data_11103 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11103 _Entry.Title ; Solution structure of the second fibronectin type III domain of human Netrin receptor DCC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-17 _Entry.Original_release_date 2011-02-17 _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 N. Tochio . . . 11103 2 S. Koshiba . . . 11103 3 T. Tomizawa . . . 11103 4 T. Kigawa . . . 11103 5 S. Yokoyama . . . 11103 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)' . 11103 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11103 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 11103 '15N chemical shifts' 98 11103 '1H chemical shifts' 671 11103 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 . . 2011-02-17 2010-02-18 original author . 11103 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ED8 'BMRB Entry Tracking System' 11103 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11103 _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 second fibronectin type III domain of human Netrin receptor DCC ; _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 N. Tochio . . . 11103 1 2 S. Koshiba . . . 11103 1 3 T. Tomizawa . . . 11103 1 4 T. Kigawa . . . 11103 1 5 S. Yokoyama . . . 11103 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11103 _Assembly.ID 1 _Assembly.Name 'Netrin receptor DCC' _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 'second fn3 domain, Fibronectin type-III 2' 1 $entity_1 A . yes native no no . . . 11103 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 2ed8 . . . . . . 11103 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11103 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'second fn3 domain, Fibronectin type-III 2' _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 ; GSSGSSGPGPVENLQAVSTS PTSILITWEPPAYANGPVQG YRLFCTEVSTGKEQNIEVDG LSYKLEGLKKFTEYSLRFLA YNRYGPGVSTDDITVVTLSD SGPSSG ; _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 106 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2ED8 . "Solution Structure Of The Second Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" . . . . . 100.00 106 100.00 100.00 2.97e-68 . . . . 11103 1 2 no REF XP_003914439 . "PREDICTED: netrin receptor DCC-like [Papio anubis]" . . . . . 87.74 199 100.00 100.00 3.89e-59 . . . . 11103 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'second fn3 domain, Fibronectin type-III 2' . 11103 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 . 11103 1 2 . SER . 11103 1 3 . SER . 11103 1 4 . GLY . 11103 1 5 . SER . 11103 1 6 . SER . 11103 1 7 . GLY . 11103 1 8 . PRO . 11103 1 9 . GLY . 11103 1 10 . PRO . 11103 1 11 . VAL . 11103 1 12 . GLU . 11103 1 13 . ASN . 11103 1 14 . LEU . 11103 1 15 . GLN . 11103 1 16 . ALA . 11103 1 17 . VAL . 11103 1 18 . SER . 11103 1 19 . THR . 11103 1 20 . SER . 11103 1 21 . PRO . 11103 1 22 . THR . 11103 1 23 . SER . 11103 1 24 . ILE . 11103 1 25 . LEU . 11103 1 26 . ILE . 11103 1 27 . THR . 11103 1 28 . TRP . 11103 1 29 . GLU . 11103 1 30 . PRO . 11103 1 31 . PRO . 11103 1 32 . ALA . 11103 1 33 . TYR . 11103 1 34 . ALA . 11103 1 35 . ASN . 11103 1 36 . GLY . 11103 1 37 . PRO . 11103 1 38 . VAL . 11103 1 39 . GLN . 11103 1 40 . GLY . 11103 1 41 . TYR . 11103 1 42 . ARG . 11103 1 43 . LEU . 11103 1 44 . PHE . 11103 1 45 . CYS . 11103 1 46 . THR . 11103 1 47 . GLU . 11103 1 48 . VAL . 11103 1 49 . SER . 11103 1 50 . THR . 11103 1 51 . GLY . 11103 1 52 . LYS . 11103 1 53 . GLU . 11103 1 54 . GLN . 11103 1 55 . ASN . 11103 1 56 . ILE . 11103 1 57 . GLU . 11103 1 58 . VAL . 11103 1 59 . ASP . 11103 1 60 . GLY . 11103 1 61 . LEU . 11103 1 62 . SER . 11103 1 63 . TYR . 11103 1 64 . LYS . 11103 1 65 . LEU . 11103 1 66 . GLU . 11103 1 67 . GLY . 11103 1 68 . LEU . 11103 1 69 . LYS . 11103 1 70 . LYS . 11103 1 71 . PHE . 11103 1 72 . THR . 11103 1 73 . GLU . 11103 1 74 . TYR . 11103 1 75 . SER . 11103 1 76 . LEU . 11103 1 77 . ARG . 11103 1 78 . PHE . 11103 1 79 . LEU . 11103 1 80 . ALA . 11103 1 81 . TYR . 11103 1 82 . ASN . 11103 1 83 . ARG . 11103 1 84 . TYR . 11103 1 85 . GLY . 11103 1 86 . PRO . 11103 1 87 . GLY . 11103 1 88 . VAL . 11103 1 89 . SER . 11103 1 90 . THR . 11103 1 91 . ASP . 11103 1 92 . ASP . 11103 1 93 . ILE . 11103 1 94 . THR . 11103 1 95 . VAL . 11103 1 96 . VAL . 11103 1 97 . THR . 11103 1 98 . LEU . 11103 1 99 . SER . 11103 1 100 . ASP . 11103 1 101 . SER . 11103 1 102 . GLY . 11103 1 103 . PRO . 11103 1 104 . SER . 11103 1 105 . SER . 11103 1 106 . GLY . 11103 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 11103 1 . SER 2 2 11103 1 . SER 3 3 11103 1 . GLY 4 4 11103 1 . SER 5 5 11103 1 . SER 6 6 11103 1 . GLY 7 7 11103 1 . PRO 8 8 11103 1 . GLY 9 9 11103 1 . PRO 10 10 11103 1 . VAL 11 11 11103 1 . GLU 12 12 11103 1 . ASN 13 13 11103 1 . LEU 14 14 11103 1 . GLN 15 15 11103 1 . ALA 16 16 11103 1 . VAL 17 17 11103 1 . SER 18 18 11103 1 . THR 19 19 11103 1 . SER 20 20 11103 1 . PRO 21 21 11103 1 . THR 22 22 11103 1 . SER 23 23 11103 1 . ILE 24 24 11103 1 . LEU 25 25 11103 1 . ILE 26 26 11103 1 . THR 27 27 11103 1 . TRP 28 28 11103 1 . GLU 29 29 11103 1 . PRO 30 30 11103 1 . PRO 31 31 11103 1 . ALA 32 32 11103 1 . TYR 33 33 11103 1 . ALA 34 34 11103 1 . ASN 35 35 11103 1 . GLY 36 36 11103 1 . PRO 37 37 11103 1 . VAL 38 38 11103 1 . GLN 39 39 11103 1 . GLY 40 40 11103 1 . TYR 41 41 11103 1 . ARG 42 42 11103 1 . LEU 43 43 11103 1 . PHE 44 44 11103 1 . CYS 45 45 11103 1 . THR 46 46 11103 1 . GLU 47 47 11103 1 . VAL 48 48 11103 1 . SER 49 49 11103 1 . THR 50 50 11103 1 . GLY 51 51 11103 1 . LYS 52 52 11103 1 . GLU 53 53 11103 1 . GLN 54 54 11103 1 . ASN 55 55 11103 1 . ILE 56 56 11103 1 . GLU 57 57 11103 1 . VAL 58 58 11103 1 . ASP 59 59 11103 1 . GLY 60 60 11103 1 . LEU 61 61 11103 1 . SER 62 62 11103 1 . TYR 63 63 11103 1 . LYS 64 64 11103 1 . LEU 65 65 11103 1 . GLU 66 66 11103 1 . GLY 67 67 11103 1 . LEU 68 68 11103 1 . LYS 69 69 11103 1 . LYS 70 70 11103 1 . PHE 71 71 11103 1 . THR 72 72 11103 1 . GLU 73 73 11103 1 . TYR 74 74 11103 1 . SER 75 75 11103 1 . LEU 76 76 11103 1 . ARG 77 77 11103 1 . PHE 78 78 11103 1 . LEU 79 79 11103 1 . ALA 80 80 11103 1 . TYR 81 81 11103 1 . ASN 82 82 11103 1 . ARG 83 83 11103 1 . TYR 84 84 11103 1 . GLY 85 85 11103 1 . PRO 86 86 11103 1 . GLY 87 87 11103 1 . VAL 88 88 11103 1 . SER 89 89 11103 1 . THR 90 90 11103 1 . ASP 91 91 11103 1 . ASP 92 92 11103 1 . ILE 93 93 11103 1 . THR 94 94 11103 1 . VAL 95 95 11103 1 . VAL 96 96 11103 1 . THR 97 97 11103 1 . LEU 98 98 11103 1 . SER 99 99 11103 1 . ASP 100 100 11103 1 . SER 101 101 11103 1 . GLY 102 102 11103 1 . PRO 103 103 11103 1 . SER 104 104 11103 1 . SER 105 105 11103 1 . GLY 106 106 11103 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 11103 _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 . . . . . . . . . . . . . . . . . . . . . 11103 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 11103 _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 . . . . . . . . . . . . . . . . P050905-21 . . . . . . 11103 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11103 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM sample [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O, 90% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'second fn3 domain, Fibronectin type-III 2' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11103 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11103 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11103 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11103 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11103 1 6 H2O . . . . . . solvent 90 . . % . . . . 11103 1 7 D2O . . . . . . solvent 10 . . % . . . . 11103 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 11103 _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 11103 1 pH 7.0 0.05 pH 11103 1 pressure 1 0.001 atm 11103 1 temperature 296 0.1 K 11103 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11103 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11103 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11103 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11103 _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.' . . 11103 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11103 2 stop_ save_ save_NMNMRView _Software.Sf_category software _Software.Sf_framecode NMNMRView _Software.Entry_ID 11103 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11103 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11103 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11103 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11103 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11103 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11103 _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.' . . 11103 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11103 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 11103 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11103 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11103 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 11103 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11103 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11103 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 11103 _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 . . . . . . . . . 11103 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11103 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11103 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 11103 _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 1H-15N NOESY' 1 $sample_1 isotropic 11103 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11103 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11103 1 2 $NMRPipe . . 11103 1 3 $NMNMRView . . 11103 1 4 $Kujira . . 11103 1 5 $CYANA . . 11103 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 5 5 SER H H 1 8.070 0.030 . 1 . . . . 5 SER H . 11103 1 2 . 1 1 5 5 SER HA H 1 4.151 0.030 . 1 . . . . 5 SER HA . 11103 1 3 . 1 1 5 5 SER HB2 H 1 3.622 0.030 . 2 . . . . 5 SER HB2 . 11103 1 4 . 1 1 5 5 SER HB3 H 1 3.496 0.030 . 2 . . . . 5 SER HB3 . 11103 1 5 . 1 1 5 5 SER C C 13 174.030 0.300 . 1 . . . . 5 SER C . 11103 1 6 . 1 1 5 5 SER CA C 13 57.579 0.300 . 1 . . . . 5 SER CA . 11103 1 7 . 1 1 5 5 SER CB C 13 63.586 0.300 . 1 . . . . 5 SER CB . 11103 1 8 . 1 1 5 5 SER N N 15 115.524 0.300 . 1 . . . . 5 SER N . 11103 1 9 . 1 1 6 6 SER HA H 1 4.475 0.030 . 1 . . . . 6 SER HA . 11103 1 10 . 1 1 6 6 SER HB2 H 1 3.760 0.030 . 1 . . . . 6 SER HB2 . 11103 1 11 . 1 1 6 6 SER HB3 H 1 3.760 0.030 . 1 . . . . 6 SER HB3 . 11103 1 12 . 1 1 6 6 SER CA C 13 58.114 0.300 . 1 . . . . 6 SER CA . 11103 1 13 . 1 1 6 6 SER CB C 13 64.481 0.300 . 1 . . . . 6 SER CB . 11103 1 14 . 1 1 7 7 GLY H H 1 8.192 0.030 . 1 . . . . 7 GLY H . 11103 1 15 . 1 1 7 7 GLY HA2 H 1 3.507 0.030 . 2 . . . . 7 GLY HA2 . 11103 1 16 . 1 1 7 7 GLY HA3 H 1 4.362 0.030 . 2 . . . . 7 GLY HA3 . 11103 1 17 . 1 1 7 7 GLY CA C 13 44.428 0.300 . 1 . . . . 7 GLY CA . 11103 1 18 . 1 1 7 7 GLY N N 15 108.695 0.300 . 1 . . . . 7 GLY N . 11103 1 19 . 1 1 8 8 PRO HA H 1 4.468 0.030 . 1 . . . . 8 PRO HA . 11103 1 20 . 1 1 8 8 PRO HB2 H 1 2.279 0.030 . 2 . . . . 8 PRO HB2 . 11103 1 21 . 1 1 8 8 PRO HB3 H 1 2.076 0.030 . 2 . . . . 8 PRO HB3 . 11103 1 22 . 1 1 8 8 PRO HD2 H 1 3.545 0.030 . 2 . . . . 8 PRO HD2 . 11103 1 23 . 1 1 8 8 PRO HD3 H 1 3.284 0.030 . 2 . . . . 8 PRO HD3 . 11103 1 24 . 1 1 8 8 PRO HG2 H 1 1.688 0.030 . 2 . . . . 8 PRO HG2 . 11103 1 25 . 1 1 8 8 PRO HG3 H 1 1.568 0.030 . 2 . . . . 8 PRO HG3 . 11103 1 26 . 1 1 8 8 PRO C C 13 175.520 0.300 . 1 . . . . 8 PRO C . 11103 1 27 . 1 1 8 8 PRO CA C 13 62.850 0.300 . 1 . . . . 8 PRO CA . 11103 1 28 . 1 1 8 8 PRO CB C 13 33.295 0.300 . 1 . . . . 8 PRO CB . 11103 1 29 . 1 1 8 8 PRO CD C 13 49.247 0.300 . 1 . . . . 8 PRO CD . 11103 1 30 . 1 1 8 8 PRO CG C 13 27.531 0.300 . 1 . . . . 8 PRO CG . 11103 1 31 . 1 1 9 9 GLY H H 1 8.002 0.030 . 1 . . . . 9 GLY H . 11103 1 32 . 1 1 9 9 GLY HA2 H 1 4.212 0.030 . 2 . . . . 9 GLY HA2 . 11103 1 33 . 1 1 9 9 GLY HA3 H 1 3.856 0.030 . 2 . . . . 9 GLY HA3 . 11103 1 34 . 1 1 9 9 GLY C C 13 170.023 0.300 . 1 . . . . 9 GLY C . 11103 1 35 . 1 1 9 9 GLY CA C 13 44.662 0.300 . 