 11229 1 103 . SER . 11229 1 104 . GLY . 11229 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 11229 1 . SER 2 2 11229 1 . SER 3 3 11229 1 . GLY 4 4 11229 1 . SER 5 5 11229 1 . SER 6 6 11229 1 . GLY 7 7 11229 1 . PRO 8 8 11229 1 . VAL 9 9 11229 1 . HIS 10 10 11229 1 . ILE 11 11 11229 1 . LEU 12 12 11229 1 . SER 13 13 11229 1 . PRO 14 14 11229 1 . GLN 15 15 11229 1 . ASP 16 16 11229 1 . LYS 17 17 11229 1 . VAL 18 18 11229 1 . SER 19 19 11229 1 . LEU 20 20 11229 1 . THR 21 21 11229 1 . PHE 22 22 11229 1 . THR 23 23 11229 1 . THR 24 24 11229 1 . SER 25 25 11229 1 . GLU 26 26 11229 1 . ARG 27 27 11229 1 . VAL 28 28 11229 1 . VAL 29 29 11229 1 . LEU 30 30 11229 1 . THR 31 31 11229 1 . CYS 32 32 11229 1 . GLU 33 33 11229 1 . LEU 34 34 11229 1 . SER 35 35 11229 1 . ARG 36 36 11229 1 . VAL 37 37 11229 1 . ASP 38 38 11229 1 . PHE 39 39 11229 1 . PRO 40 40 11229 1 . ALA 41 41 11229 1 . THR 42 42 11229 1 . TRP 43 43 11229 1 . TYR 44 44 11229 1 . LYS 45 45 11229 1 . ASP 46 46 11229 1 . GLY 47 47 11229 1 . GLN 48 48 11229 1 . LYS 49 49 11229 1 . VAL 50 50 11229 1 . GLU 51 51 11229 1 . GLU 52 52 11229 1 . SER 53 53 11229 1 . GLU 54 54 11229 1 . LEU 55 55 11229 1 . LEU 56 56 11229 1 . VAL 57 57 11229 1 . VAL 58 58 11229 1 . LYS 59 59 11229 1 . MET 60 60 11229 1 . ASP 61 61 11229 1 . GLY 62 62 11229 1 . ARG 63 63 11229 1 . LYS 64 64 11229 1 . HIS 65 65 11229 1 . ARG 66 66 11229 1 . LEU 67 67 11229 1 . ILE 68 68 11229 1 . LEU 69 69 11229 1 . PRO 70 70 11229 1 . GLU 71 71 11229 1 . ALA 72 72 11229 1 . LYS 73 73 11229 1 . VAL 74 74 11229 1 . GLN 75 75 11229 1 . ASP 76 76 11229 1 . SER 77 77 11229 1 . GLY 78 78 11229 1 . GLU 79 79 11229 1 . PHE 80 80 11229 1 . GLU 81 81 11229 1 . CYS 82 82 11229 1 . ARG 83 83 11229 1 . THR 84 84 11229 1 . GLU 85 85 11229 1 . GLY 86 86 11229 1 . VAL 87 87 11229 1 . SER 88 88 11229 1 . ALA 89 89 11229 1 . PHE 90 90 11229 1 . PHE 91 91 11229 1 . GLY 92 92 11229 1 . VAL 93 93 11229 1 . THR 94 94 11229 1 . VAL 95 95 11229 1 . GLN 96 96 11229 1 . ASP 97 97 11229 1 . PRO 98 98 11229 1 . SER 99 99 11229 1 . GLY 100 100 11229 1 . PRO 101 101 11229 1 . SER 102 102 11229 1 . SER 103 103 11229 1 . GLY 104 104 11229 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 11229 _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 . . . . . . . . . . . . . . . . . . . . . 11229 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 11229 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050919-02 . . . . . . 11229 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11229 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.17mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ig-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 11229 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11229 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11229 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11229 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11229 1 6 H2O . . . . . . solvent 90 . . % . . . . 11229 1 7 D2O . . . . . . solvent 10 . . % . . . . 11229 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 11229 _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 11229 1 pH 7.0 0.05 pH 11229 1 pressure 1 0.001 atm 11229 1 temperature 298 0.1 K 11229 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11229 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11229 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11229 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11229 _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.' . . 11229 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11229 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11229 _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.' . . 11229 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11229 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11229 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11229 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11229 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11229 _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.' . . 11229 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11229 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 11229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11229 _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 Varian INOVA . 800 . . . 11229 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 11229 _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 . . . . . . . . . . . . . . . . 11229 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11229 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 11229 _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 . . . . . . . . . 11229 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11229 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11229 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 11229 _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 11229 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11229 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 $VNMR . . 11229 1 2 $NMRPipe . . 11229 1 3 $NMRView . . 11229 1 4 $Kujira . . 11229 1 5 $CYANA . . 11229 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 4.568 0.030 . 1 . . . . 6 SER HA . 11229 1 2 . 1 1 6 6 SER HB2 H 1 3.914 0.030 . 1 . . . . 6 SER HB2 . 11229 1 3 . 1 1 6 6 SER HB3 H 1 3.914 0.030 . 1 . . . . 6 SER HB3 . 11229 1 4 . 1 1 6 6 SER C C 13 174.485 0.300 . 1 . . . . 6 SER C . 11229 1 5 . 1 1 6 6 SER CA C 13 58.362 0.300 . 1 . . . . 6 SER CA . 11229 1 6 . 1 1 6 6 SER CB C 13 63.990 0.300 . 1 . . . . 6 SER CB . 11229 1 7 . 1 1 7 7 GLY H H 1 8.232 0.030 . 1 . . . . 7 GLY H . 11229 1 8 . 1 1 7 7 GLY HA2 H 1 4.162 0.030 . 1 . . . . 7 GLY HA2 . 11229 1 9 . 1 1 7 7 GLY HA3 H 1 4.162 0.030 . 1 . . . . 7 GLY HA3 . 11229 1 10 . 1 1 7 7 GLY C C 13 171.874 0.300 . 1 . . . . 7 GLY C . 11229 1 11 . 1 1 7 7 GLY CA C 13 44.582 0.300 . 1 . . . . 7 GLY CA . 11229 1 12 . 1 1 7 7 GLY N N 15 110.470 0.300 . 1 . . . . 7 GLY N . 11229 1 13 . 1 1 8 8 PRO HA H 1 4.390 0.030 . 1 . . . . 8 PRO HA . 11229 1 14 . 1 1 8 8 PRO HB2 H 1 1.798 0.030 . 2 . . . . 8 PRO HB2 . 11229 1 15 . 1 1 8 8 PRO HB3 H 1 2.273 0.030 . 2 . . . . 8 PRO HB3 . 11229 1 16 . 1 1 8 8 PRO HD2 H 1 3.674 0.030 . 2 . . . . 8 PRO HD2 . 11229 1 17 . 1 1 8 8 PRO HD3 H 1 3.597 0.030 . 2 . . . . 8 PRO HD3 . 11229 1 18 . 1 1 8 8 PRO HG2 H 1 1.918 0.030 . 2 . . . . 8 PRO HG2 . 11229 1 19 . 1 1 8 8 PRO HG3 H 1 2.078 0.030 . 2 . . . . 8 PRO HG3 . 11229 1 20 . 1 1 8 8 PRO C C 13 176.095 0.300 . 1 . . . . 8 PRO C . 11229 1 21 . 1 1 8 8 PRO CA C 13 63.238 0.300 . 1 . . . . 8 PRO CA . 11229 1 22 . 1 1 8 8 PRO CB C 13 32.392 0.300 . 1 . . . . 8 PRO CB . 11229 1 23 . 1 1 8 8 PRO CD C 13 49.685 0.300 . 1 . . . . 8 PRO CD . 11229 1 24 . 1 1 8 8 PRO CG C 13 27.068 0.300 . 1 . . . . 8 PRO CG . 11229 1 25 . 1 1 9 9 VAL H H 1 7.877 0.030 . 1 . . . . 9 VAL H . 11229 1 26 . 1 1 9 9 VAL HA H 1 3.728 0.030 . 1 . . . . 9 VAL HA . 11229 1 27 . 1 1 9 9 VAL HB H 1 1.108 0.030 . 1 . . . . 9 VAL HB . 11229 1 28 . 1 1 9 9 VAL HG11 H 1 0.595 0.030 . 1 . . . . 9 VAL HG1 . 11229 1 29 . 1 1 9 9 VAL HG12 H 1 0.595 0.030 . 1 . . . . 9 VAL HG1 . 11229 1 30 . 1 1 9 9 VAL HG13 H 1 0.595 0.030 . 1 . . . . 9 VAL HG1 . 11229 1 31 . 1 1 9 9 VAL HG21 H 1 0.500 0.030 . 1 . . . . 9 VAL HG2 . 11229 1 32 . 1 1 9 9 VAL HG22 H 1 0.500 0.030 . 1 . . . . 9 VAL HG2 . 11229 1 33 . 1 1 9 9 VAL HG23 H 1 0.500 0.030 . 1 . . . . 9 VAL HG2 . 11229 1 34 . 1 1 9 9 VAL C C 13 171.896 0.300 . 1 . . . . 9 VAL C . 11229 1 35 . 1 1 9 9 VAL CA C 13 61.088 0.300 . 1 . . . . 9 VAL CA . 11229 1 36 . 1 1 9 9 VAL CB C 13 33.476 0.300 . 1 . . . . 9 VAL CB . 11229 1 37 . 1 1 9 9 VAL CG1 C 13 20.338 0.300 . 2 . . . . 9 VAL CG1 . 11229 1 38 . 1 1 9 9 VAL CG2 C 13 22.679 0.300 . 2 . . . . 9 VAL CG2 . 11229 1 39 . 1 1 9 9 VAL N N 15 119.803 0.300 . 1 . . . . 9 VAL N . 11229 1 40 . 1 1 10 10 HIS H H 1 8.202 0.030 . 1 . . . . 10 HIS H . 11229 1 41 . 1 1 10 10 HIS HA H 1 4.830 0.030 . 1 . . . . 10 HIS HA . 11229 1 42 . 1 1 10 10 HIS HB2 H 1 2.912 0.030 . 2 . . . . 10 HIS HB2 . 11229 1 43 . 1 1 10 10 HIS HB3 H 1 3.030 0.030 . 2 . . . . 10 HIS HB3 . 11229 1 44 . 1 1 10 10 HIS HD2 H 1 6.816 0.030 . 1 . . . . 10 HIS HD2 . 11229 1 45 . 1 1 10 10 HIS HE1 H 1 7.801 0.030 . 1 . . . . 10 HIS HE1 . 11229 1 46 . 1 1 10 10 HIS C C 13 173.412 0.300 . 1 . . . . 10 HIS C . 11229 1 47 . 1 1 10 10 HIS CA C 13 54.222 0.300 . 1 . . . . 10 HIS CA . 11229 1 48 . 1 1 10 10 HIS CB C 13 32.560 0.300 . 1 . . . . 10 HIS CB . 11229 1 49 . 1 1 10 10 HIS CD2 C 13 121.120 0.300 . 1 . . . . 10 HIS CD2 . 11229 1 50 . 1 1 10 10 HIS CE1 C 13 137.985 0.300 . 1 . . . . 10 HIS CE1 . 11229 1 51 . 1 1 10 10 HIS N N 15 122.158 0.300 . 1 . . . . 10 HIS N . 11229 1 52 . 1 1 11 11 ILE H H 1 8.776 0.030 . 1 . . . . 11 ILE H . 11229 1 53 . 1 1 11 11 ILE HA H 1 4.084 0.030 . 1 . . . . 11 ILE HA . 11229 1 54 . 1 1 11 11 ILE HB H 1 1.739 0.030 . 1 . . . . 11 ILE HB . 11229 1 55 . 1 1 11 11 ILE HD11 H 1 0.489 0.030 . 1 . . . . 11 ILE HD1 . 11229 1 56 . 1 1 11 11 ILE HD12 H 1 0.489 0.030 . 1 . . . . 11 ILE HD1 . 11229 1 57 . 1 1 11 11 ILE HD13 H 1 0.489 0.030 . 1 . . . . 11 ILE HD1 . 11229 1 58 . 1 1 11 11 ILE HG12 H 1 1.283 0.030 . 2 . . . . 11 ILE HG12 . 11229 1 59 . 1 1 11 11 ILE HG13 H 1 0.826 0.030 . 2 . . . . 11 ILE HG13 . 11229 1 60 . 1 1 11 11 ILE HG21 H 1 0.704 0.030 . 1 . . . . 11 ILE HG2 . 11229 1 61 . 1 1 11 11 ILE HG22 H 1 0.704 0.030 . 1 . . . . 11 ILE HG2 . 11229 1 62 . 1 1 11 11 ILE HG23 H 1 0.704 0.030 . 1 . . . . 11 ILE HG2 . 11229 1 63 . 1 1 11 11 ILE C C 13 176.218 0.300 . 1 . . . . 11 ILE C . 11229 1 64 . 1 1 11 11 ILE CA C 13 61.252 0.300 . 1 . . . . 11 ILE CA . 11229 1 65 . 1 1 11 11 ILE CB C 13 38.016 0.300 . 1 . . . . 11 ILE CB . 11229 1 66 . 1 1 11 11 ILE CD1 C 13 13.227 0.300 . 1 . . . . 11 ILE CD1 . 11229 1 67 . 1 1 11 11 ILE CG1 C 13 27.677 0.300 . 1 . . . . 11 ILE CG1 . 11229 1 68 . 1 1 11 11 ILE CG2 C 13 18.678 0.300 . 1 . . . . 11 ILE CG2 . 11229 1 69 . 1 1 11 11 ILE N N 15 121.176 0.300 . 1 . . . . 11 ILE N . 11229 1 70 . 1 1 12 12 LEU H H 1 9.114 0.030 . 1 . . . . 12 LEU H . 11229 1 71 . 1 1 12 12 LEU HA H 1 4.302 0.030 . 1 . . . . 12 LEU HA . 11229 1 72 . 1 1 12 12 LEU HB2 H 1 1.453 0.030 . 2 . . . . 12 LEU HB2 . 11229 1 73 . 1 1 12 12 LEU HB3 H 1 1.403 0.030 . 2 . . . . 12 LEU HB3 . 11229 1 74 . 1 1 12 12 LEU HD11 H 1 0.724 0.030 . 1 . . . . 12 LEU HD1 . 11229 1 75 . 1 1 12 12 LEU HD12 H 1 0.724 0.030 . 1 . . . . 12 LEU HD1 . 11229 1 76 . 1 1 12 12 LEU HD13 H 1 0.724 0.030 . 1 . . . . 12 LEU HD1 . 11229 1 77 . 1 1 12 12 LEU HD21 H 1 0.743 0.030 . 1 . . . . 12 LEU HD2 . 11229 1 78 . 1 1 12 12 LEU HD22 H 1 0.743 0.030 . 1 . . . . 12 LEU HD2 . 11229 1 79 . 1 1 12 12 LEU HD23 H 1 0.743 0.030 . 1 . . . . 12 LEU HD2 . 11229 1 80 . 1 1 12 12 LEU HG H 1 1.263 0.030 . 1 . . . . 12 LEU HG . 11229 1 81 . 1 1 12 12 LEU C C 13 177.918 0.300 . 1 . . . . 12 LEU C . 11229 1 82 . 1 1 12 12 LEU CA C 13 56.165 0.300 . 1 . . . . 12 LEU CA . 11229 1 83 . 1 1 12 12 LEU CB C 13 41.857 0.300 . 1 . . . . 12 LEU CB . 11229 1 84 . 1 1 12 12 LEU CD1 C 13 25.538 0.300 . 2 . . . . 12 LEU CD1 . 11229 1 85 . 1 1 12 12 LEU CD2 C 13 22.630 0.300 . 2 . . . . 12 LEU CD2 . 11229 1 86 . 1 1 12 12 LEU CG C 13 27.326 0.300 . 1 . . . . 12 LEU CG . 11229 1 87 . 1 1 12 12 LEU N N 15 128.129 0.300 . 1 . . . . 12 LEU N . 11229 1 88 . 1 1 13 13 SER H H 1 7.609 0.030 . 1 . . . . 13 SER H . 11229 1 89 . 1 1 13 13 SER HA H 1 4.551 0.030 . 1 . . . . 13 SER HA . 11229 1 90 . 1 1 13 13 SER HB2 H 1 3.930 0.030 . 2 . . . . 13 SER HB2 . 11229 1 91 . 1 1 13 13 SER HB3 H 1 3.791 0.030 . 2 . . . . 13 SER HB3 . 11229 1 92 . 1 1 13 13 SER C C 13 171.232 0.300 . 1 . . . . 13 SER C . 11229 1 93 . 1 1 13 13 SER CA C 13 55.991 0.300 . 1 . . . . 13 SER CA . 11229 1 94 . 1 1 13 13 SER CB C 13 64.463 0.300 . 1 . . . . 