data_11191 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11191 _Entry.Title ; Solution structure of the eighth PDZ domain of human InaD-like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _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 K. Inoue . . . 11191 2 T. Nagashima . . . 11191 3 F. Hayashi . . . 11191 4 S. Yokoyama . . . 11191 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)' . 11191 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11191 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 11191 '15N chemical shifts' 106 11191 '1H chemical shifts' 746 11191 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 . . 2011-07-20 2010-07-21 original author . 11191 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DM8 'BMRB Entry Tracking System' 11191 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11191 _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 eighth PDZ domain of human InaD-like protein' _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 K. Inoue . . . 11191 1 2 T. Nagashima . . . 11191 1 3 F. Hayashi . . . 11191 1 4 S. Yokoyama . . . 11191 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11191 _Assembly.ID 1 _Assembly.Name 'InaD-like protein' _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 'PDZ domain' 1 $entity_1 A . yes native no no . . . 11191 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 2dm8 . . . . . . 11191 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11191 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPATCPIVPGQEMI IEISKGRSGLGLSIVGGKDT PLNAIVIHEVYEEGAAARDG RLWAGDQILEVNGVDLRNSS HEEAITALRQTPQKVRLVVY RDEAHYRDEESGPSSG ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DM8 . "Solution Structure Of The Eighth Pdz Domain Of Human Inad- Like Protein" . . . . . 100.00 116 100.00 100.00 2.51e-76 . . . . 11191 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11191 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 . 11191 1 2 . SER . 11191 1 3 . SER . 11191 1 4 . GLY . 11191 1 5 . SER . 11191 1 6 . SER . 11191 1 7 . GLY . 11191 1 8 . PRO . 11191 1 9 . ALA . 11191 1 10 . THR . 11191 1 11 . CYS . 11191 1 12 . PRO . 11191 1 13 . ILE . 11191 1 14 . VAL . 11191 1 15 . PRO . 11191 1 16 . GLY . 11191 1 17 . GLN . 11191 1 18 . GLU . 11191 1 19 . MET . 11191 1 20 . ILE . 11191 1 21 . ILE . 11191 1 22 . GLU . 11191 1 23 . ILE . 11191 1 24 . SER . 11191 1 25 . LYS . 11191 1 26 . GLY . 11191 1 27 . ARG . 11191 1 28 . SER . 11191 1 29 . GLY . 11191 1 30 . LEU . 11191 1 31 . GLY . 11191 1 32 . LEU . 11191 1 33 . SER . 11191 1 34 . ILE . 11191 1 35 . VAL . 11191 1 36 . GLY . 11191 1 37 . GLY . 11191 1 38 . LYS . 11191 1 39 . ASP . 11191 1 40 . THR . 11191 1 41 . PRO . 11191 1 42 . LEU . 11191 1 43 . ASN . 11191 1 44 . ALA . 11191 1 45 . ILE . 11191 1 46 . VAL . 11191 1 47 . ILE . 11191 1 48 . HIS . 11191 1 49 . GLU . 11191 1 50 . VAL . 11191 1 51 . TYR . 11191 1 52 . GLU . 11191 1 53 . GLU . 11191 1 54 . GLY . 11191 1 55 . ALA . 11191 1 56 . ALA . 11191 1 57 . ALA . 11191 1 58 . ARG . 11191 1 59 . ASP . 11191 1 60 . GLY . 