1 . . . . 9 GLY CA . 11103 1 36 . 1 1 9 9 GLY N N 15 104.485 0.300 . 1 . . . . 9 GLY N . 11103 1 37 . 1 1 10 10 PRO HA H 1 4.681 0.030 . 1 . . . . 10 PRO HA . 11103 1 38 . 1 1 10 10 PRO HB2 H 1 2.046 0.030 . 1 . . . . 10 PRO HB2 . 11103 1 39 . 1 1 10 10 PRO HB3 H 1 2.046 0.030 . 1 . . . . 10 PRO HB3 . 11103 1 40 . 1 1 10 10 PRO HD2 H 1 3.741 0.030 . 2 . . . . 10 PRO HD2 . 11103 1 41 . 1 1 10 10 PRO HD3 H 1 3.452 0.030 . 2 . . . . 10 PRO HD3 . 11103 1 42 . 1 1 10 10 PRO HG2 H 1 2.076 0.030 . 1 . . . . 10 PRO HG2 . 11103 1 43 . 1 1 10 10 PRO HG3 H 1 2.076 0.030 . 1 . . . . 10 PRO HG3 . 11103 1 44 . 1 1 10 10 PRO C C 13 177.623 0.300 . 1 . . . . 10 PRO C . 11103 1 45 . 1 1 10 10 PRO CA C 13 62.344 0.300 . 1 . . . . 10 PRO CA . 11103 1 46 . 1 1 10 10 PRO CB C 13 31.655 0.300 . 1 . . . . 10 PRO CB . 11103 1 47 . 1 1 10 10 PRO CD C 13 49.184 0.300 . 1 . . . . 10 PRO CD . 11103 1 48 . 1 1 10 10 PRO CG C 13 26.922 0.300 . 1 . . . . 10 PRO CG . 11103 1 49 . 1 1 11 11 VAL H H 1 8.558 0.030 . 1 . . . . 11 VAL H . 11103 1 50 . 1 1 11 11 VAL HA H 1 3.887 0.030 . 1 . . . . 11 VAL HA . 11103 1 51 . 1 1 11 11 VAL HB H 1 2.584 0.030 . 1 . . . . 11 VAL HB . 11103 1 52 . 1 1 11 11 VAL HG11 H 1 1.220 0.030 . 1 . . . . 11 VAL HG1 . 11103 1 53 . 1 1 11 11 VAL HG12 H 1 1.220 0.030 . 1 . . . . 11 VAL HG1 . 11103 1 54 . 1 1 11 11 VAL HG13 H 1 1.220 0.030 . 1 . . . . 11 VAL HG1 . 11103 1 55 . 1 1 11 11 VAL HG21 H 1 0.949 0.030 . 1 . . . . 11 VAL HG2 . 11103 1 56 . 1 1 11 11 VAL HG22 H 1 0.949 0.030 . 1 . . . . 11 VAL HG2 . 11103 1 57 . 1 1 11 11 VAL HG23 H 1 0.949 0.030 . 1 . . . . 11 VAL HG2 . 11103 1 58 . 1 1 11 11 VAL C C 13 175.057 0.300 . 1 . . . . 11 VAL C . 11103 1 59 . 1 1 11 11 VAL CA C 13 63.389 0.300 . 1 . . . . 11 VAL CA . 11103 1 60 . 1 1 11 11 VAL CB C 13 31.443 0.300 . 1 . . . . 11 VAL CB . 11103 1 61 . 1 1 11 11 VAL CG1 C 13 22.961 0.300 . 2 . . . . 11 VAL CG1 . 11103 1 62 . 1 1 11 11 VAL CG2 C 13 20.026 0.300 . 2 . . . . 11 VAL CG2 . 11103 1 63 . 1 1 11 11 VAL N N 15 115.279 0.300 . 1 . . . . 11 VAL N . 11103 1 64 . 1 1 12 12 GLU H H 1 7.570 0.030 . 1 . . . . 12 GLU H . 11103 1 65 . 1 1 12 12 GLU HA H 1 4.492 0.030 . 1 . . . . 12 GLU HA . 11103 1 66 . 1 1 12 12 GLU HB2 H 1 1.945 0.030 . 2 . . . . 12 GLU HB2 . 11103 1 67 . 1 1 12 12 GLU HB3 H 1 1.682 0.030 . 2 . . . . 12 GLU HB3 . 11103 1 68 . 1 1 12 12 GLU HG2 H 1 2.390 0.030 . 2 . . . . 12 GLU HG2 . 11103 1 69 . 1 1 12 12 GLU HG3 H 1 2.239 0.030 . 2 . . . . 12 GLU HG3 . 11103 1 70 . 1 1 12 12 GLU C C 13 175.136 0.300 . 1 . . . . 12 GLU C . 11103 1 71 . 1 1 12 12 GLU CA C 13 55.012 0.300 . 1 . . . . 12 GLU CA . 11103 1 72 . 1 1 12 12 GLU CB C 13 32.208 0.300 . 1 . . . . 12 GLU CB . 11103 1 73 . 1 1 12 12 GLU CG C 13 36.165 0.300 . 1 . . . . 12 GLU CG . 11103 1 74 . 1 1 12 12 GLU N N 15 121.724 0.300 . 1 . . . . 12 GLU N . 11103 1 75 . 1 1 13 13 ASN H H 1 8.784 0.030 . 1 . . . . 13 ASN H . 11103 1 76 . 1 1 13 13 ASN HA H 1 4.267 0.030 . 1 . . . . 13 ASN HA . 11103 1 77 . 1 1 13 13 ASN HB2 H 1 2.911 0.030 . 2 . . . . 13 ASN HB2 . 11103 1 78 . 1 1 13 13 ASN HB3 H 1 2.375 0.030 . 2 . . . . 13 ASN HB3 . 11103 1 79 . 1 1 13 13 ASN HD21 H 1 7.615 0.030 . 2 . . . . 13 ASN HD21 . 11103 1 80 . 1 1 13 13 ASN HD22 H 1 6.601 0.030 . 2 . . . . 13 ASN HD22 . 11103 1 81 . 1 1 13 13 ASN C C 13 173.362 0.300 . 1 . . . . 13 ASN C . 11103 1 82 . 1 1 13 13 ASN CA C 13 53.175 0.300 . 1 . . . . 13 ASN CA . 11103 1 83 . 1 1 13 13 ASN CB C 13 37.467 0.300 . 1 . . . . 13 ASN CB . 11103 1 84 . 1 1 13 13 ASN N N 15 116.921 0.300 . 1 . . . . 13 ASN N . 11103 1 85 . 1 1 13 13 ASN ND2 N 15 111.714 0.300 . 1 . . . . 13 ASN ND2 . 11103 1 86 . 1 1 14 14 LEU H H 1 8.068 0.030 . 1 . . . . 14 LEU H . 11103 1 87 . 1 1 14 14 LEU HA H 1 4.834 0.030 . 1 . . . . 14 LEU HA . 11103 1 88 . 1 1 14 14 LEU HB2 H 1 1.701 0.030 . 2 . . . . 14 LEU HB2 . 11103 1 89 . 1 1 14 14 LEU HB3 H 1 1.182 0.030 . 2 . . . . 14 LEU HB3 . 11103 1 90 . 1 1 14 14 LEU HD11 H 1 0.362 0.030 . 1 . . . . 14 LEU HD1 . 11103 1 91 . 1 1 14 14 LEU HD12 H 1 0.362 0.030 . 1 . . . . 14 LEU HD1 . 11103 1 92 . 1 1 14 14 LEU HD13 H 1 0.362 0.030 . 1 . . . . 14 LEU HD1 . 11103 1 93 . 1 1 14 14 LEU HD21 H 1 0.669 0.030 . 1 . . . . 14 LEU HD2 . 11103 1 94 . 1 1 14 14 LEU HD22 H 1 0.669 0.030 . 1 . . . . 14 LEU HD2 . 11103 1 95 . 1 1 14 14 LEU HD23 H 1 0.669 0.030 . 1 . . . . 14 LEU HD2 . 11103 1 96 . 1 1 14 14 LEU HG H 1 1.333 0.030 . 1 . . . . 14 LEU HG . 11103 1 97 . 1 1 14 14 LEU C C 13 177.365 0.300 . 1 . . . . 14 LEU C . 11103 1 98 . 1 1 14 14 LEU CA C 13 55.869 0.300 . 1 . . . . 14 LEU CA . 11103 1 99 . 1 1 14 14 LEU CB C 13 42.173 0.300 . 1 . . . . 14 LEU CB . 11103 1 100 . 1 1 14 14 LEU CD1 C 13 25.037 0.300 . 2 . . . . 14 LEU CD1 . 11103 1 101 . 1 1 14 14 LEU CD2 C 13 26.699 0.300 . 2 . . . . 14 LEU CD2 . 11103 1 102 . 1 1 14 14 LEU CG C 13 27.364 0.300 . 1 . . . . 14 LEU CG . 11103 1 103 . 1 1 14 14 LEU N N 15 119.612 0.300 . 1 . . . . 14 LEU N . 11103 1 104 . 1 1 15 15 GLN H H 1 9.286 0.030 . 1 . . . . 15 GLN H . 11103 1 105 . 1 1 15 15 GLN HA H 1 4.602 0.030 . 1 . . . . 15 GLN HA . 11103 1 106 . 1 1 15 15 GLN HB2 H 1 1.820 0.030 . 2 . . . . 15 GLN HB2 . 11103 1 107 . 1 1 15 15 GLN HB3 H 1 1.946 0.030 . 2 . . . . 15 GLN HB3 . 11103 1 108 . 1 1 15 15 GLN HE21 H 1 6.678 0.030 . 2 . . . . 15 GLN HE21 . 11103 1 109 . 1 1 15 15 GLN HE22 H 1 7.419 0.030 . 2 . . . . 15 GLN HE22 . 11103 1 110 . 1 1 15 15 GLN HG2 H 1 2.197 0.030 . 2 . . . . 15 GLN HG2 . 11103 1 111 . 1 1 15 15 GLN HG3 H 1 2.135 0.030 . 2 . . . . 15 GLN HG3 . 11103 1 112 . 1 1 15 15 GLN C C 13 173.362 0.300 . 1 . . . . 15 GLN C . 11103 1 113 . 1 1 15 15 GLN CA C 13 54.787 0.300 . 1 . . . . 15 GLN CA . 11103 1 114 . 1 1 15 15 GLN CB C 13 32.761 0.300 . 1 . . . . 15 GLN CB . 11103 1 115 . 1 1 15 15 GLN CG C 13 34.004 0.300 . 1 . . . . 15 GLN CG . 11103 1 116 . 1 1 15 15 GLN N N 15 127.252 0.300 . 1 . . . . 15 GLN N . 11103 1 117 . 1 1 15 15 GLN NE2 N 15 111.893 0.300 . 1 . . . . 15 GLN NE2 . 11103 1 118 . 1 1 16 16 ALA H H 1 8.561 0.030 . 1 . . . . 16 ALA H . 11103 1 119 . 1 1 16 16 ALA HA H 1 5.452 0.030 . 1 . . . . 16 ALA HA . 11103 1 120 . 1 1 16 16 ALA HB1 H 1 1.050 0.030 . 1 . . . . 16 ALA HB . 11103 1 121 . 1 1 16 16 ALA HB2 H 1 1.050 0.030 . 1 . . . . 16 ALA HB . 11103 1 122 . 1 1 16 16 ALA HB3 H 1 1.050 0.030 . 1 . . . . 16 ALA HB . 11103 1 123 . 1 1 16 16 ALA C C 13 175.009 0.300 . 1 . . . . 16 ALA C . 11103 1 124 . 1 1 16 16 ALA CA C 13 50.619 0.300 . 1 . . . . 16 ALA CA . 11103 1 125 . 1 1 16 16 ALA CB C 13 22.502 0.300 . 1 . . . . 16 ALA CB . 11103 1 126 . 1 1 16 16 ALA N N 15 124.498 0.300 . 1 . . . . 16 ALA N . 11103 1 127 . 1 1 17 17 VAL H H 1 8.624 0.030 . 1 . . . . 17 VAL H . 11103 1 128 . 1 1 17 17 VAL HA H 1 4.466 0.030 . 1 . . . . 17 VAL HA . 11103 1 129 . 1 1 17 17 VAL HB H 1 2.017 0.030 . 1 . . . . 17 VAL HB . 11103 1 130 . 1 1 17 17 VAL HG11 H 1 0.902 0.030 . 1 . . . . 17 VAL HG1 . 11103 1 131 . 1 1 17 17 VAL HG12 H 1 0.902 0.030 . 1 . . . . 17 VAL HG1 . 11103 1 132 . 1 1 17 17 VAL HG13 H 1 0.902 0.030 . 1 . . . . 17 VAL HG1 . 11103 1 133 . 1 1 17 17 VAL C C 13 174.167 0.300 . 1 . . . . 17 VAL C . 11103 1 134 . 1 1 17 17 VAL CA C 13 59.677 0.300 . 1 . . . . 17 VAL CA . 11103 1 135 . 1 1 17 17 VAL CB C 13 36.107 0.300 . 1 . . . . 17 VAL CB . 11103 1 136 . 1 1 17 17 VAL CG1 C 13 20.340 0.300 . 2 . . . . 17 VAL CG1 . 11103 1 137 . 1 1 17 17 VAL N N 15 119.168 0.300 . 1 . . . . 17 VAL N . 11103 1 138 . 1 1 18 18 SER H H 1 9.198 0.030 . 1 . . . . 18 SER H . 11103 1 139 . 1 1 18 18 SER HA H 1 5.233 0.030 . 1 . . . . 18 SER HA . 11103 1 140 . 1 1 18 18 SER HB2 H 1 3.877 0.030 . 2 . . . . 18 SER HB2 . 11103 1 141 . 1 1 18 18 SER HB3 H 1 3.683 0.030 . 2 . . . . 18 SER HB3 . 11103 1 142 . 1 1 18 18 SER C C 13 174.770 0.300 . 1 . . . . 18 SER C . 11103 1 143 . 1 1 18 18 SER CA C 13 57.618 0.300 . 1 . . . . 18 SER CA . 11103 1 144 . 1 1 18 18 SER CB C 13 63.521 0.300 . 1 . . . . 18 SER CB . 11103 1 145 . 1 1 18 18 SER N N 15 120.072 0.300 . 1 . . . . 18 SER N . 11103 1 146 . 1 1 19 19 THR H H 1 8.180 0.030 . 1 . . . . 19 THR H . 11103 1 147 . 1 1 19 19 THR HA H 1 4.467 0.030 . 1 . . . . 19 THR HA . 11103 1 148 . 1 1 19 19 THR HB H 1 4.439 0.030 . 1 . . . . 19 THR HB . 11103 1 149 . 1 1 19 19 THR HG21 H 1 1.156 0.030 . 1 . . . . 19 THR HG2 . 11103 1 150 . 1 1 19 19 THR HG22 H 1 1.156 0.030 . 1 . . . . 19 THR HG2 . 11103 1 151 . 1 1 19 19 THR HG23 H 1 1.156 0.030 . 1 . . . . 19 THR HG2 . 11103 1 152 . 1 1 19 19 THR C C 13 174.540 0.300 . 1 . . . . 19 THR C . 11103 1 153 . 1 1 19 19 THR CA C 13 61.177 0.300 . 1 . . . . 19 THR CA . 11103 1 154 . 1 1 19 19 THR CB C 13 69.192 0.300 . 1 . . . . 19 THR CB . 11103 1 155 . 1 1 19 19 THR CG2 C 13 22.928 0.300 . 1 . . . . 19 THR CG2 . 11103 1 156 . 1 1 19 19 THR N N 15 117.031 0.300 . 1 . . . . 19 THR N . 11103 1 157 . 1 1 20 20 SER H H 1 8.402 0.030 . 1 . . . . 20 SER H . 11103 1 158 . 1 1 20 20 SER HA H 1 4.855 0.030 . 1 . . . . 20 SER HA . 11103 1 159 . 1 1 20 20 SER HB2 H 1 4.310 0.030 . 2 . . . . 20 SER HB2 . 11103 1 160 . 1 1 20 20 SER HB3 H 1 3.942 0.030 . 2 . . . . 20 SER HB3 . 11103 1 161 . 1 1 20 20 SER C C 13 170.837 0.300 . 1 . . . . 20 SER C . 11103 1 162 . 1 1 20 20 SER CA C 13 57.144 0.300 . 1 . . . . 20 SER CA . 11103 1 163 . 1 1 20 20 SER CB C 13 63.835 0.300 . 1 . . . . 20 SER CB . 11103 1 164 . 1 1 20 20 SER N N 15 119.199 0.300 . 1 . . . . 20 SER N . 11103 1 165 . 1 1 21 21 PRO HA H 1 4.896 0.030 . 1 . . . . 21 PRO HA . 11103 1 166 . 1 1 21 21 PRO HB2 H 1 2.360 0.030 . 2 . . . . 21 PRO HB2 . 11103 1 167 . 1 1 21 21 PRO HB3 H 1 1.840 0.030 . 2 . . . . 21 PRO HB3 . 11103 1 168 . 1 1 21 21 PRO HD2 H 1 3.922 0.030 . 2 . . . . 21 PRO HD2 . 11103 1 169 . 1 1 21 21 PRO HD3 H 1 3.766 0.030 . 2 . . . . 21 PRO HD3 . 11103 1 170 . 1 1 21 21 PRO HG2 H 1 2.093 0.030 . 2 . . . . 21 PRO HG2 . 11103 1 171 . 1 1 21 21 PRO HG3 H 1 1.600 0.030 . 2 . . . . 21 PRO HG3 . 11103 1 172 . 1 1 21 21 PRO C C 13 173.582 0.300 . 1 . . . . 21 PRO C . 11103 1 173 . 1 1 21 21 PRO CA C 13 65.046 0.300 . 1 . . . . 21 PRO CA . 11103 1 174 . 1 1 21 21 PRO CB C 13 33.088 0.300 . 1 . . . . 21 PRO CB . 11103 1 175 . 1 1 21 21 PRO CD C 13 50.784 0.300 . 1 . . . . 21 PRO CD . 11103 1 176 . 1 1 21 21 PRO CG C 13 27.910 0.300 . 1 . . . . 21 PRO CG . 11103 1 177 . 1 1 22 22 THR H H 1 7.203 0.030 . 1 . . . . 22 THR H . 11103 1 178 . 1 1 22 22 THR HA H 1 4.430 0.030 . 1 . . . . 22 THR HA . 11103 1 179 . 1 1 22 22 THR HB H 1 4.603 0.030 . 1 . . . . 22 THR HB . 11103 1 180 . 1 1 22 22 THR HG21 H 1 1.051 0.030 . 1 . . . . 22 THR HG2 . 11103 1 181 . 1 1 22 22 THR HG22 H 1 1.051 0.030 . 1 . . . . 22 THR HG2 . 11103 1 182 . 1 1 22 22 THR HG23 H 1 1.051 0.030 . 1 . . . . 22 THR HG2 . 11103 1 183 . 1 1 22 22 THR C C 13 174.584 0.300 . 1 . . . . 22 THR C . 11103 1 184 . 1 1 22 22 THR CA C 13 58.820 0.300 . 1 . . . . 22 THR CA . 11103 1 185 . 1 1 22 22 THR CB C 13 70.247 0.300 . 1 . . . . 22 THR CB . 11103 1 186 . 1 1 22 22 THR CG2 C 13 20.859 0.300 . 1 . . . . 22 THR CG2 . 11103 1 187 . 1 1 22 22 THR N N 15 96.999 0.300 . 1 . . . . 22 THR N . 11103 1 188 . 1 1 23 23 SER H H 1 7.585 0.030 . 1 . . . . 23 SER H . 11103 1 189 . 1 1 23 23 SER HA H 1 5.735 0.030 . 1 . . . . 23 SER HA . 11103 1 190 . 1 1 23 23 SER HB2 H 1 3.669 0.030 . 2 . . . . 23 SER HB2 . 11103 1 191 . 1 1 23 23 SER HB3 H 1 3.534 0.030 . 2 . . . . 23 SER HB3 . 11103 1 192 . 1 1 23 23 SER C C 13 173.373 0.300 . 1 . . . . 23 SER C . 11103 1 193 . 1 1 23 23 SER CA C 13 57.047 0.300 . 1 . . . . 23 SER CA . 11103 1 194 . 1 1 23 23 SER CB C 13 68.584 0.300 . 1 . . . . 23 SER CB . 11103 1 195 . 1 1 23 23 SER N N 15 113.660 0.300 . 1 . . . . 23 SER N . 11103 1 196 . 1 1 24 24 ILE H H 1 8.512 0.030 . 1 . . . . 24 ILE H . 11103 1 197 . 1 1 24 24 ILE HA H 1 4.491 0.030 . 1 . . . . 24 ILE HA . 11103 1 198 . 1 1 24 24 ILE HB H 1 1.381 0.030 . 1 . . . . 24 ILE HB . 11103 1 199 . 1 1 24 24 ILE HD11 H 1 0.538 0.030 . 1 . . . . 24 ILE HD1 . 11103 1 200 . 1 1 24 24 ILE HD12 H 1 0.538 0.030 . 1 . . . . 24 ILE HD1 . 11103 1 201 . 1 1 24 24 ILE HD13 H 1 0.538 0.030 . 1 . . . . 24 ILE HD1 . 11103 1 202 . 1 1 24 24 ILE HG12 H 1 1.447 0.030 . 2 . . . . 24 ILE HG12 . 11103 1 203 . 1 1 24 24 ILE HG13 H 1 0.654 0.030 . 2 . . . . 24 ILE HG13 . 11103 1 204 . 