13 SER CB . 11229 1 95 . 1 1 13 13 SER N N 15 112.218 0.300 . 1 . . . . 13 SER N . 11229 1 96 . 1 1 14 14 PRO HA H 1 4.928 0.030 . 1 . . . . 14 PRO HA . 11229 1 97 . 1 1 14 14 PRO HB2 H 1 2.453 0.030 . 2 . . . . 14 PRO HB2 . 11229 1 98 . 1 1 14 14 PRO HB3 H 1 2.574 0.030 . 2 . . . . 14 PRO HB3 . 11229 1 99 . 1 1 14 14 PRO HD2 H 1 3.597 0.030 . 2 . . . . 14 PRO HD2 . 11229 1 100 . 1 1 14 14 PRO HD3 H 1 4.029 0.030 . 2 . . . . 14 PRO HD3 . 11229 1 101 . 1 1 14 14 PRO HG2 H 1 1.762 0.030 . 2 . . . . 14 PRO HG2 . 11229 1 102 . 1 1 14 14 PRO HG3 H 1 1.643 0.030 . 2 . . . . 14 PRO HG3 . 11229 1 103 . 1 1 14 14 PRO C C 13 175.919 0.300 . 1 . . . . 14 PRO C . 11229 1 104 . 1 1 14 14 PRO CA C 13 62.807 0.300 . 1 . . . . 14 PRO CA . 11229 1 105 . 1 1 14 14 PRO CB C 13 34.147 0.300 . 1 . . . . 14 PRO CB . 11229 1 106 . 1 1 14 14 PRO CD C 13 50.209 0.300 . 1 . . . . 14 PRO CD . 11229 1 107 . 1 1 14 14 PRO CG C 13 24.361 0.300 . 1 . . . . 14 PRO CG . 11229 1 108 . 1 1 15 15 GLN H H 1 8.811 0.030 . 1 . . . . 15 GLN H . 11229 1 109 . 1 1 15 15 GLN HA H 1 4.187 0.030 . 1 . . . . 15 GLN HA . 11229 1 110 . 1 1 15 15 GLN HB2 H 1 2.224 0.030 . 2 . . . . 15 GLN HB2 . 11229 1 111 . 1 1 15 15 GLN HB3 H 1 1.959 0.030 . 2 . . . . 15 GLN HB3 . 11229 1 112 . 1 1 15 15 GLN HE21 H 1 7.599 0.030 . 2 . . . . 15 GLN HE21 . 11229 1 113 . 1 1 15 15 GLN HE22 H 1 6.876 0.030 . 2 . . . . 15 GLN HE22 . 11229 1 114 . 1 1 15 15 GLN HG2 H 1 2.358 0.030 . 2 . . . . 15 GLN HG2 . 11229 1 115 . 1 1 15 15 GLN HG3 H 1 2.434 0.030 . 2 . . . . 15 GLN HG3 . 11229 1 116 . 1 1 15 15 GLN C C 13 174.792 0.300 . 1 . . . . 15 GLN C . 11229 1 117 . 1 1 15 15 GLN CA C 13 57.282 0.300 . 1 . . . . 15 GLN CA . 11229 1 118 . 1 1 15 15 GLN CB C 13 29.264 0.300 . 1 . . . . 15 GLN CB . 11229 1 119 . 1 1 15 15 GLN CG C 13 34.806 0.300 . 1 . . . . 15 GLN CG . 11229 1 120 . 1 1 15 15 GLN N N 15 119.409 0.300 . 1 . . . . 15 GLN N . 11229 1 121 . 1 1 15 15 GLN NE2 N 15 112.400 0.300 . 1 . . . . 15 GLN NE2 . 11229 1 122 . 1 1 16 16 ASP H H 1 7.801 0.030 . 1 . . . . 16 ASP H . 11229 1 123 . 1 1 16 16 ASP HA H 1 4.781 0.030 . 1 . . . . 16 ASP HA . 11229 1 124 . 1 1 16 16 ASP HB2 H 1 2.715 0.030 . 2 . . . . 16 ASP HB2 . 11229 1 125 . 1 1 16 16 ASP HB3 H 1 2.574 0.030 . 2 . . . . 16 ASP HB3 . 11229 1 126 . 1 1 16 16 ASP C C 13 175.319 0.300 . 1 . . . . 16 ASP C . 11229 1 127 . 1 1 16 16 ASP CA C 13 52.082 0.300 . 1 . . . . 16 ASP CA . 11229 1 128 . 1 1 16 16 ASP CB C 13 43.300 0.300 . 1 . . . . 16 ASP CB . 11229 1 129 . 1 1 16 16 ASP N N 15 117.456 0.300 . 1 . . . . 16 ASP N . 11229 1 130 . 1 1 17 17 LYS H H 1 8.599 0.030 . 1 . . . . 17 LYS H . 11229 1 131 . 1 1 17 17 LYS HA H 1 4.450 0.030 . 1 . . . . 17 LYS HA . 11229 1 132 . 1 1 17 17 LYS HB2 H 1 1.733 0.030 . 1 . . . . 17 LYS HB2 . 11229 1 133 . 1 1 17 17 LYS HB3 H 1 1.733 0.030 . 1 . . . . 17 LYS HB3 . 11229 1 134 . 1 1 17 17 LYS HD2 H 1 1.536 0.030 . 1 . . . . 17 LYS HD2 . 11229 1 135 . 1 1 17 17 LYS HD3 H 1 1.536 0.030 . 1 . . . . 17 LYS HD3 . 11229 1 136 . 1 1 17 17 LYS HE2 H 1 2.741 0.030 . 2 . . . . 17 LYS HE2 . 11229 1 137 . 1 1 17 17 LYS HE3 H 1 2.775 0.030 . 2 . . . . 17 LYS HE3 . 11229 1 138 . 1 1 17 17 LYS HG2 H 1 1.225 0.030 . 1 . . . . 17 LYS HG2 . 11229 1 139 . 1 1 17 17 LYS HG3 H 1 1.225 0.030 . 1 . . . . 17 LYS HG3 . 11229 1 140 . 1 1 17 17 LYS C C 13 176.732 0.300 . 1 . . . . 17 LYS C . 11229 1 141 . 1 1 17 17 LYS CA C 13 57.452 0.300 . 1 . . . . 17 LYS CA . 11229 1 142 . 1 1 17 17 LYS CB C 13 32.255 0.300 . 1 . . . . 17 LYS CB . 11229 1 143 . 1 1 17 17 LYS CD C 13 29.574 0.300 . 1 . . . . 17 LYS CD . 11229 1 144 . 1 1 17 17 LYS CE C 13 42.047 0.300 . 1 . . . . 17 LYS CE . 11229 1 145 . 1 1 17 17 LYS CG C 13 25.385 0.300 . 1 . . . . 17 LYS CG . 11229 1 146 . 1 1 17 17 LYS N N 15 121.495 0.300 . 1 . . . . 17 LYS N . 11229 1 147 . 1 1 18 18 VAL H H 1 7.851 0.030 . 1 . . . . 18 VAL H . 11229 1 148 . 1 1 18 18 VAL HA H 1 4.566 0.030 . 1 . . . . 18 VAL HA . 11229 1 149 . 1 1 18 18 VAL HB H 1 2.209 0.030 . 1 . . . . 18 VAL HB . 11229 1 150 . 1 1 18 18 VAL HG11 H 1 1.184 0.030 . 1 . . . . 18 VAL HG1 . 11229 1 151 . 1 1 18 18 VAL HG12 H 1 1.184 0.030 . 1 . . . . 18 VAL HG1 . 11229 1 152 . 1 1 18 18 VAL HG13 H 1 1.184 0.030 . 1 . . . . 18 VAL HG1 . 11229 1 153 . 1 1 18 18 VAL HG21 H 1 1.165 0.030 . 1 . . . . 18 VAL HG2 . 11229 1 154 . 1 1 18 18 VAL HG22 H 1 1.165 0.030 . 1 . . . . 18 VAL HG2 . 11229 1 155 . 1 1 18 18 VAL HG23 H 1 1.165 0.030 . 1 . . . . 18 VAL HG2 . 11229 1 156 . 1 1 18 18 VAL C C 13 175.034 0.300 . 1 . . . . 18 VAL C . 11229 1 157 . 1 1 18 18 VAL CA C 13 60.419 0.300 . 1 . . . . 18 VAL CA . 11229 1 158 . 1 1 18 18 VAL CB C 13 34.574 0.300 . 1 . . . . 18 VAL CB . 11229 1 159 . 1 1 18 18 VAL CG1 C 13 21.772 0.300 . 2 . . . . 18 VAL CG1 . 11229 1 160 . 1 1 18 18 VAL CG2 C 13 21.170 0.300 . 2 . . . . 18 VAL CG2 . 11229 1 161 . 1 1 18 18 VAL N N 15 124.958 0.300 . 1 . . . . 18 VAL N . 11229 1 162 . 1 1 19 19 SER H H 1 8.777 0.030 . 1 . . . . 19 SER H . 11229 1 163 . 1 1 19 19 SER HA H 1 5.338 0.030 . 1 . . . . 19 SER HA . 11229 1 164 . 1 1 19 19 SER HB2 H 1 3.756 0.030 . 2 . . . . 19 SER HB2 . 11229 1 165 . 1 1 19 19 SER HB3 H 1 3.853 0.030 . 2 . . . . 19 SER HB3 . 11229 1 166 . 1 1 19 19 SER C C 13 173.497 0.300 . 1 . . . . 19 SER C . 11229 1 167 . 1 1 19 19 SER CA C 13 57.426 0.300 . 1 . . . . 19 SER CA . 11229 1 168 . 1 1 19 19 SER CB C 13 63.954 0.300 . 1 . . . . 19 SER CB . 11229 1 169 . 1 1 19 19 SER N N 15 121.823 0.300 . 1 . . . . 19 SER N . 11229 1 170 . 1 1 20 20 LEU H H 1 9.237 0.030 . 1 . . . . 20 LEU H . 11229 1 171 . 1 1 20 20 LEU HA H 1 4.749 0.030 . 1 . . . . 20 LEU HA . 11229 1 172 . 1 1 20 20 LEU HB2 H 1 1.826 0.030 . 2 . . . . 20 LEU HB2 . 11229 1 173 . 1 1 20 20 LEU HB3 H 1 1.530 0.030 . 2 . . . . 20 LEU HB3 . 11229 1 174 . 1 1 20 20 LEU HD11 H 1 1.236 0.030 . 1 . . . . 20 LEU HD1 . 11229 1 175 . 1 1 20 20 LEU HD12 H 1 1.236 0.030 . 1 . . . . 20 LEU HD1 . 11229 1 176 . 1 1 20 20 LEU HD13 H 1 1.236 0.030 . 1 . . . . 20 LEU HD1 . 11229 1 177 . 1 1 20 20 LEU HD21 H 1 1.038 0.030 . 1 . . . . 20 LEU HD2 . 11229 1 178 . 1 1 20 20 LEU HD22 H 1 1.038 0.030 . 1 . . . . 20 LEU HD2 . 11229 1 179 . 1 1 20 20 LEU HD23 H 1 1.038 0.030 . 1 . . . . 20 LEU HD2 . 11229 1 180 . 1 1 20 20 LEU HG H 1 1.715 0.030 . 1 . . . . 20 LEU HG . 11229 1 181 . 1 1 20 20 LEU C C 13 176.066 0.300 . 1 . . . . 20 LEU C . 11229 1 182 . 1 1 20 20 LEU CA C 13 54.138 0.300 . 1 . . . . 20 LEU CA . 11229 1 183 . 1 1 20 20 LEU CB C 13 47.425 0.300 . 1 . . . . 20 LEU CB . 11229 1 184 . 1 1 20 20 LEU CD1 C 13 26.720 0.300 . 2 . . . . 20 LEU CD1 . 11229 1 185 . 1 1 20 20 LEU CD2 C 13 23.143 0.300 . 2 . . . . 20 LEU CD2 . 11229 1 186 . 1 1 20 20 LEU CG C 13 27.266 0.300 . 1 . . . . 20 LEU CG . 11229 1 187 . 1 1 20 20 LEU N N 15 127.165 0.300 . 1 . . . . 20 LEU N . 11229 1 188 . 1 1 21 21 THR H H 1 8.132 0.030 . 1 . . . . 21 THR H . 11229 1 189 . 1 1 21 21 THR HA H 1 5.305 0.030 . 1 . . . . 21 THR HA . 11229 1 190 . 1 1 21 21 THR HB H 1 3.813 0.030 . 1 . . . . 21 THR HB . 11229 1 191 . 1 1 21 21 THR HG21 H 1 1.063 0.030 . 1 . . . . 21 THR HG2 . 11229 1 192 . 1 1 21 21 THR HG22 H 1 1.063 0.030 . 1 . . . . 21 THR HG2 . 11229 1 193 . 1 1 21 21 THR HG23 H 1 1.063 0.030 . 1 . . . . 21 THR HG2 . 11229 1 194 . 1 1 21 21 THR C C 13 172.594 0.300 . 1 . . . . 21 THR C . 11229 1 195 . 1 1 21 21 THR CA C 13 60.925 0.300 . 1 . . . . 21 THR CA . 11229 1 196 . 1 1 21 21 THR CB C 13 70.765 0.300 . 1 . . . . 21 THR CB . 11229 1 197 . 1 1 21 21 THR CG2 C 13 21.368 0.300 . 1 . . . . 21 THR CG2 . 11229 1 198 . 1 1 21 21 THR N N 15 117.896 0.300 . 1 . . . . 21 THR N . 11229 1 199 . 1 1 22 22 PHE H H 1 9.094 0.030 . 1 . . . . 22 PHE H . 11229 1 200 . 1 1 22 22 PHE HA H 1 4.933 0.030 . 1 . . . . 22 PHE HA . 11229 1 201 . 1 1 22 22 PHE HB2 H 1 3.266 0.030 . 2 . . . . 22 PHE HB2 . 11229 1 202 . 1 1 22 22 PHE HB3 H 1 2.312 0.030 . 2 . . . . 22 PHE HB3 . 11229 1 203 . 1 1 22 22 PHE HD1 H 1 7.111 0.030 . 1 . . . . 22 PHE HD1 . 11229 1 204 . 1 1 22 22 PHE HD2 H 1 7.111 0.030 . 1 . . . . 22 PHE HD2 . 11229 1 205 . 1 1 22 22 PHE HE1 H 1 7.260 0.030 . 1 . . . . 22 PHE HE1 . 11229 1 206 . 1 1 22 22 PHE HE2 H 1 7.260 0.030 . 1 . . . . 22 PHE HE2 . 11229 1 207 . 1 1 22 22 PHE HZ H 1 7.358 0.030 . 1 . . . . 22 PHE HZ . 11229 1 208 . 1 1 22 22 PHE C C 13 174.686 0.300 . 1 . . . . 22 PHE C . 11229 1 209 . 1 1 22 22 PHE CA C 13 56.306 0.300 . 1 . . . . 22 PHE CA . 11229 1 210 . 1 1 22 22 PHE CB C 13 43.995 0.300 . 1 . . . . 22 PHE CB . 11229 1 211 . 1 1 22 22 PHE CD1 C 13 132.071 0.300 . 1 . . . . 22 PHE CD1 . 11229 1 212 . 1 1 22 22 PHE CD2 C 13 132.071 0.300 . 1 . . . . 22 PHE CD2 . 11229 1 213 . 1 1 22 22 PHE CE1 C 13 131.651 0.300 . 1 . . . . 22 PHE CE1 . 11229 1 214 . 1 1 22 22 PHE CE2 C 13 131.651 0.300 . 1 . . . . 22 PHE CE2 . 11229 1 215 . 1 1 22 22 PHE CZ C 13 129.820 0.300 . 1 . . . . 22 PHE CZ . 11229 1 216 . 1 1 22 22 PHE N N 15 123.751 0.300 . 1 . . . . 22 PHE N . 11229 1 217 . 1 1 23 23 THR H H 1 9.314 0.030 . 1 . . . . 23 THR H . 11229 1 218 . 1 1 23 23 THR HA H 1 5.392 0.030 . 1 . . . . 23 THR HA . 11229 1 219 . 1 1 23 23 THR HB H 1 4.058 0.030 . 1 . . . . 23 THR HB . 11229 1 220 . 1 1 23 23 THR HG21 H 1 1.404 0.030 . 1 . . . . 23 THR HG2 . 11229 1 221 . 1 1 23 23 THR HG22 H 1 1.404 0.030 . 1 . . . . 23 THR HG2 . 11229 1 222 . 1 1 23 23 THR HG23 H 1 1.404 0.030 . 1 . . . . 23 THR HG2 . 11229 1 223 . 1 1 23 23 THR C C 13 174.125 0.300 . 1 . . . . 23 THR C . 11229 1 224 . 1 1 23 23 THR CA C 13 60.651 0.300 . 1 . . . . 23 THR CA . 11229 1 225 . 1 1 23 23 THR CB C 13 70.765 0.300 . 1 . . . . 23 THR CB . 11229 1 226 . 1 1 23 23 THR CG2 C 13 22.017 0.300 . 1 . . . . 23 THR CG2 . 11229 1 227 . 1 1 23 23 THR N N 15 117.645 0.300 . 1 . . . . 23 THR N . 11229 1 228 . 1 1 24 24 THR H H 1 7.913 0.030 . 1 . . . . 24 THR H . 11229 1 229 . 1 1 24 24 THR HA H 1 3.482 0.030 . 1 . . . . 24 THR HA . 11229 1 230 . 1 1 24 24 THR HB H 1 4.077 0.030 . 1 . . . . 24 THR HB . 11229 1 231 . 1 1 24 24 THR HG21 H 1 1.335 0.030 . 1 . . . . 24 THR HG2 . 11229 1 232 . 1 1 24 24 THR HG22 H 1 1.335 0.030 . 1 . . . . 24 THR HG2 . 11229 1 233 . 1 1 24 24 THR HG23 H 1 1.335 0.030 . 1 . . . . 24 THR HG2 . 11229 1 234 . 1 1 24 24 THR C C 13 175.206 0.300 . 1 . . . . 24 THR C . 11229 1 235 . 1 1 24 24 THR CA C 13 64.398 0.300 . 1 . . . . 24 THR CA . 11229 1 236 . 1 1 24 24 THR CB C 13 69.072 0.300 . 1 . . . . 24 THR CB . 11229 1 237 . 1 1 24 24 THR CG2 C 13 24.006 0.300 . 1 . . . . 24 THR CG2 . 11229 1 238 . 1 1 24 24 THR N N 15 117.556 0.300 . 1 . . . . 24 THR N . 11229 1 239 . 1 1 25 25 SER H H 1 9.529 0.030 . 1 . . . . 25 SER H . 11229 1 240 . 1 1 25 25 SER HA H 1 3.800 0.030 . 1 . . . . 25 SER HA . 11229 1 241 . 1 1 25 25 SER HB2 H 1 4.064 0.030 . 2 . . . . 25 SER HB2 . 11229 1 242 . 1 1 25 25 SER HB3 H 1 4.313 0.030 . 2 . . . . 25 SER HB3 . 11229 1 243 . 1 1 25 25 SER C C 13 173.484 0.300 . 1 . . . . 25 SER C . 11229 1 244 . 1 1 25 25 SER CA C 13 61.846 0.300 . 1 . . . . 25 SER CA . 11229 1 245 . 1 1 25 25 SER CB C 13 61.939 0.300 . 1 . . . . 25 SER CB . 11229 1 246 . 1 1 25 25 SER N N 15 117.372 0.300 . 1 . . . . 25 SER N . 11229 1 247 . 1 1 26 26 GLU H H 1 7.966 0.030 . 1 . . . . 26 GLU H . 11229 1 248 . 1 1 26 26 GLU HA H 1 4.228 0.030 . 1 . . . . 26 GLU HA . 11229 1 249 . 1 1 26 26 GLU HB2 H 1 2.255 0.030 . 2 . . . . 26 GLU HB2 . 11229 1 250 . 1 1 26 26 GLU HB3 H 1 2.032 0.030 . 2 . . . . 26 GLU HB3 . 11229 1 251 . 1 1 26 26 GLU HG2 H 1 2.563 0.030 . 2 . . . . 26 GLU HG2 . 11229 1 252 . 1 1 26 26 GLU HG3 H 1 2.289 0.030 . 2 . . . . 26 GLU HG3 . 11229 1 253 . 1 1 26 26 GLU C C 13 174.422 0.300 . 1 . . . . 26 GLU C . 11229 1 254 . 1 1 26 26 GLU CA C 13 57.549 0.300 . 1 . . . . 26 GLU CA . 11229 1 255 . 1 1 26 26 GLU CB C 13 31.448 0.300 . 1 . . . . 26 GLU CB . 11229 1 256 . 1 1 26 26 GLU CG C 13 38.222 0.300 . 1 . . . . 26 GLU CG . 11229 1 257 . 