11191 1 61 . ARG . 11191 1 62 . LEU . 11191 1 63 . TRP . 11191 1 64 . ALA . 11191 1 65 . GLY . 11191 1 66 . ASP . 11191 1 67 . GLN . 11191 1 68 . ILE . 11191 1 69 . LEU . 11191 1 70 . GLU . 11191 1 71 . VAL . 11191 1 72 . ASN . 11191 1 73 . GLY . 11191 1 74 . VAL . 11191 1 75 . ASP . 11191 1 76 . LEU . 11191 1 77 . ARG . 11191 1 78 . ASN . 11191 1 79 . SER . 11191 1 80 . SER . 11191 1 81 . HIS . 11191 1 82 . GLU . 11191 1 83 . GLU . 11191 1 84 . ALA . 11191 1 85 . ILE . 11191 1 86 . THR . 11191 1 87 . ALA . 11191 1 88 . LEU . 11191 1 89 . ARG . 11191 1 90 . GLN . 11191 1 91 . THR . 11191 1 92 . PRO . 11191 1 93 . GLN . 11191 1 94 . LYS . 11191 1 95 . VAL . 11191 1 96 . ARG . 11191 1 97 . LEU . 11191 1 98 . VAL . 11191 1 99 . VAL . 11191 1 100 . TYR . 11191 1 101 . ARG . 11191 1 102 . ASP . 11191 1 103 . GLU . 11191 1 104 . ALA . 11191 1 105 . HIS . 11191 1 106 . TYR . 11191 1 107 . ARG . 11191 1 108 . ASP . 11191 1 109 . GLU . 11191 1 110 . GLU . 11191 1 111 . SER . 11191 1 112 . GLY . 11191 1 113 . PRO . 11191 1 114 . SER . 11191 1 115 . SER . 11191 1 116 . GLY . 11191 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 11191 1 . SER 2 2 11191 1 . SER 3 3 11191 1 . GLY 4 4 11191 1 . SER 5 5 11191 1 . SER 6 6 11191 1 . GLY 7 7 11191 1 . PRO 8 8 11191 1 . ALA 9 9 11191 1 . THR 10 10 11191 1 . CYS 11 11 11191 1 . PRO 12 12 11191 1 . ILE 13 13 11191 1 . VAL 14 14 11191 1 . PRO 15 15 11191 1 . GLY 16 16 11191 1 . GLN 17 17 11191 1 . GLU 18 18 11191 1 . MET 19 19 11191 1 . ILE 20 20 11191 1 . ILE 21 21 11191 1 . GLU 22 22 11191 1 . ILE 23 23 11191 1 . SER 24 24 11191 1 . LYS 25 25 11191 1 . GLY 26 26 11191 1 . ARG 27 27 11191 1 . SER 28 28 11191 1 . GLY 29 29 11191 1 . LEU 30 30 11191 1 . GLY 31 31 11191 1 . LEU 32 32 11191 1 . SER 33 33 11191 1 . ILE 34 34 11191 1 . VAL 35 35 11191 1 . GLY 36 36 11191 1 . GLY 37 37 11191 1 . LYS 38 38 11191 1 . ASP 39 39 11191 1 . THR 40 40 11191 1 . PRO 41 41 11191 1 . LEU 42 42 11191 1 . ASN 43 43 11191 1 . ALA 44 44 11191 1 . ILE 45 45 11191 1 . VAL 46 46 11191 1 . ILE 47 47 11191 1 . HIS 48 48 11191 1 . GLU 49 49 11191 1 . VAL 50 50 11191 1 . TYR 51 51 11191 1 . GLU 52 52 11191 1 . GLU 53 53 11191 1 . GLY 54 54 11191 1 . ALA 55 55 11191 1 . ALA 56 56 11191 1 . ALA 57 57 11191 1 . ARG 58 58 11191 1 . ASP 59 59 11191 1 . GLY 60 60 11191 1 . ARG 61 61 11191 1 . LEU 62 62 11191 1 . TRP 63 63 11191 1 . ALA 64 64 11191 1 . GLY 65 65 11191 1 . ASP 66 66 11191 1 . GLN 67 67 11191 1 . ILE 68 68 11191 1 . LEU 69 69 11191 1 . GLU 70 70 11191 1 . VAL 71 71 11191 1 . ASN 72 72 11191 1 . GLY 73 73 11191 1 . VAL 74 74 11191 1 . ASP 75 75 11191 1 . LEU 76 76 11191 1 . ARG 77 77 11191 1 . ASN 78 78 11191 1 . SER 79 79 11191 1 . SER 80 80 11191 1 . HIS 81 81 11191 1 . GLU 82 82 11191 1 . GLU 83 83 11191 1 . ALA 84 84 11191 1 . ILE 85 85 11191 1 . THR 86 86 11191 1 . ALA 87 87 11191 1 . LEU 88 88 11191 1 . ARG 89 89 11191 1 . GLN 90 90 11191 1 . THR 91 91 11191 1 . PRO 92 92 11191 1 . GLN 93 93 11191 1 . LYS 94 94 11191 1 . VAL 95 95 11191 1 . ARG 96 96 11191 1 . LEU 97 97 11191 