1 1 24 24 ILE HG21 H 1 0.696 0.030 . 1 . . . . 24 ILE HG2 . 11103 1 205 . 1 1 24 24 ILE HG22 H 1 0.696 0.030 . 1 . . . . 24 ILE HG2 . 11103 1 206 . 1 1 24 24 ILE HG23 H 1 0.696 0.030 . 1 . . . . 24 ILE HG2 . 11103 1 207 . 1 1 24 24 ILE C C 13 172.725 0.300 . 1 . . . . 24 ILE C . 11103 1 208 . 1 1 24 24 ILE CA C 13 61.016 0.300 . 1 . . . . 24 ILE CA . 11103 1 209 . 1 1 24 24 ILE CB C 13 43.887 0.300 . 1 . . . . 24 ILE CB . 11103 1 210 . 1 1 24 24 ILE CD1 C 13 14.350 0.300 . 1 . . . . 24 ILE CD1 . 11103 1 211 . 1 1 24 24 ILE CG1 C 13 28.588 0.300 . 1 . . . . 24 ILE CG1 . 11103 1 212 . 1 1 24 24 ILE CG2 C 13 17.930 0.300 . 1 . . . . 24 ILE CG2 . 11103 1 213 . 1 1 24 24 ILE N N 15 120.448 0.300 . 1 . . . . 24 ILE N . 11103 1 214 . 1 1 25 25 LEU H H 1 9.273 0.030 . 1 . . . . 25 LEU H . 11103 1 215 . 1 1 25 25 LEU HA H 1 4.939 0.030 . 1 . . . . 25 LEU HA . 11103 1 216 . 1 1 25 25 LEU HB2 H 1 1.915 0.030 . 2 . . . . 25 LEU HB2 . 11103 1 217 . 1 1 25 25 LEU HB3 H 1 1.285 0.030 . 2 . . . . 25 LEU HB3 . 11103 1 218 . 1 1 25 25 LEU HD11 H 1 0.749 0.030 . 1 . . . . 25 LEU HD1 . 11103 1 219 . 1 1 25 25 LEU HD12 H 1 0.749 0.030 . 1 . . . . 25 LEU HD1 . 11103 1 220 . 1 1 25 25 LEU HD13 H 1 0.749 0.030 . 1 . . . . 25 LEU HD1 . 11103 1 221 . 1 1 25 25 LEU HD21 H 1 0.778 0.030 . 1 . . . . 25 LEU HD2 . 11103 1 222 . 1 1 25 25 LEU HD22 H 1 0.778 0.030 . 1 . . . . 25 LEU HD2 . 11103 1 223 . 1 1 25 25 LEU HD23 H 1 0.778 0.030 . 1 . . . . 25 LEU HD2 . 11103 1 224 . 1 1 25 25 LEU HG H 1 1.370 0.030 . 1 . . . . 25 LEU HG . 11103 1 225 . 1 1 25 25 LEU C C 13 175.311 0.300 . 1 . . . . 25 LEU C . 11103 1 226 . 1 1 25 25 LEU CA C 13 54.298 0.300 . 1 . . . . 25 LEU CA . 11103 1 227 . 1 1 25 25 LEU CB C 13 44.507 0.300 . 1 . . . . 25 LEU CB . 11103 1 228 . 1 1 25 25 LEU CD1 C 13 22.787 0.300 . 2 . . . . 25 LEU CD1 . 11103 1 229 . 1 1 25 25 LEU CD2 C 13 25.776 0.300 . 2 . . . . 25 LEU CD2 . 11103 1 230 . 1 1 25 25 LEU CG C 13 27.460 0.300 . 1 . . . . 25 LEU CG . 11103 1 231 . 1 1 25 25 LEU N N 15 129.089 0.300 . 1 . . . . 25 LEU N . 11103 1 232 . 1 1 26 26 ILE H H 1 9.370 0.030 . 1 . . . . 26 ILE H . 11103 1 233 . 1 1 26 26 ILE HA H 1 5.320 0.030 . 1 . . . . 26 ILE HA . 11103 1 234 . 1 1 26 26 ILE HB H 1 1.987 0.030 . 1 . . . . 26 ILE HB . 11103 1 235 . 1 1 26 26 ILE HD11 H 1 0.935 0.030 . 1 . . . . 26 ILE HD1 . 11103 1 236 . 1 1 26 26 ILE HD12 H 1 0.935 0.030 . 1 . . . . 26 ILE HD1 . 11103 1 237 . 1 1 26 26 ILE HD13 H 1 0.935 0.030 . 1 . . . . 26 ILE HD1 . 11103 1 238 . 1 1 26 26 ILE HG12 H 1 1.692 0.030 . 2 . . . . 26 ILE HG12 . 11103 1 239 . 1 1 26 26 ILE HG13 H 1 1.014 0.030 . 2 . . . . 26 ILE HG13 . 11103 1 240 . 1 1 26 26 ILE HG21 H 1 0.832 0.030 . 1 . . . . 26 ILE HG2 . 11103 1 241 . 1 1 26 26 ILE HG22 H 1 0.832 0.030 . 1 . . . . 26 ILE HG2 . 11103 1 242 . 1 1 26 26 ILE HG23 H 1 0.832 0.030 . 1 . . . . 26 ILE HG2 . 11103 1 243 . 1 1 26 26 ILE C C 13 174.815 0.300 . 1 . . . . 26 ILE C . 11103 1 244 . 1 1 26 26 ILE CA C 13 60.067 0.300 . 1 . . . . 26 ILE CA . 11103 1 245 . 1 1 26 26 ILE CB C 13 40.920 0.300 . 1 . . . . 26 ILE CB . 11103 1 246 . 1 1 26 26 ILE CD1 C 13 16.931 0.300 . 1 . . . . 26 ILE CD1 . 11103 1 247 . 1 1 26 26 ILE CG1 C 13 29.393 0.300 . 1 . . . . 26 ILE CG1 . 11103 1 248 . 1 1 26 26 ILE CG2 C 13 19.719 0.300 . 1 . . . . 26 ILE CG2 . 11103 1 249 . 1 1 26 26 ILE N N 15 130.229 0.300 . 1 . . . . 26 ILE N . 11103 1 250 . 1 1 27 27 THR H H 1 9.086 0.030 . 1 . . . . 27 THR H . 11103 1 251 . 1 1 27 27 THR HA H 1 4.827 0.030 . 1 . . . . 27 THR HA . 11103 1 252 . 1 1 27 27 THR HB H 1 4.178 0.030 . 1 . . . . 27 THR HB . 11103 1 253 . 1 1 27 27 THR HG21 H 1 1.041 0.030 . 1 . . . . 27 THR HG2 . 11103 1 254 . 1 1 27 27 THR HG22 H 1 1.041 0.030 . 1 . . . . 27 THR HG2 . 11103 1 255 . 1 1 27 27 THR HG23 H 1 1.041 0.030 . 1 . . . . 27 THR HG2 . 11103 1 256 . 1 1 27 27 THR C C 13 172.788 0.300 . 1 . . . . 27 THR C . 11103 1 257 . 1 1 27 27 THR CA C 13 60.241 0.300 . 1 . . . . 27 THR CA . 11103 1 258 . 1 1 27 27 THR CB C 13 72.050 0.300 . 1 . . . . 27 THR CB . 11103 1 259 . 1 1 27 27 THR CG2 C 13 21.146 0.300 . 1 . . . . 27 THR CG2 . 11103 1 260 . 1 1 27 27 THR N N 15 116.631 0.300 . 1 . . . . 27 THR N . 11103 1 261 . 1 1 28 28 TRP H H 1 7.533 0.030 . 1 . . . . 28 TRP H . 11103 1 262 . 1 1 28 28 TRP HA H 1 4.840 0.030 . 1 . . . . 28 TRP HA . 11103 1 263 . 1 1 28 28 TRP HB2 H 1 3.071 0.030 . 2 . . . . 28 TRP HB2 . 11103 1 264 . 1 1 28 28 TRP HB3 H 1 2.713 0.030 . 2 . . . . 28 TRP HB3 . 11103 1 265 . 1 1 28 28 TRP HD1 H 1 6.368 0.030 . 1 . . . . 28 TRP HD1 . 11103 1 266 . 1 1 28 28 TRP HE3 H 1 6.476 0.030 . 1 . . . . 28 TRP HE3 . 11103 1 267 . 1 1 28 28 TRP HH2 H 1 6.597 0.030 . 1 . . . . 28 TRP HH2 . 11103 1 268 . 1 1 28 28 TRP HZ2 H 1 6.637 0.030 . 1 . . . . 28 TRP HZ2 . 11103 1 269 . 1 1 28 28 TRP HZ3 H 1 6.492 0.030 . 1 . . . . 28 TRP HZ3 . 11103 1 270 . 1 1 28 28 TRP C C 13 172.402 0.300 . 1 . . . . 28 TRP C . 11103 1 271 . 1 1 28 28 TRP CA C 13 57.155 0.300 . 1 . . . . 28 TRP CA . 11103 1 272 . 1 1 28 28 TRP CB C 13 30.462 0.300 . 1 . . . . 28 TRP CB . 11103 1 273 . 1 1 28 28 TRP CD1 C 13 125.523 0.300 . 1 . . . . 28 TRP CD1 . 11103 1 274 . 1 1 28 28 TRP CE3 C 13 122.002 0.300 . 1 . . . . 28 TRP CE3 . 11103 1 275 . 1 1 28 28 TRP CH2 C 13 123.647 0.300 . 1 . . . . 28 TRP CH2 . 11103 1 276 . 1 1 28 28 TRP CZ2 C 13 113.953 0.300 . 1 . . . . 28 TRP CZ2 . 11103 1 277 . 1 1 28 28 TRP CZ3 C 13 120.591 0.300 . 1 . . . . 28 TRP CZ3 . 11103 1 278 . 1 1 28 28 TRP N N 15 117.658 0.300 . 1 . . . . 28 TRP N . 11103 1 279 . 1 1 29 29 GLU H H 1 8.621 0.030 . 1 . . . . 29 GLU H . 11103 1 280 . 1 1 29 29 GLU HA H 1 4.732 0.030 . 1 . . . . 29 GLU HA . 11103 1 281 . 1 1 29 29 GLU HB2 H 1 1.641 0.030 . 2 . . . . 29 GLU HB2 . 11103 1 282 . 1 1 29 29 GLU HB3 H 1 2.133 0.030 . 2 . . . . 29 GLU HB3 . 11103 1 283 . 1 1 29 29 GLU HG2 H 1 2.323 0.030 . 2 . . . . 29 GLU HG2 . 11103 1 284 . 1 1 29 29 GLU HG3 H 1 2.168 0.030 . 2 . . . . 29 GLU HG3 . 11103 1 285 . 1 1 29 29 GLU C C 13 173.232 0.300 . 1 . . . . 29 GLU C . 11103 1 286 . 1 1 29 29 GLU CA C 13 53.106 0.300 . 1 . . . . 29 GLU CA . 11103 1 287 . 1 1 29 29 GLU CB C 13 30.558 0.300 . 1 . . . . 29 GLU CB . 11103 1 288 . 1 1 29 29 GLU CG C 13 36.902 0.300 . 1 . . . . 29 GLU CG . 11103 1 289 . 1 1 29 29 GLU N N 15 117.052 0.300 . 1 . . . . 29 GLU N . 11103 1 290 . 1 1 30 30 PRO HA H 1 5.034 0.030 . 1 . . . . 30 PRO HA . 11103 1 291 . 1 1 30 30 PRO HB2 H 1 2.543 0.030 . 2 . . . . 30 PRO HB2 . 11103 1 292 . 1 1 30 30 PRO HB3 H 1 1.864 0.030 . 2 . . . . 30 PRO HB3 . 11103 1 293 . 1 1 30 30 PRO HD2 H 1 3.759 0.030 . 2 . . . . 30 PRO HD2 . 11103 1 294 . 1 1 30 30 PRO HD3 H 1 3.625 0.030 . 2 . . . . 30 PRO HD3 . 11103 1 295 . 1 1 30 30 PRO HG2 H 1 2.155 0.030 . 2 . . . . 30 PRO HG2 . 11103 1 296 . 1 1 30 30 PRO HG3 H 1 2.037 0.030 . 2 . . . . 30 PRO HG3 . 11103 1 297 . 1 1 30 30 PRO CA C 13 61.813 0.300 . 1 . . . . 30 PRO CA . 11103 1 298 . 1 1 30 30 PRO CB C 13 30.665 0.300 . 1 . . . . 30 PRO CB . 11103 1 299 . 1 1 30 30 PRO CD C 13 50.542 0.300 . 1 . . . . 30 PRO CD . 11103 1 300 . 1 1 30 30 PRO CG C 13 27.983 0.300 . 1 . . . . 30 PRO CG . 11103 1 301 . 1 1 31 31 PRO HA H 1 4.658 0.030 . 1 . . . . 31 PRO HA . 11103 1 302 . 1 1 31 31 PRO HB2 H 1 2.028 0.030 . 2 . . . . 31 PRO HB2 . 11103 1 303 . 1 1 31 31 PRO HB3 H 1 1.631 0.030 . 2 . . . . 31 PRO HB3 . 11103 1 304 . 1 1 31 31 PRO HD2 H 1 4.100 0.030 . 2 . . . . 31 PRO HD2 . 11103 1 305 . 1 1 31 31 PRO HD3 H 1 3.732 0.030 . 2 . . . . 31 PRO HD3 . 11103 1 306 . 1 1 31 31 PRO HG2 H 1 1.809 0.030 . 2 . . . . 31 PRO HG2 . 11103 1 307 . 1 1 31 31 PRO HG3 H 1 1.760 0.030 . 2 . . . . 31 PRO HG3 . 11103 1 308 . 1 1 31 31 PRO C C 13 176.814 0.300 . 1 . . . . 31 PRO C . 11103 1 309 . 1 1 31 31 PRO CA C 13 62.188 0.300 . 1 . . . . 31 PRO CA . 11103 1 310 . 1 1 31 31 PRO CB C 13 32.529 0.300 . 1 . . . . 31 PRO CB . 11103 1 311 . 1 1 31 31 PRO CD C 13 50.555 0.300 . 1 . . . . 31 PRO CD . 11103 1 312 . 1 1 31 31 PRO CG C 13 28.424 0.300 . 1 . . . . 31 PRO CG . 11103 1 313 . 1 1 32 32 ALA H H 1 8.997 0.030 . 1 . . . . 32 ALA H . 11103 1 314 . 1 1 32 32 ALA HA H 1 4.145 0.030 . 1 . . . . 32 ALA HA . 11103 1 315 . 1 1 32 32 ALA HB1 H 1 1.390 0.030 . 1 . . . . 32 ALA HB . 11103 1 316 . 1 1 32 32 ALA HB2 H 1 1.390 0.030 . 1 . . . . 32 ALA HB . 11103 1 317 . 1 1 32 32 ALA HB3 H 1 1.390 0.030 . 1 . . . . 32 ALA HB . 11103 1 318 . 1 1 32 32 ALA C C 13 178.350 0.300 . 1 . . . . 32 ALA C . 11103 1 319 . 1 1 32 32 ALA CA C 13 53.308 0.300 . 1 . . . . 32 ALA CA . 11103 1 320 . 1 1 32 32 ALA CB C 13 18.726 0.300 . 1 . . . . 32 ALA CB . 11103 1 321 . 1 1 32 32 ALA N N 15 125.418 0.300 . 1 . . . . 32 ALA N . 11103 1 322 . 1 1 33 33 TYR H H 1 8.012 0.030 . 1 . . . . 33 TYR H . 11103 1 323 . 1 1 33 33 TYR HA H 1 4.548 0.030 . 1 . . . . 33 TYR HA . 11103 1 324 . 1 1 33 33 TYR HB2 H 1 3.006 0.030 . 2 . . . . 33 TYR HB2 . 11103 1 325 . 1 1 33 33 TYR HB3 H 1 2.949 0.030 . 2 . . . . 33 TYR HB3 . 11103 1 326 . 1 1 33 33 TYR HD1 H 1 7.093 0.030 . 1 . . . . 33 TYR HD1 . 11103 1 327 . 1 1 33 33 TYR HD2 H 1 7.093 0.030 . 1 . . . . 33 TYR HD2 . 11103 1 328 . 1 1 33 33 TYR HE1 H 1 6.811 0.030 . 1 . . . . 33 TYR HE1 . 11103 1 329 . 1 1 33 33 TYR HE2 H 1 6.811 0.030 . 1 . . . . 33 TYR HE2 . 11103 1 330 . 1 1 33 33 TYR C C 13 174.777 0.300 . 1 . . . . 33 TYR C . 11103 1 331 . 1 1 33 33 TYR CA C 13 57.656 0.300 . 1 . . . . 33 TYR CA . 11103 1 332 . 1 1 33 33 TYR CB C 13 38.750 0.300 . 1 . . . . 33 TYR CB . 11103 1 333 . 1 1 33 33 TYR CD1 C 13 133.401 0.300 . 1 . . . . 33 TYR CD1 . 11103 1 334 . 1 1 33 33 TYR CD2 C 13 133.401 0.300 . 1 . . . . 33 TYR CD2 . 11103 1 335 . 1 1 33 33 TYR CE1 C 13 118.049 0.300 . 1 . . . . 33 TYR CE1 . 11103 1 336 . 1 1 33 33 TYR CE2 C 13 118.049 0.300 . 1 . . . . 33 TYR CE2 . 11103 1 337 . 1 1 33 33 TYR N N 15 117.788 0.300 . 1 . . . . 33 TYR N . 11103 1 338 . 1 1 34 34 ALA H H 1 8.185 0.030 . 1 . . . . 34 ALA H . 11103 1 339 . 1 1 34 34 ALA HA H 1 4.164 0.030 . 1 . . . . 34 ALA HA . 11103 1 340 . 1 1 34 34 ALA HB1 H 1 1.362 0.030 . 1 . . . . 34 ALA HB . 11103 1 341 . 1 1 34 34 ALA HB2 H 1 1.362 0.030 . 1 . . . . 34 ALA HB . 11103 1 342 . 1 1 34 34 ALA HB3 H 1 1.362 0.030 . 1 . . . . 34 ALA HB . 11103 1 343 . 1 1 34 34 ALA C C 13 176.324 0.300 . 1 . . . . 34 ALA C . 11103 1 344 . 1 1 34 34 ALA CA C 13 52.969 0.300 . 1 . . . . 34 ALA CA . 11103 1 345 . 1 1 34 34 ALA CB C 13 20.239 0.300 . 1 . . . . 34 ALA CB . 11103 1 346 . 1 1 34 34 ALA N N 15 124.870 0.300 . 1 . . . . 34 ALA N . 11103 1 347 . 1 1 35 35 ASN H H 1 8.160 0.030 . 1 . . . . 35 ASN H . 11103 1 348 . 1 1 35 35 ASN HA H 1 4.542 0.030 . 1 . . . . 35 ASN HA . 11103 1 349 . 1 1 35 35 ASN HB2 H 1 2.897 0.030 . 2 . . . . 35 ASN HB2 . 11103 1 350 . 1 1 35 35 ASN HB3 H 1 2.676 0.030 . 2 . . . . 35 ASN HB3 . 11103 1 351 . 1 1 35 35 ASN HD21 H 1 6.834 0.030 . 2 . . . . 35 ASN HD21 . 11103 1 352 . 1 1 35 35 ASN HD22 H 1 7.477 0.030 . 2 . . . . 35 ASN HD22 . 11103 1 353 . 1 1 35 35 ASN C C 13 174.455 0.300 . 1 . . . . 35 ASN C . 11103 1 354 . 1 1 35 35 ASN CA C 13 53.535 0.300 . 1 . . . . 35 ASN CA . 11103 1 355 . 1 1 35 35 ASN CB C 13 37.740 0.300 . 1 . . . . 35 ASN CB . 11103 1 356 . 1 1 35 35 ASN N N 15 116.647 0.300 . 1 . . . . 35 ASN N . 11103 1 357 . 1 1 35 35 ASN ND2 N 15 112.884 0.300 . 1 . . . . 35 ASN ND2 . 11103 1 358 . 1 1 36 36 GLY H H 1 7.670 0.030 . 1 . . . . 36 GLY H . 11103 1 359 . 1 1 36 36 GLY HA2 H 1 3.992 0.030 . 2 . . . . 36 GLY HA2 . 11103 1 360 . 1 1 36 36 GLY HA3 H 1 4.267 0.030 . 2 . . . . 36 GLY HA3 . 11103 1 361 . 1 1 36 36 GLY C C 13 171.128 0.300 . 1 . . . . 36 GLY C . 11103 1 362 . 1 1 36 36 GLY CA C 13 44.000 0.300 . 1 . . . . 36 GLY CA . 11103 1 363 . 1 1 36 36 GLY N N 15 108.251 0.300 . 1 . . . . 36 GLY N . 11103 1 364 . 1 1 37 37 PRO HA H 1 4.373 0.030 . 1 . . . . 37 PRO HA . 11103 1 365 . 1 1 37 37 PRO HB2 H 1 2.280 0.030 . 2 . . . . 37 PRO HB2 . 11103 1 366 . 1 1 37 37 PRO HB3 H 1 1.820 0.030 . 2 . . . . 37 PRO HB3 . 11103 1 367 . 1 1 37 37 PRO HD2 H 1 3.673 0.030 . 2 . . . . 37 PRO HD2 . 11103 1 368 . 1 1 37 37 PRO HD3 H 1 3.608 0.030 . 2 . . . . 37 PRO HD3 . 11103 1 369 . 1 1 37 37 PRO HG2 H 1 2.029 0.030 . 1 . . . . 37 PRO HG2 . 11103 1 370 . 1 1 37 37 PRO HG3 H 1 2.029 0.030 . 1 . . . . 37 PRO HG3 . 11103 1 371 . 