1 1 26 26 GLU N N 15 121.919 0.300 . 1 . . . . 26 GLU N . 11229 1 258 . 1 1 27 27 ARG H H 1 8.115 0.030 . 1 . . . . 27 ARG H . 11229 1 259 . 1 1 27 27 ARG HA H 1 4.587 0.030 . 1 . . . . 27 ARG HA . 11229 1 260 . 1 1 27 27 ARG HB2 H 1 1.650 0.030 . 1 . . . . 27 ARG HB2 . 11229 1 261 . 1 1 27 27 ARG HB3 H 1 1.650 0.030 . 1 . . . . 27 ARG HB3 . 11229 1 262 . 1 1 27 27 ARG HD2 H 1 3.149 0.030 . 2 . . . . 27 ARG HD2 . 11229 1 263 . 1 1 27 27 ARG HD3 H 1 3.060 0.030 . 2 . . . . 27 ARG HD3 . 11229 1 264 . 1 1 27 27 ARG HG2 H 1 1.332 0.030 . 2 . . . . 27 ARG HG2 . 11229 1 265 . 1 1 27 27 ARG HG3 H 1 1.041 0.030 . 2 . . . . 27 ARG HG3 . 11229 1 266 . 1 1 27 27 ARG C C 13 175.822 0.300 . 1 . . . . 27 ARG C . 11229 1 267 . 1 1 27 27 ARG CA C 13 55.095 0.300 . 1 . . . . 27 ARG CA . 11229 1 268 . 1 1 27 27 ARG CB C 13 30.565 0.300 . 1 . . . . 27 ARG CB . 11229 1 269 . 1 1 27 27 ARG CD C 13 43.323 0.300 . 1 . . . . 27 ARG CD . 11229 1 270 . 1 1 27 27 ARG CG C 13 28.000 0.300 . 1 . . . . 27 ARG CG . 11229 1 271 . 1 1 27 27 ARG N N 15 121.856 0.300 . 1 . . . . 27 ARG N . 11229 1 272 . 1 1 28 28 VAL H H 1 8.444 0.030 . 1 . . . . 28 VAL H . 11229 1 273 . 1 1 28 28 VAL HA H 1 3.387 0.030 . 1 . . . . 28 VAL HA . 11229 1 274 . 1 1 28 28 VAL HB H 1 1.474 0.030 . 1 . . . . 28 VAL HB . 11229 1 275 . 1 1 28 28 VAL HG11 H 1 0.002 0.030 . 1 . . . . 28 VAL HG1 . 11229 1 276 . 1 1 28 28 VAL HG12 H 1 0.002 0.030 . 1 . . . . 28 VAL HG1 . 11229 1 277 . 1 1 28 28 VAL HG13 H 1 0.002 0.030 . 1 . . . . 28 VAL HG1 . 11229 1 278 . 1 1 28 28 VAL HG21 H 1 -0.338 0.030 . 1 . . . . 28 VAL HG2 . 11229 1 279 . 1 1 28 28 VAL HG22 H 1 -0.338 0.030 . 1 . . . . 28 VAL HG2 . 11229 1 280 . 1 1 28 28 VAL HG23 H 1 -0.338 0.030 . 1 . . . . 28 VAL HG2 . 11229 1 281 . 1 1 28 28 VAL C C 13 173.686 0.300 . 1 . . . . 28 VAL C . 11229 1 282 . 1 1 28 28 VAL CA C 13 61.167 0.300 . 1 . . . . 28 VAL CA . 11229 1 283 . 1 1 28 28 VAL CB C 13 33.168 0.300 . 1 . . . . 28 VAL CB . 11229 1 284 . 1 1 28 28 VAL CG1 C 13 19.557 0.300 . 2 . . . . 28 VAL CG1 . 11229 1 285 . 1 1 28 28 VAL CG2 C 13 19.435 0.300 . 2 . . . . 28 VAL CG2 . 11229 1 286 . 1 1 28 28 VAL N N 15 130.801 0.300 . 1 . . . . 28 VAL N . 11229 1 287 . 1 1 29 29 VAL H H 1 7.731 0.030 . 1 . . . . 29 VAL H . 11229 1 288 . 1 1 29 29 VAL HA H 1 4.473 0.030 . 1 . . . . 29 VAL HA . 11229 1 289 . 1 1 29 29 VAL HB H 1 1.865 0.030 . 1 . . . . 29 VAL HB . 11229 1 290 . 1 1 29 29 VAL HG11 H 1 0.717 0.030 . 1 . . . . 29 VAL HG1 . 11229 1 291 . 1 1 29 29 VAL HG12 H 1 0.717 0.030 . 1 . . . . 29 VAL HG1 . 11229 1 292 . 1 1 29 29 VAL HG13 H 1 0.717 0.030 . 1 . . . . 29 VAL HG1 . 11229 1 293 . 1 1 29 29 VAL HG21 H 1 0.621 0.030 . 1 . . . . 29 VAL HG2 . 11229 1 294 . 1 1 29 29 VAL HG22 H 1 0.621 0.030 . 1 . . . . 29 VAL HG2 . 11229 1 295 . 1 1 29 29 VAL HG23 H 1 0.621 0.030 . 1 . . . . 29 VAL HG2 . 11229 1 296 . 1 1 29 29 VAL C C 13 175.287 0.300 . 1 . . . . 29 VAL C . 11229 1 297 . 1 1 29 29 VAL CA C 13 60.813 0.300 . 1 . . . . 29 VAL CA . 11229 1 298 . 1 1 29 29 VAL CB C 13 33.640 0.300 . 1 . . . . 29 VAL CB . 11229 1 299 . 1 1 29 29 VAL CG1 C 13 20.671 0.300 . 2 . . . . 29 VAL CG1 . 11229 1 300 . 1 1 29 29 VAL CG2 C 13 20.626 0.300 . 2 . . . . 29 VAL CG2 . 11229 1 301 . 1 1 29 29 VAL N N 15 124.851 0.300 . 1 . . . . 29 VAL N . 11229 1 302 . 1 1 30 30 LEU H H 1 9.206 0.030 . 1 . . . . 30 LEU H . 11229 1 303 . 1 1 30 30 LEU HA H 1 4.362 0.030 . 1 . . . . 30 LEU HA . 11229 1 304 . 1 1 30 30 LEU HB2 H 1 1.200 0.030 . 2 . . . . 30 LEU HB2 . 11229 1 305 . 1 1 30 30 LEU HB3 H 1 -0.173 0.030 . 2 . . . . 30 LEU HB3 . 11229 1 306 . 1 1 30 30 LEU HD11 H 1 0.020 0.030 . 1 . . . . 30 LEU HD1 . 11229 1 307 . 1 1 30 30 LEU HD12 H 1 0.020 0.030 . 1 . . . . 30 LEU HD1 . 11229 1 308 . 1 1 30 30 LEU HD13 H 1 0.020 0.030 . 1 . . . . 30 LEU HD1 . 11229 1 309 . 1 1 30 30 LEU HD21 H 1 0.373 0.030 . 1 . . . . 30 LEU HD2 . 11229 1 310 . 1 1 30 30 LEU HD22 H 1 0.373 0.030 . 1 . . . . 30 LEU HD2 . 11229 1 311 . 1 1 30 30 LEU HD23 H 1 0.373 0.030 . 1 . . . . 30 LEU HD2 . 11229 1 312 . 1 1 30 30 LEU HG H 1 0.921 0.030 . 1 . . . . 30 LEU HG . 11229 1 313 . 1 1 30 30 LEU C C 13 175.470 0.300 . 1 . . . . 30 LEU C . 11229 1 314 . 1 1 30 30 LEU CA C 13 52.711 0.300 . 1 . . . . 30 LEU CA . 11229 1 315 . 1 1 30 30 LEU CB C 13 40.900 0.300 . 1 . . . . 30 LEU CB . 11229 1 316 . 1 1 30 30 LEU CD1 C 13 25.392 0.300 . 2 . . . . 30 LEU CD1 . 11229 1 317 . 1 1 30 30 LEU CD2 C 13 21.848 0.300 . 2 . . . . 30 LEU CD2 . 11229 1 318 . 1 1 30 30 LEU CG C 13 25.881 0.300 . 1 . . . . 30 LEU CG . 11229 1 319 . 1 1 30 30 LEU N N 15 130.056 0.300 . 1 . . . . 30 LEU N . 11229 1 320 . 1 1 31 31 THR H H 1 8.143 0.030 . 1 . . . . 31 THR H . 11229 1 321 . 1 1 31 31 THR HA H 1 5.296 0.030 . 1 . . . . 31 THR HA . 11229 1 322 . 1 1 31 31 THR HB H 1 3.989 0.030 . 1 . . . . 31 THR HB . 11229 1 323 . 1 1 31 31 THR HG21 H 1 1.137 0.030 . 1 . . . . 31 THR HG2 . 11229 1 324 . 1 1 31 31 THR HG22 H 1 1.137 0.030 . 1 . . . . 31 THR HG2 . 11229 1 325 . 1 1 31 31 THR HG23 H 1 1.137 0.030 . 1 . . . . 31 THR HG2 . 11229 1 326 . 1 1 31 31 THR C C 13 173.504 0.300 . 1 . . . . 31 THR C . 11229 1 327 . 1 1 31 31 THR CA C 13 61.974 0.300 . 1 . . . . 31 THR CA . 11229 1 328 . 1 1 31 31 THR CB C 13 70.337 0.300 . 1 . . . . 31 THR CB . 11229 1 329 . 1 1 31 31 THR CG2 C 13 21.402 0.300 . 1 . . . . 31 THR CG2 . 11229 1 330 . 1 1 31 31 THR N N 15 117.091 0.300 . 1 . . . . 31 THR N . 11229 1 331 . 1 1 32 32 CYS H H 1 9.962 0.030 . 1 . . . . 32 CYS H . 11229 1 332 . 1 1 32 32 CYS HA H 1 5.392 0.030 . 1 . . . . 32 CYS HA . 11229 1 333 . 1 1 32 32 CYS HB2 H 1 2.750 0.030 . 2 . . . . 32 CYS HB2 . 11229 1 334 . 1 1 32 32 CYS HB3 H 1 3.040 0.030 . 2 . . . . 32 CYS HB3 . 11229 1 335 . 1 1 32 32 CYS C C 13 172.615 0.300 . 1 . . . . 32 CYS C . 11229 1 336 . 1 1 32 32 CYS CA C 13 56.448 0.300 . 1 . . . . 32 CYS CA . 11229 1 337 . 1 1 32 32 CYS CB C 13 29.753 0.300 . 1 . . . . 32 CYS CB . 11229 1 338 . 1 1 32 32 CYS N N 15 129.093 0.300 . 1 . . . . 32 CYS N . 11229 1 339 . 1 1 33 33 GLU H H 1 9.544 0.030 . 1 . . . . 33 GLU H . 11229 1 340 . 1 1 33 33 GLU HA H 1 5.216 0.030 . 1 . . . . 33 GLU HA . 11229 1 341 . 1 1 33 33 GLU HB2 H 1 2.133 0.030 . 2 . . . . 33 GLU HB2 . 11229 1 342 . 1 1 33 33 GLU HB3 H 1 1.750 0.030 . 2 . . . . 33 GLU HB3 . 11229 1 343 . 1 1 33 33 GLU HG2 H 1 2.253 0.030 . 2 . . . . 33 GLU HG2 . 11229 1 344 . 1 1 33 33 GLU HG3 H 1 2.110 0.030 . 2 . . . . 33 GLU HG3 . 11229 1 345 . 1 1 33 33 GLU C C 13 175.173 0.300 . 1 . . . . 33 GLU C . 11229 1 346 . 1 1 33 33 GLU CA C 13 54.894 0.300 . 1 . . . . 33 GLU CA . 11229 1 347 . 1 1 33 33 GLU CB C 13 32.268 0.300 . 1 . . . . 33 GLU CB . 11229 1 348 . 1 1 33 33 GLU CG C 13 37.269 0.300 . 1 . . . . 33 GLU CG . 11229 1 349 . 1 1 33 33 GLU N N 15 129.779 0.300 . 1 . . . . 33 GLU N . 11229 1 350 . 1 1 34 34 LEU H H 1 9.256 0.030 . 1 . . . . 34 LEU H . 11229 1 351 . 1 1 34 34 LEU HA H 1 5.065 0.030 . 1 . . . . 34 LEU HA . 11229 1 352 . 1 1 34 34 LEU HB2 H 1 2.359 0.030 . 2 . . . . 34 LEU HB2 . 11229 1 353 . 1 1 34 34 LEU HB3 H 1 1.446 0.030 . 2 . . . . 34 LEU HB3 . 11229 1 354 . 1 1 34 34 LEU HD11 H 1 0.966 0.030 . 1 . . . . 34 LEU HD1 . 11229 1 355 . 1 1 34 34 LEU HD12 H 1 0.966 0.030 . 1 . . . . 34 LEU HD1 . 11229 1 356 . 1 1 34 34 LEU HD13 H 1 0.966 0.030 . 1 . . . . 34 LEU HD1 . 11229 1 357 . 1 1 34 34 LEU HD21 H 1 0.692 0.030 . 1 . . . . 34 LEU HD2 . 11229 1 358 . 1 1 34 34 LEU HD22 H 1 0.692 0.030 . 1 . . . . 34 LEU HD2 . 11229 1 359 . 1 1 34 34 LEU HD23 H 1 0.692 0.030 . 1 . . . . 34 LEU HD2 . 11229 1 360 . 1 1 34 34 LEU HG H 1 1.884 0.030 . 1 . . . . 34 LEU HG . 11229 1 361 . 1 1 34 34 LEU C C 13 176.565 0.300 . 1 . . . . 34 LEU C . 11229 1 362 . 1 1 34 34 LEU CA C 13 53.338 0.300 . 1 . . . . 34 LEU CA . 11229 1 363 . 1 1 34 34 LEU CB C 13 44.693 0.300 . 1 . . . . 34 LEU CB . 11229 1 364 . 1 1 34 34 LEU CD1 C 13 26.326 0.300 . 2 . . . . 34 LEU CD1 . 11229 1 365 . 1 1 34 34 LEU CD2 C 13 25.005 0.300 . 2 . . . . 34 LEU CD2 . 11229 1 366 . 1 1 34 34 LEU CG C 13 27.778 0.300 . 1 . . . . 34 LEU CG . 11229 1 367 . 1 1 34 34 LEU N N 15 126.062 0.300 . 1 . . . . 34 LEU N . 11229 1 368 . 1 1 35 35 SER H H 1 8.198 0.030 . 1 . . . . 35 SER H . 11229 1 369 . 1 1 35 35 SER HA H 1 4.045 0.030 . 1 . . . . 35 SER HA . 11229 1 370 . 1 1 35 35 SER HB2 H 1 4.024 0.030 . 2 . . . . 35 SER HB2 . 11229 1 371 . 1 1 35 35 SER HB3 H 1 2.985 0.030 . 2 . . . . 35 SER HB3 . 11229 1 372 . 1 1 35 35 SER C C 13 174.144 0.300 . 1 . . . . 35 SER C . 11229 1 373 . 1 1 35 35 SER CA C 13 59.429 0.300 . 1 . . . . 35 SER CA . 11229 1 374 . 1 1 35 35 SER CB C 13 62.491 0.300 . 1 . . . . 35 SER CB . 11229 1 375 . 1 1 35 35 SER N N 15 108.747 0.300 . 1 . . . . 35 SER N . 11229 1 376 . 1 1 36 36 ARG H H 1 6.650 0.030 . 1 . . . . 36 ARG H . 11229 1 377 . 1 1 36 36 ARG HA H 1 4.810 0.030 . 1 . . . . 36 ARG HA . 11229 1 378 . 1 1 36 36 ARG HB2 H 1 1.889 0.030 . 2 . . . . 36 ARG HB2 . 11229 1 379 . 1 1 36 36 ARG HB3 H 1 1.206 0.030 . 2 . . . . 36 ARG HB3 . 11229 1 380 . 1 1 36 36 ARG HD2 H 1 3.013 0.030 . 2 . . . . 36 ARG HD2 . 11229 1 381 . 1 1 36 36 ARG HD3 H 1 2.976 0.030 . 2 . . . . 36 ARG HD3 . 11229 1 382 . 1 1 36 36 ARG HG2 H 1 1.564 0.030 . 2 . . . . 36 ARG HG2 . 11229 1 383 . 1 1 36 36 ARG HG3 H 1 1.429 0.030 . 2 . . . . 36 ARG HG3 . 11229 1 384 . 1 1 36 36 ARG C C 13 174.660 0.300 . 1 . . . . 36 ARG C . 11229 1 385 . 1 1 36 36 ARG CA C 13 53.631 0.300 . 1 . . . . 36 ARG CA . 11229 1 386 . 1 1 36 36 ARG CB C 13 34.724 0.300 . 1 . . . . 36 ARG CB . 11229 1 387 . 1 1 36 36 ARG CD C 13 42.809 0.300 . 1 . . . . 36 ARG CD . 11229 1 388 . 1 1 36 36 ARG CG C 13 26.491 0.300 . 1 . . . . 36 ARG CG . 11229 1 389 . 1 1 36 36 ARG N N 15 118.664 0.300 . 1 . . . . 36 ARG N . 11229 1 390 . 1 1 37 37 VAL H H 1 8.469 0.030 . 1 . . . . 37 VAL H . 11229 1 391 . 1 1 37 37 VAL HA H 1 3.525 0.030 . 1 . . . . 37 VAL HA . 11229 1 392 . 1 1 37 37 VAL HB H 1 1.987 0.030 . 1 . . . . 37 VAL HB . 11229 1 393 . 1 1 37 37 VAL HG11 H 1 0.941 0.030 . 1 . . . . 37 VAL HG1 . 11229 1 394 . 1 1 37 37 VAL HG12 H 1 0.941 0.030 . 1 . . . . 37 VAL HG1 . 11229 1 395 . 1 1 37 37 VAL HG13 H 1 0.941 0.030 . 1 . . . . 37 VAL HG1 . 11229 1 396 . 1 1 37 37 VAL HG21 H 1 0.980 0.030 . 1 . . . . 37 VAL HG2 . 11229 1 397 . 1 1 37 37 VAL HG22 H 1 0.980 0.030 . 1 . . . . 37 VAL HG2 . 11229 1 398 . 1 1 37 37 VAL HG23 H 1 0.980 0.030 . 1 . . . . 37 VAL HG2 . 11229 1 399 . 1 1 37 37 VAL C C 13 174.535 0.300 . 1 . . . . 37 VAL C . 11229 1 400 . 1 1 37 37 VAL CA C 13 61.846 0.300 . 1 . . . . 37 VAL CA . 11229 1 401 . 1 1 37 37 VAL CB C 13 32.987 0.300 . 1 . . . . 37 VAL CB . 11229 1 402 . 1 1 37 37 VAL CG1 C 13 21.717 0.300 . 2 . . . . 37 VAL CG1 . 11229 1 403 . 1 1 37 37 VAL CG2 C 13 21.089 0.300 . 2 . . . . 37 VAL CG2 . 11229 1 404 . 1 1 37 37 VAL N N 15 120.500 0.300 . 1 . . . . 37 VAL N . 11229 1 405 . 1 1 38 38 ASP H H 1 8.100 0.030 . 1 . . . . 38 ASP H . 11229 1 406 . 1 1 38 38 ASP HA H 1 4.493 0.030 . 1 . . . . 38 ASP HA . 11229 1 407 . 1 1 38 38 ASP HB2 H 1 2.807 0.030 . 2 . . . . 38 ASP HB2 . 11229 1 408 . 1 1 38 38 ASP HB3 H 1 2.680 0.030 . 2 . . . . 38 ASP HB3 . 11229 1 409 . 1 1 38 38 ASP C C 13 174.056 0.300 . 1 . . . . 38 ASP C . 11229 1 410 . 1 1 38 38 ASP CA C 13 55.523 0.300 . 1 . . . . 38 ASP CA . 11229 1 411 . 1 1 38 38 ASP CB C 13 38.859 0.300 . 1 . . . . 38 ASP CB . 11229 1 412 . 1 1 38 38 ASP N N 15 122.876 0.300 . 1 . . . . 38 ASP N . 11229 1 413 . 1 1 39 39 PHE H H 1 9.185 0.030 . 1 . . . . 39 PHE H . 11229 1 414 . 1 1 39 39 PHE HA H 1 4.772 0.030 . 1 . . . . 39 PHE HA . 11229 1 415 . 1 1 39 39 PHE HB2 H 1 3.039 0.030 . 2 . . . . 39 PHE HB2 . 11229 1 416 . 1 1 39 39 PHE HB3 H 1 2.523 0.030 . 2 . . . . 39 PHE HB3 . 11229 1 417 . 1 1 39 39 PHE HD1 H 1 7.227 0.030 . 1 . . . . 39 PHE HD1 . 11229 1 418 . 1 1 39 39 PHE HD2 H 1 7.227 0.030 . 1 . . . . 39 PHE HD2 . 11229 1 419 . 1 1 39 39 PHE HE1 H 1 7.349 0.030 . 1 . . . . 