1 . VAL 98 98 11191 1 . VAL 99 99 11191 1 . TYR 100 100 11191 1 . ARG 101 101 11191 1 . ASP 102 102 11191 1 . GLU 103 103 11191 1 . ALA 104 104 11191 1 . HIS 105 105 11191 1 . TYR 106 106 11191 1 . ARG 107 107 11191 1 . ASP 108 108 11191 1 . GLU 109 109 11191 1 . GLU 110 110 11191 1 . SER 111 111 11191 1 . GLY 112 112 11191 1 . PRO 113 113 11191 1 . SER 114 114 11191 1 . SER 115 115 11191 1 . GLY 116 116 11191 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 11191 _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 . . . . . . . . . . . . . . . . . . . . . 11191 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 11191 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050627-18 . . . . . . 11191 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11191 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11191 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11191 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11191 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11191 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11191 1 6 H2O . . . . . . solvent 90 . . % . . . . 11191 1 7 D2O . . . . . . solvent 10 . . % . . . . 11191 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 11191 _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 11191 1 pH 7.0 0.05 pH 11191 1 pressure 1 0.001 atm 11191 1 temperature 298 0.1 K 11191 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11191 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11191 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11191 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11191 _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.' . . 11191 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11191 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11191 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11191 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11191 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11191 _Software.ID 4 _Software.Name Kujira _Software.Version 0.93191 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11191 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11191 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11191 _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.' . . 11191 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11191 5 'structure solution' 11191 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 11191 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11191 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11191 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 11191 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11191 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11191 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 11191 _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 . . . . . . . . . 11191 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11191 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11191 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 11191 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11191 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11191 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11191 1 2 $NMRPipe . . 