1 1 37 37 PRO C C 13 177.176 0.300 . 1 . . . . 37 PRO C . 11103 1 372 . 1 1 37 37 PRO CA C 13 62.864 0.300 . 1 . . . . 37 PRO CA . 11103 1 373 . 1 1 37 37 PRO CB C 13 32.199 0.300 . 1 . . . . 37 PRO CB . 11103 1 374 . 1 1 37 37 PRO CD C 13 49.760 0.300 . 1 . . . . 37 PRO CD . 11103 1 375 . 1 1 37 37 PRO CG C 13 27.414 0.300 . 1 . . . . 37 PRO CG . 11103 1 376 . 1 1 38 38 VAL H H 1 8.593 0.030 . 1 . . . . 38 VAL H . 11103 1 377 . 1 1 38 38 VAL HA H 1 3.644 0.030 . 1 . . . . 38 VAL HA . 11103 1 378 . 1 1 38 38 VAL HB H 1 1.935 0.030 . 1 . . . . 38 VAL HB . 11103 1 379 . 1 1 38 38 VAL HG11 H 1 0.601 0.030 . 1 . . . . 38 VAL HG1 . 11103 1 380 . 1 1 38 38 VAL HG12 H 1 0.601 0.030 . 1 . . . . 38 VAL HG1 . 11103 1 381 . 1 1 38 38 VAL HG13 H 1 0.601 0.030 . 1 . . . . 38 VAL HG1 . 11103 1 382 . 1 1 38 38 VAL HG21 H 1 0.872 0.030 . 1 . . . . 38 VAL HG2 . 11103 1 383 . 1 1 38 38 VAL HG22 H 1 0.872 0.030 . 1 . . . . 38 VAL HG2 . 11103 1 384 . 1 1 38 38 VAL HG23 H 1 0.872 0.030 . 1 . . . . 38 VAL HG2 . 11103 1 385 . 1 1 38 38 VAL C C 13 176.701 0.300 . 1 . . . . 38 VAL C . 11103 1 386 . 1 1 38 38 VAL CA C 13 63.762 0.300 . 1 . . . . 38 VAL CA . 11103 1 387 . 1 1 38 38 VAL CB C 13 32.696 0.300 . 1 . . . . 38 VAL CB . 11103 1 388 . 1 1 38 38 VAL CG1 C 13 21.941 0.300 . 2 . . . . 38 VAL CG1 . 11103 1 389 . 1 1 38 38 VAL CG2 C 13 22.331 0.300 . 2 . . . . 38 VAL CG2 . 11103 1 390 . 1 1 38 38 VAL N N 15 122.288 0.300 . 1 . . . . 38 VAL N . 11103 1 391 . 1 1 39 39 GLN H H 1 8.580 0.030 . 1 . . . . 39 GLN H . 11103 1 392 . 1 1 39 39 GLN HA H 1 4.210 0.030 . 1 . . . . 39 GLN HA . 11103 1 393 . 1 1 39 39 GLN HB2 H 1 1.834 0.030 . 2 . . . . 39 GLN HB2 . 11103 1 394 . 1 1 39 39 GLN HB3 H 1 1.630 0.030 . 2 . . . . 39 GLN HB3 . 11103 1 395 . 1 1 39 39 GLN HE21 H 1 7.226 0.030 . 2 . . . . 39 GLN HE21 . 11103 1 396 . 1 1 39 39 GLN HE22 H 1 6.708 0.030 . 2 . . . . 39 GLN HE22 . 11103 1 397 . 1 1 39 39 GLN HG2 H 1 2.256 0.030 . 1 . . . . 39 GLN HG2 . 11103 1 398 . 1 1 39 39 GLN HG3 H 1 2.256 0.030 . 1 . . . . 39 GLN HG3 . 11103 1 399 . 1 1 39 39 GLN C C 13 175.031 0.300 . 1 . . . . 39 GLN C . 11103 1 400 . 1 1 39 39 GLN CA C 13 56.121 0.300 . 1 . . . . 39 GLN CA . 11103 1 401 . 1 1 39 39 GLN CB C 13 30.684 0.300 . 1 . . . . 39 GLN CB . 11103 1 402 . 1 1 39 39 GLN CG C 13 34.243 0.300 . 1 . . . . 39 GLN CG . 11103 1 403 . 1 1 39 39 GLN N N 15 126.278 0.300 . 1 . . . . 39 GLN N . 11103 1 404 . 1 1 39 39 GLN NE2 N 15 110.314 0.300 . 1 . . . . 39 GLN NE2 . 11103 1 405 . 1 1 40 40 GLY H H 1 6.547 0.030 . 1 . . . . 40 GLY H . 11103 1 406 . 1 1 40 40 GLY HA2 H 1 3.777 0.030 . 2 . . . . 40 GLY HA2 . 11103 1 407 . 1 1 40 40 GLY HA3 H 1 3.692 0.030 . 2 . . . . 40 GLY HA3 . 11103 1 408 . 1 1 40 40 GLY C C 13 168.491 0.300 . 1 . . . . 40 GLY C . 11103 1 409 . 1 1 40 40 GLY CA C 13 44.396 0.300 . 1 . . . . 40 GLY CA . 11103 1 410 . 1 1 40 40 GLY N N 15 105.588 0.300 . 1 . . . . 40 GLY N . 11103 1 411 . 1 1 41 41 TYR H H 1 7.963 0.030 . 1 . . . . 41 TYR H . 11103 1 412 . 1 1 41 41 TYR HA H 1 5.048 0.030 . 1 . . . . 41 TYR HA . 11103 1 413 . 1 1 41 41 TYR HB2 H 1 2.381 0.030 . 2 . . . . 41 TYR HB2 . 11103 1 414 . 1 1 41 41 TYR HB3 H 1 2.162 0.030 . 2 . . . . 41 TYR HB3 . 11103 1 415 . 1 1 41 41 TYR HD1 H 1 6.891 0.030 . 1 . . . . 41 TYR HD1 . 11103 1 416 . 1 1 41 41 TYR HD2 H 1 6.891 0.030 . 1 . . . . 41 TYR HD2 . 11103 1 417 . 1 1 41 41 TYR HE1 H 1 6.926 0.030 . 1 . . . . 41 TYR HE1 . 11103 1 418 . 1 1 41 41 TYR HE2 H 1 6.926 0.030 . 1 . . . . 41 TYR HE2 . 11103 1 419 . 1 1 41 41 TYR C C 13 174.404 0.300 . 1 . . . . 41 TYR C . 11103 1 420 . 1 1 41 41 TYR CA C 13 56.077 0.300 . 1 . . . . 41 TYR CA . 11103 1 421 . 1 1 41 41 TYR CB C 13 41.946 0.300 . 1 . . . . 41 TYR CB . 11103 1 422 . 1 1 41 41 TYR CD1 C 13 134.163 0.300 . 1 . . . . 41 TYR CD1 . 11103 1 423 . 1 1 41 41 TYR CD2 C 13 134.163 0.300 . 1 . . . . 41 TYR CD2 . 11103 1 424 . 1 1 41 41 TYR CE1 C 13 118.084 0.300 . 1 . . . . 41 TYR CE1 . 11103 1 425 . 1 1 41 41 TYR CE2 C 13 118.084 0.300 . 1 . . . . 41 TYR CE2 . 11103 1 426 . 1 1 41 41 TYR N N 15 114.724 0.300 . 1 . . . . 41 TYR N . 11103 1 427 . 1 1 42 42 ARG H H 1 8.965 0.030 . 1 . . . . 42 ARG H . 11103 1 428 . 1 1 42 42 ARG HA H 1 4.696 0.030 . 1 . . . . 42 ARG HA . 11103 1 429 . 1 1 42 42 ARG HB2 H 1 1.290 0.030 . 1 . . . . 42 ARG HB2 . 11103 1 430 . 1 1 42 42 ARG HB3 H 1 1.290 0.030 . 1 . . . . 42 ARG HB3 . 11103 1 431 . 1 1 42 42 ARG HD2 H 1 2.907 0.030 . 2 . . . . 42 ARG HD2 . 11103 1 432 . 1 1 42 42 ARG HD3 H 1 2.809 0.030 . 2 . . . . 42 ARG HD3 . 11103 1 433 . 1 1 42 42 ARG HE H 1 7.057 0.030 . 1 . . . . 42 ARG HE . 11103 1 434 . 1 1 42 42 ARG HG2 H 1 0.930 0.030 . 2 . . . . 42 ARG HG2 . 11103 1 435 . 1 1 42 42 ARG HG3 H 1 1.152 0.030 . 2 . . . . 42 ARG HG3 . 11103 1 436 . 1 1 42 42 ARG C C 13 171.439 0.300 . 1 . . . . 42 ARG C . 11103 1 437 . 1 1 42 42 ARG CA C 13 55.314 0.300 . 1 . . . . 42 ARG CA . 11103 1 438 . 1 1 42 42 ARG CB C 13 33.823 0.300 . 1 . . . . 42 ARG CB . 11103 1 439 . 1 1 42 42 ARG CD C 13 43.412 0.300 . 1 . . . . 42 ARG CD . 11103 1 440 . 1 1 42 42 ARG CG C 13 28.074 0.300 . 1 . . . . 42 ARG CG . 11103 1 441 . 1 1 42 42 ARG N N 15 121.193 0.300 . 1 . . . . 42 ARG N . 11103 1 442 . 1 1 42 42 ARG NE N 15 84.685 0.300 . 1 . . . . 42 ARG NE . 11103 1 443 . 1 1 43 43 LEU H H 1 8.436 0.030 . 1 . . . . 43 LEU H . 11103 1 444 . 1 1 43 43 LEU HA H 1 4.762 0.030 . 1 . . . . 43 LEU HA . 11103 1 445 . 1 1 43 43 LEU HB2 H 1 1.551 0.030 . 2 . . . . 43 LEU HB2 . 11103 1 446 . 1 1 43 43 LEU HB3 H 1 1.095 0.030 . 2 . . . . 43 LEU HB3 . 11103 1 447 . 1 1 43 43 LEU HD11 H 1 0.998 0.030 . 1 . . . . 43 LEU HD1 . 11103 1 448 . 1 1 43 43 LEU HD12 H 1 0.998 0.030 . 1 . . . . 43 LEU HD1 . 11103 1 449 . 1 1 43 43 LEU HD13 H 1 0.998 0.030 . 1 . . . . 43 LEU HD1 . 11103 1 450 . 1 1 43 43 LEU HD21 H 1 0.791 0.030 . 1 . . . . 43 LEU HD2 . 11103 1 451 . 1 1 43 43 LEU HD22 H 1 0.791 0.030 . 1 . . . . 43 LEU HD2 . 11103 1 452 . 1 1 43 43 LEU HD23 H 1 0.791 0.030 . 1 . . . . 43 LEU HD2 . 11103 1 453 . 1 1 43 43 LEU HG H 1 1.375 0.030 . 1 . . . . 43 LEU HG . 11103 1 454 . 1 1 43 43 LEU C C 13 173.966 0.300 . 1 . . . . 43 LEU C . 11103 1 455 . 1 1 43 43 LEU CA C 13 52.692 0.300 . 1 . . . . 43 LEU CA . 11103 1 456 . 1 1 43 43 LEU CB C 13 45.254 0.300 . 1 . . . . 43 LEU CB . 11103 1 457 . 1 1 43 43 LEU CD1 C 13 24.399 0.300 . 2 . . . . 43 LEU CD1 . 11103 1 458 . 1 1 43 43 LEU CD2 C 13 27.703 0.300 . 2 . . . . 43 LEU CD2 . 11103 1 459 . 1 1 43 43 LEU CG C 13 27.645 0.300 . 1 . . . . 43 LEU CG . 11103 1 460 . 1 1 43 43 LEU N N 15 124.350 0.300 . 1 . . . . 43 LEU N . 11103 1 461 . 1 1 44 44 PHE H H 1 9.045 0.030 . 1 . . . . 44 PHE H . 11103 1 462 . 1 1 44 44 PHE HA H 1 5.237 0.030 . 1 . . . . 44 PHE HA . 11103 1 463 . 1 1 44 44 PHE HB2 H 1 2.920 0.030 . 2 . . . . 44 PHE HB2 . 11103 1 464 . 1 1 44 44 PHE HB3 H 1 2.892 0.030 . 2 . . . . 44 PHE HB3 . 11103 1 465 . 1 1 44 44 PHE HD1 H 1 6.987 0.030 . 1 . . . . 44 PHE HD1 . 11103 1 466 . 1 1 44 44 PHE HD2 H 1 6.987 0.030 . 1 . . . . 44 PHE HD2 . 11103 1 467 . 1 1 44 44 PHE HE1 H 1 7.048 0.030 . 1 . . . . 44 PHE HE1 . 11103 1 468 . 1 1 44 44 PHE HE2 H 1 7.048 0.030 . 1 . . . . 44 PHE HE2 . 11103 1 469 . 1 1 44 44 PHE HZ H 1 7.087 0.030 . 1 . . . . 44 PHE HZ . 11103 1 470 . 1 1 44 44 PHE C C 13 175.216 0.300 . 1 . . . . 44 PHE C . 11103 1 471 . 1 1 44 44 PHE CA C 13 55.904 0.300 . 1 . . . . 44 PHE CA . 11103 1 472 . 1 1 44 44 PHE CB C 13 40.389 0.300 . 1 . . . . 44 PHE CB . 11103 1 473 . 1 1 44 44 PHE CD1 C 13 132.207 0.300 . 1 . . . . 44 PHE CD1 . 11103 1 474 . 1 1 44 44 PHE CD2 C 13 132.207 0.300 . 1 . . . . 44 PHE CD2 . 11103 1 475 . 1 1 44 44 PHE CE1 C 13 130.805 0.300 . 1 . . . . 44 PHE CE1 . 11103 1 476 . 1 1 44 44 PHE CE2 C 13 130.805 0.300 . 1 . . . . 44 PHE CE2 . 11103 1 477 . 1 1 44 44 PHE CZ C 13 129.044 0.300 . 1 . . . . 44 PHE CZ . 11103 1 478 . 1 1 44 44 PHE N N 15 124.164 0.300 . 1 . . . . 44 PHE N . 11103 1 479 . 1 1 45 45 CYS H H 1 8.982 0.030 . 1 . . . . 45 CYS H . 11103 1 480 . 1 1 45 45 CYS HA H 1 5.317 0.030 . 1 . . . . 45 CYS HA . 11103 1 481 . 1 1 45 45 CYS HB2 H 1 2.815 0.030 . 2 . . . . 45 CYS HB2 . 11103 1 482 . 1 1 45 45 CYS HB3 H 1 2.170 0.030 . 2 . . . . 45 CYS HB3 . 11103 1 483 . 1 1 45 45 CYS C C 13 173.862 0.300 . 1 . . . . 45 CYS C . 11103 1 484 . 1 1 45 45 CYS CA C 13 57.110 0.300 . 1 . . . . 45 CYS CA . 11103 1 485 . 1 1 45 45 CYS CB C 13 28.203 0.300 . 1 . . . . 45 CYS CB . 11103 1 486 . 1 1 45 45 CYS N N 15 124.280 0.300 . 1 . . . . 45 CYS N . 11103 1 487 . 1 1 46 46 THR H H 1 9.768 0.030 . 1 . . . . 46 THR H . 11103 1 488 . 1 1 46 46 THR HA H 1 5.217 0.030 . 1 . . . . 46 THR HA . 11103 1 489 . 1 1 46 46 THR HB H 1 4.057 0.030 . 1 . . . . 46 THR HB . 11103 1 490 . 1 1 46 46 THR HG21 H 1 0.926 0.030 . 1 . . . . 46 THR HG2 . 11103 1 491 . 1 1 46 46 THR HG22 H 1 0.926 0.030 . 1 . . . . 46 THR HG2 . 11103 1 492 . 1 1 46 46 THR HG23 H 1 0.926 0.030 . 1 . . . . 46 THR HG2 . 11103 1 493 . 1 1 46 46 THR C C 13 173.688 0.300 . 1 . . . . 46 THR C . 11103 1 494 . 1 1 46 46 THR CA C 13 61.794 0.300 . 1 . . . . 46 THR CA . 11103 1 495 . 1 1 46 46 THR CB C 13 70.637 0.300 . 1 . . . . 46 THR CB . 11103 1 496 . 1 1 46 46 THR CG2 C 13 20.889 0.300 . 1 . . . . 46 THR CG2 . 11103 1 497 . 1 1 46 46 THR N N 15 128.634 0.300 . 1 . . . . 46 THR N . 11103 1 498 . 1 1 47 47 GLU H H 1 8.805 0.030 . 1 . . . . 47 GLU H . 11103 1 499 . 1 1 47 47 GLU HA H 1 4.088 0.030 . 1 . . . . 47 GLU HA . 11103 1 500 . 1 1 47 47 GLU HB2 H 1 2.388 0.030 . 2 . . . . 47 GLU HB2 . 11103 1 501 . 1 1 47 47 GLU HB3 H 1 1.962 0.030 . 2 . . . . 47 GLU HB3 . 11103 1 502 . 1 1 47 47 GLU HG2 H 1 1.963 0.030 . 2 . . . . 47 GLU HG2 . 11103 1 503 . 1 1 47 47 GLU HG3 H 1 1.803 0.030 . 2 . . . . 47 GLU HG3 . 11103 1 504 . 1 1 47 47 GLU C C 13 175.660 0.300 . 1 . . . . 47 GLU C . 11103 1 505 . 1 1 47 47 GLU CA C 13 55.951 0.300 . 1 . . . . 47 GLU CA . 11103 1 506 . 1 1 47 47 GLU CB C 13 29.839 0.300 . 1 . . . . 47 GLU CB . 11103 1 507 . 1 1 47 47 GLU CG C 13 36.214 0.300 . 1 . . . . 47 GLU CG . 11103 1 508 . 1 1 47 47 GLU N N 15 130.371 0.300 . 1 . . . . 47 GLU N . 11103 1 509 . 1 1 48 48 VAL H H 1 7.649 0.030 . 1 . . . . 48 VAL H . 11103 1 510 . 1 1 48 48 VAL HA H 1 3.393 0.030 . 1 . . . . 48 VAL HA . 11103 1 511 . 1 1 48 48 VAL HB H 1 1.748 0.030 . 1 . . . . 48 VAL HB . 11103 1 512 . 1 1 48 48 VAL HG11 H 1 0.871 0.030 . 1 . . . . 48 VAL HG1 . 11103 1 513 . 1 1 48 48 VAL HG12 H 1 0.871 0.030 . 1 . . . . 48 VAL HG1 . 11103 1 514 . 1 1 48 48 VAL HG13 H 1 0.871 0.030 . 1 . . . . 48 VAL HG1 . 11103 1 515 . 1 1 48 48 VAL HG21 H 1 0.799 0.030 . 1 . . . . 48 VAL HG2 . 11103 1 516 . 1 1 48 48 VAL HG22 H 1 0.799 0.030 . 1 . . . . 48 VAL HG2 . 11103 1 517 . 1 1 48 48 VAL HG23 H 1 0.799 0.030 . 1 . . . . 48 VAL HG2 . 11103 1 518 . 1 1 48 48 VAL C C 13 178.631 0.300 . 1 . . . . 48 VAL C . 11103 1 519 . 1 1 48 48 VAL CA C 13 67.355 0.300 . 1 . . . . 48 VAL CA . 11103 1 520 . 1 1 48 48 VAL CB C 13 31.575 0.300 . 1 . . . . 48 VAL CB . 11103 1 521 . 1 1 48 48 VAL CG1 C 13 23.151 0.300 . 2 . . . . 48 VAL CG1 . 11103 1 522 . 1 1 48 48 VAL CG2 C 13 20.684 0.300 . 2 . . . . 48 VAL CG2 . 11103 1 523 . 1 1 48 48 VAL N N 15 131.057 0.300 . 1 . . . . 48 VAL N . 11103 1 524 . 1 1 49 49 SER H H 1 9.388 0.030 . 1 . . . . 49 SER H . 11103 1 525 . 1 1 49 49 SER HA H 1 4.127 0.030 . 1 . . . . 49 SER HA . 11103 1 526 . 1 1 49 49 SER HB2 H 1 3.896 0.030 . 1 . . . . 49 SER HB2 . 11103 1 527 . 1 1 49 49 SER HB3 H 1 3.896 0.030 . 1 . . . . 49 SER HB3 . 11103 1 528 . 1 1 49 49 SER C C 13 175.700 0.300 . 1 . . . . 49 SER C . 11103 1 529 . 1 1 49 49 SER CA C 13 61.091 0.300 . 1 . . . . 49 SER CA . 11103 1 530 . 1 1 49 49 SER CB C 13 62.649 0.300 . 1 . . . . 49 SER CB . 11103 1 531 . 1 1 49 49 SER N N 15 113.177 0.300 . 1 . . . . 49 SER N . 11103 1 532 . 1 1 50 50 THR H H 1 6.965 0.030 . 1 . . . . 50 THR H . 11103 1 533 . 1 1 50 50 THR HA H 1 4.492 0.030 . 1 . . . . 50 THR HA . 11103 1 534 . 1 1 50 50 THR HB H 1 4.292 0.030 . 1 . . . . 50 THR HB . 11103 1 535 . 1 1 50 50 THR HG21 H 1 1.147 0.030 . 1 . . . . 50 THR HG2 . 11103 1 536 . 1 1 50 50 THR HG22 H 1 1.147 0.030 . 1 . . . . 50 THR HG2 . 11103 1 537 . 1 1 50 50 THR HG23 H 1 1.147 0.030 . 1 . . . . 50 THR HG2 . 11103 1 538 . 1 1 50 50 THR C C 13 176.461 0.300 . 