39 PHE HE1 . 11229 1 420 . 1 1 39 39 PHE HE2 H 1 7.349 0.030 . 1 . . . . 39 PHE HE2 . 11229 1 421 . 1 1 39 39 PHE HZ H 1 7.316 0.030 . 1 . . . . 39 PHE HZ . 11229 1 422 . 1 1 39 39 PHE C C 13 172.648 0.300 . 1 . . . . 39 PHE C . 11229 1 423 . 1 1 39 39 PHE CA C 13 55.761 0.300 . 1 . . . . 39 PHE CA . 11229 1 424 . 1 1 39 39 PHE CB C 13 42.652 0.300 . 1 . . . . 39 PHE CB . 11229 1 425 . 1 1 39 39 PHE CD1 C 13 131.700 0.300 . 1 . . . . 39 PHE CD1 . 11229 1 426 . 1 1 39 39 PHE CD2 C 13 131.700 0.300 . 1 . . . . 39 PHE CD2 . 11229 1 427 . 1 1 39 39 PHE CE1 C 13 131.625 0.300 . 1 . . . . 39 PHE CE1 . 11229 1 428 . 1 1 39 39 PHE CE2 C 13 131.625 0.300 . 1 . . . . 39 PHE CE2 . 11229 1 429 . 1 1 39 39 PHE CZ C 13 129.641 0.300 . 1 . . . . 39 PHE CZ . 11229 1 430 . 1 1 39 39 PHE N N 15 126.365 0.300 . 1 . . . . 39 PHE N . 11229 1 431 . 1 1 40 40 PRO HA H 1 4.376 0.030 . 1 . . . . 40 PRO HA . 11229 1 432 . 1 1 40 40 PRO HB2 H 1 1.702 0.030 . 2 . . . . 40 PRO HB2 . 11229 1 433 . 1 1 40 40 PRO HB3 H 1 2.112 0.030 . 2 . . . . 40 PRO HB3 . 11229 1 434 . 1 1 40 40 PRO HD2 H 1 2.072 0.030 . 2 . . . . 40 PRO HD2 . 11229 1 435 . 1 1 40 40 PRO HD3 H 1 3.362 0.030 . 2 . . . . 40 PRO HD3 . 11229 1 436 . 1 1 40 40 PRO HG2 H 1 1.675 0.030 . 2 . . . . 40 PRO HG2 . 11229 1 437 . 1 1 40 40 PRO HG3 H 1 1.624 0.030 . 2 . . . . 40 PRO HG3 . 11229 1 438 . 1 1 40 40 PRO C C 13 175.568 0.300 . 1 . . . . 40 PRO C . 11229 1 439 . 1 1 40 40 PRO CA C 13 63.543 0.300 . 1 . . . . 40 PRO CA . 11229 1 440 . 1 1 40 40 PRO CB C 13 32.205 0.300 . 1 . . . . 40 PRO CB . 11229 1 441 . 1 1 40 40 PRO CD C 13 50.072 0.300 . 1 . . . . 40 PRO CD . 11229 1 442 . 1 1 40 40 PRO CG C 13 27.357 0.300 . 1 . . . . 40 PRO CG . 11229 1 443 . 1 1 41 41 ALA H H 1 8.040 0.030 . 1 . . . . 41 ALA H . 11229 1 444 . 1 1 41 41 ALA HA H 1 4.601 0.030 . 1 . . . . 41 ALA HA . 11229 1 445 . 1 1 41 41 ALA HB1 H 1 0.421 0.030 . 1 . . . . 41 ALA HB . 11229 1 446 . 1 1 41 41 ALA HB2 H 1 0.421 0.030 . 1 . . . . 41 ALA HB . 11229 1 447 . 1 1 41 41 ALA HB3 H 1 0.421 0.030 . 1 . . . . 41 ALA HB . 11229 1 448 . 1 1 41 41 ALA C C 13 175.914 0.300 . 1 . . . . 41 ALA C . 11229 1 449 . 1 1 41 41 ALA CA C 13 51.353 0.300 . 1 . . . . 41 ALA CA . 11229 1 450 . 1 1 41 41 ALA CB C 13 21.585 0.300 . 1 . . . . 41 ALA CB . 11229 1 451 . 1 1 41 41 ALA N N 15 123.384 0.300 . 1 . . . . 41 ALA N . 11229 1 452 . 1 1 42 42 THR H H 1 8.604 0.030 . 1 . . . . 42 THR H . 11229 1 453 . 1 1 42 42 THR HA H 1 4.657 0.030 . 1 . . . . 42 THR HA . 11229 1 454 . 1 1 42 42 THR HB H 1 3.899 0.030 . 1 . . . . 42 THR HB . 11229 1 455 . 1 1 42 42 THR HG21 H 1 1.141 0.030 . 1 . . . . 42 THR HG2 . 11229 1 456 . 1 1 42 42 THR HG22 H 1 1.141 0.030 . 1 . . . . 42 THR HG2 . 11229 1 457 . 1 1 42 42 THR HG23 H 1 1.141 0.030 . 1 . . . . 42 THR HG2 . 11229 1 458 . 1 1 42 42 THR C C 13 172.205 0.300 . 1 . . . . 42 THR C . 11229 1 459 . 1 1 42 42 THR CA C 13 61.702 0.300 . 1 . . . . 42 THR CA . 11229 1 460 . 1 1 42 42 THR CB C 13 72.477 0.300 . 1 . . . . 42 THR CB . 11229 1 461 . 1 1 42 42 THR CG2 C 13 22.017 0.300 . 1 . . . . 42 THR CG2 . 11229 1 462 . 1 1 42 42 THR N N 15 116.131 0.300 . 1 . . . . 42 THR N . 11229 1 463 . 1 1 43 43 TRP H H 1 9.451 0.030 . 1 . . . . 43 TRP H . 11229 1 464 . 1 1 43 43 TRP HA H 1 5.777 0.030 . 1 . . . . 43 TRP HA . 11229 1 465 . 1 1 43 43 TRP HB2 H 1 3.052 0.030 . 2 . . . . 43 TRP HB2 . 11229 1 466 . 1 1 43 43 TRP HB3 H 1 2.994 0.030 . 2 . . . . 43 TRP HB3 . 11229 1 467 . 1 1 43 43 TRP HD1 H 1 7.323 0.030 . 1 . . . . 43 TRP HD1 . 11229 1 468 . 1 1 43 43 TRP HE1 H 1 10.200 0.030 . 1 . . . . 43 TRP HE1 . 11229 1 469 . 1 1 43 43 TRP HE3 H 1 7.420 0.030 . 1 . . . . 43 TRP HE3 . 11229 1 470 . 1 1 43 43 TRP HH2 H 1 6.358 0.030 . 1 . . . . 43 TRP HH2 . 11229 1 471 . 1 1 43 43 TRP HZ2 H 1 7.082 0.030 . 1 . . . . 43 TRP HZ2 . 11229 1 472 . 1 1 43 43 TRP HZ3 H 1 6.490 0.030 . 1 . . . . 43 TRP HZ3 . 11229 1 473 . 1 1 43 43 TRP C C 13 175.589 0.300 . 1 . . . . 43 TRP C . 11229 1 474 . 1 1 43 43 TRP CA C 13 56.812 0.300 . 1 . . . . 43 TRP CA . 11229 1 475 . 1 1 43 43 TRP CB C 13 30.872 0.300 . 1 . . . . 43 TRP CB . 11229 1 476 . 1 1 43 43 TRP CD1 C 13 128.165 0.300 . 1 . . . . 43 TRP CD1 . 11229 1 477 . 1 1 43 43 TRP CE3 C 13 120.274 0.300 . 1 . . . . 43 TRP CE3 . 11229 1 478 . 1 1 43 43 TRP CH2 C 13 123.683 0.300 . 1 . . . . 43 TRP CH2 . 11229 1 479 . 1 1 43 43 TRP CZ2 C 13 114.507 0.300 . 1 . . . . 43 TRP CZ2 . 11229 1 480 . 1 1 43 43 TRP CZ3 C 13 121.177 0.300 . 1 . . . . 43 TRP CZ3 . 11229 1 481 . 1 1 43 43 TRP N N 15 127.060 0.300 . 1 . . . . 43 TRP N . 11229 1 482 . 1 1 43 43 TRP NE1 N 15 129.758 0.300 . 1 . . . . 43 TRP NE1 . 11229 1 483 . 1 1 44 44 TYR H H 1 9.778 0.030 . 1 . . . . 44 TYR H . 11229 1 484 . 1 1 44 44 TYR HA H 1 4.961 0.030 . 1 . . . . 44 TYR HA . 11229 1 485 . 1 1 44 44 TYR HB2 H 1 2.451 0.030 . 2 . . . . 44 TYR HB2 . 11229 1 486 . 1 1 44 44 TYR HB3 H 1 2.974 0.030 . 2 . . . . 44 TYR HB3 . 11229 1 487 . 1 1 44 44 TYR HD1 H 1 6.649 0.030 . 1 . . . . 44 TYR HD1 . 11229 1 488 . 1 1 44 44 TYR HD2 H 1 6.649 0.030 . 1 . . . . 44 TYR HD2 . 11229 1 489 . 1 1 44 44 TYR HE1 H 1 6.532 0.030 . 1 . . . . 44 TYR HE1 . 11229 1 490 . 1 1 44 44 TYR HE2 H 1 6.532 0.030 . 1 . . . . 44 TYR HE2 . 11229 1 491 . 1 1 44 44 TYR C C 13 174.750 0.300 . 1 . . . . 44 TYR C . 11229 1 492 . 1 1 44 44 TYR CA C 13 56.729 0.300 . 1 . . . . 44 TYR CA . 11229 1 493 . 1 1 44 44 TYR CB C 13 43.628 0.300 . 1 . . . . 44 TYR CB . 11229 1 494 . 1 1 44 44 TYR CD1 C 13 132.310 0.300 . 1 . . . . 44 TYR CD1 . 11229 1 495 . 1 1 44 44 TYR CD2 C 13 132.310 0.300 . 1 . . . . 44 TYR CD2 . 11229 1 496 . 1 1 44 44 TYR CE1 C 13 117.196 0.300 . 1 . . . . 44 TYR CE1 . 11229 1 497 . 1 1 44 44 TYR CE2 C 13 117.196 0.300 . 1 . . . . 44 TYR CE2 . 11229 1 498 . 1 1 44 44 TYR N N 15 120.597 0.300 . 1 . . . . 44 TYR N . 11229 1 499 . 1 1 45 45 LYS H H 1 9.280 0.030 . 1 . . . . 45 LYS H . 11229 1 500 . 1 1 45 45 LYS HA H 1 4.728 0.030 . 1 . . . . 45 LYS HA . 11229 1 501 . 1 1 45 45 LYS HB2 H 1 1.559 0.030 . 2 . . . . 45 LYS HB2 . 11229 1 502 . 1 1 45 45 LYS HB3 H 1 1.166 0.030 . 2 . . . . 45 LYS HB3 . 11229 1 503 . 1 1 45 45 LYS HD2 H 1 1.140 0.030 . 2 . . . . 45 LYS HD2 . 11229 1 504 . 1 1 45 45 LYS HD3 H 1 1.337 0.030 . 2 . . . . 45 LYS HD3 . 11229 1 505 . 1 1 45 45 LYS HE2 H 1 2.578 0.030 . 2 . . . . 45 LYS HE2 . 11229 1 506 . 1 1 45 45 LYS HE3 H 1 2.668 0.030 . 2 . . . . 45 LYS HE3 . 11229 1 507 . 1 1 45 45 LYS HG2 H 1 -0.297 0.030 . 2 . . . . 45 LYS HG2 . 11229 1 508 . 1 1 45 45 LYS HG3 H 1 0.619 0.030 . 2 . . . . 45 LYS HG3 . 11229 1 509 . 1 1 45 45 LYS C C 13 176.958 0.300 . 1 . . . . 45 LYS C . 11229 1 510 . 1 1 45 45 LYS CA C 13 54.983 0.300 . 1 . . . . 45 LYS CA . 11229 1 511 . 1 1 45 45 LYS CB C 13 34.879 0.300 . 1 . . . . 45 LYS CB . 11229 1 512 . 1 1 45 45 LYS CD C 13 29.088 0.300 . 1 . . . . 45 LYS CD . 11229 1 513 . 1 1 45 45 LYS CE C 13 43.287 0.300 . 1 . . . . 45 LYS CE . 11229 1 514 . 1 1 45 45 LYS CG C 13 24.772 0.300 . 1 . . . . 45 LYS CG . 11229 1 515 . 1 1 45 45 LYS N N 15 120.531 0.300 . 1 . . . . 45 LYS N . 11229 1 516 . 1 1 46 46 ASP H H 1 9.827 0.030 . 1 . . . . 46 ASP H . 11229 1 517 . 1 1 46 46 ASP HA H 1 4.496 0.030 . 1 . . . . 46 ASP HA . 11229 1 518 . 1 1 46 46 ASP HB2 H 1 2.897 0.030 . 2 . . . . 46 ASP HB2 . 11229 1 519 . 1 1 46 46 ASP HB3 H 1 2.726 0.030 . 2 . . . . 46 ASP HB3 . 11229 1 520 . 1 1 46 46 ASP C C 13 176.494 0.300 . 1 . . . . 46 ASP C . 11229 1 521 . 1 1 46 46 ASP CA C 13 55.901 0.300 . 1 . . . . 46 ASP CA . 11229 1 522 . 1 1 46 46 ASP CB C 13 39.995 0.300 . 1 . . . . 46 ASP CB . 11229 1 523 . 1 1 46 46 ASP N N 15 130.020 0.300 . 1 . . . . 46 ASP N . 11229 1 524 . 1 1 47 47 GLY H H 1 8.657 0.030 . 1 . . . . 47 GLY H . 11229 1 525 . 1 1 47 47 GLY HA2 H 1 3.633 0.030 . 2 . . . . 47 GLY HA2 . 11229 1 526 . 1 1 47 47 GLY HA3 H 1 4.309 0.030 . 2 . . . . 47 GLY HA3 . 11229 1 527 . 1 1 47 47 GLY C C 13 174.156 0.300 . 1 . . . . 47 GLY C . 11229 1 528 . 1 1 47 47 GLY CA C 13 45.481 0.300 . 1 . . . . 47 GLY CA . 11229 1 529 . 1 1 47 47 GLY N N 15 102.144 0.300 . 1 . . . . 47 GLY N . 11229 1 530 . 1 1 48 48 GLN H H 1 8.101 0.030 . 1 . . . . 48 GLN H . 11229 1 531 . 1 1 48 48 GLN HA H 1 4.919 0.030 . 1 . . . . 48 GLN HA . 11229 1 532 . 1 1 48 48 GLN HB2 H 1 2.206 0.030 . 2 . . . . 48 GLN HB2 . 11229 1 533 . 1 1 48 48 GLN HB3 H 1 2.070 0.030 . 2 . . . . 48 GLN HB3 . 11229 1 534 . 1 1 48 48 GLN HE21 H 1 6.894 0.030 . 2 . . . . 48 GLN HE21 . 11229 1 535 . 1 1 48 48 GLN HE22 H 1 7.655 0.030 . 2 . . . . 48 GLN HE22 . 11229 1 536 . 1 1 48 48 GLN HG2 H 1 2.463 0.030 . 2 . . . . 48 GLN HG2 . 11229 1 537 . 1 1 48 48 GLN HG3 H 1 2.400 0.030 . 2 . . . . 48 GLN HG3 . 11229 1 538 . 1 1 48 48 GLN C C 13 175.010 0.300 . 1 . . . . 48 GLN C . 11229 1 539 . 1 1 48 48 GLN CA C 13 53.800 0.300 . 1 . . . . 48 GLN CA . 11229 1 540 . 1 1 48 48 GLN CB C 13 31.072 0.300 . 1 . . . . 48 GLN CB . 11229 1 541 . 1 1 48 48 GLN CG C 13 33.521 0.300 . 1 . . . . 48 GLN CG . 11229 1 542 . 1 1 48 48 GLN N N 15 120.485 0.300 . 1 . . . . 48 GLN N . 11229 1 543 . 1 1 48 48 GLN NE2 N 15 112.717 0.300 . 1 . . . . 48 GLN NE2 . 11229 1 544 . 1 1 49 49 LYS H H 1 9.009 0.030 . 1 . . . . 49 LYS H . 11229 1 545 . 1 1 49 49 LYS HA H 1 3.557 0.030 . 1 . . . . 49 LYS HA . 11229 1 546 . 1 1 49 49 LYS HB2 H 1 1.478 0.030 . 2 . . . . 49 LYS HB2 . 11229 1 547 . 1 1 49 49 LYS HB3 H 1 1.617 0.030 . 2 . . . . 49 LYS HB3 . 11229 1 548 . 1 1 49 49 LYS HD2 H 1 1.608 0.030 . 2 . . . . 49 LYS HD2 . 11229 1 549 . 1 1 49 49 LYS HD3 H 1 1.669 0.030 . 2 . . . . 49 LYS HD3 . 11229 1 550 . 1 1 49 49 LYS HE2 H 1 3.029 0.030 . 2 . . . . 49 LYS HE2 . 11229 1 551 . 1 1 49 49 LYS HE3 H 1 3.055 0.030 . 2 . . . . 49 LYS HE3 . 11229 1 552 . 1 1 49 49 LYS HG2 H 1 1.300 0.030 . 2 . . . . 49 LYS HG2 . 11229 1 553 . 1 1 49 49 LYS HG3 H 1 1.129 0.030 . 2 . . . . 49 LYS HG3 . 11229 1 554 . 1 1 49 49 LYS C C 13 177.728 0.300 . 1 . . . . 49 LYS C . 11229 1 555 . 1 1 49 49 LYS CA C 13 57.852 0.300 . 1 . . . . 49 LYS CA . 11229 1 556 . 1 1 49 49 LYS CB C 13 32.374 0.300 . 1 . . . . 49 LYS CB . 11229 1 557 . 1 1 49 49 LYS CD C 13 29.637 0.300 . 1 . . . . 49 LYS CD . 11229 1 558 . 1 1 49 49 LYS CE C 13 42.042 0.300 . 1 . . . . 49 LYS CE . 11229 1 559 . 1 1 49 49 LYS CG C 13 24.631 0.300 . 1 . . . . 49 LYS CG . 11229 1 560 . 1 1 49 49 LYS N N 15 128.554 0.300 . 1 . . . . 49 LYS N . 11229 1 561 . 1 1 50 50 VAL H H 1 8.140 0.030 . 1 . . . . 50 VAL H . 11229 1 562 . 1 1 50 50 VAL HA H 1 4.159 0.030 . 1 . . . . 50 VAL HA . 11229 1 563 . 1 1 50 50 VAL HB H 1 2.133 0.030 . 1 . . . . 50 VAL HB . 11229 1 564 . 1 1 50 50 VAL HG11 H 1 0.945 0.030 . 1 . . . . 50 VAL HG1 . 11229 1 565 . 1 1 50 50 VAL HG12 H 1 0.945 0.030 . 1 . . . . 50 VAL HG1 . 11229 1 566 . 1 1 50 50 VAL HG13 H 1 0.945 0.030 . 1 . . . . 50 VAL HG1 . 11229 1 567 . 1 1 50 50 VAL HG21 H 1 0.843 0.030 . 1 . . . . 50 VAL HG2 . 11229 1 568 . 1 1 50 50 VAL HG22 H 1 0.843 0.030 . 1 . . . . 50 VAL HG2 . 11229 1 569 . 1 1 50 50 VAL HG23 H 1 0.843 0.030 . 1 . . . . 50 VAL HG2 . 11229 1 570 . 1 1 50 50 VAL C C 13 175.528 0.300 . 1 . . . . 50 VAL C . 11229 1 571 . 1 1 50 50 VAL CA C 13 62.208 0.300 . 1 . . . . 50 VAL CA . 11229 1 572 . 1 1 50 50 VAL CB C 13 32.050 0.300 . 1 . . . . 50 VAL CB . 11229 1 573 . 1 1 50 50 VAL CG1 C 13 21.978 0.300 . 2 . . . . 50 VAL CG1 . 11229 1 574 . 1 1 50 50 VAL CG2 C 13 19.457 0.300 . 2 . . . . 50 VAL CG2 . 11229 1 575 . 1 1 50 50 VAL N N 15 120.485 0.300 . 1 . . . . 50 VAL N . 11229 1 576 . 1 1 51 51 GLU H H 1 8.571 0.030 . 1 . . . . 51 GLU H . 11229 1 577 . 1 1 51 51 GLU HA H 1 4.534 0.030 . 1 . . . . 51 GLU HA . 11229 1 578 . 1 1 51 51 GLU HB2 H 1 1.996 0.030 . 2 . . . . 51 GLU HB2 . 11229 1 579 . 1 1 51 51 GLU HB3 H 1 1.877 0.030 . 2 . . . . 51 GLU HB3 . 11229 1 580 . 1 1 51 51 GLU HG2 H 1 2.281 0.030 . 2 . . . . 51 GLU HG2 . 11229 1 581 . 1 1 51 51 GLU HG3 H 1 2.181 0.030 . 2 . . . . 