11191 1 3 $NMRView . . 11191 1 4 $Kujira . . 11191 1 5 $CYANA . . 11191 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 7 7 GLY HA2 H 1 4.190 0.030 . 1 . . . . 7 GLY HA2 . 11191 1 2 . 1 1 7 7 GLY HA3 H 1 4.190 0.030 . 1 . . . . 7 GLY HA3 . 11191 1 3 . 1 1 8 8 PRO HA H 1 4.830 0.030 . 1 . . . . 8 PRO HA . 11191 1 4 . 1 1 8 8 PRO HB2 H 1 1.804 0.030 . 2 . . . . 8 PRO HB2 . 11191 1 5 . 1 1 8 8 PRO HB3 H 1 2.141 0.030 . 2 . . . . 8 PRO HB3 . 11191 1 6 . 1 1 8 8 PRO HD2 H 1 3.686 0.030 . 2 . . . . 8 PRO HD2 . 11191 1 7 . 1 1 8 8 PRO HD3 H 1 3.733 0.030 . 2 . . . . 8 PRO HD3 . 11191 1 8 . 1 1 8 8 PRO HG2 H 1 1.964 0.030 . 1 . . . . 8 PRO HG2 . 11191 1 9 . 1 1 8 8 PRO HG3 H 1 1.964 0.030 . 1 . . . . 8 PRO HG3 . 11191 1 10 . 1 1 8 8 PRO C C 13 178.543 0.300 . 1 . . . . 8 PRO C . 11191 1 11 . 1 1 8 8 PRO CA C 13 64.639 0.300 . 1 . . . . 8 PRO CA . 11191 1 12 . 1 1 8 8 PRO CB C 13 32.544 0.300 . 1 . . . . 8 PRO CB . 11191 1 13 . 1 1 8 8 PRO CD C 13 50.067 0.300 . 1 . . . . 8 PRO CD . 11191 1 14 . 1 1 8 8 PRO CG C 13 27.101 0.300 . 1 . . . . 8 PRO CG . 11191 1 15 . 1 1 9 9 ALA H H 1 8.861 0.030 . 1 . . . . 9 ALA H . 11191 1 16 . 1 1 9 9 ALA HA H 1 4.686 0.030 . 1 . . . . 9 ALA HA . 11191 1 17 . 1 1 9 9 ALA HB1 H 1 1.531 0.030 . 1 . . . . 9 ALA HB . 11191 1 18 . 1 1 9 9 ALA HB2 H 1 1.531 0.030 . 1 . . . . 9 ALA HB . 11191 1 19 . 1 1 9 9 ALA HB3 H 1 1.531 0.030 . 1 . . . . 9 ALA HB . 11191 1 20 . 1 1 9 9 ALA C C 13 178.455 0.300 . 1 . . . . 9 ALA C . 11191 1 21 . 1 1 9 9 ALA CA C 13 54.344 0.300 . 1 . . . . 9 ALA CA . 11191 1 22 . 1 1 9 9 ALA CB C 13 19.321 0.300 . 1 . . . . 9 ALA CB . 11191 1 23 . 1 1 9 9 ALA N N 15 123.194 0.300 . 1 . . . . 9 ALA N . 11191 1 24 . 1 1 10 10 THR H H 1 7.674 0.030 . 1 . . . . 10 THR H . 11191 1 25 . 1 1 10 10 THR HA H 1 4.464 0.030 . 1 . . . . 10 THR HA . 11191 1 26 . 1 1 10 10 THR HB H 1 4.346 0.030 . 1 . . . . 10 THR HB . 11191 1 27 . 1 1 10 10 THR HG21 H 1 1.128 0.030 . 1 . . . . 10 THR HG2 . 11191 1 28 . 1 1 10 10 THR HG22 H 1 1.128 0.030 . 1 . . . . 10 THR HG2 . 11191 1 29 . 1 1 10 10 THR HG23 H 1 1.128 0.030 . 1 . . . . 10 THR HG2 . 11191 1 30 . 1 1 10 10 THR C C 13 174.821 0.300 . 1 . . . . 10 THR C . 11191 1 31 . 1 1 10 10 THR CA C 13 61.183 0.300 . 1 . . . . 10 THR CA . 11191 1 32 . 1 1 10 10 THR CB C 13 71.367 0.300 . 1 . . . . 10 THR CB . 11191 1 33 . 1 1 10 10 THR CG2 C 13 21.849 0.300 . 1 . . . . 10 THR CG2 . 11191 1 34 . 1 1 10 10 THR N N 15 104.605 0.300 . 1 . . . . 10 THR N . 11191 1 35 . 1 1 11 11 CYS H H 1 8.145 0.030 . 1 . . . . 11 CYS H . 11191 1 36 . 1 1 11 11 CYS HA H 1 4.677 0.030 . 1 . . . . 11 CYS HA . 11191 1 37 . 1 1 11 11 CYS HB2 H 1 2.794 0.030 . 2 . . . . 11 CYS HB2 . 11191 1 38 . 1 1 11 11 CYS HB3 H 1 3.131 0.030 . 2 . . . . 11 CYS HB3 . 11191 1 39 . 1 1 11 11 CYS C C 13 171.248 0.300 . 1 . . . . 11 CYS C . 11191 1 40 . 1 1 11 11 CYS CA C 13 55.438 0.300 . 1 . . . . 