1 . . . . 50 THR C . 11103 1 539 . 1 1 50 50 THR CA C 13 61.248 0.300 . 1 . . . . 50 THR CA . 11103 1 540 . 1 1 50 50 THR CB C 13 70.980 0.300 . 1 . . . . 50 THR CB . 11103 1 541 . 1 1 50 50 THR CG2 C 13 21.302 0.300 . 1 . . . . 50 THR CG2 . 11103 1 542 . 1 1 50 50 THR N N 15 107.060 0.300 . 1 . . . . 50 THR N . 11103 1 543 . 1 1 51 51 GLY H H 1 8.537 0.030 . 1 . . . . 51 GLY H . 11103 1 544 . 1 1 51 51 GLY HA2 H 1 4.162 0.030 . 2 . . . . 51 GLY HA2 . 11103 1 545 . 1 1 51 51 GLY HA3 H 1 3.567 0.030 . 2 . . . . 51 GLY HA3 . 11103 1 546 . 1 1 51 51 GLY C C 13 174.014 0.300 . 1 . . . . 51 GLY C . 11103 1 547 . 1 1 51 51 GLY CA C 13 45.595 0.300 . 1 . . . . 51 GLY CA . 11103 1 548 . 1 1 51 51 GLY N N 15 111.992 0.300 . 1 . . . . 51 GLY N . 11103 1 549 . 1 1 52 52 LYS H H 1 7.765 0.030 . 1 . . . . 52 LYS H . 11103 1 550 . 1 1 52 52 LYS HA H 1 4.218 0.030 . 1 . . . . 52 LYS HA . 11103 1 551 . 1 1 52 52 LYS HB2 H 1 1.866 0.030 . 2 . . . . 52 LYS HB2 . 11103 1 552 . 1 1 52 52 LYS HB3 H 1 1.795 0.030 . 2 . . . . 52 LYS HB3 . 11103 1 553 . 1 1 52 52 LYS HD2 H 1 1.734 0.030 . 1 . . . . 52 LYS HD2 . 11103 1 554 . 1 1 52 52 LYS HD3 H 1 1.734 0.030 . 1 . . . . 52 LYS HD3 . 11103 1 555 . 1 1 52 52 LYS HE2 H 1 3.014 0.030 . 1 . . . . 52 LYS HE2 . 11103 1 556 . 1 1 52 52 LYS HE3 H 1 3.014 0.030 . 1 . . . . 52 LYS HE3 . 11103 1 557 . 1 1 52 52 LYS HG2 H 1 1.402 0.030 . 2 . . . . 52 LYS HG2 . 11103 1 558 . 1 1 52 52 LYS HG3 H 1 1.455 0.030 . 2 . . . . 52 LYS HG3 . 11103 1 559 . 1 1 52 52 LYS C C 13 175.781 0.300 . 1 . . . . 52 LYS C . 11103 1 560 . 1 1 52 52 LYS CA C 13 57.522 0.300 . 1 . . . . 52 LYS CA . 11103 1 561 . 1 1 52 52 LYS CB C 13 32.691 0.300 . 1 . . . . 52 LYS CB . 11103 1 562 . 1 1 52 52 LYS CD C 13 29.011 0.300 . 1 . . . . 52 LYS CD . 11103 1 563 . 1 1 52 52 LYS CE C 13 42.231 0.300 . 1 . . . . 52 LYS CE . 11103 1 564 . 1 1 52 52 LYS CG C 13 25.072 0.300 . 1 . . . . 52 LYS CG . 11103 1 565 . 1 1 52 52 LYS N N 15 121.077 0.300 . 1 . . . . 52 LYS N . 11103 1 566 . 1 1 53 53 GLU H H 1 8.897 0.030 . 1 . . . . 53 GLU H . 11103 1 567 . 1 1 53 53 GLU HA H 1 5.259 0.030 . 1 . . . . 53 GLU HA . 11103 1 568 . 1 1 53 53 GLU HB2 H 1 1.965 0.030 . 2 . . . . 53 GLU HB2 . 11103 1 569 . 1 1 53 53 GLU HB3 H 1 2.063 0.030 . 2 . . . . 53 GLU HB3 . 11103 1 570 . 1 1 53 53 GLU HG2 H 1 2.293 0.030 . 2 . . . . 53 GLU HG2 . 11103 1 571 . 1 1 53 53 GLU HG3 H 1 2.141 0.030 . 2 . . . . 53 GLU HG3 . 11103 1 572 . 1 1 53 53 GLU C C 13 176.011 0.300 . 1 . . . . 53 GLU C . 11103 1 573 . 1 1 53 53 GLU CA C 13 55.424 0.300 . 1 . . . . 53 GLU CA . 11103 1 574 . 1 1 53 53 GLU CB C 13 33.993 0.300 . 1 . . . . 53 GLU CB . 11103 1 575 . 1 1 53 53 GLU CG C 13 37.123 0.300 . 1 . . . . 53 GLU CG . 11103 1 576 . 1 1 53 53 GLU N N 15 128.780 0.300 . 1 . . . . 53 GLU N . 11103 1 577 . 1 1 54 54 GLN H H 1 8.983 0.030 . 1 . . . . 54 GLN H . 11103 1 578 . 1 1 54 54 GLN HA H 1 4.730 0.030 . 1 . . . . 54 GLN HA . 11103 1 579 . 1 1 54 54 GLN HB2 H 1 2.038 0.030 . 2 . . . . 54 GLN HB2 . 11103 1 580 . 1 1 54 54 GLN HB3 H 1 1.924 0.030 . 2 . . . . 54 GLN HB3 . 11103 1 581 . 1 1 54 54 GLN HE21 H 1 6.605 0.030 . 2 . . . . 54 GLN HE21 . 11103 1 582 . 1 1 54 54 GLN HE22 H 1 7.572 0.030 . 2 . . . . 54 GLN HE22 . 11103 1 583 . 1 1 54 54 GLN HG2 H 1 2.307 0.030 . 1 . . . . 54 GLN HG2 . 11103 1 584 . 1 1 54 54 GLN HG3 H 1 2.307 0.030 . 1 . . . . 54 GLN HG3 . 11103 1 585 . 1 1 54 54 GLN C C 13 173.730 0.300 . 1 . . . . 54 GLN C . 11103 1 586 . 1 1 54 54 GLN CA C 13 54.967 0.300 . 1 . . . . 54 GLN CA . 11103 1 587 . 1 1 54 54 GLN CB C 13 32.604 0.300 . 1 . . . . 54 GLN CB . 11103 1 588 . 1 1 54 54 GLN CG C 13 34.007 0.300 . 1 . . . . 54 GLN CG . 11103 1 589 . 1 1 54 54 GLN N N 15 124.414 0.300 . 1 . . . . 54 GLN N . 11103 1 590 . 1 1 54 54 GLN NE2 N 15 109.842 0.300 . 1 . . . . 54 GLN NE2 . 11103 1 591 . 1 1 55 55 ASN H H 1 8.624 0.030 . 1 . . . . 55 ASN H . 11103 1 592 . 1 1 55 55 ASN HA H 1 5.279 0.030 . 1 . . . . 55 ASN HA . 11103 1 593 . 1 1 55 55 ASN HB2 H 1 2.467 0.030 . 2 . . . . 55 ASN HB2 . 11103 1 594 . 1 1 55 55 ASN HB3 H 1 2.168 0.030 . 2 . . . . 55 ASN HB3 . 11103 1 595 . 1 1 55 55 ASN HD21 H 1 7.378 0.030 . 2 . . . . 55 ASN HD21 . 11103 1 596 . 1 1 55 55 ASN HD22 H 1 6.598 0.030 . 2 . . . . 55 ASN HD22 . 11103 1 597 . 1 1 55 55 ASN C C 13 173.940 0.300 . 1 . . . . 55 ASN C . 11103 1 598 . 1 1 55 55 ASN CA C 13 51.911 0.300 . 1 . . . . 55 ASN CA . 11103 1 599 . 1 1 55 55 ASN CB C 13 40.940 0.300 . 1 . . . . 55 ASN CB . 11103 1 600 . 1 1 55 55 ASN N N 15 122.058 0.300 . 1 . . . . 55 ASN N . 11103 1 601 . 1 1 55 55 ASN ND2 N 15 111.452 0.300 . 1 . . . . 55 ASN ND2 . 11103 1 602 . 1 1 56 56 ILE H H 1 8.808 0.030 . 1 . . . . 56 ILE H . 11103 1 603 . 1 1 56 56 ILE HA H 1 4.223 0.030 . 1 . . . . 56 ILE HA . 11103 1 604 . 1 1 56 56 ILE HB H 1 1.395 0.030 . 1 . . . . 56 ILE HB . 11103 1 605 . 1 1 56 56 ILE HD11 H 1 0.750 0.030 . 1 . . . . 56 ILE HD1 . 11103 1 606 . 1 1 56 56 ILE HD12 H 1 0.750 0.030 . 1 . . . . 56 ILE HD1 . 11103 1 607 . 1 1 56 56 ILE HD13 H 1 0.750 0.030 . 1 . . . . 56 ILE HD1 . 11103 1 608 . 1 1 56 56 ILE HG12 H 1 1.237 0.030 . 2 . . . . 56 ILE HG12 . 11103 1 609 . 1 1 56 56 ILE HG13 H 1 0.945 0.030 . 2 . . . . 56 ILE HG13 . 11103 1 610 . 1 1 56 56 ILE HG21 H 1 0.644 0.030 . 1 . . . . 56 ILE HG2 . 11103 1 611 . 1 1 56 56 ILE HG22 H 1 0.644 0.030 . 1 . . . . 56 ILE HG2 . 11103 1 612 . 1 1 56 56 ILE HG23 H 1 0.644 0.030 . 1 . . . . 56 ILE HG2 . 11103 1 613 . 1 1 56 56 ILE C C 13 174.312 0.300 . 1 . . . . 56 ILE C . 11103 1 614 . 1 1 56 56 ILE CA C 13 60.322 0.300 . 1 . . . . 56 ILE CA . 11103 1 615 . 1 1 56 56 ILE CB C 13 42.723 0.300 . 1 . . . . 56 ILE CB . 11103 1 616 . 1 1 56 56 ILE CD1 C 13 14.470 0.300 . 1 . . . . 56 ILE CD1 . 11103 1 617 . 1 1 56 56 ILE CG1 C 13 27.645 0.300 . 1 . . . . 56 ILE CG1 . 11103 1 618 . 1 1 56 56 ILE CG2 C 13 17.654 0.300 . 1 . . . . 56 ILE CG2 . 11103 1 619 . 1 1 56 56 ILE N N 15 123.792 0.300 . 1 . . . . 56 ILE N . 11103 1 620 . 1 1 57 57 GLU H H 1 8.320 0.030 . 1 . . . . 57 GLU H . 11103 1 621 . 1 1 57 57 GLU HA H 1 4.742 0.030 . 1 . . . . 57 GLU HA . 11103 1 622 . 1 1 57 57 GLU HB2 H 1 2.091 0.030 . 2 . . . . 57 GLU HB2 . 11103 1 623 . 1 1 57 57 GLU HB3 H 1 1.881 0.030 . 2 . . . . 57 GLU HB3 . 11103 1 624 . 1 1 57 57 GLU HG2 H 1 2.312 0.030 . 2 . . . . 57 GLU HG2 . 11103 1 625 . 1 1 57 57 GLU HG3 H 1 2.125 0.030 . 2 . . . . 57 GLU HG3 . 11103 1 626 . 1 1 57 57 GLU C C 13 175.848 0.300 . 1 . . . . 57 GLU C . 11103 1 627 . 1 1 57 57 GLU CA C 13 56.027 0.300 . 1 . . . . 57 GLU CA . 11103 1 628 . 1 1 57 57 GLU CB C 13 29.893 0.300 . 1 . . . . 57 GLU CB . 11103 1 629 . 1 1 57 57 GLU CG C 13 36.541 0.300 . 1 . . . . 57 GLU CG . 11103 1 630 . 1 1 57 57 GLU N N 15 126.793 0.300 . 1 . . . . 57 GLU N . 11103 1 631 . 1 1 58 58 VAL H H 1 8.378 0.030 . 1 . . . . 58 VAL H . 11103 1 632 . 1 1 58 58 VAL HA H 1 4.670 0.030 . 1 . . . . 58 VAL HA . 11103 1 633 . 1 1 58 58 VAL HB H 1 2.066 0.030 . 1 . . . . 58 VAL HB . 11103 1 634 . 1 1 58 58 VAL HG11 H 1 0.216 0.030 . 1 . . . . 58 VAL HG1 . 11103 1 635 . 1 1 58 58 VAL HG12 H 1 0.216 0.030 . 1 . . . . 58 VAL HG1 . 11103 1 636 . 1 1 58 58 VAL HG13 H 1 0.216 0.030 . 1 . . . . 58 VAL HG1 . 11103 1 637 . 1 1 58 58 VAL HG21 H 1 0.462 0.030 . 1 . . . . 58 VAL HG2 . 11103 1 638 . 1 1 58 58 VAL HG22 H 1 0.462 0.030 . 1 . . . . 58 VAL HG2 . 11103 1 639 . 1 1 58 58 VAL HG23 H 1 0.462 0.030 . 1 . . . . 58 VAL HG2 . 11103 1 640 . 1 1 58 58 VAL C C 13 173.753 0.300 . 1 . . . . 58 VAL C . 11103 1 641 . 1 1 58 58 VAL CA C 13 59.691 0.300 . 1 . . . . 58 VAL CA . 11103 1 642 . 1 1 58 58 VAL CB C 13 35.781 0.300 . 1 . . . . 58 VAL CB . 11103 1 643 . 1 1 58 58 VAL CG1 C 13 21.814 0.300 . 2 . . . . 58 VAL CG1 . 11103 1 644 . 1 1 58 58 VAL CG2 C 13 20.897 0.300 . 2 . . . . 58 VAL CG2 . 11103 1 645 . 1 1 58 58 VAL N N 15 118.410 0.300 . 1 . . . . 58 VAL N . 11103 1 646 . 1 1 59 59 ASP H H 1 8.267 0.030 . 1 . . . . 59 ASP H . 11103 1 647 . 1 1 59 59 ASP HA H 1 5.291 0.030 . 1 . . . . 59 ASP HA . 11103 1 648 . 1 1 59 59 ASP HB2 H 1 2.934 0.030 . 2 . . . . 59 ASP HB2 . 11103 1 649 . 1 1 59 59 ASP HB3 H 1 2.865 0.030 . 2 . . . . 59 ASP HB3 . 11103 1 650 . 1 1 59 59 ASP CA C 13 52.967 0.300 . 1 . . . . 59 ASP CA . 11103 1 651 . 1 1 59 59 ASP CB C 13 43.597 0.300 . 1 . . . . 59 ASP CB . 11103 1 652 . 1 1 59 59 ASP N N 15 120.203 0.300 . 1 . . . . 59 ASP N . 11103 1 653 . 1 1 60 60 GLY H H 1 8.619 0.030 . 1 . . . . 60 GLY H . 11103 1 654 . 1 1 60 60 GLY HA2 H 1 3.786 0.030 . 2 . . . . 60 GLY HA2 . 11103 1 655 . 1 1 60 60 GLY HA3 H 1 4.265 0.030 . 2 . . . . 60 GLY HA3 . 11103 1 656 . 1 1 60 60 GLY CA C 13 45.543 0.300 . 1 . . . . 60 GLY CA . 11103 1 657 . 1 1 61 61 LEU H H 1 7.567 0.030 . 1 . . . . 61 LEU H . 11103 1 658 . 1 1 61 61 LEU HB2 H 1 1.596 0.030 . 1 . . . . 61 LEU HB2 . 11103 1 659 . 1 1 61 61 LEU HB3 H 1 1.596 0.030 . 1 . . . . 61 LEU HB3 . 11103 1 660 . 1 1 61 61 LEU HD11 H 1 0.824 0.030 . 1 . . . . 61 LEU HD1 . 11103 1 661 . 1 1 61 61 LEU HD12 H 1 0.824 0.030 . 1 . . . . 61 LEU HD1 . 11103 1 662 . 1 1 61 61 LEU HD13 H 1 0.824 0.030 . 1 . . . . 61 LEU HD1 . 11103 1 663 . 1 1 61 61 LEU HD21 H 1 0.595 0.030 . 1 . . . . 61 LEU HD2 . 11103 1 664 . 1 1 61 61 LEU HD22 H 1 0.595 0.030 . 1 . . . . 61 LEU HD2 . 11103 1 665 . 1 1 61 61 LEU HD23 H 1 0.595 0.030 . 1 . . . . 61 LEU HD2 . 11103 1 666 . 1 1 61 61 LEU HG H 1 1.235 0.030 . 1 . . . . 61 LEU HG . 11103 1 667 . 1 1 61 61 LEU C C 13 174.705 0.300 . 1 . . . . 61 LEU C . 11103 1 668 . 1 1 61 61 LEU CA C 13 54.129 0.300 . 1 . . . . 61 LEU CA . 11103 1 669 . 1 1 61 61 LEU CB C 13 41.889 0.300 . 1 . . . . 61 LEU CB . 11103 1 670 . 1 1 61 61 LEU CD1 C 13 25.715 0.300 . 2 . . . . 61 LEU CD1 . 11103 1 671 . 1 1 61 61 LEU CD2 C 13 22.013 0.300 . 2 . . . . 61 LEU CD2 . 11103 1 672 . 1 1 61 61 LEU CG C 13 26.727 0.300 . 1 . . . . 61 LEU CG . 11103 1 673 . 1 1 62 62 SER H H 1 6.759 0.030 . 1 . . . . 62 SER H . 11103 1 674 . 1 1 62 62 SER HA H 1 4.800 0.030 . 1 . . . . 62 SER HA . 11103 1 675 . 1 1 62 62 SER HB2 H 1 3.544 0.030 . 1 . . . . 62 SER HB2 . 11103 1 676 . 1 1 62 62 SER HB3 H 1 3.544 0.030 . 1 . . . . 62 SER HB3 . 11103 1 677 . 1 1 62 62 SER C C 13 173.414 0.300 . 1 . . . . 62 SER C . 11103 1 678 . 1 1 62 62 SER CA C 13 56.816 0.300 . 1 . . . . 62 SER CA . 11103 1 679 . 1 1 62 62 SER CB C 13 65.432 0.300 . 1 . . . . 62 SER CB . 11103 1 680 . 1 1 62 62 SER N N 15 111.493 0.300 . 1 . . . . 62 SER N . 11103 1 681 . 1 1 63 63 TYR H H 1 9.541 0.030 . 1 . . . . 63 TYR H . 11103 1 682 . 1 1 63 63 TYR HA H 1 4.629 0.030 . 1 . . . . 63 TYR HA . 11103 1 683 . 1 1 63 63 TYR HB2 H 1 3.477 0.030 . 2 . . . . 63 TYR HB2 . 11103 1 684 . 1 1 63 63 TYR HB3 H 1 2.715 0.030 . 2 . . . . 63 TYR HB3 . 11103 1 685 . 1 1 63 63 TYR HD1 H 1 7.092 0.030 . 1 . . . . 63 TYR HD1 . 11103 1 686 . 1 1 63 63 TYR HD2 H 1 7.092 0.030 . 1 . . . . 63 TYR HD2 . 11103 1 687 . 1 1 63 63 TYR HE1 H 1 6.755 0.030 . 1 . . . . 63 TYR HE1 . 11103 1 688 . 1 1 63 63 TYR HE2 H 1 6.755 0.030 . 1 . . . . 63 TYR HE2 . 11103 1 689 . 1 1 63 63 TYR C C 13 171.966 0.300 . 1 . . . . 63 TYR C . 11103 1 690 . 1 1 63 63 TYR CA C 13 59.343 0.300 . 1 . . . . 63 TYR CA . 11103 1 691 . 1 1 63 63 TYR CB C 13 42.342 0.300 . 1 . . . . 63 TYR CB . 11103 1 692 . 1 1 63 63 TYR CD1 C 13 132.596 0.300 . 1 . . . . 63 TYR CD1 . 11103 1 693 . 1 1 63 63 TYR CD2 C 13 132.596 0.300 . 1 . . . . 63 TYR CD2 . 11103 1 694 . 1 1 63 63 TYR CE1 C 13 118.516 0.300 . 1 . . . . 63 TYR CE1 . 11103 1 695 . 1 1 63 63 TYR CE2 C 13 118.516 0.300 . 1 . . . . 63 TYR CE2 . 11103 1 696 . 1 1 63 63 TYR N N 15 123.324 0.300 . 1 . . . . 63 TYR N . 11103 1 697 . 1 1 64 64 LYS H H 1 7.544 0.030 . 1 . . . . 64 LYS H . 11103 1 698 . 1 1 64 64 LYS HA H 1 4.808 0.030 . 1 . . . . 64 LYS HA . 11103 1 699 . 1 1 64 64 LYS HB2 H 1 1.592 0.030 . 2 . . . . 64 LYS HB2 . 11103 1 700 . 1 1 64 64 LYS HB3 H 1 1.341 0.030 . 2 . . . . 64 LYS HB3 . 11103 1 701 . 1 1 64 64 LYS HD2 H 1 1.530 0.030 . 1 . . . . 64 LYS HD2 . 11103 1 702 . 1 1 64 64 LYS HD3 H 1 1.530 0.030 . 1 . . . . 64 LYS HD3 . 11103 1 703 . 1 1 64 64 LYS HE2 H 1 2.838 0.030 . 2 . . . . 64 LYS HE2 . 11103 1 704 . 1 1 64 64 LYS HE3 H 1 2.776 0.030 . 2 . . . . 64 LYS HE3 . 11103 1 705 . 1 1 64 64 LYS HG2 H 1 1.041 0.030 . 1 . . . . 64 LYS HG2 . 11103 1 706 . 