51 GLU HG3 . 11229 1 582 . 1 1 51 51 GLU C C 13 175.417 0.300 . 1 . . . . 51 GLU C . 11229 1 583 . 1 1 51 51 GLU CA C 13 54.560 0.300 . 1 . . . . 51 GLU CA . 11229 1 584 . 1 1 51 51 GLU CB C 13 30.720 0.300 . 1 . . . . 51 GLU CB . 11229 1 585 . 1 1 51 51 GLU CG C 13 36.022 0.300 . 1 . . . . 51 GLU CG . 11229 1 586 . 1 1 51 51 GLU N N 15 123.661 0.300 . 1 . . . . 51 GLU N . 11229 1 587 . 1 1 52 52 GLU H H 1 8.656 0.030 . 1 . . . . 52 GLU H . 11229 1 588 . 1 1 52 52 GLU HA H 1 4.486 0.030 . 1 . . . . 52 GLU HA . 11229 1 589 . 1 1 52 52 GLU HB2 H 1 2.315 0.030 . 2 . . . . 52 GLU HB2 . 11229 1 590 . 1 1 52 52 GLU HB3 H 1 1.918 0.030 . 2 . . . . 52 GLU HB3 . 11229 1 591 . 1 1 52 52 GLU HG2 H 1 2.205 0.030 . 1 . . . . 52 GLU HG2 . 11229 1 592 . 1 1 52 52 GLU HG3 H 1 2.205 0.030 . 1 . . . . 52 GLU HG3 . 11229 1 593 . 1 1 52 52 GLU C C 13 176.633 0.300 . 1 . . . . 52 GLU C . 11229 1 594 . 1 1 52 52 GLU CA C 13 57.154 0.300 . 1 . . . . 52 GLU CA . 11229 1 595 . 1 1 52 52 GLU CB C 13 31.124 0.300 . 1 . . . . 52 GLU CB . 11229 1 596 . 1 1 52 52 GLU CG C 13 38.277 0.300 . 1 . . . . 52 GLU CG . 11229 1 597 . 1 1 52 52 GLU N N 15 125.059 0.300 . 1 . . . . 52 GLU N . 11229 1 598 . 1 1 53 53 SER H H 1 9.518 0.030 . 1 . . . . 53 SER H . 11229 1 599 . 1 1 53 53 SER HA H 1 4.724 0.030 . 1 . . . . 53 SER HA . 11229 1 600 . 1 1 53 53 SER HB2 H 1 4.174 0.030 . 2 . . . . 53 SER HB2 . 11229 1 601 . 1 1 53 53 SER HB3 H 1 4.018 0.030 . 2 . . . . 53 SER HB3 . 11229 1 602 . 1 1 53 53 SER C C 13 175.220 0.300 . 1 . . . . 53 SER C . 11229 1 603 . 1 1 53 53 SER CA C 13 58.362 0.300 . 1 . . . . 53 SER CA . 11229 1 604 . 1 1 53 53 SER CB C 13 65.217 0.300 . 1 . . . . 53 SER CB . 11229 1 605 . 1 1 53 53 SER N N 15 117.813 0.300 . 1 . . . . 53 SER N . 11229 1 606 . 1 1 54 54 GLU H H 1 9.277 0.030 . 1 . . . . 54 GLU H . 11229 1 607 . 1 1 54 54 GLU HA H 1 4.147 0.030 . 1 . . . . 54 GLU HA . 11229 1 608 . 1 1 54 54 GLU HB2 H 1 2.060 0.030 . 2 . . . . 54 GLU HB2 . 11229 1 609 . 1 1 54 54 GLU HB3 H 1 2.002 0.030 . 2 . . . . 54 GLU HB3 . 11229 1 610 . 1 1 54 54 GLU HG2 H 1 2.355 0.030 . 2 . . . . 54 GLU HG2 . 11229 1 611 . 1 1 54 54 GLU HG3 H 1 2.290 0.030 . 2 . . . . 54 GLU HG3 . 11229 1 612 . 1 1 54 54 GLU C C 13 176.703 0.300 . 1 . . . . 54 GLU C . 11229 1 613 . 1 1 54 54 GLU CA C 13 59.022 0.300 . 1 . . . . 54 GLU CA . 11229 1 614 . 1 1 54 54 GLU CB C 13 28.880 0.300 . 1 . . . . 54 GLU CB . 11229 1 615 . 1 1 54 54 GLU CG C 13 36.462 0.300 . 1 . . . . 54 GLU CG . 11229 1 616 . 1 1 54 54 GLU N N 15 119.518 0.300 . 1 . . . . 54 GLU N . 11229 1 617 . 1 1 55 55 LEU H H 1 7.986 0.030 . 1 . . . . 55 LEU H . 11229 1 618 . 1 1 55 55 LEU HA H 1 4.352 0.030 . 1 . . . . 55 LEU HA . 11229 1 619 . 1 1 55 55 LEU HB2 H 1 1.390 0.030 . 2 . . . . 55 LEU HB2 . 11229 1 620 . 1 1 55 55 LEU HB3 H 1 1.832 0.030 . 2 . . . . 55 LEU HB3 . 11229 1 621 . 1 1 55 55 LEU HD11 H 1 0.901 0.030 . 1 . . . . 55 LEU HD1 . 11229 1 622 . 1 1 55 55 LEU HD12 H 1 0.901 0.030 . 1 . . . . 55 LEU HD1 . 11229 1 623 . 1 1 55 55 LEU HD13 H 1 0.901 0.030 . 1 . . . . 55 LEU HD1 . 11229 1 624 . 1 1 55 55 LEU HD21 H 1 0.839 0.030 . 1 . . . . 55 LEU HD2 . 11229 1 625 . 1 1 55 55 LEU HD22 H 1 0.839 0.030 . 1 . . . . 55 LEU HD2 . 11229 1 626 . 1 1 55 55 LEU HD23 H 1 0.839 0.030 . 1 . . . . 55 LEU HD2 . 11229 1 627 . 1 1 55 55 LEU HG H 1 1.530 0.030 . 1 . . . . 55 LEU HG . 11229 1 628 . 1 1 55 55 LEU C C 13 176.319 0.300 . 1 . . . . 55 LEU C . 11229 1 629 . 1 1 55 55 LEU CA C 13 54.002 0.300 . 1 . . . . 55 LEU CA . 11229 1 630 . 1 1 55 55 LEU CB C 13 42.375 0.300 . 1 . . . . 55 LEU CB . 11229 1 631 . 1 1 55 55 LEU CD1 C 13 25.478 0.300 . 2 . . . . 55 LEU CD1 . 11229 1 632 . 1 1 55 55 LEU CD2 C 13 22.461 0.300 . 2 . . . . 55 LEU CD2 . 11229 1 633 . 1 1 55 55 LEU CG C 13 27.041 0.300 . 1 . . . . 55 LEU CG . 11229 1 634 . 1 1 55 55 LEU N N 15 115.769 0.300 . 1 . . . . 55 LEU N . 11229 1 635 . 1 1 56 56 LEU H H 1 7.220 0.030 . 1 . . . . 56 LEU H . 11229 1 636 . 1 1 56 56 LEU HA H 1 4.631 0.030 . 1 . . . . 56 LEU HA . 11229 1 637 . 1 1 56 56 LEU HB2 H 1 1.456 0.030 . 2 . . . . 56 LEU HB2 . 11229 1 638 . 1 1 56 56 LEU HB3 H 1 1.821 0.030 . 2 . . . . 56 LEU HB3 . 11229 1 639 . 1 1 56 56 LEU HD11 H 1 0.911 0.030 . 1 . . . . 56 LEU HD1 . 11229 1 640 . 1 1 56 56 LEU HD12 H 1 0.911 0.030 . 1 . . . . 56 LEU HD1 . 11229 1 641 . 1 1 56 56 LEU HD13 H 1 0.911 0.030 . 1 . . . . 56 LEU HD1 . 11229 1 642 . 1 1 56 56 LEU HD21 H 1 0.545 0.030 . 1 . . . . 56 LEU HD2 . 11229 1 643 . 1 1 56 56 LEU HD22 H 1 0.545 0.030 . 1 . . . . 56 LEU HD2 . 11229 1 644 . 1 1 56 56 LEU HD23 H 1 0.545 0.030 . 1 . . . . 56 LEU HD2 . 11229 1 645 . 1 1 56 56 LEU HG H 1 1.365 0.030 . 1 . . . . 56 LEU HG . 11229 1 646 . 1 1 56 56 LEU C C 13 173.169 0.300 . 1 . . . . 56 LEU C . 11229 1 647 . 1 1 56 56 LEU CA C 13 58.194 0.300 . 1 . . . . 56 LEU CA . 11229 1 648 . 1 1 56 56 LEU CB C 13 42.744 0.300 . 1 . . . . 56 LEU CB . 11229 1 649 . 1 1 56 56 LEU CD1 C 13 26.456 0.300 . 2 . . . . 56 LEU CD1 . 11229 1 650 . 1 1 56 56 LEU CD2 C 13 24.346 0.300 . 2 . . . . 56 LEU CD2 . 11229 1 651 . 1 1 56 56 LEU CG C 13 28.756 0.300 . 1 . . . . 56 LEU CG . 11229 1 652 . 1 1 56 56 LEU N N 15 125.598 0.300 . 1 . . . . 56 LEU N . 11229 1 653 . 1 1 57 57 VAL H H 1 9.114 0.030 . 1 . . . . 57 VAL H . 11229 1 654 . 1 1 57 57 VAL HA H 1 4.467 0.030 . 1 . . . . 57 VAL HA . 11229 1 655 . 1 1 57 57 VAL HB H 1 1.852 0.030 . 1 . . . . 57 VAL HB . 11229 1 656 . 1 1 57 57 VAL HG11 H 1 0.843 0.030 . 1 . . . . 57 VAL HG1 . 11229 1 657 . 1 1 57 57 VAL HG12 H 1 0.843 0.030 . 1 . . . . 57 VAL HG1 . 11229 1 658 . 1 1 57 57 VAL HG13 H 1 0.843 0.030 . 1 . . . . 57 VAL HG1 . 11229 1 659 . 1 1 57 57 VAL HG21 H 1 0.836 0.030 . 1 . . . . 57 VAL HG2 . 11229 1 660 . 1 1 57 57 VAL HG22 H 1 0.836 0.030 . 1 . . . . 57 VAL HG2 . 11229 1 661 . 1 1 57 57 VAL HG23 H 1 0.836 0.030 . 1 . . . . 57 VAL HG2 . 11229 1 662 . 1 1 57 57 VAL C C 13 174.165 0.300 . 1 . . . . 57 VAL C . 11229 1 663 . 1 1 57 57 VAL CA C 13 60.670 0.300 . 1 . . . . 57 VAL CA . 11229 1 664 . 1 1 57 57 VAL CB C 13 35.042 0.300 . 1 . . . . 57 VAL CB . 11229 1 665 . 1 1 57 57 VAL CG1 C 13 21.345 0.300 . 2 . . . . 57 VAL CG1 . 11229 1 666 . 1 1 57 57 VAL CG2 C 13 20.256 0.300 . 2 . . . . 57 VAL CG2 . 11229 1 667 . 1 1 57 57 VAL N N 15 127.615 0.300 . 1 . . . . 57 VAL N . 11229 1 668 . 1 1 58 58 VAL H H 1 8.519 0.030 . 1 . . . . 58 VAL H . 11229 1 669 . 1 1 58 58 VAL HA H 1 4.772 0.030 . 1 . . . . 58 VAL HA . 11229 1 670 . 1 1 58 58 VAL HB H 1 1.819 0.030 . 1 . . . . 58 VAL HB . 11229 1 671 . 1 1 58 58 VAL HG11 H 1 0.925 0.030 . 1 . . . . 58 VAL HG1 . 11229 1 672 . 1 1 58 58 VAL HG12 H 1 0.925 0.030 . 1 . . . . 58 VAL HG1 . 11229 1 673 . 1 1 58 58 VAL HG13 H 1 0.925 0.030 . 1 . . . . 58 VAL HG1 . 11229 1 674 . 1 1 58 58 VAL HG21 H 1 0.670 0.030 . 1 . . . . 58 VAL HG2 . 11229 1 675 . 1 1 58 58 VAL HG22 H 1 0.670 0.030 . 1 . . . . 58 VAL HG2 . 11229 1 676 . 1 1 58 58 VAL HG23 H 1 0.670 0.030 . 1 . . . . 58 VAL HG2 . 11229 1 677 . 1 1 58 58 VAL C C 13 176.067 0.300 . 1 . . . . 58 VAL C . 11229 1 678 . 1 1 58 58 VAL CA C 13 60.587 0.300 . 1 . . . . 58 VAL CA . 11229 1 679 . 1 1 58 58 VAL CB C 13 34.183 0.300 . 1 . . . . 58 VAL CB . 11229 1 680 . 1 1 58 58 VAL CG1 C 13 22.439 0.300 . 2 . . . . 58 VAL CG1 . 11229 1 681 . 1 1 58 58 VAL CG2 C 13 20.540 0.300 . 2 . . . . 58 VAL CG2 . 11229 1 682 . 1 1 58 58 VAL N N 15 125.068 0.300 . 1 . . . . 58 VAL N . 11229 1 683 . 1 1 59 59 LYS H H 1 9.188 0.030 . 1 . . . . 59 LYS H . 11229 1 684 . 1 1 59 59 LYS HA H 1 4.840 0.030 . 1 . . . . 59 LYS HA . 11229 1 685 . 1 1 59 59 LYS HB2 H 1 1.464 0.030 . 2 . . . . 59 LYS HB2 . 11229 1 686 . 1 1 59 59 LYS HB3 H 1 1.771 0.030 . 2 . . . . 59 LYS HB3 . 11229 1 687 . 1 1 59 59 LYS HD2 H 1 1.563 0.030 . 2 . . . . 59 LYS HD2 . 11229 1 688 . 1 1 59 59 LYS HD3 H 1 1.633 0.030 . 2 . . . . 59 LYS HD3 . 11229 1 689 . 1 1 59 59 LYS HE2 H 1 2.791 0.030 . 2 . . . . 59 LYS HE2 . 11229 1 690 . 1 1 59 59 LYS HE3 H 1 2.893 0.030 . 2 . . . . 59 LYS HE3 . 11229 1 691 . 1 1 59 59 LYS HG2 H 1 1.214 0.030 . 1 . . . . 59 LYS HG2 . 11229 1 692 . 1 1 59 59 LYS HG3 H 1 1.214 0.030 . 1 . . . . 59 LYS HG3 . 11229 1 693 . 1 1 59 59 LYS C C 13 175.693 0.300 . 1 . . . . 59 LYS C . 11229 1 694 . 1 1 59 59 LYS CA C 13 54.110 0.300 . 1 . . . . 59 LYS CA . 11229 1 695 . 1 1 59 59 LYS CB C 13 37.596 0.300 . 1 . . . . 59 LYS CB . 11229 1 696 . 1 1 59 59 LYS CD C 13 28.711 0.300 . 1 . . . . 59 LYS CD . 11229 1 697 . 1 1 59 59 LYS CE C 13 41.896 0.300 . 1 . . . . 59 LYS CE . 11229 1 698 . 1 1 59 59 LYS CG C 13 24.468 0.300 . 1 . . . . 59 LYS CG . 11229 1 699 . 1 1 59 59 LYS N N 15 124.208 0.300 . 1 . . . . 59 LYS N . 11229 1 700 . 1 1 60 60 MET H H 1 8.725 0.030 . 1 . . . . 60 MET H . 11229 1 701 . 1 1 60 60 MET HA H 1 4.593 0.030 . 1 . . . . 60 MET HA . 11229 1 702 . 1 1 60 60 MET HB2 H 1 2.055 0.030 . 2 . . . . 60 MET HB2 . 11229 1 703 . 1 1 60 60 MET HB3 H 1 1.677 0.030 . 2 . . . . 60 MET HB3 . 11229 1 704 . 1 1 60 60 MET HE1 H 1 2.016 0.030 . 1 . . . . 60 MET HE . 11229 1 705 . 1 1 60 60 MET HE2 H 1 2.016 0.030 . 1 . . . . 60 MET HE . 11229 1 706 . 1 1 60 60 MET HE3 H 1 2.016 0.030 . 1 . . . . 60 MET HE . 11229 1 707 . 1 1 60 60 MET HG2 H 1 2.174 0.030 . 2 . . . . 60 MET HG2 . 11229 1 708 . 1 1 60 60 MET HG3 H 1 1.666 0.030 . 2 . . . . 60 MET HG3 . 11229 1 709 . 1 1 60 60 MET C C 13 173.776 0.300 . 1 . . . . 60 MET C . 11229 1 710 . 1 1 60 60 MET CA C 13 55.445 0.300 . 1 . . . . 60 MET CA . 11229 1 711 . 1 1 60 60 MET CB C 13 35.279 0.300 . 1 . . . . 60 MET CB . 11229 1 712 . 1 1 60 60 MET CE C 13 16.336 0.300 . 1 . . . . 60 MET CE . 11229 1 713 . 1 1 60 60 MET CG C 13 30.552 0.300 . 1 . . . . 60 MET CG . 11229 1 714 . 1 1 60 60 MET N N 15 125.033 0.300 . 1 . . . . 60 MET N . 11229 1 715 . 1 1 61 61 ASP H H 1 8.903 0.030 . 1 . . . . 61 ASP H . 11229 1 716 . 1 1 61 61 ASP HA H 1 4.806 0.030 . 1 . . . . 61 ASP HA . 11229 1 717 . 1 1 61 61 ASP HB2 H 1 2.599 0.030 . 2 . . . . 61 ASP HB2 . 11229 1 718 . 1 1 61 61 ASP HB3 H 1 2.429 0.030 . 2 . . . . 61 ASP HB3 . 11229 1 719 . 1 1 61 61 ASP C C 13 175.902 0.300 . 1 . . . . 61 ASP C . 11229 1 720 . 1 1 61 61 ASP CA C 13 52.674 0.300 . 1 . . . . 61 ASP CA . 11229 1 721 . 1 1 61 61 ASP CB C 13 42.219 0.300 . 1 . . . . 61 ASP CB . 11229 1 722 . 1 1 61 61 ASP N N 15 126.726 0.300 . 1 . . . . 61 ASP N . 11229 1 723 . 1 1 62 62 GLY H H 1 9.281 0.030 . 1 . . . . 62 GLY H . 11229 1 724 . 1 1 62 62 GLY HA2 H 1 4.121 0.030 . 2 . . . . 62 GLY HA2 . 11229 1 725 . 1 1 62 62 GLY HA3 H 1 3.694 0.030 . 2 . . . . 62 GLY HA3 . 11229 1 726 . 1 1 62 62 GLY C C 13 175.924 0.300 . 1 . . . . 62 GLY C . 11229 1 727 . 1 1 62 62 GLY CA C 13 47.561 0.300 . 1 . . . . 62 GLY CA . 11229 1 728 . 1 1 62 62 GLY N N 15 116.261 0.300 . 1 . . . . 62 GLY N . 11229 1 729 . 1 1 63 63 ARG H H 1 9.507 0.030 . 1 . . . . 63 ARG H . 11229 1 730 . 1 1 63 63 ARG HA H 1 4.432 0.030 . 1 . . . . 63 ARG HA . 11229 1 731 . 1 1 63 63 ARG HB2 H 1 2.634 0.030 . 2 . . . . 63 ARG HB2 . 11229 1 732 . 1 1 63 63 ARG HB3 H 1 1.878 0.030 . 2 . . . . 63 ARG HB3 . 11229 1 733 . 1 1 63 63 ARG HD2 H 1 3.291 0.030 . 1 . . . . 63 ARG HD2 . 11229 1 734 . 1 1 63 63 ARG HD3 H 1 3.291 0.030 . 1 . . . . 63 ARG HD3 . 11229 1 735 . 1 1 63 63 ARG HG2 H 1 1.732 0.030 . 2 . . . . 63 ARG HG2 . 11229 1 736 . 1 1 63 63 ARG HG3 H 1 1.162 0.030 . 2 . . . . 63 ARG HG3 . 11229 1 737 . 1 1 63 63 ARG C C 13 175.322 0.300 . 1 . . . . 63 ARG C . 11229 1 738 . 1 1 63 63 ARG CA C 13 58.017 0.300 . 1 . . . . 63 ARG CA . 11229 1 739 . 1 1 63 63 ARG CB C 13 31.042 0.300 . 1 . . . . 63 ARG CB . 11229 1 740 . 1 1 63 63 ARG CD C 13 42.909 0.300 . 1 . . . . 63 ARG CD . 11229 1 741 . 1 1 63 63 ARG CG C 13 29.097 0.300 . 1 . . . . 63 ARG CG . 11229 1 742 . 1 1 64 64 LYS H H 1 8.049 0.030 . 1 . . . . 64 LYS H . 11229 1 743 . 1 1 64 64 LYS HA H 1 4.876 0.030 . 1 . . . . 64 LYS HA . 11229 1 744 . 1 1 64 64 LYS HB2 H 1 1.477 0.030 . 