11 CYS CA . 11191 1 41 . 1 1 11 11 CYS CB C 13 26.793 0.300 . 1 . . . . 11 CYS CB . 11191 1 42 . 1 1 11 11 CYS N N 15 123.244 0.300 . 1 . . . . 11 CYS N . 11191 1 43 . 1 1 12 12 PRO HA H 1 4.341 0.030 . 1 . . . . 12 PRO HA . 11191 1 44 . 1 1 12 12 PRO HB2 H 1 1.705 0.030 . 2 . . . . 12 PRO HB2 . 11191 1 45 . 1 1 12 12 PRO HB3 H 1 2.180 0.030 . 2 . . . . 12 PRO HB3 . 11191 1 46 . 1 1 12 12 PRO HD2 H 1 3.670 0.030 . 2 . . . . 12 PRO HD2 . 11191 1 47 . 1 1 12 12 PRO HD3 H 1 3.755 0.030 . 2 . . . . 12 PRO HD3 . 11191 1 48 . 1 1 12 12 PRO HG2 H 1 1.896 0.030 . 2 . . . . 12 PRO HG2 . 11191 1 49 . 1 1 12 12 PRO HG3 H 1 1.969 0.030 . 2 . . . . 12 PRO HG3 . 11191 1 50 . 1 1 12 12 PRO C C 13 176.349 0.300 . 1 . . . . 12 PRO C . 11191 1 51 . 1 1 12 12 PRO CA C 13 62.006 0.300 . 1 . . . . 12 PRO CA . 11191 1 52 . 1 1 12 12 PRO CB C 13 32.027 0.300 . 1 . . . . 12 PRO CB . 11191 1 53 . 1 1 12 12 PRO CD C 13 50.301 0.300 . 1 . . . . 12 PRO CD . 11191 1 54 . 1 1 12 12 PRO CG C 13 27.187 0.300 . 1 . . . . 12 PRO CG . 11191 1 55 . 1 1 13 13 ILE H H 1 8.482 0.030 . 1 . . . . 13 ILE H . 11191 1 56 . 1 1 13 13 ILE HA H 1 3.700 0.030 . 1 . . . . 13 ILE HA . 11191 1 57 . 1 1 13 13 ILE HB H 1 1.424 0.030 . 1 . . . . 13 ILE HB . 11191 1 58 . 1 1 13 13 ILE HD11 H 1 0.546 0.030 . 1 . . . . 13 ILE HD1 . 11191 1 59 . 1 1 13 13 ILE HD12 H 1 0.546 0.030 . 1 . . . . 13 ILE HD1 . 11191 1 60 . 1 1 13 13 ILE HD13 H 1 0.546 0.030 . 1 . . . . 13 ILE HD1 . 11191 1 61 . 1 1 13 13 ILE HG12 H 1 1.366 0.030 . 2 . . . . 13 ILE HG12 . 11191 1 62 . 1 1 13 13 ILE HG13 H 1 0.857 0.030 . 2 . . . . 13 ILE HG13 . 11191 1 63 . 1 1 13 13 ILE HG21 H 1 0.408 0.030 . 1 . . . . 13 ILE HG2 . 11191 1 64 . 1 1 13 13 ILE HG22 H 1 0.408 0.030 . 1 . . . . 13 ILE HG2 . 11191 1 65 . 1 1 13 13 ILE HG23 H 1 0.408 0.030 . 1 . . . . 13 ILE HG2 . 11191 1 66 . 1 1 13 13 ILE C C 13 175.278 0.300 . 1 . . . . 13 ILE C . 11191 1 67 . 1 1 13 13 ILE CA C 13 61.493 0.300 . 1 . . . . 13 ILE CA . 11191 1 68 . 1 1 13 13 ILE CB C 13 37.519 0.300 . 1 . . . . 13 ILE CB . 11191 1 69 . 1 1 13 13 ILE CD1 C 13 12.718 0.300 . 1 . . . . 13 ILE CD1 . 11191 1 70 . 1 1 13 13 ILE CG1 C 13 28.228 0.300 . 1 . . . . 13 ILE CG1 . 11191 1 71 . 1 1 13 13 ILE CG2 C 13 16.711 0.300 . 1 . . . . 13 ILE CG2 . 11191 1 72 . 1 1 13 13 ILE N N 15 119.606 0.300 . 1 . . . . 13 ILE N . 11191 1 73 . 1 1 14 14 VAL H H 1 7.276 0.030 . 1 . . . . 14 VAL H . 11191 1 74 . 1 1 14 14 VAL HA H 1 4.359 0.030 . 1 . . . . 14 VAL HA . 11191 1 75 . 1 1 14 14 VAL HB H 1 1.926 0.030 . 1 . . . . 14 VAL HB . 11191 1 76 . 1 1 14 14 VAL HG11 H 1 0.881 0.030 . 1 . . . . 14 VAL HG1 . 11191 1 77 . 1 1 14 14 VAL HG12 H 1 0.881 0.030 . 1 . . . . 14 VAL HG1 . 11191 1 78 . 1 1 14 14 VAL HG13 H 1 0.881 0.030 . 1 . . . . 14 VAL HG1 . 11191 1 79 . 1 1 14 14 VAL HG21 H 1 0.841 0.030 . 1 . . . . 14 VAL HG2 . 11191 1 80 . 1 1 14 14 VAL HG22 H 1 0.841 0.030 . 1 . . . . 14 VAL HG2 . 11191 1 81 . 1 1 14 14 VAL HG23 H 1 0.841 0.030 . 1 . . . . 14 VAL HG2 . 11191 1 82 . 1 1 14 14 VAL C C 13 174.097 0.300 . 1 . . . . 14 VAL C . 11191 1 83 . 