1 1 64 64 LYS HG3 H 1 1.041 0.030 . 1 . . . . 64 LYS HG3 . 11103 1 707 . 1 1 64 64 LYS C C 13 173.302 0.300 . 1 . . . . 64 LYS C . 11103 1 708 . 1 1 64 64 LYS CA C 13 54.573 0.300 . 1 . . . . 64 LYS CA . 11103 1 709 . 1 1 64 64 LYS CB C 13 33.286 0.300 . 1 . . . . 64 LYS CB . 11103 1 710 . 1 1 64 64 LYS CD C 13 29.467 0.300 . 1 . . . . 64 LYS CD . 11103 1 711 . 1 1 64 64 LYS CE C 13 41.776 0.300 . 1 . . . . 64 LYS CE . 11103 1 712 . 1 1 64 64 LYS CG C 13 25.225 0.300 . 1 . . . . 64 LYS CG . 11103 1 713 . 1 1 64 64 LYS N N 15 129.094 0.300 . 1 . . . . 64 LYS N . 11103 1 714 . 1 1 65 65 LEU H H 1 8.954 0.030 . 1 . . . . 65 LEU H . 11103 1 715 . 1 1 65 65 LEU HA H 1 4.338 0.030 . 1 . . . . 65 LEU HA . 11103 1 716 . 1 1 65 65 LEU HB2 H 1 1.835 0.030 . 2 . . . . 65 LEU HB2 . 11103 1 717 . 1 1 65 65 LEU HB3 H 1 1.310 0.030 . 2 . . . . 65 LEU HB3 . 11103 1 718 . 1 1 65 65 LEU HD11 H 1 0.989 0.030 . 1 . . . . 65 LEU HD1 . 11103 1 719 . 1 1 65 65 LEU HD12 H 1 0.989 0.030 . 1 . . . . 65 LEU HD1 . 11103 1 720 . 1 1 65 65 LEU HD13 H 1 0.989 0.030 . 1 . . . . 65 LEU HD1 . 11103 1 721 . 1 1 65 65 LEU HD21 H 1 0.860 0.030 . 1 . . . . 65 LEU HD2 . 11103 1 722 . 1 1 65 65 LEU HD22 H 1 0.860 0.030 . 1 . . . . 65 LEU HD2 . 11103 1 723 . 1 1 65 65 LEU HD23 H 1 0.860 0.030 . 1 . . . . 65 LEU HD2 . 11103 1 724 . 1 1 65 65 LEU HG H 1 1.489 0.030 . 1 . . . . 65 LEU HG . 11103 1 725 . 1 1 65 65 LEU C C 13 174.592 0.300 . 1 . . . . 65 LEU C . 11103 1 726 . 1 1 65 65 LEU CA C 13 54.314 0.300 . 1 . . . . 65 LEU CA . 11103 1 727 . 1 1 65 65 LEU CB C 13 43.348 0.300 . 1 . . . . 65 LEU CB . 11103 1 728 . 1 1 65 65 LEU CD1 C 13 24.331 0.300 . 2 . . . . 65 LEU CD1 . 11103 1 729 . 1 1 65 65 LEU CD2 C 13 26.749 0.300 . 2 . . . . 65 LEU CD2 . 11103 1 730 . 1 1 65 65 LEU CG C 13 26.917 0.300 . 1 . . . . 65 LEU CG . 11103 1 731 . 1 1 65 65 LEU N N 15 129.750 0.300 . 1 . . . . 65 LEU N . 11103 1 732 . 1 1 66 66 GLU H H 1 8.199 0.030 . 1 . . . . 66 GLU H . 11103 1 733 . 1 1 66 66 GLU HA H 1 4.928 0.030 . 1 . . . . 66 GLU HA . 11103 1 734 . 1 1 66 66 GLU HB2 H 1 2.056 0.030 . 2 . . . . 66 GLU HB2 . 11103 1 735 . 1 1 66 66 GLU HB3 H 1 1.720 0.030 . 2 . . . . 66 GLU HB3 . 11103 1 736 . 1 1 66 66 GLU HG2 H 1 2.139 0.030 . 2 . . . . 66 GLU HG2 . 11103 1 737 . 1 1 66 66 GLU HG3 H 1 1.957 0.030 . 2 . . . . 66 GLU HG3 . 11103 1 738 . 1 1 66 66 GLU C C 13 176.418 0.300 . 1 . . . . 66 GLU C . 11103 1 739 . 1 1 66 66 GLU CA C 13 54.334 0.300 . 1 . . . . 66 GLU CA . 11103 1 740 . 1 1 66 66 GLU CB C 13 32.921 0.300 . 1 . . . . 66 GLU CB . 11103 1 741 . 1 1 66 66 GLU CG C 13 36.479 0.300 . 1 . . . . 66 GLU CG . 11103 1 742 . 1 1 66 66 GLU N N 15 124.773 0.300 . 1 . . . . 66 GLU N . 11103 1 743 . 1 1 67 67 GLY H H 1 8.906 0.030 . 1 . . . . 67 GLY H . 11103 1 744 . 1 1 67 67 GLY HA2 H 1 3.976 0.030 . 2 . . . . 67 GLY HA2 . 11103 1 745 . 1 1 67 67 GLY HA3 H 1 3.834 0.030 . 2 . . . . 67 GLY HA3 . 11103 1 746 . 1 1 67 67 GLY C C 13 175.440 0.300 . 1 . . . . 67 GLY C . 11103 1 747 . 1 1 67 67 GLY CA C 13 46.030 0.300 . 1 . . . . 67 GLY CA . 11103 1 748 . 1 1 67 67 GLY N N 15 107.672 0.300 . 1 . . . . 67 GLY N . 11103 1 749 . 1 1 68 68 LEU H H 1 8.302 0.030 . 1 . . . . 68 LEU H . 11103 1 750 . 1 1 68 68 LEU HA H 1 4.218 0.030 . 1 . . . . 68 LEU HA . 11103 1 751 . 1 1 68 68 LEU HB2 H 1 1.480 0.030 . 2 . . . . 68 LEU HB2 . 11103 1 752 . 1 1 68 68 LEU HB3 H 1 1.055 0.030 . 2 . . . . 68 LEU HB3 . 11103 1 753 . 1 1 68 68 LEU HD11 H 1 0.090 0.030 . 1 . . . . 68 LEU HD1 . 11103 1 754 . 1 1 68 68 LEU HD12 H 1 0.090 0.030 . 1 . . . . 68 LEU HD1 . 11103 1 755 . 1 1 68 68 LEU HD13 H 1 0.090 0.030 . 1 . . . . 68 LEU HD1 . 11103 1 756 . 1 1 68 68 LEU HD21 H 1 0.152 0.030 . 1 . . . . 68 LEU HD2 . 11103 1 757 . 1 1 68 68 LEU HD22 H 1 0.152 0.030 . 1 . . . . 68 LEU HD2 . 11103 1 758 . 1 1 68 68 LEU HD23 H 1 0.152 0.030 . 1 . . . . 68 LEU HD2 . 11103 1 759 . 1 1 68 68 LEU HG H 1 1.083 0.030 . 1 . . . . 68 LEU HG . 11103 1 760 . 1 1 68 68 LEU C C 13 174.928 0.300 . 1 . . . . 68 LEU C . 11103 1 761 . 1 1 68 68 LEU CA C 13 53.206 0.300 . 1 . . . . 68 LEU CA . 11103 1 762 . 1 1 68 68 LEU CB C 13 40.958 0.300 . 1 . . . . 68 LEU CB . 11103 1 763 . 1 1 68 68 LEU CD1 C 13 26.051 0.300 . 2 . . . . 68 LEU CD1 . 11103 1 764 . 1 1 68 68 LEU CD2 C 13 19.440 0.300 . 2 . . . . 68 LEU CD2 . 11103 1 765 . 1 1 68 68 LEU CG C 13 26.169 0.300 . 1 . . . . 68 LEU CG . 11103 1 766 . 1 1 68 68 LEU N N 15 119.646 0.300 . 1 . . . . 68 LEU N . 11103 1 767 . 1 1 69 69 LYS H H 1 8.064 0.030 . 1 . . . . 69 LYS H . 11103 1 768 . 1 1 69 69 LYS HA H 1 4.356 0.030 . 1 . . . . 69 LYS HA . 11103 1 769 . 1 1 69 69 LYS HB2 H 1 1.808 0.030 . 2 . . . . 69 LYS HB2 . 11103 1 770 . 1 1 69 69 LYS HB3 H 1 1.731 0.030 . 2 . . . . 69 LYS HB3 . 11103 1 771 . 1 1 69 69 LYS HD2 H 1 1.678 0.030 . 1 . . . . 69 LYS HD2 . 11103 1 772 . 1 1 69 69 LYS HD3 H 1 1.678 0.030 . 1 . . . . 69 LYS HD3 . 11103 1 773 . 1 1 69 69 LYS HE2 H 1 2.963 0.030 . 2 . . . . 69 LYS HE2 . 11103 1 774 . 1 1 69 69 LYS HG2 H 1 1.552 0.030 . 2 . . . . 69 LYS HG2 . 11103 1 775 . 1 1 69 69 LYS HG3 H 1 1.404 0.030 . 2 . . . . 69 LYS HG3 . 11103 1 776 . 1 1 69 69 LYS C C 13 176.062 0.300 . 1 . . . . 69 LYS C . 11103 1 777 . 1 1 69 69 LYS CA C 13 55.666 0.300 . 1 . . . . 69 LYS CA . 11103 1 778 . 1 1 69 69 LYS CB C 13 34.862 0.300 . 1 . . . . 69 LYS CB . 11103 1 779 . 1 1 69 69 LYS CD C 13 29.906 0.300 . 1 . . . . 69 LYS CD . 11103 1 780 . 1 1 69 69 LYS CE C 13 42.167 0.300 . 1 . . . . 69 LYS CE . 11103 1 781 . 1 1 69 69 LYS CG C 13 25.539 0.300 . 1 . . . . 69 LYS CG . 11103 1 782 . 1 1 69 69 LYS N N 15 118.748 0.300 . 1 . . . . 69 LYS N . 11103 1 783 . 1 1 70 70 LYS H H 1 8.041 0.030 . 1 . . . . 70 LYS H . 11103 1 784 . 1 1 70 70 LYS HA H 1 5.000 0.030 . 1 . . . . 70 LYS HA . 11103 1 785 . 1 1 70 70 LYS HB2 H 1 1.826 0.030 . 2 . . . . 70 LYS HB2 . 11103 1 786 . 1 1 70 70 LYS HB3 H 1 1.739 0.030 . 2 . . . . 70 LYS HB3 . 11103 1 787 . 1 1 70 70 LYS HD2 H 1 1.687 0.030 . 1 . . . . 70 LYS HD2 . 11103 1 788 . 1 1 70 70 LYS HD3 H 1 1.687 0.030 . 1 . . . . 70 LYS HD3 . 11103 1 789 . 1 1 70 70 LYS HE2 H 1 2.957 0.030 . 2 . . . . 70 LYS HE2 . 11103 1 790 . 1 1 70 70 LYS HG2 H 1 1.368 0.030 . 2 . . . . 70 LYS HG2 . 11103 1 791 . 1 1 70 70 LYS HG3 H 1 1.523 0.030 . 2 . . . . 70 LYS HG3 . 11103 1 792 . 1 1 70 70 LYS C C 13 177.378 0.300 . 1 . . . . 70 LYS C . 11103 1 793 . 1 1 70 70 LYS CA C 13 56.354 0.300 . 1 . . . . 70 LYS CA . 11103 1 794 . 1 1 70 70 LYS CB C 13 33.397 0.300 . 1 . . . . 70 LYS CB . 11103 1 795 . 1 1 70 70 LYS CD C 13 29.906 0.300 . 1 . . . . 70 LYS CD . 11103 1 796 . 1 1 70 70 LYS CE C 13 41.951 0.300 . 1 . . . . 70 LYS CE . 11103 1 797 . 1 1 70 70 LYS CG C 13 24.624 0.300 . 1 . . . . 70 LYS CG . 11103 1 798 . 1 1 70 70 LYS N N 15 120.282 0.300 . 1 . . . . 70 LYS N . 11103 1 799 . 1 1 71 71 PHE H H 1 7.948 0.030 . 1 . . . . 71 PHE H . 11103 1 800 . 1 1 71 71 PHE HA H 1 4.668 0.030 . 1 . . . . 71 PHE HA . 11103 1 801 . 1 1 71 71 PHE HB2 H 1 3.395 0.030 . 2 . . . . 71 PHE HB2 . 11103 1 802 . 1 1 71 71 PHE HB3 H 1 2.571 0.030 . 2 . . . . 71 PHE HB3 . 11103 1 803 . 1 1 71 71 PHE HD1 H 1 7.329 0.030 . 1 . . . . 71 PHE HD1 . 11103 1 804 . 1 1 71 71 PHE HD2 H 1 7.329 0.030 . 1 . . . . 71 PHE HD2 . 11103 1 805 . 1 1 71 71 PHE HZ H 1 7.229 0.030 . 1 . . . . 71 PHE HZ . 11103 1 806 . 1 1 71 71 PHE C C 13 174.452 0.300 . 1 . . . . 71 PHE C . 11103 1 807 . 1 1 71 71 PHE CA C 13 56.400 0.300 . 1 . . . . 71 PHE CA . 11103 1 808 . 1 1 71 71 PHE CB C 13 39.146 0.300 . 1 . . . . 71 PHE CB . 11103 1 809 . 1 1 71 71 PHE CD1 C 13 131.174 0.300 . 1 . . . . 71 PHE CD1 . 11103 1 810 . 1 1 71 71 PHE CD2 C 13 131.174 0.300 . 1 . . . . 71 PHE CD2 . 11103 1 811 . 1 1 71 71 PHE CZ C 13 128.910 0.300 . 1 . . . . 71 PHE CZ . 11103 1 812 . 1 1 71 71 PHE N N 15 131.148 0.300 . 1 . . . . 71 PHE N . 11103 1 813 . 1 1 72 72 THR H H 1 8.675 0.030 . 1 . . . . 72 THR H . 11103 1 814 . 1 1 72 72 THR HA H 1 4.343 0.030 . 1 . . . . 72 THR HA . 11103 1 815 . 1 1 72 72 THR HB H 1 3.865 0.030 . 1 . . . . 72 THR HB . 11103 1 816 . 1 1 72 72 THR HG21 H 1 0.770 0.030 . 1 . . . . 72 THR HG2 . 11103 1 817 . 1 1 72 72 THR HG22 H 1 0.770 0.030 . 1 . . . . 72 THR HG2 . 11103 1 818 . 1 1 72 72 THR HG23 H 1 0.770 0.030 . 1 . . . . 72 THR HG2 . 11103 1 819 . 1 1 72 72 THR C C 13 171.378 0.300 . 1 . . . . 72 THR C . 11103 1 820 . 1 1 72 72 THR CA C 13 62.718 0.300 . 1 . . . . 72 THR CA . 11103 1 821 . 1 1 72 72 THR CB C 13 71.680 0.300 . 1 . . . . 72 THR CB . 11103 1 822 . 1 1 72 72 THR CG2 C 13 20.675 0.300 . 1 . . . . 72 THR CG2 . 11103 1 823 . 1 1 72 72 THR N N 15 116.735 0.300 . 1 . . . . 72 THR N . 11103 1 824 . 1 1 73 73 GLU H H 1 8.112 0.030 . 1 . . . . 73 GLU H . 11103 1 825 . 1 1 73 73 GLU HA H 1 4.518 0.030 . 1 . . . . 73 GLU HA . 11103 1 826 . 1 1 73 73 GLU HB2 H 1 1.840 0.030 . 2 . . . . 73 GLU HB2 . 11103 1 827 . 1 1 73 73 GLU HB3 H 1 1.761 0.030 . 2 . . . . 73 GLU HB3 . 11103 1 828 . 1 1 73 73 GLU HG2 H 1 2.008 0.030 . 2 . . . . 73 GLU HG2 . 11103 1 829 . 1 1 73 73 GLU HG3 H 1 1.918 0.030 . 2 . . . . 73 GLU HG3 . 11103 1 830 . 1 1 73 73 GLU C C 13 174.839 0.300 . 1 . . . . 73 GLU C . 11103 1 831 . 1 1 73 73 GLU CA C 13 56.437 0.300 . 1 . . . . 73 GLU CA . 11103 1 832 . 1 1 73 73 GLU CB C 13 31.194 0.300 . 1 . . . . 73 GLU CB . 11103 1 833 . 1 1 73 73 GLU CG C 13 36.506 0.300 . 1 . . . . 73 GLU CG . 11103 1 834 . 1 1 73 73 GLU N N 15 125.731 0.300 . 1 . . . . 73 GLU N . 11103 1 835 . 1 1 74 74 TYR H H 1 9.359 0.030 . 1 . . . . 74 TYR H . 11103 1 836 . 1 1 74 74 TYR HA H 1 5.273 0.030 . 1 . . . . 74 TYR HA . 11103 1 837 . 1 1 74 74 TYR HB2 H 1 2.896 0.030 . 2 . . . . 74 TYR HB2 . 11103 1 838 . 1 1 74 74 TYR HB3 H 1 2.564 0.030 . 2 . . . . 74 TYR HB3 . 11103 1 839 . 1 1 74 74 TYR HD1 H 1 6.968 0.030 . 1 . . . . 74 TYR HD1 . 11103 1 840 . 1 1 74 74 TYR HD2 H 1 6.968 0.030 . 1 . . . . 74 TYR HD2 . 11103 1 841 . 1 1 74 74 TYR HE1 H 1 6.767 0.030 . 1 . . . . 74 TYR HE1 . 11103 1 842 . 1 1 74 74 TYR HE2 H 1 6.767 0.030 . 1 . . . . 74 TYR HE2 . 11103 1 843 . 1 1 74 74 TYR C C 13 174.018 0.300 . 1 . . . . 74 TYR C . 11103 1 844 . 1 1 74 74 TYR CA C 13 57.731 0.300 . 1 . . . . 74 TYR CA . 11103 1 845 . 1 1 74 74 TYR CB C 13 42.009 0.300 . 1 . . . . 74 TYR CB . 11103 1 846 . 1 1 74 74 TYR CD1 C 13 133.680 0.300 . 1 . . . . 74 TYR CD1 . 11103 1 847 . 1 1 74 74 TYR CD2 C 13 133.680 0.300 . 1 . . . . 74 TYR CD2 . 11103 1 848 . 1 1 74 74 TYR CE1 C 13 118.051 0.300 . 1 . . . . 74 TYR CE1 . 11103 1 849 . 1 1 74 74 TYR CE2 C 13 118.051 0.300 . 1 . . . . 74 TYR CE2 . 11103 1 850 . 1 1 74 74 TYR N N 15 127.022 0.300 . 1 . . . . 74 TYR N . 11103 1 851 . 1 1 75 75 SER H H 1 9.320 0.030 . 1 . . . . 75 SER H . 11103 1 852 . 1 1 75 75 SER HA H 1 5.387 0.030 . 1 . . . . 75 SER HA . 11103 1 853 . 1 1 75 75 SER HB2 H 1 3.601 0.030 . 1 . . . . 75 SER HB2 . 11103 1 854 . 1 1 75 75 SER HB3 H 1 3.601 0.030 . 1 . . . . 75 SER HB3 . 11103 1 855 . 1 1 75 75 SER C C 13 174.621 0.300 . 1 . . . . 75 SER C . 11103 1 856 . 1 1 75 75 SER CA C 13 55.943 0.300 . 1 . . . . 75 SER CA . 11103 1 857 . 1 1 75 75 SER CB C 13 64.515 0.300 . 1 . . . . 75 SER CB . 11103 1 858 . 1 1 75 75 SER N N 15 115.138 0.300 . 1 . . . . 75 SER N . 11103 1 859 . 1 1 76 76 LEU H H 1 9.632 0.030 . 1 . . . . 76 LEU H . 11103 1 860 . 1 1 76 76 LEU HA H 1 5.696 0.030 . 1 . . . . 76 LEU HA . 11103 1 861 . 1 1 76 76 LEU HB2 H 1 1.756 0.030 . 2 . . . . 76 LEU HB2 . 11103 1 862 . 1 1 76 76 LEU HB3 H 1 1.392 0.030 . 2 . . . . 76 LEU HB3 . 11103 1 863 . 1 1 76 76 LEU HD11 H 1 0.770 0.030 . 1 . . . . 76 LEU HD1 . 11103 1 864 . 1 1 76 76 LEU HD12 H 1 0.770 0.030 . 1 . . . . 76 LEU HD1 . 11103 1 865 . 1 1 76 76 LEU HD13 H 1 0.770 0.030 . 1 . . . . 76 LEU HD1 . 11103 1 866 . 1 1 76 76 LEU HD21 H 1 0.817 0.030 . 1 . . . . 76 LEU HD2 . 11103 1 867 . 1 1 76 76 LEU HD22 H 1 0.817 0.030 . 1 . . . . 76 LEU HD2 . 11103 1 868 . 1 1 76 76 LEU HD23 H 1 0.817 0.030 . 1 . . . . 76 LEU HD2 . 11103 1 869 . 1 1 76 76 LEU HG H 1 1.753 0.030 . 1 . . . . 76 LEU HG . 11103 1 870 . 1 1 76 76 LEU C C 13 175.566 0.300 . 1 . . . . 76 LEU C . 11103 1 871 . 1 1 76 76 LEU CA C 13 53.647 0.300 . 1 . . . . 76 LEU CA . 11103 1 872 . 1 1 76 76 LEU CB C 13 44.863 0.300 . 1 . . . . 76 LEU CB . 11103 1 873 . 1 1 76 76 LEU CD1 C 13 26.189 0.300 . 