2 . . . . 64 LYS HB2 . 11229 1 745 . 1 1 64 64 LYS HB3 H 1 2.082 0.030 . 2 . . . . 64 LYS HB3 . 11229 1 746 . 1 1 64 64 LYS HD2 H 1 1.608 0.030 . 2 . . . . 64 LYS HD2 . 11229 1 747 . 1 1 64 64 LYS HD3 H 1 1.670 0.030 . 2 . . . . 64 LYS HD3 . 11229 1 748 . 1 1 64 64 LYS HE2 H 1 2.940 0.030 . 1 . . . . 64 LYS HE2 . 11229 1 749 . 1 1 64 64 LYS HE3 H 1 2.940 0.030 . 1 . . . . 64 LYS HE3 . 11229 1 750 . 1 1 64 64 LYS HG2 H 1 1.159 0.030 . 2 . . . . 64 LYS HG2 . 11229 1 751 . 1 1 64 64 LYS HG3 H 1 1.559 0.030 . 2 . . . . 64 LYS HG3 . 11229 1 752 . 1 1 64 64 LYS C C 13 174.824 0.300 . 1 . . . . 64 LYS C . 11229 1 753 . 1 1 64 64 LYS CA C 13 56.665 0.300 . 1 . . . . 64 LYS CA . 11229 1 754 . 1 1 64 64 LYS CB C 13 34.161 0.300 . 1 . . . . 64 LYS CB . 11229 1 755 . 1 1 64 64 LYS CD C 13 29.640 0.300 . 1 . . . . 64 LYS CD . 11229 1 756 . 1 1 64 64 LYS CE C 13 42.024 0.300 . 1 . . . . 64 LYS CE . 11229 1 757 . 1 1 64 64 LYS CG C 13 26.519 0.300 . 1 . . . . 64 LYS CG . 11229 1 758 . 1 1 64 64 LYS N N 15 117.140 0.300 . 1 . . . . 64 LYS N . 11229 1 759 . 1 1 65 65 HIS H H 1 9.600 0.030 . 1 . . . . 65 HIS H . 11229 1 760 . 1 1 65 65 HIS HA H 1 4.920 0.030 . 1 . . . . 65 HIS HA . 11229 1 761 . 1 1 65 65 HIS HB2 H 1 3.304 0.030 . 2 . . . . 65 HIS HB2 . 11229 1 762 . 1 1 65 65 HIS HB3 H 1 3.219 0.030 . 2 . . . . 65 HIS HB3 . 11229 1 763 . 1 1 65 65 HIS HD2 H 1 6.845 0.030 . 1 . . . . 65 HIS HD2 . 11229 1 764 . 1 1 65 65 HIS HE1 H 1 8.000 0.030 . 1 . . . . 65 HIS HE1 . 11229 1 765 . 1 1 65 65 HIS C C 13 175.003 0.300 . 1 . . . . 65 HIS C . 11229 1 766 . 1 1 65 65 HIS CA C 13 56.612 0.300 . 1 . . . . 65 HIS CA . 11229 1 767 . 1 1 65 65 HIS CB C 13 34.452 0.300 . 1 . . . . 65 HIS CB . 11229 1 768 . 1 1 65 65 HIS CD2 C 13 115.752 0.300 . 1 . . . . 65 HIS CD2 . 11229 1 769 . 1 1 65 65 HIS CE1 C 13 138.746 0.300 . 1 . . . . 65 HIS CE1 . 11229 1 770 . 1 1 65 65 HIS N N 15 126.919 0.300 . 1 . . . . 65 HIS N . 11229 1 771 . 1 1 66 66 ARG H H 1 9.058 0.030 . 1 . . . . 66 ARG H . 11229 1 772 . 1 1 66 66 ARG HA H 1 5.935 0.030 . 1 . . . . 66 ARG HA . 11229 1 773 . 1 1 66 66 ARG HB2 H 1 1.388 0.030 . 2 . . . . 66 ARG HB2 . 11229 1 774 . 1 1 66 66 ARG HB3 H 1 1.300 0.030 . 2 . . . . 66 ARG HB3 . 11229 1 775 . 1 1 66 66 ARG HD2 H 1 2.873 0.030 . 1 . . . . 66 ARG HD2 . 11229 1 776 . 1 1 66 66 ARG HD3 H 1 2.873 0.030 . 1 . . . . 66 ARG HD3 . 11229 1 777 . 1 1 66 66 ARG HG2 H 1 1.722 0.030 . 2 . . . . 66 ARG HG2 . 11229 1 778 . 1 1 66 66 ARG HG3 H 1 1.353 0.030 . 2 . . . . 66 ARG HG3 . 11229 1 779 . 1 1 66 66 ARG C C 13 172.932 0.300 . 1 . . . . 66 ARG C . 11229 1 780 . 1 1 66 66 ARG CA C 13 53.802 0.300 . 1 . . . . 66 ARG CA . 11229 1 781 . 1 1 66 66 ARG CB C 13 35.423 0.300 . 1 . . . . 66 ARG CB . 11229 1 782 . 1 1 66 66 ARG CD C 13 44.118 0.300 . 1 . . . . 66 ARG CD . 11229 1 783 . 1 1 66 66 ARG CG C 13 28.177 0.300 . 1 . . . . 66 ARG CG . 11229 1 784 . 1 1 66 66 ARG N N 15 121.524 0.300 . 1 . . . . 66 ARG N . 11229 1 785 . 1 1 67 67 LEU H H 1 7.950 0.030 . 1 . . . . 67 LEU H . 11229 1 786 . 1 1 67 67 LEU HA H 1 4.365 0.030 . 1 . . . . 67 LEU HA . 11229 1 787 . 1 1 67 67 LEU HB2 H 1 -1.065 0.030 . 2 . . . . 67 LEU HB2 . 11229 1 788 . 1 1 67 67 LEU HB3 H 1 -0.101 0.030 . 2 . . . . 67 LEU HB3 . 11229 1 789 . 1 1 67 67 LEU HD11 H 1 0.378 0.030 . 1 . . . . 67 LEU HD1 . 11229 1 790 . 1 1 67 67 LEU HD12 H 1 0.378 0.030 . 1 . . . . 67 LEU HD1 . 11229 1 791 . 1 1 67 67 LEU HD13 H 1 0.378 0.030 . 1 . . . . 67 LEU HD1 . 11229 1 792 . 1 1 67 67 LEU HD21 H 1 0.017 0.030 . 1 . . . . 67 LEU HD2 . 11229 1 793 . 1 1 67 67 LEU HD22 H 1 0.017 0.030 . 1 . . . . 67 LEU HD2 . 11229 1 794 . 1 1 67 67 LEU HD23 H 1 0.017 0.030 . 1 . . . . 67 LEU HD2 . 11229 1 795 . 1 1 67 67 LEU HG H 1 0.808 0.030 . 1 . . . . 67 LEU HG . 11229 1 796 . 1 1 67 67 LEU C C 13 174.656 0.300 . 1 . . . . 67 LEU C . 11229 1 797 . 1 1 67 67 LEU CA C 13 53.856 0.300 . 1 . . . . 67 LEU CA . 11229 1 798 . 1 1 67 67 LEU CB C 13 41.410 0.300 . 1 . . . . 67 LEU CB . 11229 1 799 . 1 1 67 67 LEU CD1 C 13 27.394 0.300 . 2 . . . . 67 LEU CD1 . 11229 1 800 . 1 1 67 67 LEU CD2 C 13 23.922 0.300 . 2 . . . . 67 LEU CD2 . 11229 1 801 . 1 1 67 67 LEU CG C 13 27.287 0.300 . 1 . . . . 67 LEU CG . 11229 1 802 . 1 1 67 67 LEU N N 15 125.001 0.300 . 1 . . . . 67 LEU N . 11229 1 803 . 1 1 68 68 ILE H H 1 9.370 0.030 . 1 . . . . 68 ILE H . 11229 1 804 . 1 1 68 68 ILE HA H 1 4.809 0.030 . 1 . . . . 68 ILE HA . 11229 1 805 . 1 1 68 68 ILE HB H 1 1.466 0.030 . 1 . . . . 68 ILE HB . 11229 1 806 . 1 1 68 68 ILE HD11 H 1 0.580 0.030 . 1 . . . . 68 ILE HD1 . 11229 1 807 . 1 1 68 68 ILE HD12 H 1 0.580 0.030 . 1 . . . . 68 ILE HD1 . 11229 1 808 . 1 1 68 68 ILE HD13 H 1 0.580 0.030 . 1 . . . . 68 ILE HD1 . 11229 1 809 . 1 1 68 68 ILE HG12 H 1 1.158 0.030 . 2 . . . . 68 ILE HG12 . 11229 1 810 . 1 1 68 68 ILE HG13 H 1 0.830 0.030 . 2 . . . . 68 ILE HG13 . 11229 1 811 . 1 1 68 68 ILE HG21 H 1 0.495 0.030 . 1 . . . . 68 ILE HG2 . 11229 1 812 . 1 1 68 68 ILE HG22 H 1 0.495 0.030 . 1 . . . . 68 ILE HG2 . 11229 1 813 . 1 1 68 68 ILE HG23 H 1 0.495 0.030 . 1 . . . . 68 ILE HG2 . 11229 1 814 . 1 1 68 68 ILE C C 13 174.918 0.300 . 1 . . . . 68 ILE C . 11229 1 815 . 1 1 68 68 ILE CA C 13 59.263 0.300 . 1 . . . . 68 ILE CA . 11229 1 816 . 1 1 68 68 ILE CB C 13 41.715 0.300 . 1 . . . . 68 ILE CB . 11229 1 817 . 1 1 68 68 ILE CD1 C 13 14.734 0.300 . 1 . . . . 68 ILE CD1 . 11229 1 818 . 1 1 68 68 ILE CG1 C 13 28.444 0.300 . 1 . . . . 68 ILE CG1 . 11229 1 819 . 1 1 68 68 ILE CG2 C 13 16.720 0.300 . 1 . . . . 68 ILE CG2 . 11229 1 820 . 1 1 68 68 ILE N N 15 125.915 0.300 . 1 . . . . 68 ILE N . 11229 1 821 . 1 1 69 69 LEU H H 1 8.825 0.030 . 1 . . . . 69 LEU H . 11229 1 822 . 1 1 69 69 LEU HA H 1 4.972 0.030 . 1 . . . . 69 LEU HA . 11229 1 823 . 1 1 69 69 LEU HB2 H 1 1.238 0.030 . 2 . . . . 69 LEU HB2 . 11229 1 824 . 1 1 69 69 LEU HB3 H 1 1.652 0.030 . 2 . . . . 69 LEU HB3 . 11229 1 825 . 1 1 69 69 LEU HD11 H 1 0.472 0.030 . 1 . . . . 69 LEU HD1 . 11229 1 826 . 1 1 69 69 LEU HD12 H 1 0.472 0.030 . 1 . . . . 69 LEU HD1 . 11229 1 827 . 1 1 69 69 LEU HD13 H 1 0.472 0.030 . 1 . . . . 69 LEU HD1 . 11229 1 828 . 1 1 69 69 LEU HD21 H 1 0.827 0.030 . 1 . . . . 69 LEU HD2 . 11229 1 829 . 1 1 69 69 LEU HD22 H 1 0.827 0.030 . 1 . . . . 69 LEU HD2 . 11229 1 830 . 1 1 69 69 LEU HD23 H 1 0.827 0.030 . 1 . . . . 69 LEU HD2 . 11229 1 831 . 1 1 69 69 LEU HG H 1 1.106 0.030 . 1 . . . . 69 LEU HG . 11229 1 832 . 1 1 69 69 LEU C C 13 174.656 0.300 . 1 . . . . 69 LEU C . 11229 1 833 . 1 1 69 69 LEU CA C 13 50.388 0.300 . 1 . . . . 69 LEU CA . 11229 1 834 . 1 1 69 69 LEU CB C 13 40.985 0.300 . 1 . . . . 69 LEU CB . 11229 1 835 . 1 1 69 69 LEU CD1 C 13 24.936 0.300 . 2 . . . . 69 LEU CD1 . 11229 1 836 . 1 1 69 69 LEU CD2 C 13 24.252 0.300 . 2 . . . . 69 LEU CD2 . 11229 1 837 . 1 1 69 69 LEU CG C 13 25.644 0.300 . 1 . . . . 69 LEU CG . 11229 1 838 . 1 1 69 69 LEU N N 15 127.551 0.300 . 1 . . . . 69 LEU N . 11229 1 839 . 1 1 70 70 PRO HA H 1 3.814 0.030 . 1 . . . . 70 PRO HA . 11229 1 840 . 1 1 70 70 PRO HB2 H 1 2.310 0.030 . 2 . . . . 70 PRO HB2 . 11229 1 841 . 1 1 70 70 PRO HB3 H 1 1.816 0.030 . 2 . . . . 70 PRO HB3 . 11229 1 842 . 1 1 70 70 PRO HD2 H 1 3.777 0.030 . 2 . . . . 70 PRO HD2 . 11229 1 843 . 1 1 70 70 PRO HD3 H 1 3.463 0.030 . 2 . . . . 70 PRO HD3 . 11229 1 844 . 1 1 70 70 PRO HG2 H 1 1.665 0.030 . 2 . . . . 70 PRO HG2 . 11229 1 845 . 1 1 70 70 PRO HG3 H 1 2.093 0.030 . 2 . . . . 70 PRO HG3 . 11229 1 846 . 1 1 70 70 PRO C C 13 176.068 0.300 . 1 . . . . 70 PRO C . 11229 1 847 . 1 1 70 70 PRO CA C 13 65.000 0.300 . 1 . . . . 70 PRO CA . 11229 1 848 . 1 1 70 70 PRO CB C 13 33.031 0.300 . 1 . . . . 70 PRO CB . 11229 1 849 . 1 1 70 70 PRO CD C 13 50.735 0.300 . 1 . . . . 70 PRO CD . 11229 1 850 . 1 1 70 70 PRO CG C 13 27.408 0.300 . 1 . . . . 70 PRO CG . 11229 1 851 . 1 1 71 71 GLU H H 1 8.345 0.030 . 1 . . . . 71 GLU H . 11229 1 852 . 1 1 71 71 GLU HA H 1 3.867 0.030 . 1 . . . . 71 GLU HA . 11229 1 853 . 1 1 71 71 GLU HB2 H 1 1.690 0.030 . 2 . . . . 71 GLU HB2 . 11229 1 854 . 1 1 71 71 GLU HB3 H 1 1.829 0.030 . 2 . . . . 71 GLU HB3 . 11229 1 855 . 1 1 71 71 GLU HG2 H 1 2.157 0.030 . 2 . . . . 71 GLU HG2 . 11229 1 856 . 1 1 71 71 GLU HG3 H 1 1.987 0.030 . 2 . . . . 71 GLU HG3 . 11229 1 857 . 1 1 71 71 GLU C C 13 173.873 0.300 . 1 . . . . 71 GLU C . 11229 1 858 . 1 1 71 71 GLU CA C 13 54.723 0.300 . 1 . . . . 71 GLU CA . 11229 1 859 . 1 1 71 71 GLU CB C 13 30.668 0.300 . 1 . . . . 71 GLU CB . 11229 1 860 . 1 1 71 71 GLU CG C 13 36.623 0.300 . 1 . . . . 71 GLU CG . 11229 1 861 . 1 1 71 71 GLU N N 15 116.935 0.300 . 1 . . . . 71 GLU N . 11229 1 862 . 1 1 72 72 ALA H H 1 8.317 0.030 . 1 . . . . 72 ALA H . 11229 1 863 . 1 1 72 72 ALA HA H 1 4.170 0.030 . 1 . . . . 72 ALA HA . 11229 1 864 . 1 1 72 72 ALA HB1 H 1 1.246 0.030 . 1 . . . . 72 ALA HB . 11229 1 865 . 1 1 72 72 ALA HB2 H 1 1.246 0.030 . 1 . . . . 72 ALA HB . 11229 1 866 . 1 1 72 72 ALA HB3 H 1 1.246 0.030 . 1 . . . . 72 ALA HB . 11229 1 867 . 1 1 72 72 ALA C C 13 177.298 0.300 . 1 . . . . 72 ALA C . 11229 1 868 . 1 1 72 72 ALA CA C 13 53.606 0.300 . 1 . . . . 72 ALA CA . 11229 1 869 . 1 1 72 72 ALA CB C 13 19.972 0.300 . 1 . . . . 72 ALA CB . 11229 1 870 . 1 1 72 72 ALA N N 15 127.256 0.300 . 1 . . . . 72 ALA N . 11229 1 871 . 1 1 73 73 LYS H H 1 9.866 0.030 . 1 . . . . 73 LYS H . 11229 1 872 . 1 1 73 73 LYS HA H 1 4.788 0.030 . 1 . . . . 73 LYS HA . 11229 1 873 . 1 1 73 73 LYS HB2 H 1 2.102 0.030 . 2 . . . . 73 LYS HB2 . 11229 1 874 . 1 1 73 73 LYS HB3 H 1 1.625 0.030 . 2 . . . . 73 LYS HB3 . 11229 1 875 . 1 1 73 73 LYS HD2 H 1 1.723 0.030 . 1 . . . . 73 LYS HD2 . 11229 1 876 . 1 1 73 73 LYS HD3 H 1 1.723 0.030 . 1 . . . . 73 LYS HD3 . 11229 1 877 . 1 1 73 73 LYS HE2 H 1 3.012 0.030 . 1 . . . . 73 LYS HE2 . 11229 1 878 . 1 1 73 73 LYS HE3 H 1 3.012 0.030 . 1 . . . . 73 LYS HE3 . 11229 1 879 . 1 1 73 73 LYS HG2 H 1 1.554 0.030 . 1 . . . . 73 LYS HG2 . 11229 1 880 . 1 1 73 73 LYS HG3 H 1 1.554 0.030 . 1 . . . . 73 LYS HG3 . 11229 1 881 . 1 1 73 73 LYS C C 13 177.776 0.300 . 1 . . . . 73 LYS C . 11229 1 882 . 1 1 73 73 LYS CA C 13 54.222 0.300 . 1 . . . . 73 LYS CA . 11229 1 883 . 1 1 73 73 LYS CB C 13 35.795 0.300 . 1 . . . . 73 LYS CB . 11229 1 884 . 1 1 73 73 LYS CD C 13 28.991 0.300 . 1 . . . . 73 LYS CD . 11229 1 885 . 1 1 73 73 LYS CE C 13 42.140 0.300 . 1 . . . . 73 LYS CE . 11229 1 886 . 1 1 73 73 LYS CG C 13 24.670 0.300 . 1 . . . . 73 LYS CG . 11229 1 887 . 1 1 73 73 LYS N N 15 123.007 0.300 . 1 . . . . 73 LYS N . 11229 1 888 . 1 1 74 74 VAL H H 1 8.896 0.030 . 1 . . . . 74 VAL H . 11229 1 889 . 1 1 74 74 VAL HA H 1 3.732 0.030 . 1 . . . . 74 VAL HA . 11229 1 890 . 1 1 74 74 VAL HB H 1 2.030 0.030 . 1 . . . . 74 VAL HB . 11229 1 891 . 1 1 74 74 VAL HG11 H 1 1.056 0.030 . 1 . . . . 74 VAL HG1 . 11229 1 892 . 1 1 74 74 VAL HG12 H 1 1.056 0.030 . 1 . . . . 74 VAL HG1 . 11229 1 893 . 1 1 74 74 VAL HG13 H 1 1.056 0.030 . 1 . . . . 74 VAL HG1 . 11229 1 894 . 1 1 74 74 VAL HG21 H 1 1.040 0.030 . 1 . . . . 74 VAL HG2 . 11229 1 895 . 1 1 74 74 VAL HG22 H 1 1.040 0.030 . 1 . . . . 74 VAL HG2 . 11229 1 896 . 1 1 74 74 VAL HG23 H 1 1.040 0.030 . 1 . . . . 74 VAL HG2 . 11229 1 897 . 1 1 74 74 VAL C C 13 179.972 0.300 . 1 . . . . 74 VAL C . 11229 1 898 . 1 1 74 74 VAL CA C 13 66.849 0.300 . 1 . . . . 74 VAL CA . 11229 1 899 . 1 1 74 74 VAL CB C 13 31.576 0.300 . 1 . . . . 74 VAL CB . 11229 1 900 . 1 1 74 74 VAL CG1 C 13 22.254 0.300 . 2 . . . . 74 VAL CG1 . 11229 1 901 . 1 1 74 74 VAL CG2 C 13 21.096 0.300 . 2 . . . . 74 VAL CG2 . 11229 1 902 . 1 1 74 74 VAL N N 15 122.501 0.300 . 1 . . . . 74 VAL N . 11229 1 903 . 1 1 75 75 GLN H H 1 8.613 0.030 . 1 . . . . 75 GLN H . 11229 1 904 . 1 1 75 75 GLN HA H 1 4.324 0.030 . 1 . . . . 75 GLN HA . 11229 1 905 . 1 1 75 75 GLN HB2 H 1 2.166 0.030 . 2 . . . . 75 GLN HB2 . 11229 1 906 . 1 1 75 75 GLN HB3 H 1 2.105 0.030 . 2 . . . . 75 GLN HB3 . 11229 1 907 . 1 1 75 75 GLN HE21 H 1 7.668 0.030 . 2 . . . . 75 GLN HE21 . 11229 1 908 . 1 1 75 75 GLN HE22 H 1 6.907 0.030 . 2 . . . . 75 GLN HE22 . 11229 1 909 . 1 1 75 75 GLN HG2 H 1 2.470 0.030 . 1 . . . . 75 GLN HG2 . 11229 1 910 . 1 1 75 75 GLN HG3 H 1 2.470 0.030 . 1 . . . . 75 GLN HG3 . 11229 1 911 . 1 1 75 75 GLN C C 13 176.324 0.300 . 1 . . . . 75 GLN C . 11229 1 912 . 1 1 75 75 GLN CA C 13 58.038 0.300 . 1 . . . . 75 GLN CA . 11229 1 913 . 1 1 75 75 GLN CB C 13 27.596 0.300 . 1 . . . . 75 GLN CB . 11229 1 914 . 1 1 75 75 GLN CG C 13 33.966 0.300 . 1 . . . . 75 GLN CG . 11229 1 915 . 1 1 75 75 GLN N N 15 116.760 0.300 . 1 . . . . 75 GLN N . 11229 1 916 . 1 1 75 75 GLN NE2 N 15 112.499 0.300 . 1 . . . . 75 GLN NE2 . 11229 1 917 . 1 1 76 76 ASP H H 1 8.285 0.030 . 1 . . . . 76 ASP H . 11229 1 918 . 1 1 76 76 ASP HA H 1 4.578 0.030 . 1 . . . . 76 ASP HA . 11229 1 919 . 1 1 76 76 ASP HB2 H 1 2.969 0.030 . 2 . . . . 76 ASP HB2 . 11229 1 920 . 1 1 76 76 ASP HB3 H 1 2.898 0.030 . 2 . . . . 76 ASP HB3 . 11229 1 921 . 1 1 76 76 ASP C C 13 174.074 0.300 . 1 . . . . 76 ASP C . 11229 1 922 . 1 1 76 76 ASP CA C 13 56.527 0.300 . 1 . . . . 76 ASP CA . 11229 1 923 . 1 1 76 76 ASP CB C 13 42.123 0.300 . 1 . . . . 76 ASP CB . 11229 1 924 . 1 1 76 76 ASP N N 15 120.120 0.300 . 1 . . . . 76 ASP N . 11229 1 925 . 1 1 77 77 SER H H 1 7.608 0.030 . 1 . . . . 77 SER H . 11229 1 926 . 1 1 77 77 SER HA H 1 4.427 0.030 . 1 . . . . 77 SER HA . 11229 1 927 . 1 1 77 77 SER HB2 H 1 4.049 0.030 . 2 . . . . 77 SER HB2 . 11229 1 928 . 1 1 77 77 SER HB3 H 1 4.350 0.030 . 2 . . . . 77 SER HB3 . 11229 1 929 . 1 1 77 77 SER C C 13 174.034 0.300 . 1 . . . . 77 SER C . 11229 1 930 . 1 1 77 77 SER CA C 13 60.404 0.300 . 1 . . . . 77 SER CA . 11229 1 931 . 1 1 77 77 SER CB C 13 64.796 0.300 . 1 . . . . 77 SER CB . 11229 1 932 . 1 1 77 77 SER N N 15 111.159 0.300 . 1 . . . . 77 SER N . 11229 1 933 . 1 1 78 78 GLY H H 1 9.359 0.030 . 1 . . . . 78 GLY H . 11229 1 934 . 1 1 78 78 GLY HA2 H 1 4.276 0.030 . 2 . . . . 78 GLY HA2 . 11229 1 935 . 1 1 78 78 GLY HA3 H 1 4.065 0.030 . 2 . . . . 78 GLY HA3 . 11229 1 936 . 1 1 78 78 GLY C C 13 170.638 0.300 . 1 . . . . 78 GLY C . 11229 1 937 . 1 1 78 78 GLY CA C 13 45.342 0.300 . 1 . . . . 78 GLY CA . 11229 1 938 . 1 1 78 78 GLY N N 15 112.306 0.300 . 1 . . . . 78 GLY N . 11229 1 939 . 1 1 79 79 GLU H H 1 8.926 0.030 . 1 . . . . 79 GLU H . 11229 1 940 . 1 1 79 79 GLU HA H 1 5.394 0.030 . 1 . . . . 79 GLU HA . 11229 1 941 . 1 1 79 79 GLU HB2 H 1 2.341 0.030 . 2 . . . . 79 GLU HB2 . 11229 1 942 . 1 1 79 79 GLU HB3 H 1 2.025 0.030 . 2 . . . . 79 GLU HB3 . 11229 1 943 . 1 1 79 79 GLU HG2 H 1 2.269 0.030 . 2 . . . . 79 GLU HG2 . 11229 1 944 . 1 1 79 79 GLU HG3 H 1 2.241 0.030 . 2 . . . . 79 GLU HG3 . 11229 1 945 . 1 1 79 79 GLU C C 13 176.319 0.300 . 1 . . . . 79 GLU C . 11229 1 946 . 1 1 79 79 GLU CA C 13 55.118 0.300 . 1 . . . . 79 GLU CA . 11229 1 947 . 1 1 79 79 GLU CB C 13 30.998 0.300 . 1 . . . . 79 GLU CB . 11229 1 948 . 1 1 79 79 GLU CG C 13 37.794 0.300 . 1 . . . . 79 GLU CG . 11229 1 949 . 1 1 79 79 GLU N N 15 121.562 0.300 . 1 . . . . 79 GLU N . 11229 1 950 . 1 1 80 80 PHE H H 1 9.934 0.030 . 1 . . . . 80 PHE H . 11229 1 951 . 1 1 80 80 PHE HA H 1 5.713 0.030 . 1 . . . . 80 PHE HA . 11229 1 952 . 1 1 80 80 PHE HB2 H 1 3.366 0.030 . 2 . . . . 80 PHE HB2 . 11229 1 953 . 1 1 80 80 PHE HB3 H 1 3.098 0.030 . 2 . . . . 80 PHE HB3 . 11229 1 954 . 1 1 80 80 PHE HD1 H 1 7.214 0.030 . 1 . . . . 80 PHE HD1 . 11229 1 955 . 1 1 80 80 PHE HD2 H 1 7.214 0.030 . 1 . . . . 80 PHE HD2 . 11229 1 956 . 1 1 80 80 PHE HE1 H 1 7.310 0.030 . 1 . . . . 80 PHE HE1 . 11229 1 957 . 1 1 80 80 PHE HE2 H 1 7.310 0.030 . 1 . . . . 80 PHE HE2 . 11229 1 958 . 1 1 80 80 PHE HZ H 1 7.510 0.030 . 1 . . . . 80 PHE HZ . 11229 1 959 . 1 1 80 80 PHE C C 13 174.912 0.300 . 1 . . . . 80 PHE C . 11229 1 960 . 1 1 80 80 PHE CA C 13 57.582 0.300 . 1 . . . . 80 PHE CA . 11229 1 961 . 1 1 80 80 PHE CB C 13 42.630 0.300 . 1 . . . . 80 PHE CB . 11229 1 962 . 1 1 80 80 PHE CD1 C 13 131.922 0.300 . 1 . . . . 80 PHE CD1 . 11229 1 963 . 1 1 80 80 PHE CD2 C 13 131.922 0.300 . 1 . . . . 80 PHE CD2 . 11229 1 964 . 1 1 80 80 PHE CE1 C 13 130.627 0.300 . 1 . . . . 80 PHE CE1 . 11229 1 965 . 1 1 80 80 PHE CE2 C 13 130.627 0.300 . 1 . . . . 80 PHE CE2 . 11229 1 966 . 1 1 80 80 PHE CZ C 13 130.822 0.300 . 1 . . . . 80 PHE CZ . 11229 1 967 . 1 1 80 80 PHE N N 15 128.947 0.300 . 1 . . . . 80 PHE N . 11229 1 968 . 1 1 81 81 GLU H H 1 9.798 0.030 . 1 . . . . 81 GLU H . 11229 1 969 . 1 1 81 81 GLU HA H 1 5.391 0.030 . 1 . . . . 81 GLU HA . 11229 1 970 . 1 1 81 81 GLU HB2 H 1 2.051 0.030 . 2 . . . . 81 GLU HB2 . 11229 1 971 . 1 1 81 81 GLU HB3 H 1 1.830 0.030 . 2 . . . . 81 GLU HB3 . 11229 1 972 . 1 1 81 81 GLU HG2 H 1 1.257 0.030 . 2 . . . . 81 GLU HG2 . 11229 1 973 . 1 1 81 81 GLU HG3 H 1 1.463 0.030 . 2 . . . . 81 GLU HG3 . 11229 1 974 . 1 1 81 81 GLU C C 13 174.666 0.300 . 1 . . . . 81 GLU C . 11229 1 975 . 1 1 81 81 GLU CA C 13 53.194 0.300 . 1 . . . . 81 GLU CA . 11229 1 976 . 1 1 81 81 GLU CB C 13 34.742 0.300 . 1 . . . . 81 GLU CB . 11229 1 977 . 1 1 81 81 GLU CG C 13 35.472 0.300 . 1 . . . . 81 GLU CG . 11229 1 978 . 1 1 81 81 GLU N N 15 124.534 0.300 . 1 . . . . 81 GLU N . 11229 1 979 . 1 1 82 82 CYS H H 1 8.814 0.030 . 1 . . . . 82 CYS H . 11229 1 980 . 1 1 82 82 CYS HA H 1 3.723 0.030 . 1 . . . . 82 CYS HA . 11229 1 981 . 1 1 82 82 CYS HB2 H 1 0.522 0.030 . 2 . . . . 82 CYS HB2 . 11229 1 982 . 1 1 82 82 CYS HB3 H 1 2.069 0.030 . 2 . . . . 82 CYS HB3 . 11229 1 983 . 1 1 82 82 CYS C C 13 172.559 0.300 . 1 . . . . 82 CYS C . 11229 1 984 . 1 1 82 82 CYS CA C 13 58.382 0.300 . 1 . . . . 82 CYS CA . 11229 1 985 . 1 1 82 82 CYS CB C 13 25.664 0.300 . 1 . . . . 82 CYS CB . 11229 1 986 . 1 1 82 82 CYS N N 15 128.251 0.300 . 1 . . . . 82 CYS N . 11229 1 987 . 1 1 83 83 ARG H H 1 9.105 0.030 . 1 . . . . 83 ARG H . 11229 1 988 . 1 1 83 83 ARG HA H 1 4.806 0.030 . 1 . . . . 83 ARG HA . 11229 1 989 . 1 1 83 83 ARG HB2 H 1 1.953 0.030 . 2 . . . . 83 ARG HB2 . 11229 1 990 . 1 1 83 83 ARG HB3 H 1 1.474 0.030 . 2 . . . . 83 ARG HB3 . 11229 1 991 . 1 1 83 83 ARG HD2 H 1 2.661 0.030 . 2 . . . . 83 ARG HD2 . 11229 1 992 . 1 1 83 83 ARG HD3 H 1 3.066 0.030 . 2 . . . . 83 ARG HD3 . 11229 1 993 . 1 1 83 83 ARG HE H 1 6.955 0.030 . 1 . . . . 83 ARG HE . 11229 1 994 . 1 1 83 83 ARG HG2 H 1 1.488 0.030 . 1 . . . . 83 ARG HG2 . 11229 1 995 . 1 1 83 83 ARG HG3 H 1 1.488 0.030 . 1 . . . . 83 ARG HG3 . 11229 1 996 . 1 1 83 83 ARG C C 13 176.244 0.300 . 1 . . . . 83 ARG C . 11229 1 997 . 1 1 83 83 ARG CA C 13 55.546 0.300 . 1 . . . . 83 ARG CA . 11229 1 998 . 1 1 83 83 ARG CB C 13 33.738 0.300 . 1 . . . . 83 ARG CB . 11229 1 999 . 1 1 83 83 ARG CD C 13 43.420 0.300 . 1 . . . . 83 ARG CD . 11229 1 1000 . 1 1 83 83 ARG CG C 13 25.563 0.300 . 1 . . . . 83 ARG CG . 11229 1 1001 . 1 1 83 83 ARG N N 15 129.568 0.300 . 1 . . . . 83 ARG N . 11229 1 1002 . 1 1 83 83 ARG NE N 15 83.119 0.300 . 1 . . . . 83 ARG NE . 11229 1 1003 . 1 1 84 84 THR H H 1 8.461 0.030 . 1 . . . . 84 THR H . 11229 1 1004 . 1 1 84 84 THR HA H 1 4.889 0.030 . 1 . . . . 84 THR HA . 11229 1 1005 . 1 1 84 84 THR HB H 1 3.911 0.030 . 1 . . . . 84 THR HB . 11229 1 1006 . 1 1 84 84 THR HG21 H 1 0.994 0.030 . 1 . . . . 84 THR HG2 . 11229 1 1007 . 1 1 84 84 THR HG22 H 1 0.994 0.030 . 1 . . . . 84 THR HG2 . 11229 1 1008 . 1 1 84 84 THR HG23 H 1 0.994 0.030 . 1 . . . . 84 THR HG2 . 11229 1 1009 . 1 1 84 84 THR C C 13 172.958 0.300 . 1 . . . . 84 THR C . 11229 1 1010 . 1 1 84 84 THR CA C 13 59.179 0.300 . 1 . . . . 84 THR CA . 11229 1 1011 . 1 1 84 84 THR CB C 13 70.071 0.300 . 1 . . . . 84 THR CB . 11229 1 1012 . 1 1 84 84 THR CG2 C 13 19.926 0.300 . 1 . . . . 84 THR CG2 . 11229 1 1013 . 1 1 84 84 THR N N 15 124.109 0.300 . 1 . . . . 84 THR N . 11229 1 1014 . 1 1 85 85 GLU H H 1 8.326 0.030 . 1 . . . . 85 GLU H . 11229 1 1015 . 1 1 85 85 GLU HA H 1 4.140 0.030 . 1 . . . . 85 GLU HA . 11229 1 1016 . 1 1 85 85 GLU HB2 H 1 2.167 0.030 . 2 . . . . 85 GLU HB2 . 11229 1 1017 . 1 1 85 85 GLU HB3 H 1 2.120 0.030 . 2 . . . . 85 GLU HB3 . 11229 1 1018 . 1 1 85 85 GLU HG2 H 1 2.284 0.030 . 1 . . . . 85 GLU HG2 . 11229 1 1019 . 1 1 85 85 GLU HG3 H 1 2.284 0.030 . 1 . . . . 85 GLU HG3 . 11229 1 1020 . 1 1 85 85 GLU C C 13 175.960 0.300 . 1 . . . . 85 GLU C . 11229 1 1021 . 1 1 85 85 GLU CA C 13 57.488 0.300 . 1 . . . . 85 GLU CA . 11229 1 1022 . 1 1 85 85 GLU CB C 13 29.304 0.300 . 1 . . . . 85 GLU CB . 11229 1 1023 . 1 1 85 85 GLU CG C 13 36.090 0.300 . 1 . . . . 85 GLU CG . 11229 1 1024 . 1 1 85 85 GLU N N 15 123.456 0.300 . 1 . . . . 85 GLU N . 11229 1 1025 . 1 1 86 86 GLY H H 1 8.398 0.030 . 1 . . . . 86 GLY H . 11229 1 1026 . 1 1 86 86 GLY HA2 H 1 4.167 0.030 . 2 . . . . 86 GLY HA2 . 11229 1 1027 . 1 1 86 86 GLY HA3 H 1 3.778 0.030 . 2 . . . . 86 GLY HA3 . 11229 1 1028 . 1 1 86 86 GLY C C 13 173.390 0.300 . 1 . . . . 86 GLY C . 11229 1 1029 . 1 1 86 86 GLY CA C 13 46.005 0.300 . 1 . . . . 86 GLY CA . 11229 1 1030 . 1 1 86 86 GLY N N 15 114.177 0.300 . 1 . . . . 86 GLY N . 11229 1 1031 . 1 1 87 87 VAL H H 1 7.270 0.030 . 1 . . . . 87 VAL H . 11229 1 1032 . 1 1 87 87 VAL HA H 1 4.606 0.030 . 1 . . . . 87 VAL HA . 11229 1 1033 . 1 1 87 87 VAL HB H 1 2.201 0.030 . 1 . . . . 87 VAL HB . 11229 1 1034 . 1 1 87 87 VAL HG11 H 1 0.847 0.030 . 1 . . . . 87 VAL HG1 . 11229 1 1035 . 1 1 87 87 VAL HG12 H 1 0.847 0.030 . 1 . . . . 87 VAL HG1 . 11229 1 1036 . 1 1 87 87 VAL HG13 H 1 0.847 0.030 . 1 . . . . 87 VAL HG1 . 11229 1 1037 . 1 1 87 87 VAL HG21 H 1 0.827 0.030 . 1 . . . . 87 VAL HG2 . 11229 1 1038 . 1 1 87 87 VAL HG22 H 1 0.827 0.030 . 1 . . . . 87 VAL HG2 . 11229 1 1039 . 1 1 87 87 VAL HG23 H 1 0.827 0.030 . 1 . . . . 87 VAL HG2 . 11229 1 1040 . 1 1 87 87 VAL C C 13 172.600 0.300 . 1 . . . . 87 VAL C . 11229 1 1041 . 1 1 87 87 VAL CA C 13 60.697 0.300 . 1 . . . . 87 VAL CA . 11229 1 1042 . 1 1 87 87 VAL CB C 13 35.276 0.300 . 1 . . . . 87 VAL CB . 11229 1 1043 . 1 1 87 87 VAL CG1 C 13 21.404 0.300 . 2 . . . . 87 VAL CG1 . 11229 1 1044 . 1 1 87 87 VAL CG2 C 13 19.972 0.300 . 2 . . . . 87 VAL CG2 . 11229 1 1045 . 1 1 87 87 VAL N N 15 116.171 0.300 . 1 . . . . 87 VAL N . 11229 1 1046 . 1 1 88 88 SER H H 1 7.876 0.030 . 1 . . . . 88 SER H . 11229 1 1047 . 1 1 88 88 SER HA H 1 5.370 0.030 . 1 . . . . 88 SER HA . 11229 1 1048 . 1 1 88 88 SER HB2 H 1 3.217 0.030 . 2 . . . . 88 SER HB2 . 11229 1 1049 . 1 1 88 88 SER HB3 H 1 3.123 0.030 . 2 . . . . 88 SER HB3 . 11229 1 1050 . 1 1 88 88 SER C C 13 172.005 0.300 . 1 . . . . 88 SER C . 11229 1 1051 . 1 1 88 88 SER CA C 13 57.124 0.300 . 1 . . . . 88 SER CA . 11229 1 1052 . 1 1 88 88 SER CB C 13 68.060 0.300 . 1 . . . . 88 SER CB . 11229 1 1053 . 1 1 88 88 SER N N 15 116.943 0.300 . 1 . . . . 88 SER N . 11229 1 1054 . 1 1 89 89 ALA H H 1 8.233 0.030 . 1 . . . . 89 ALA H . 11229 1 1055 . 1 1 89 89 ALA HA H 1 4.663 0.030 . 1 . . . . 89 ALA HA . 11229 1 1056 . 1 1 89 89 ALA HB1 H 1 1.251 0.030 . 1 . . . . 89 ALA HB . 11229 1 1057 . 1 1 89 89 ALA HB2 H 1 1.251 0.030 . 1 . . . . 89 ALA HB . 11229 1 1058 . 1 1 89 89 ALA HB3 H 1 1.251 0.030 . 1 . . . . 89 ALA HB . 11229 1 1059 . 1 1 89 89 ALA CA C 13 49.717 0.300 . 1 . . . . 89 ALA CA . 11229 1 1060 . 1 1 89 89 ALA CB C 13 23.306 0.300 . 1 . . . . 89 ALA CB . 11229 1 1061 . 1 1 89 89 ALA N N 15 123.596 0.300 . 1 . . . . 89 ALA N . 11229 1 1062 . 1 1 90 90 PHE H H 1 8.708 0.030 . 1 . . . . 90 PHE H . 11229 1 1063 . 1 1 90 90 PHE HA H 1 5.401 0.030 . 1 . . . . 90 PHE HA . 11229 1 1064 . 1 1 90 90 PHE HB2 H 1 2.975 0.030 . 2 . . . . 90 PHE HB2 . 11229 1 1065 . 1 1 90 90 PHE HB3 H 1 2.537 0.030 . 2 . . . . 90 PHE HB3 . 11229 1 1066 . 1 1 90 90 PHE HD1 H 1 7.133 0.030 . 1 . . . . 90 PHE HD1 . 11229 1 1067 . 1 1 90 90 PHE HD2 H 1 7.133 0.030 . 1 . . . . 90 PHE HD2 . 11229 1 1068 . 1 1 90 90 PHE HE1 H 1 7.132 0.030 . 