2 . . . . 76 LEU CD1 . 11103 1 874 . 1 1 76 76 LEU CD2 C 13 24.969 0.300 . 2 . . . . 76 LEU CD2 . 11103 1 875 . 1 1 76 76 LEU CG C 13 27.875 0.300 . 1 . . . . 76 LEU CG . 11103 1 876 . 1 1 76 76 LEU N N 15 128.051 0.300 . 1 . . . . 76 LEU N . 11103 1 877 . 1 1 77 77 ARG H H 1 8.688 0.030 . 1 . . . . 77 ARG H . 11103 1 878 . 1 1 77 77 ARG HA H 1 4.847 0.030 . 1 . . . . 77 ARG HA . 11103 1 879 . 1 1 77 77 ARG HB2 H 1 1.834 0.030 . 2 . . . . 77 ARG HB2 . 11103 1 880 . 1 1 77 77 ARG HB3 H 1 1.729 0.030 . 2 . . . . 77 ARG HB3 . 11103 1 881 . 1 1 77 77 ARG HD2 H 1 3.019 0.030 . 1 . . . . 77 ARG HD2 . 11103 1 882 . 1 1 77 77 ARG HD3 H 1 3.019 0.030 . 1 . . . . 77 ARG HD3 . 11103 1 883 . 1 1 77 77 ARG HE H 1 7.035 0.030 . 1 . . . . 77 ARG HE . 11103 1 884 . 1 1 77 77 ARG HG2 H 1 1.597 0.030 . 2 . . . . 77 ARG HG2 . 11103 1 885 . 1 1 77 77 ARG HG3 H 1 1.468 0.030 . 2 . . . . 77 ARG HG3 . 11103 1 886 . 1 1 77 77 ARG C C 13 174.435 0.300 . 1 . . . . 77 ARG C . 11103 1 887 . 1 1 77 77 ARG CA C 13 55.452 0.300 . 1 . . . . 77 ARG CA . 11103 1 888 . 1 1 77 77 ARG CB C 13 33.914 0.300 . 1 . . . . 77 ARG CB . 11103 1 889 . 1 1 77 77 ARG CD C 13 43.369 0.300 . 1 . . . . 77 ARG CD . 11103 1 890 . 1 1 77 77 ARG CG C 13 27.804 0.300 . 1 . . . . 77 ARG CG . 11103 1 891 . 1 1 77 77 ARG N N 15 118.324 0.300 . 1 . . . . 77 ARG N . 11103 1 892 . 1 1 77 77 ARG NE N 15 83.804 0.300 . 1 . . . . 77 ARG NE . 11103 1 893 . 1 1 78 78 PHE H H 1 8.450 0.030 . 1 . . . . 78 PHE H . 11103 1 894 . 1 1 78 78 PHE HA H 1 5.612 0.030 . 1 . . . . 78 PHE HA . 11103 1 895 . 1 1 78 78 PHE HB2 H 1 2.812 0.030 . 2 . . . . 78 PHE HB2 . 11103 1 896 . 1 1 78 78 PHE HB3 H 1 2.499 0.030 . 2 . . . . 78 PHE HB3 . 11103 1 897 . 1 1 78 78 PHE HD1 H 1 6.650 0.030 . 1 . . . . 78 PHE HD1 . 11103 1 898 . 1 1 78 78 PHE HD2 H 1 6.650 0.030 . 1 . . . . 78 PHE HD2 . 11103 1 899 . 1 1 78 78 PHE HE1 H 1 5.784 0.030 . 1 . . . . 78 PHE HE1 . 11103 1 900 . 1 1 78 78 PHE HE2 H 1 5.784 0.030 . 1 . . . . 78 PHE HE2 . 11103 1 901 . 1 1 78 78 PHE HZ H 1 4.324 0.030 . 1 . . . . 78 PHE HZ . 11103 1 902 . 1 1 78 78 PHE C C 13 174.338 0.300 . 1 . . . . 78 PHE C . 11103 1 903 . 1 1 78 78 PHE CA C 13 57.406 0.300 . 1 . . . . 78 PHE CA . 11103 1 904 . 1 1 78 78 PHE CB C 13 47.030 0.300 . 1 . . . . 78 PHE CB . 11103 1 905 . 1 1 78 78 PHE CD1 C 13 130.337 0.300 . 1 . . . . 78 PHE CD1 . 11103 1 906 . 1 1 78 78 PHE CD2 C 13 130.337 0.300 . 1 . . . . 78 PHE CD2 . 11103 1 907 . 1 1 78 78 PHE CE1 C 13 129.106 0.300 . 1 . . . . 78 PHE CE1 . 11103 1 908 . 1 1 78 78 PHE CE2 C 13 129.106 0.300 . 1 . . . . 78 PHE CE2 . 11103 1 909 . 1 1 78 78 PHE CZ C 13 129.799 0.300 . 1 . . . . 78 PHE CZ . 11103 1 910 . 1 1 78 78 PHE N N 15 125.533 0.300 . 1 . . . . 78 PHE N . 11103 1 911 . 1 1 79 79 LEU H H 1 8.365 0.030 . 1 . . . . 79 LEU H . 11103 1 912 . 1 1 79 79 LEU HA H 1 4.798 0.030 . 1 . . . . 79 LEU HA . 11103 1 913 . 1 1 79 79 LEU HB2 H 1 1.803 0.030 . 2 . . . . 79 LEU HB2 . 11103 1 914 . 1 1 79 79 LEU HB3 H 1 1.553 0.030 . 2 . . . . 79 LEU HB3 . 11103 1 915 . 1 1 79 79 LEU HD11 H 1 0.848 0.030 . 1 . . . . 79 LEU HD1 . 11103 1 916 . 1 1 79 79 LEU HD12 H 1 0.848 0.030 . 1 . . . . 79 LEU HD1 . 11103 1 917 . 1 1 79 79 LEU HD13 H 1 0.848 0.030 . 1 . . . . 79 LEU HD1 . 11103 1 918 . 1 1 79 79 LEU HD21 H 1 0.934 0.030 . 1 . . . . 79 LEU HD2 . 11103 1 919 . 1 1 79 79 LEU HD22 H 1 0.934 0.030 . 1 . . . . 79 LEU HD2 . 11103 1 920 . 1 1 79 79 LEU HD23 H 1 0.934 0.030 . 1 . . . . 79 LEU HD2 . 11103 1 921 . 1 1 79 79 LEU HG H 1 1.752 0.030 . 1 . . . . 79 LEU HG . 11103 1 922 . 1 1 79 79 LEU C C 13 173.337 0.300 . 1 . . . . 79 LEU C . 11103 1 923 . 1 1 79 79 LEU CA C 13 54.964 0.300 . 1 . . . . 79 LEU CA . 11103 1 924 . 1 1 79 79 LEU CB C 13 45.062 0.300 . 1 . . . . 79 LEU CB . 11103 1 925 . 1 1 79 79 LEU CD1 C 13 25.876 0.300 . 2 . . . . 79 LEU CD1 . 11103 1 926 . 1 1 79 79 LEU CD2 C 13 27.720 0.300 . 2 . . . . 79 LEU CD2 . 11103 1 927 . 1 1 79 79 LEU CG C 13 25.884 0.300 . 1 . . . . 79 LEU CG . 11103 1 928 . 1 1 79 79 LEU N N 15 123.463 0.300 . 1 . . . . 79 LEU N . 11103 1 929 . 1 1 80 80 ALA H H 1 9.250 0.030 . 1 . . . . 80 ALA H . 11103 1 930 . 1 1 80 80 ALA HA H 1 4.867 0.030 . 1 . . . . 80 ALA HA . 11103 1 931 . 1 1 80 80 ALA HB1 H 1 1.260 0.030 . 1 . . . . 80 ALA HB . 11103 1 932 . 1 1 80 80 ALA HB2 H 1 1.260 0.030 . 1 . . . . 80 ALA HB . 11103 1 933 . 1 1 80 80 ALA HB3 H 1 1.260 0.030 . 1 . . . . 80 ALA HB . 11103 1 934 . 1 1 80 80 ALA C C 13 175.462 0.300 . 1 . . . . 80 ALA C . 11103 1 935 . 1 1 80 80 ALA CA C 13 49.815 0.300 . 1 . . . . 80 ALA CA . 11103 1 936 . 1 1 80 80 ALA CB C 13 22.638 0.300 . 1 . . . . 80 ALA CB . 11103 1 937 . 1 1 80 80 ALA N N 15 123.356 0.300 . 1 . . . . 80 ALA N . 11103 1 938 . 1 1 81 81 TYR H H 1 8.018 0.030 . 1 . . . . 81 TYR H . 11103 1 939 . 1 1 81 81 TYR HA H 1 5.041 0.030 . 1 . . . . 81 TYR HA . 11103 1 940 . 1 1 81 81 TYR HB2 H 1 2.849 0.030 . 2 . . . . 81 TYR HB2 . 11103 1 941 . 1 1 81 81 TYR HB3 H 1 2.517 0.030 . 2 . . . . 81 TYR HB3 . 11103 1 942 . 1 1 81 81 TYR HD1 H 1 6.481 0.030 . 1 . . . . 81 TYR HD1 . 11103 1 943 . 1 1 81 81 TYR HD2 H 1 6.481 0.030 . 1 . . . . 81 TYR HD2 . 11103 1 944 . 1 1 81 81 TYR HE1 H 1 6.412 0.030 . 1 . . . . 81 TYR HE1 . 11103 1 945 . 1 1 81 81 TYR HE2 H 1 6.412 0.030 . 1 . . . . 81 TYR HE2 . 11103 1 946 . 1 1 81 81 TYR C C 13 173.878 0.300 . 1 . . . . 81 TYR C . 11103 1 947 . 1 1 81 81 TYR CA C 13 56.091 0.300 . 1 . . . . 81 TYR CA . 11103 1 948 . 1 1 81 81 TYR CB C 13 42.241 0.300 . 1 . . . . 81 TYR CB . 11103 1 949 . 1 1 81 81 TYR CD1 C 13 133.168 0.300 . 1 . . . . 81 TYR CD1 . 11103 1 950 . 1 1 81 81 TYR CD2 C 13 133.168 0.300 . 1 . . . . 81 TYR CD2 . 11103 1 951 . 1 1 81 81 TYR CE1 C 13 117.871 0.300 . 1 . . . . 81 TYR CE1 . 11103 1 952 . 1 1 81 81 TYR CE2 C 13 117.871 0.300 . 1 . . . . 81 TYR CE2 . 11103 1 953 . 1 1 81 81 TYR N N 15 113.824 0.300 . 1 . . . . 81 TYR N . 11103 1 954 . 1 1 82 82 ASN H H 1 8.424 0.030 . 1 . . . . 82 ASN H . 11103 1 955 . 1 1 82 82 ASN HA H 1 4.617 0.030 . 1 . . . . 82 ASN HA . 11103 1 956 . 1 1 82 82 ASN HB2 H 1 2.749 0.030 . 2 . . . . 82 ASN HB2 . 11103 1 957 . 1 1 82 82 ASN HB3 H 1 3.488 0.030 . 2 . . . . 82 ASN HB3 . 11103 1 958 . 1 1 82 82 ASN HD21 H 1 7.714 0.030 . 2 . . . . 82 ASN HD21 . 11103 1 959 . 1 1 82 82 ASN HD22 H 1 7.647 0.030 . 2 . . . . 82 ASN HD22 . 11103 1 960 . 1 1 82 82 ASN C C 13 175.798 0.300 . 1 . . . . 82 ASN C . 11103 1 961 . 1 1 82 82 ASN CA C 13 51.436 0.300 . 1 . . . . 82 ASN CA . 11103 1 962 . 1 1 82 82 ASN CB C 13 40.248 0.300 . 1 . . . . 82 ASN CB . 11103 1 963 . 1 1 82 82 ASN N N 15 120.427 0.300 . 1 . . . . 82 ASN N . 11103 1 964 . 1 1 82 82 ASN ND2 N 15 109.924 0.300 . 1 . . . . 82 ASN ND2 . 11103 1 965 . 1 1 83 83 ARG H H 1 8.519 0.030 . 1 . . . . 83 ARG H . 11103 1 966 . 1 1 83 83 ARG HA H 1 4.036 0.030 . 1 . . . . 83 ARG HA . 11103 1 967 . 1 1 83 83 ARG HB2 H 1 1.636 0.030 . 2 . . . . 83 ARG HB2 . 11103 1 968 . 1 1 83 83 ARG HB3 H 1 1.449 0.030 . 2 . . . . 83 ARG HB3 . 11103 1 969 . 1 1 83 83 ARG HD2 H 1 2.900 0.030 . 1 . . . . 83 ARG HD2 . 11103 1 970 . 1 1 83 83 ARG HD3 H 1 2.900 0.030 . 1 . . . . 83 ARG HD3 . 11103 1 971 . 1 1 83 83 ARG HG2 H 1 1.160 0.030 . 2 . . . . 83 ARG HG2 . 11103 1 972 . 1 1 83 83 ARG HG3 H 1 0.578 0.030 . 2 . . . . 83 ARG HG3 . 11103 1 973 . 1 1 83 83 ARG C C 13 176.471 0.300 . 1 . . . . 83 ARG C . 11103 1 974 . 1 1 83 83 ARG CA C 13 58.349 0.300 . 1 . . . . 83 ARG CA . 11103 1 975 . 1 1 83 83 ARG CB C 13 29.116 0.300 . 1 . . . . 83 ARG CB . 11103 1 976 . 1 1 83 83 ARG CD C 13 43.319 0.300 . 1 . . . . 83 ARG CD . 11103 1 977 . 1 1 83 83 ARG CG C 13 25.666 0.300 . 1 . . . . 83 ARG CG . 11103 1 978 . 1 1 83 83 ARG N N 15 116.224 0.300 . 1 . . . . 83 ARG N . 11103 1 979 . 1 1 84 84 TYR H H 1 7.890 0.030 . 1 . . . . 84 TYR H . 11103 1 980 . 1 1 84 84 TYR HA H 1 4.475 0.030 . 1 . . . . 84 TYR HA . 11103 1 981 . 1 1 84 84 TYR HB2 H 1 3.119 0.030 . 2 . . . . 84 TYR HB2 . 11103 1 982 . 1 1 84 84 TYR HB3 H 1 2.772 0.030 . 2 . . . . 84 TYR HB3 . 11103 1 983 . 1 1 84 84 TYR HD1 H 1 7.094 0.030 . 1 . . . . 84 TYR HD1 . 11103 1 984 . 1 1 84 84 TYR HD2 H 1 7.094 0.030 . 1 . . . . 84 TYR HD2 . 11103 1 985 . 1 1 84 84 TYR HE1 H 1 6.797 0.030 . 1 . . . . 84 TYR HE1 . 11103 1 986 . 1 1 84 84 TYR HE2 H 1 6.797 0.030 . 1 . . . . 84 TYR HE2 . 11103 1 987 . 1 1 84 84 TYR C C 13 176.114 0.300 . 1 . . . . 84 TYR C . 11103 1 988 . 1 1 84 84 TYR CA C 13 58.712 0.300 . 1 . . . . 84 TYR CA . 11103 1 989 . 1 1 84 84 TYR CB C 13 37.915 0.300 . 1 . . . . 84 TYR CB . 11103 1 990 . 1 1 84 84 TYR CD1 C 13 133.024 0.300 . 1 . . . . 84 TYR CD1 . 11103 1 991 . 1 1 84 84 TYR CD2 C 13 133.024 0.300 . 1 . . . . 84 TYR CD2 . 11103 1 992 . 1 1 84 84 TYR CE1 C 13 118.229 0.300 . 1 . . . . 84 TYR CE1 . 11103 1 993 . 1 1 84 84 TYR CE2 C 13 118.229 0.300 . 1 . . . . 84 TYR CE2 . 11103 1 994 . 1 1 84 84 TYR N N 15 118.741 0.300 . 1 . . . . 84 TYR N . 11103 1 995 . 1 1 85 85 GLY H H 1 7.944 0.030 . 1 . . . . 85 GLY H . 11103 1 996 . 1 1 85 85 GLY HA2 H 1 4.661 0.030 . 2 . . . . 85 GLY HA2 . 11103 1 997 . 1 1 85 85 GLY HA3 H 1 3.937 0.030 . 2 . . . . 85 GLY HA3 . 11103 1 998 . 1 1 85 85 GLY C C 13 170.484 0.300 . 1 . . . . 85 GLY C . 11103 1 999 . 1 1 85 85 GLY CA C 13 44.898 0.300 . 1 . . . . 85 GLY CA . 11103 1 1000 . 1 1 85 85 GLY N N 15 108.072 0.300 . 1 . . . . 85 GLY N . 11103 1 1001 . 1 1 86 86 PRO HA H 1 4.469 0.030 . 1 . . . . 86 PRO HA . 11103 1 1002 . 1 1 86 86 PRO HB2 H 1 2.121 0.030 . 1 . . . . 86 PRO HB2 . 11103 1 1003 . 1 1 86 86 PRO HB3 H 1 2.121 0.030 . 1 . . . . 86 PRO HB3 . 11103 1 1004 . 1 1 86 86 PRO HD2 H 1 3.769 0.030 . 2 . . . . 86 PRO HD2 . 11103 1 1005 . 1 1 86 86 PRO HD3 H 1 3.573 0.030 . 2 . . . . 86 PRO HD3 . 11103 1 1006 . 1 1 86 86 PRO HG2 H 1 2.129 0.030 . 2 . . . . 86 PRO HG2 . 11103 1 1007 . 1 1 86 86 PRO HG3 H 1 2.006 0.030 . 2 . . . . 86 PRO HG3 . 11103 1 1008 . 1 1 86 86 PRO C C 13 177.772 0.300 . 1 . . . . 86 PRO C . 11103 1 1009 . 1 1 86 86 PRO CA C 13 62.489 0.300 . 1 . . . . 86 PRO CA . 11103 1 1010 . 1 1 86 86 PRO CB C 13 33.107 0.300 . 1 . . . . 86 PRO CB . 11103 1 1011 . 1 1 86 86 PRO CD C 13 49.813 0.300 . 1 . . . . 86 PRO CD . 11103 1 1012 . 1 1 86 86 PRO CG C 13 26.746 0.300 . 1 . . . . 86 PRO CG . 11103 1 1013 . 1 1 87 87 GLY H H 1 8.770 0.030 . 1 . . . . 87 GLY H . 11103 1 1014 . 1 1 87 87 GLY HA2 H 1 4.382 0.030 . 2 . . . . 87 GLY HA2 . 11103 1 1015 . 1 1 87 87 GLY HA3 H 1 4.060 0.030 . 2 . . . . 87 GLY HA3 . 11103 1 1016 . 1 1 87 87 GLY C C 13 172.737 0.300 . 1 . . . . 87 GLY C . 11103 1 1017 . 1 1 87 87 GLY CA C 13 44.326 0.300 . 1 . . . . 87 GLY CA . 11103 1 1018 . 1 1 87 87 GLY N N 15 110.709 0.300 . 1 . . . . 87 GLY N . 11103 1 1019 . 1 1 88 88 VAL H H 1 7.379 0.030 . 1 . . . . 88 VAL H . 11103 1 1020 . 1 1 88 88 VAL HA H 1 3.850 0.030 . 1 . . . . 88 VAL HA . 11103 1 1021 . 1 1 88 88 VAL HB H 1 1.642 0.030 . 1 . . . . 88 VAL HB . 11103 1 1022 . 1 1 88 88 VAL HG11 H 1 1.060 0.030 . 1 . . . . 88 VAL HG1 . 11103 1 1023 . 1 1 88 88 VAL HG12 H 1 1.060 0.030 . 1 . . . . 88 VAL HG1 . 11103 1 1024 . 1 1 88 88 VAL HG13 H 1 1.060 0.030 . 1 . . . . 88 VAL HG1 . 11103 1 1025 . 1 1 88 88 VAL HG21 H 1 1.131 0.030 . 1 . . . . 88 VAL HG2 . 11103 1 1026 . 1 1 88 88 VAL HG22 H 1 1.131 0.030 . 1 . . . . 88 VAL HG2 . 11103 1 1027 . 1 1 88 88 VAL HG23 H 1 1.131 0.030 . 1 . . . . 88 VAL HG2 . 11103 1 1028 . 1 1 88 88 VAL C C 13 177.271 0.300 . 1 . . . . 88 VAL C . 11103 1 1029 . 1 1 88 88 VAL CA C 13 62.805 0.300 . 1 . . . . 88 VAL CA . 11103 1 1030 . 1 1 88 88 VAL CB C 13 33.112 0.300 . 1 . . . . 88 VAL CB . 11103 1 1031 . 1 1 88 88 VAL CG1 C 13 21.229 0.300 . 2 . . . . 88 VAL CG1 . 11103 1 1032 . 1 1 88 88 VAL CG2 C 13 21.526 0.300 . 2 . . . . 88 VAL CG2 . 11103 1 1033 . 1 1 88 88 VAL N N 15 117.643 0.300 . 1 . . . . 88 VAL N . 11103 1 1034 . 1 1 89 89 SER H H 1 8.799 0.030 . 1 . . . . 89 SER H . 11103 1 1035 . 1 1 89 89 SER HA H 1 4.848 0.030 . 1 . . . . 89 SER HA . 11103 1 1036 . 1 1 89 89 SER HB2 H 1 3.786 0.030 . 1 . . . . 89 SER HB2 . 11103 1 1037 . 1 1 89 89 SER HB3 H 1 3.786 0.030 . 1 . . . . 89 SER HB3 . 11103 1 1038 . 1 1 89 89 SER C C 13 175.843 0.300 . 1 . . . . 89 SER C . 11103 1 1039 . 1 1 89 89 SER CA C 13 58.387 0.300 . 1 . . . . 89 SER CA . 11103 1 1040 . 1 1 89 89 SER CB C 13 64.489 0.300 . 1 . . . . 89 SER CB . 11103 1 1041 . 1 1 89 89 SER N N 15 123.073 0.300 . 1 . . . . 89 SER N . 11103 1 1042 . 1 1 90 90 THR H H 1 8.641 0.030 . 1 . . . . 90 THR H . 11103 1 1043 . 1 1 90 90 THR HA H 1 4.478 0.030 . 1 . . . . 90 THR HA . 11103 1 1044 . 1 1 90 90 THR HB H 1 4.492 0.030 . 1 . . . . 90 THR HB . 11103 1 1045 . 1 1 90 90 THR HG21 H 1 1.466 0.030 . 1 . . . . 90 THR HG2 . 11103 1 1046 . 1 1 90 90 THR HG22 H 1 1.466 0.030 . 1 . . . . 90 THR HG2 . 11103 1 1047 . 1 1 90 90 THR HG23 H 1 1.466 0.030 . 1 . . . . 90 THR HG2 . 11103 1 1048 . 1 1 90 90 THR C C 13 174.988 0.300 . 1 . . . . 90 THR C . 11103 1 1049 . 1 1 90 90 THR CA C 13 63.053 0.300 . 1 . . . . 90 THR CA . 11103 1 1050 . 1 1 90 90 THR CB C 13 70.645 0.300 . 1 . . . . 90 THR CB . 11103 1 1051 . 1 1 90 90 THR CG2 C 13 22.327 0.300 . 1 . . . . 90 THR CG2 . 11103 1 1052 . 1 1 90 90 THR N N 15 117.705 0.300 . 1 . . . . 90 THR N . 11103 1 1053 . 1 1 91 91 ASP H H 1 8.504 0.030 . 1 . . . . 91 ASP H . 11103 1 1054 . 1 1 91 91 ASP HA H 1 4.779 0.030 . 1 . . . . 91 ASP HA . 11103 1 1055 . 1 1 91 91 ASP HB2 H 1 2.754 0.030 . 2 . . . . 91 ASP HB2 . 11103 1 1056 . 1 1 91 91 ASP HB3 H 1 2.537 0.030 . 2 . . . . 91 ASP HB3 . 11103 1 1057 . 1 1 91 91 ASP C C 13 175.500 0.300 . 1 . . . . 91 ASP C . 11103 1 1058 . 1 1 91 91 ASP CA C 13 54.434 0.300 . 1 . . . . 91 ASP CA . 11103 1 1059 . 1 1 91 91 ASP CB C 13 41.972 0.300 . 1 . . . . 91 ASP CB . 11103 1 1060 . 1 1 91 91 ASP N N 15 122.479 0.300 . 1 . . . . 91 ASP N . 11103 1 1061 . 1 1 92 92 ASP H H 1 8.414 0.030 . 1 . . . . 92 ASP H . 11103 1 1062 . 1 1 92 92 ASP HA H 1 4.593 0.030 . 1 . . . . 92 ASP HA . 11103 1 1063 . 1 1 92 92 ASP HB2 H 1 2.537 0.030 . 2 . . . . 92 ASP HB2 . 11103 1 1064 . 1 1 92 92 ASP HB3 H 1 2.495 0.030 . 2 . . . . 92 ASP HB3 . 11103 1 1065 . 1 1 92 92 ASP C C 13 176.193 0.300 . 1 . . . . 92 ASP C . 11103 1 1066 . 1 1 92 92 ASP CA C 13 55.035 0.300 . 1 . . . . 92 ASP CA . 11103 1 1067 . 1 1 92 92 ASP CB C 13 40.495 0.300 . 1 . . . . 92 ASP CB . 11103 1 1068 . 1 1 92 92 ASP N N 15 119.111 0.300 . 1 . . . . 92 ASP N . 11103 1 1069 . 1 1 93 93 ILE H H 1 8.752 0.030 . 1 . . . . 93 ILE H . 11103 1 1070 . 1 1 93 93 ILE HA H 1 4.417 0.030 . 1 . . . . 93 ILE HA . 11103 1 1071 . 1 1 93 93 ILE HB H 1 1.858 0.030 . 1 . . . . 93 ILE HB . 11103 1 1072 . 1 1 93 93 ILE HD11 H 1 0.760 0.030 . 1 . . . . 93 ILE HD1 . 11103 1 1073 . 1 1 93 93 ILE HD12 H 1 0.760 0.030 . 1 . . . . 93 ILE HD1 . 11103 1 1074 . 1 1 93 93 ILE HD13 H 1 0.760 0.030 . 1 . . . . 93 ILE HD1 . 11103 1 1075 . 1 1 93 93 ILE HG12 H 1 1.485 0.030 . 2 . . . . 93 ILE HG12 . 11103 1 1076 . 1 1 93 93 ILE HG13 H 1 1.124 0.030 . 2 . . . . 93 ILE HG13 . 11103 1 1077 . 1 1 93 93 ILE HG21 H 1 0.864 0.030 . 1 . . . . 93 ILE HG2 . 11103 1 1078 . 1 1 93 93 ILE HG22 H 1 0.864 0.030 . 1 . . . . 93 ILE HG2 . 11103 1 1079 . 1 1 93 93 ILE HG23 H 1 0.864 0.030 . 1 . . . . 93 ILE HG2 . 11103 1 1080 . 1 1 93 93 ILE C C 13 175.488 0.300 . 1 . . . . 93 ILE C . 11103 1 1081 . 1 1 93 93 ILE CA C 13 60.226 0.300 . 1 . . . . 93 ILE CA . 11103 1 1082 . 1 1 93 93 ILE CB C 13 39.973 0.300 . 1 . . . . 93 ILE CB . 11103 1 1083 . 1 1 93 93 ILE CD1 C 13 13.513 0.300 . 1 . . . . 93 ILE CD1 . 11103 1 1084 . 1 1 93 93 ILE CG1 C 13 26.740 0.300 . 1 . . . . 93 ILE CG1 . 11103 1 1085 . 1 1 93 93 ILE CG2 C 13 17.420 0.300 . 1 . . . . 93 ILE CG2 . 11103 1 1086 . 1 1 93 93 ILE N N 15 121.917 0.300 . 1 . . . . 93 ILE N . 11103 1 1087 . 1 1 94 94 THR H H 1 8.565 0.030 . 1 . . . . 94 THR H . 11103 1 1088 . 1 1 94 94 THR HA H 1 5.279 0.030 . 1 . . . . 94 THR HA . 11103 1 1089 . 1 1 94 94 THR HB H 1 4.013 0.030 . 1 . . . . 94 THR HB . 11103 1 1090 . 1 1 94 94 THR HG21 H 1 1.138 0.030 . 1 . . . . 94 THR HG2 . 11103 1 1091 . 1 1 94 94 THR HG22 H 1 1.138 0.030 . 1 . . . . 94 THR HG2 . 11103 1 1092 . 1 1 94 94 THR HG23 H 1 1.138 0.030 . 1 . . . . 94 THR HG2 . 11103 1 1093 . 1 1 94 94 THR C C 13 174.555 0.300 . 1 . . . . 94 THR C . 11103 1 1094 . 1 1 94 94 THR CA C 13 61.754 0.300 . 1 . . . . 94 THR CA . 11103 1 1095 . 1 1 94 94 THR CB C 13 70.136 0.300 . 1 . . . . 94 THR CB . 11103 1 1096 . 1 1 94 94 THR CG2 C 13 21.822 0.300 . 1 . . . . 94 THR CG2 . 11103 1 1097 . 1 1 94 94 THR N N 15 121.833 0.300 . 1 . . . . 94 THR N . 11103 1 1098 . 1 1 95 95 VAL H H 1 9.189 0.030 . 1 . . . . 95 VAL H . 11103 1 1099 . 1 1 95 95 VAL HA H 1 4.351 0.030 . 1 . . . . 95 VAL HA . 11103 1 1100 . 1 1 95 95 VAL HB H 1 1.858 0.030 . 1 . . . . 95 VAL HB . 11103 1 1101 . 1 1 95 95 VAL HG11 H 1 0.815 0.030 . 1 . . . . 95 VAL HG1 . 11103 1 1102 . 1 1 95 95 VAL HG12 H 1 0.815 0.030 . 1 . . . . 95 VAL HG1 . 11103 1 1103 . 1 1 95 95 VAL HG13 H 1 0.815 0.030 . 1 . . . . 95 VAL HG1 . 11103 1 1104 . 1 1 95 95 VAL HG21 H 1 0.815 0.030 . 1 . . . . 95 VAL HG2 . 11103 1 1105 . 1 1 95 95 VAL HG22 H 1 0.815 0.030 . 1 . . . . 95 VAL HG2 . 11103 1 1106 . 1 1 95 95 VAL HG23 H 1 0.815 0.030 . 1 . . . . 95 VAL HG2 . 11103 1 1107 . 1 1 95 95 VAL C C 13 172.927 0.300 . 1 . . . . 95 VAL C . 11103 1 1108 . 1 1 95 95 VAL CA C 13 61.096 0.300 . 1 . . . . 95 VAL CA . 11103 1 1109 . 1 1 95 95 VAL CB C 13 36.331 0.300 . 1 . . . . 95 VAL CB . 11103 1 1110 . 1 1 95 95 VAL CG1 C 13 22.026 0.300 . 1 . . . . 95 VAL CG1 . 11103 1 1111 . 1 1 95 95 VAL CG2 C 13 22.026 0.300 . 1 . . . . 95 VAL CG2 . 11103 1 1112 . 1 1 95 95 VAL N N 15 126.727 0.300 . 1 . . . . 95 VAL N . 11103 1 1113 . 1 1 96 96 VAL H H 1 8.382 0.030 . 1 . . . . 96 VAL H . 11103 1 1114 . 1 1 96 96 VAL HA H 1 4.954 0.030 . 1 . . . . 96 VAL HA . 11103 1 1115 . 1 1 96 96 VAL HB H 1 1.843 0.030 . 1 . . . . 96 VAL HB . 11103 1 1116 . 1 1 96 96 VAL HG11 H 1 0.737 0.030 . 1 . . . . 96 VAL HG1 . 11103 1 1117 . 1 1 96 96 VAL HG12 H 1 0.737 0.030 . 1 . . . . 96 VAL HG1 . 11103 1 1118 . 1 1 96 96 VAL HG13 H 1 0.737 0.030 . 1 . . . . 96 VAL HG1 . 11103 1 1119 . 1 1 96 96 VAL HG21 H 1 0.795 0.030 . 1 . . . . 96 VAL HG2 . 11103 1 1120 . 1 1 96 96 VAL HG22 H 1 0.795 0.030 . 1 . . . . 96 VAL HG2 . 11103 1 1121 . 1 1 96 96 VAL HG23 H 1 0.795 0.030 . 1 . . . . 96 VAL HG2 . 11103 1 1122 . 1 1 96 96 VAL C C 13 177.269 0.300 . 1 . . . . 96 VAL C . 11103 1 1123 . 1 1 96 96 VAL CA C 13 59.947 0.300 . 1 . . . . 96 VAL CA . 11103 1 1124 . 1 1 96 96 VAL CB C 13 32.752 0.300 . 1 . . . . 96 VAL CB . 11103 1 1125 . 1 1 96 96 VAL CG1 C 13 20.629 0.300 . 2 . . . . 96 VAL CG1 . 11103 1 1126 . 1 1 96 96 VAL CG2 C 13 21.293 0.300 . 2 . . . . 96 VAL CG2 . 11103 1 1127 . 1 1 96 96 VAL N N 15 127.317 0.300 . 1 . . . . 96 VAL N . 11103 1 1128 . 1 1 97 97 THR H H 1 8.800 0.030 . 1 . . . . 97 THR H . 11103 1 1129 . 1 1 97 97 THR HA H 1 4.577 0.030 . 1 . . . . 97 THR HA . 11103 1 1130 . 1 1 97 97 THR HB H 1 4.767 0.030 . 1 . . . . 97 THR HB . 11103 1 1131 . 1 1 97 97 THR HG21 H 1 1.248 0.030 . 1 . . . . 97 THR HG2 . 11103 1 1132 . 1 1 97 97 THR HG22 H 1 1.248 0.030 . 1 . . . . 97 THR HG2 . 11103 1 1133 . 1 1 97 97 THR HG23 H 1 1.248 0.030 . 1 . . . . 97 THR HG2 . 11103 1 1134 . 1 1 97 97 THR C C 13 176.101 0.300 . 1 . . . . 97 THR C . 11103 1 1135 . 1 1 97 97 THR CA C 13 61.305 0.300 . 1 . . . . 97 THR CA . 11103 1 1136 . 1 1 97 97 THR CB C 13 69.933 0.300 . 1 . . . . 97 THR CB . 11103 1 1137 . 1 1 97 97 THR CG2 C 13 24.269 0.300 . 1 . . . . 97 THR CG2 . 11103 1 1138 . 1 1 97 97 THR N N 15 117.580 0.300 . 1 . . . . 97 THR N . 11103 1 1139 . 1 1 98 98 LEU H H 1 7.039 0.030 . 1 . . . . 98 LEU H . 11103 1 1140 . 1 1 98 98 LEU HA H 1 4.282 0.030 . 1 . . . . 98 LEU HA . 11103 1 1141 . 1 1 98 98 LEU HB2 H 1 1.678 0.030 . 2 . . . . 98 LEU HB2 . 11103 1 1142 . 1 1 98 98 LEU HB3 H 1 1.099 0.030 . 2 . . . . 98 LEU HB3 . 11103 1 1143 . 1 1 98 98 LEU HD11 H 1 0.680 0.030 . 1 . . . . 98 LEU HD1 . 11103 1 1144 . 1 1 98 98 LEU HD12 H 1 0.680 0.030 . 1 . . . . 98 LEU HD1 . 11103 1 1145 . 1 1 98 98 LEU HD13 H 1 0.680 0.030 . 1 . . . . 98 LEU HD1 . 11103 1 1146 . 1 1 98 98 LEU HD21 H 1 0.927 0.030 . 1 . . . . 98 LEU HD2 . 11103 1 1147 . 1 1 98 98 LEU HD22 H 1 0.927 0.030 . 1 . . . . 98 LEU HD2 . 11103 1 1148 . 1 1 98 98 LEU HD23 H 1 0.927 0.030 . 1 . . . . 98 LEU HD2 . 11103 1 1149 . 1 1 98 98 LEU HG H 1 1.647 0.030 . 1 . . . . 98 LEU HG . 11103 1 1150 . 1 1 98 98 LEU C C 13 176.481 0.300 . 1 . . . . 98 LEU C . 11103 1 1151 . 1 1 98 98 LEU CA C 13 55.441 0.300 . 1 . . . . 98 LEU CA . 11103 1 1152 . 1 1 98 98 LEU CB C 13 42.388 0.300 . 1 . . . . 98 LEU CB . 11103 1 1153 . 1 1 98 98 LEU CD1 C 13 25.542 0.300 . 2 . . . . 98 LEU CD1 . 11103 1 1154 . 1 1 98 98 LEU CD2 C 13 21.592 0.300 . 2 . . . . 98 LEU CD2 . 11103 1 1155 . 1 1 98 98 LEU CG C 13 26.235 0.300 . 1 . . . . 98 LEU CG . 11103 1 1156 . 1 1 98 98 LEU N N 15 114.977 0.300 . 1 . . . . 98 LEU N . 11103 1 1157 . 1 1 99 99 SER H H 1 8.008 0.030 . 1 . . . . 99 SER H . 11103 1 1158 . 1 1 99 99 SER HA H 1 4.492 0.030 . 1 . . . . 99 SER HA . 11103 1 1159 . 1 1 99 99 SER HB2 H 1 3.533 0.030 . 2 . . . . 99 SER HB2 . 11103 1 1160 . 1 1 99 99 SER HB3 H 1 3.409 0.030 . 2 . . . . 99 SER HB3 . 11103 1 1161 . 1 1 99 99 SER C C 13 174.709 0.300 . 1 . . . . 99 SER C . 11103 1 1162 . 1 1 99 99 SER CA C 13 57.494 0.300 . 1 . . . . 99 SER CA . 11103 1 1163 . 1 1 99 99 SER CB C 13 64.272 0.300 . 1 . . . . 99 SER CB . 11103 1 1164 . 1 1 99 99 SER N N 15 110.757 0.300 . 1 . . . . 99 SER N . 11103 1 1165 . 1 1 100 100 ASP H H 1 8.245 0.030 . 1 . . . . 100 ASP H . 11103 1 1166 . 1 1 100 100 ASP HA H 1 4.665 0.030 . 1 . . . . 100 ASP HA . 11103 1 1167 . 1 1 100 100 ASP HB2 H 1 2.652 0.030 . 1 . . . . 100 ASP HB2 . 11103 1 1168 . 1 1 100 100 ASP HB3 H 1 2.652 0.030 . 1 . . . . 100 ASP HB3 . 11103 1 1169 . 1 1 100 100 ASP C C 13 175.981 0.300 . 1 . . . . 100 ASP C . 11103 1 1170 . 1 1 100 100 ASP CA C 13 53.966 0.300 . 1 . . . . 100 ASP CA . 11103 1 1171 . 1 1 100 100 ASP CB C 13 42.026 0.300 . 1 . . . . 100 ASP CB . 11103 1 1172 . 1 1 100 100 ASP N N 15 120.531 0.300 . 1 . . . . 100 ASP N . 11103 1 1173 . 1 1 101 101 SER H H 1 8.329 0.030 . 1 . . . . 101 SER H . 11103 1 1174 . 1 1 101 101 SER HA H 1 4.457 0.030 . 1 . . . . 101 SER HA . 11103 1 1175 . 1 1 101 101 SER HB2 H 1 3.860 0.030 . 1 . . . . 101 SER HB2 . 11103 1 1176 . 1 1 101 101 SER HB3 H 1 3.860 0.030 . 1 . . . . 101 SER HB3 . 11103 1 1177 . 1 1 101 101 SER C C 13 174.620 0.300 . 1 . . . . 101 SER C . 11103 1 1178 . 1 1 101 101 SER CA C 13 58.418 0.300 . 1 . . . . 101 SER CA . 11103 1 1179 . 1 1 101 101 SER CB C 13 63.935 0.300 . 1 . . . . 101 SER CB . 11103 1 1180 . 1 1 101 101 SER N N 15 115.744 0.300 . 1 . . . . 101 SER N . 11103 1 1181 . 1 1 102 102 GLY H H 1 8.289 0.030 . 1 . . . . 102 GLY H . 11103 1 1182 . 1 1 102 102 GLY HA2 H 1 4.085 0.030 . 1 . . . . 102 GLY HA2 . 11103 1 1183 . 1 1 102 102 GLY HA3 H 1 4.085 0.030 . 1 . . . . 102 GLY HA3 . 11103 1 1184 . 1 1 102 102 GLY C C 13 171.854 0.300 . 1 . . . . 102 GLY C . 11103 1 1185 . 1 1 102 102 GLY CA C 13 44.649 0.300 . 1 . . . . 102 GLY CA . 11103 1 1186 . 1 1 102 102 GLY N N 15 110.773 0.300 . 1 . . . . 102 GLY N . 11103 1 1187 . 1 1 103 103 PRO HA H 1 4.457 0.030 . 1 . . . . 103 PRO HA . 11103 1 1188 . 1 1 103 103 PRO HB2 H 1 2.277 0.030 . 2 . . . . 103 PRO HB2 . 11103 1 1189 . 1 1 103 103 PRO HB3 H 1 1.958 0.030 . 2 . . . . 103 PRO HB3 . 11103 1 1190 . 1 1 103 103 PRO HD2 H 1 3.608 0.030 . 1 . . . . 103 PRO HD2 . 11103 1 1191 . 1 1 103 103 PRO HD3 H 1 3.608 0.030 . 1 . . . . 103 PRO HD3 . 11103 1 1192 . 1 1 103 103 PRO HG2 H 1 2.010 0.030 . 1 . . . . 103 PRO HG2 . 11103 1 1193 . 1 1 103 103 PRO HG3 H 1 2.010 0.030 . 1 . . . . 103 PRO HG3 . 11103 1 1194 . 1 1 103 103 PRO C C 13 177.400 0.300 . 1 . . . . 103 PRO C . 11103 1 1195 . 1 1 103 103 PRO CA C 13 63.352 0.300 . 1 . . . . 103 PRO CA . 11103 1 1196 . 1 1 103 103 PRO CB C 13 32.177 0.300 . 1 . . . . 103 PRO CB . 11103 1 1197 . 1 1 103 103 PRO CD C 13 49.785 0.300 . 1 . . . . 103 PRO CD . 11103 1 1198 . 1 1 103 103 PRO CG C 13 27.193 0.300 . 1 . . . . 103 PRO CG . 11103 1 1199 . 1 1 104 104 SER H H 1 8.517 0.030 . 1 . . . . 104 SER H . 11103 1 1200 . 1 1 104 104 SER C C 13 174.660 0.300 . 1 . . . . 104 SER C . 11103 1 1201 . 1 1 104 104 SER CA C 13 58.356 0.300 . 1 . . . . 104 SER CA . 11103 1 1202 . 1 1 104 104 SER CB C 13 64.002 0.300 . 1 . . . . 104 SER CB . 11103 1 1203 . 1 1 104 104 SER N N 15 116.452 0.300 . 1 . . . . 104 SER N . 11103 1 stop_ save_