1 . . . . 90 PHE HE1 . 11229 1 1069 . 1 1 90 90 PHE HE2 H 1 7.132 0.030 . 1 . . . . 90 PHE HE2 . 11229 1 1070 . 1 1 90 90 PHE HZ H 1 7.102 0.030 . 1 . . . . 90 PHE HZ . 11229 1 1071 . 1 1 90 90 PHE C C 13 173.984 0.300 . 1 . . . . 90 PHE C . 11229 1 1072 . 1 1 90 90 PHE CA C 13 57.687 0.300 . 1 . . . . 90 PHE CA . 11229 1 1073 . 1 1 90 90 PHE CB C 13 43.619 0.300 . 1 . . . . 90 PHE CB . 11229 1 1074 . 1 1 90 90 PHE CD1 C 13 131.362 0.300 . 1 . . . . 90 PHE CD1 . 11229 1 1075 . 1 1 90 90 PHE CD2 C 13 131.362 0.300 . 1 . . . . 90 PHE CD2 . 11229 1 1076 . 1 1 90 90 PHE CE1 C 13 131.270 0.300 . 1 . . . . 90 PHE CE1 . 11229 1 1077 . 1 1 90 90 PHE CE2 C 13 131.270 0.300 . 1 . . . . 90 PHE CE2 . 11229 1 1078 . 1 1 90 90 PHE CZ C 13 129.442 0.300 . 1 . . . . 90 PHE CZ . 11229 1 1079 . 1 1 90 90 PHE N N 15 118.196 0.300 . 1 . . . . 90 PHE N . 11229 1 1080 . 1 1 91 91 PHE H H 1 9.556 0.030 . 1 . . . . 91 PHE H . 11229 1 1081 . 1 1 91 91 PHE HA H 1 5.271 0.030 . 1 . . . . 91 PHE HA . 11229 1 1082 . 1 1 91 91 PHE HB2 H 1 3.390 0.030 . 2 . . . . 91 PHE HB2 . 11229 1 1083 . 1 1 91 91 PHE HB3 H 1 2.870 0.030 . 2 . . . . 91 PHE HB3 . 11229 1 1084 . 1 1 91 91 PHE HD1 H 1 7.299 0.030 . 1 . . . . 91 PHE HD1 . 11229 1 1085 . 1 1 91 91 PHE HD2 H 1 7.299 0.030 . 1 . . . . 91 PHE HD2 . 11229 1 1086 . 1 1 91 91 PHE HE1 H 1 7.291 0.030 . 1 . . . . 91 PHE HE1 . 11229 1 1087 . 1 1 91 91 PHE HE2 H 1 7.291 0.030 . 1 . . . . 91 PHE HE2 . 11229 1 1088 . 1 1 91 91 PHE HZ H 1 7.074 0.030 . 1 . . . . 91 PHE HZ . 11229 1 1089 . 1 1 91 91 PHE C C 13 175.714 0.300 . 1 . . . . 91 PHE C . 11229 1 1090 . 1 1 91 91 PHE CA C 13 55.435 0.300 . 1 . . . . 91 PHE CA . 11229 1 1091 . 1 1 91 91 PHE CB C 13 42.543 0.300 . 1 . . . . 91 PHE CB . 11229 1 1092 . 1 1 91 91 PHE CD1 C 13 132.899 0.300 . 1 . . . . 91 PHE CD1 . 11229 1 1093 . 1 1 91 91 PHE CD2 C 13 132.899 0.300 . 1 . . . . 91 PHE CD2 . 11229 1 1094 . 1 1 91 91 PHE CE1 C 13 131.201 0.300 . 1 . . . . 91 PHE CE1 . 11229 1 1095 . 1 1 91 91 PHE CE2 C 13 131.201 0.300 . 1 . . . . 91 PHE CE2 . 11229 1 1096 . 1 1 91 91 PHE CZ C 13 128.669 0.300 . 1 . . . . 91 PHE CZ . 11229 1 1097 . 1 1 91 91 PHE N N 15 117.949 0.300 . 1 . . . . 91 PHE N . 11229 1 1098 . 1 1 92 92 GLY H H 1 9.972 0.030 . 1 . . . . 92 GLY H . 11229 1 1099 . 1 1 92 92 GLY HA2 H 1 4.851 0.030 . 2 . . . . 92 GLY HA2 . 11229 1 1100 . 1 1 92 92 GLY HA3 H 1 3.869 0.030 . 2 . . . . 92 GLY HA3 . 11229 1 1101 . 1 1 92 92 GLY C C 13 173.044 0.300 . 1 . . . . 92 GLY C . 11229 1 1102 . 1 1 92 92 GLY CA C 13 46.563 0.300 . 1 . . . . 92 GLY CA . 11229 1 1103 . 1 1 92 92 GLY N N 15 114.704 0.300 . 1 . . . . 92 GLY N . 11229 1 1104 . 1 1 93 93 VAL H H 1 9.262 0.030 . 1 . . . . 93 VAL H . 11229 1 1105 . 1 1 93 93 VAL HA H 1 4.827 0.030 . 1 . . . . 93 VAL HA . 11229 1 1106 . 1 1 93 93 VAL HB H 1 2.667 0.030 . 1 . . . . 93 VAL HB . 11229 1 1107 . 1 1 93 93 VAL HG11 H 1 1.110 0.030 . 1 . . . . 93 VAL HG1 . 11229 1 1108 . 1 1 93 93 VAL HG12 H 1 1.110 0.030 . 1 . . . . 93 VAL HG1 . 11229 1 1109 . 1 1 93 93 VAL HG13 H 1 1.110 0.030 . 1 . . . . 93 VAL HG1 . 11229 1 1110 . 1 1 93 93 VAL HG21 H 1 0.925 0.030 . 1 . . . . 93 VAL HG2 . 11229 1 1111 . 1 1 93 93 VAL HG22 H 1 0.925 0.030 . 1 . . . . 93 VAL HG2 . 11229 1 1112 . 1 1 93 93 VAL HG23 H 1 0.925 0.030 . 1 . . . . 93 VAL HG2 . 11229 1 1113 . 1 1 93 93 VAL C C 13 175.880 0.300 . 1 . . . . 93 VAL C . 11229 1 1114 . 1 1 93 93 VAL CA C 13 62.783 0.300 . 1 . . . . 93 VAL CA . 11229 1 1115 . 1 1 93 93 VAL CB C 13 34.716 0.300 . 1 . . . . 93 VAL CB . 11229 1 1116 . 1 1 93 93 VAL CG1 C 13 23.483 0.300 . 2 . . . . 93 VAL CG1 . 11229 1 1117 . 1 1 93 93 VAL CG2 C 13 21.363 0.300 . 2 . . . . 93 VAL CG2 . 11229 1 1118 . 1 1 93 93 VAL N N 15 127.779 0.300 . 1 . . . . 93 VAL N . 11229 1 1119 . 1 1 94 94 THR H H 1 8.838 0.030 . 1 . . . . 94 THR H . 11229 1 1120 . 1 1 94 94 THR HA H 1 4.554 0.030 . 1 . . . . 94 THR HA . 11229 1 1121 . 1 1 94 94 THR HB H 1 4.162 0.030 . 1 . . . . 94 THR HB . 11229 1 1122 . 1 1 94 94 THR HG21 H 1 1.233 0.030 . 1 . . . . 94 THR HG2 . 11229 1 1123 . 1 1 94 94 THR HG22 H 1 1.233 0.030 . 1 . . . . 94 THR HG2 . 11229 1 1124 . 1 1 94 94 THR HG23 H 1 1.233 0.030 . 1 . . . . 94 THR HG2 . 11229 1 1125 . 1 1 94 94 THR C C 13 172.075 0.300 . 1 . . . . 94 THR C . 11229 1 1126 . 1 1 94 94 THR CA C 13 62.785 0.300 . 1 . . . . 94 THR CA . 11229 1 1127 . 1 1 94 94 THR CB C 13 70.578 0.300 . 1 . . . . 94 THR CB . 11229 1 1128 . 1 1 94 94 THR CG2 C 13 21.354 0.300 . 1 . . . . 94 THR CG2 . 11229 1 1129 . 1 1 94 94 THR N N 15 126.448 0.300 . 1 . . . . 94 THR N . 11229 1 1130 . 1 1 95 95 VAL H H 1 8.830 0.030 . 1 . . . . 95 VAL H . 11229 1 1131 . 1 1 95 95 VAL HA H 1 4.599 0.030 . 1 . . . . 95 VAL HA . 11229 1 1132 . 1 1 95 95 VAL HB H 1 1.971 0.030 . 1 . . . . 95 VAL HB . 11229 1 1133 . 1 1 95 95 VAL HG11 H 1 0.428 0.030 . 1 . . . . 95 VAL HG1 . 11229 1 1134 . 1 1 95 95 VAL HG12 H 1 0.428 0.030 . 1 . . . . 95 VAL HG1 . 11229 1 1135 . 1 1 95 95 VAL HG13 H 1 0.428 0.030 . 1 . . . . 95 VAL HG1 . 11229 1 1136 . 1 1 95 95 VAL HG21 H 1 0.668 0.030 . 1 . . . . 95 VAL HG2 . 11229 1 1137 . 1 1 95 95 VAL HG22 H 1 0.668 0.030 . 1 . . . . 95 VAL HG2 . 11229 1 1138 . 1 1 95 95 VAL HG23 H 1 0.668 0.030 . 1 . . . . 95 VAL HG2 . 11229 1 1139 . 1 1 95 95 VAL C C 13 174.579 0.300 . 1 . . . . 95 VAL C . 11229 1 1140 . 1 1 95 95 VAL CA C 13 60.685 0.300 . 1 . . . . 95 VAL CA . 11229 1 1141 . 1 1 95 95 VAL CB C 13 32.410 0.300 . 1 . . . . 95 VAL CB . 11229 1 1142 . 1 1 95 95 VAL CG1 C 13 20.794 0.300 . 2 . . . . 95 VAL CG1 . 11229 1 1143 . 1 1 95 95 VAL CG2 C 13 20.227 0.300 . 2 . . . . 95 VAL CG2 . 11229 1 1144 . 1 1 95 95 VAL N N 15 129.070 0.300 . 1 . . . . 95 VAL N . 11229 1 1145 . 1 1 96 96 GLN H H 1 8.734 0.030 . 1 . . . . 96 GLN H . 11229 1 1146 . 1 1 96 96 GLN HA H 1 4.804 0.030 . 1 . . . . 96 GLN HA . 11229 1 1147 . 1 1 96 96 GLN HB2 H 1 1.965 0.030 . 1 . . . . 96 GLN HB2 . 11229 1 1148 . 1 1 96 96 GLN HB3 H 1 1.965 0.030 . 1 . . . . 96 GLN HB3 . 11229 1 1149 . 1 1 96 96 GLN HE21 H 1 7.404 0.030 . 2 . . . . 96 GLN HE21 . 11229 1 1150 . 1 1 96 96 GLN HE22 H 1 6.786 0.030 . 2 . . . . 96 GLN HE22 . 11229 1 1151 . 1 1 96 96 GLN HG2 H 1 2.268 0.030 . 1 . . . . 96 GLN HG2 . 11229 1 1152 . 1 1 96 96 GLN HG3 H 1 2.268 0.030 . 1 . . . . 96 GLN HG3 . 11229 1 1153 . 1 1 96 96 GLN C C 13 175.095 0.300 . 1 . . . . 96 GLN C . 11229 1 1154 . 1 1 96 96 GLN CA C 13 53.575 0.300 . 1 . . . . 96 GLN CA . 11229 1 1155 . 1 1 96 96 GLN CB C 13 32.300 0.300 . 1 . . . . 96 GLN CB . 11229 1 1156 . 1 1 96 96 GLN CG C 13 33.324 0.300 . 1 . . . . 96 GLN CG . 11229 1 1157 . 1 1 96 96 GLN N N 15 123.546 0.300 . 1 . . . . 96 GLN N . 11229 1 1158 . 1 1 96 96 GLN NE2 N 15 111.226 0.300 . 1 . . . . 96 GLN NE2 . 11229 1 1159 . 1 1 97 97 ASP H H 1 8.672 0.030 . 1 . . . . 97 ASP H . 11229 1 1160 . 1 1 97 97 ASP HA H 1 4.989 0.030 . 1 . . . . 97 ASP HA . 11229 1 1161 . 1 1 97 97 ASP HB2 H 1 2.448 0.030 . 2 . . . . 97 ASP HB2 . 11229 1 1162 . 1 1 97 97 ASP HB3 H 1 2.804 0.030 . 2 . . . . 97 ASP HB3 . 11229 1 1163 . 1 1 97 97 ASP C C 13 175.150 0.300 . 1 . . . . 97 ASP C . 11229 1 1164 . 1 1 97 97 ASP CA C 13 52.581 0.300 . 1 . . . . 97 ASP CA . 11229 1 1165 . 1 1 97 97 ASP CB C 13 40.597 0.300 . 1 . . . . 97 ASP CB . 11229 1 1166 . 1 1 97 97 ASP N N 15 123.114 0.300 . 1 . . . . 97 ASP N . 11229 1 1167 . 1 1 98 98 PRO HA H 1 4.528 0.030 . 1 . . . . 98 PRO HA . 11229 1 1168 . 1 1 98 98 PRO HB2 H 1 2.329 0.030 . 2 . . . . 98 PRO HB2 . 11229 1 1169 . 1 1 98 98 PRO HB3 H 1 2.040 0.030 . 2 . . . . 98 PRO HB3 . 11229 1 1170 . 1 1 98 98 PRO HD2 H 1 3.832 0.030 . 2 . . . . 98 PRO HD2 . 11229 1 1171 . 1 1 98 98 PRO HD3 H 1 3.920 0.030 . 2 . . . . 98 PRO HD3 . 11229 1 1172 . 1 1 98 98 PRO HG2 H 1 2.090 0.030 . 1 . . . . 98 PRO HG2 . 11229 1 1173 . 1 1 98 98 PRO HG3 H 1 2.090 0.030 . 1 . . . . 98 PRO HG3 . 11229 1 1174 . 1 1 98 98 PRO C C 13 176.907 0.300 . 1 . . . . 98 PRO C . 11229 1 1175 . 1 1 98 98 PRO CA C 13 63.397 0.300 . 1 . . . . 98 PRO CA . 11229 1 1176 . 1 1 98 98 PRO CB C 13 32.072 0.300 . 1 . . . . 98 PRO CB . 11229 1 1177 . 1 1 98 98 PRO CD C 13 50.700 0.300 . 1 . . . . 98 PRO CD . 11229 1 1178 . 1 1 98 98 PRO CG C 13 27.215 0.300 . 1 . . . . 98 PRO CG . 11229 1 1179 . 1 1 99 99 SER H H 1 8.493 0.030 . 1 . . . . 99 SER H . 11229 1 1180 . 1 1 99 99 SER HA H 1 4.467 0.030 . 1 . . . . 99 SER HA . 11229 1 1181 . 1 1 99 99 SER HB2 H 1 3.896 0.030 . 1 . . . . 99 SER HB2 . 11229 1 1182 . 1 1 99 99 SER HB3 H 1 3.896 0.030 . 1 . . . . 99 SER HB3 . 11229 1 1183 . 1 1 99 99 SER C C 13 174.699 0.300 . 1 . . . . 99 SER C . 11229 1 1184 . 1 1 99 99 SER CA C 13 58.452 0.300 . 1 . . . . 99 SER CA . 11229 1 1185 . 1 1 99 99 SER CB C 13 63.929 0.300 . 1 . . . . 99 SER CB . 11229 1 1186 . 1 1 99 99 SER N N 15 116.055 0.300 . 1 . . . . 99 SER N . 11229 1 1187 . 1 1 100 100 GLY H H 1 8.167 0.030 . 1 . . . . 100 GLY H . 11229 1 1188 . 1 1 100 100 GLY HA2 H 1 4.185 0.030 . 2 . . . . 100 GLY HA2 . 11229 1 1189 . 1 1 100 100 GLY HA3 H 1 4.088 0.030 . 2 . . . . 100 GLY HA3 . 11229 1 1190 . 1 1 100 100 GLY C C 13 171.775 0.300 . 1 . . . . 100 GLY C . 11229 1 1191 . 1 1 100 100 GLY CA C 13 44.670 0.300 . 1 . . . . 100 GLY CA . 11229 1 1192 . 1 1 100 100 GLY N N 15 110.525 0.300 . 1 . . . . 100 GLY N . 11229 1 1193 . 1 1 101 101 PRO HA H 1 4.528 0.030 . 1 . . . . 101 PRO HA . 11229 1 1194 . 1 1 101 101 PRO HB2 H 1 2.329 0.030 . 2 . . . . 101 PRO HB2 . 11229 1 1195 . 1 1 101 101 PRO HB3 H 1 2.043 0.030 . 2 . . . . 101 PRO HB3 . 11229 1 1196 . 1 1 101 101 PRO HD2 H 1 3.644 0.030 . 1 . . . . 101 PRO HD2 . 11229 1 1197 . 1 1 101 101 PRO HD3 H 1 3.644 0.030 . 1 . . . . 101 PRO HD3 . 11229 1 1198 . 1 1 101 101 PRO HG2 H 1 2.035 0.030 . 1 . . . . 101 PRO HG2 . 11229 1 1199 . 1 1 101 101 PRO HG3 H 1 2.035 0.030 . 1 . . . . 101 PRO HG3 . 11229 1 1200 . 1 1 101 101 PRO C C 13 177.403 0.300 . 1 . . . . 101 PRO C . 11229 1 1201 . 1 1 101 101 PRO CA C 13 63.381 0.300 . 1 . . . . 101 PRO CA . 11229 1 1202 . 1 1 101 101 PRO CB C 13 32.033 0.300 . 1 . . . . 101 PRO CB . 11229 1 1203 . 1 1 101 101 PRO CD C 13 49.730 0.300 . 1 . . . . 101 PRO CD . 11229 1 1204 . 1 1 101 101 PRO CG C 13 27.170 0.300 . 1 . . . . 101 PRO CG . 11229 1 1205 . 1 1 102 102 SER H H 1 8.530 0.030 . 1 . . . . 102 SER H . 11229 1 1206 . 1 1 102 102 SER HA H 1 4.521 0.030 . 1 . . . . 102 SER HA . 11229 1 1207 . 1 1 102 102 SER HB2 H 1 3.923 0.030 . 1 . . . . 102 SER HB2 . 11229 1 1208 . 1 1 102 102 SER HB3 H 1 3.923 0.030 . 1 . . . . 102 SER HB3 . 11229 1 1209 . 1 1 102 102 SER C C 13 174.723 0.300 . 1 . . . . 102 SER C . 11229 1 1210 . 1 1 102 102 SER CA C 13 58.362 0.300 . 1 . . . . 102 SER CA . 11229 1 1211 . 1 1 102 102 SER CB C 13 63.868 0.300 . 1 . . . . 102 SER CB . 11229 1 1212 . 1 1 102 102 SER N N 15 116.485 0.300 . 1 . . . . 102 SER N . 11229 1 1213 . 1 1 103 103 SER H H 1 8.349 0.030 . 1 . . . . 103 SER H . 11229 1 1214 . 1 1 103 103 SER HA H 1 4.502 0.030 . 1 . . . . 103 SER HA . 11229 1 1215 . 1 1 103 103 SER HB2 H 1 3.904 0.030 . 1 . . . . 103 SER HB2 . 11229 1 1216 . 1 1 103 103 SER HB3 H 1 3.904 0.030 . 1 . . . . 103 SER HB3 . 11229 1 1217 . 1 1 103 103 SER C C 13 173.949 0.300 . 1 . . . . 103 SER C . 11229 1 1218 . 1 1 103 103 SER CA C 13 58.362 0.300 . 1 . . . . 103 SER CA . 11229 1 1219 . 1 1 103 103 SER CB C 13 64.112 0.300 . 1 . . . . 103 SER CB . 11229 1 1220 . 1 1 103 103 SER N N 15 117.966 0.300 . 1 . . . . 103 SER N . 11229 1 1221 . 1 1 104 104 GLY H H 1 8.052 0.030 . 1 . . . . 104 GLY H . 11229 1 1222 . 1 1 104 104 GLY HA2 H 1 3.798 0.030 . 2 . . . . 104 GLY HA2 . 11229 1 1223 . 1 1 104 104 GLY HA3 H 1 3.767 0.030 . 2 . . . . 104 GLY HA3 . 11229 1 1224 . 1 1 104 104 GLY C C 13 179.036 0.300 . 1 . . . . 104 GLY C . 11229 1 1225 . 1 1 104 104 GLY CA C 13 46.283 0.300 . 1 . . . . 104 GLY CA . 11229 1 1226 . 1 1 104 104 GLY N N 15 116.904 0.300 . 1 . . . . 104 GLY N . 11229 1 stop_ save_