1 1 14 14 VAL CA C 13 58.965 0.300 . 1 . . . . 14 VAL CA . 11191 1 84 . 1 1 14 14 VAL CB C 13 33.328 0.300 . 1 . . . . 14 VAL CB . 11191 1 85 . 1 1 14 14 VAL CG1 C 13 20.561 0.300 . 2 . . . . 14 VAL CG1 . 11191 1 86 . 1 1 14 14 VAL CG2 C 13 20.517 0.300 . 2 . . . . 14 VAL CG2 . 11191 1 87 . 1 1 14 14 VAL N N 15 129.215 0.300 . 1 . . . . 14 VAL N . 11191 1 88 . 1 1 15 15 PRO HA H 1 4.240 0.030 . 1 . . . . 15 PRO HA . 11191 1 89 . 1 1 15 15 PRO HB2 H 1 1.741 0.030 . 2 . . . . 15 PRO HB2 . 11191 1 90 . 1 1 15 15 PRO HB3 H 1 1.956 0.030 . 2 . . . . 15 PRO HB3 . 11191 1 91 . 1 1 15 15 PRO HD2 H 1 3.602 0.030 . 2 . . . . 15 PRO HD2 . 11191 1 92 . 1 1 15 15 PRO HD3 H 1 3.867 0.030 . 2 . . . . 15 PRO HD3 . 11191 1 93 . 1 1 15 15 PRO HG2 H 1 2.018 0.030 . 2 . . . . 15 PRO HG2 . 11191 1 94 . 1 1 15 15 PRO HG3 H 1 1.593 0.030 . 2 . . . . 15 PRO HG3 . 11191 1 95 . 1 1 15 15 PRO C C 13 177.402 0.300 . 1 . . . . 15 PRO C . 11191 1 96 . 1 1 15 15 PRO CA C 13 62.991 0.300 . 1 . . . . 15 PRO CA . 11191 1 97 . 1 1 15 15 PRO CB C 13 32.444 0.300 . 1 . . . . 15 PRO CB . 11191 1 98 . 1 1 15 15 PRO CD C 13 51.181 0.300 . 1 . . . . 15 PRO CD . 11191 1 99 . 1 1 15 15 PRO CG C 13 27.877 0.300 . 1 . . . . 15 PRO CG . 11191 1 100 . 1 1 16 16 GLY H H 1 8.765 0.030 . 1 . . . . 16 GLY H . 11191 1 101 . 1 1 16 16 GLY HA2 H 1 3.710 0.030 . 2 . . . . 16 GLY HA2 . 11191 1 102 . 1 1 16 16 GLY HA3 H 1 4.109 0.030 . 2 . . . . 16 GLY HA3 . 11191 1 103 . 1 1 16 16 GLY C C 13 173.398 0.300 . 1 . . . . 16 GLY C . 11191 1 104 . 1 1 16 16 GLY CA C 13 45.915 0.300 . 1 . . . . 16 GLY CA . 11191 1 105 . 1 1 16 16 GLY N N 15 108.436 0.300 . 1 . . . . 16 GLY N . 11191 1 106 . 1 1 17 17 GLN H H 1 7.430 0.030 . 1 . . . . 17 GLN H . 11191 1 107 . 1 1 17 17 GLN HA H 1 4.778 0.030 . 1 . . . . 17 GLN HA . 11191 1 108 . 1 1 17 17 GLN HB2 H 1 1.825 0.030 . 2 . . . . 17 GLN HB2 . 11191 1 109 . 1 1 17 17 GLN HB3 H 1 2.037 0.030 . 2 . . . . 17 GLN HB3 . 11191 1 110 . 1 1 17 17 GLN HE21 H 1 6.854 0.030 . 2 . . . . 17 GLN HE21 . 11191 1 111 . 1 1 17 17 GLN HE22 H 1 7.324 0.030 . 2 . . . . 17 GLN HE22 . 11191 1 112 . 1 1 17 17 GLN HG2 H 1 2.128 0.030 . 2 . . . . 17 GLN HG2 . 11191 1 113 . 1 1 17 17 GLN HG3 H 1 2.165 0.030 . 2 . . . . 17 GLN HG3 . 11191 1 114 . 1 1 17 17 GLN C C 13 174.558 0.300 . 1 . . . . 17 GLN C . 11191 1 115 . 1 1 17 17 GLN CA C 13 53.806 0.300 . 1 . . . . 17 GLN CA . 11191 1 116 . 1 1 17 17 GLN CB C 13 32.015 0.300 . 1 . . . . 17 GLN CB . 11191 1 117 . 1 1 17 17 GLN CG C 13 33.239 0.300 . 1 . . . . 17 GLN CG . 11191 1 118 . 1 1 17 17 GLN N N 15 116.413 0.300 . 1 . . . . 17 GLN N . 11191 1 119 . 1 1 17 17 GLN NE2 N 15 112.067 0.300 . 1 . . . . 17 GLN NE2 . 11191 1 120 . 1 1 18 18 GLU H H 1 9.024 0.030 . 1 . . . . 18 GLU H . 11191 1 121 . 1 1 18 18 GLU HA H 1 4.661 0.030 . 1 . . . . 18 GLU HA . 11191 1 122 . 1 1 18 18 GLU HB2 H 1 1.962 0.030 . 2 . . . . 18 GLU HB2 . 11191 1 123 . 1 1 18 18 GLU HB3 H 1 1.772 0.030 . 2 . . . . 18 GLU HB3 . 11191 1 124 . 1 1 18 18 GLU HG2 H 1 1.988 0.030 . 2 . . . . 18 GLU HG2 . 11191 1 125 . 1 1 18 18 GLU HG3 H 1 2.349 0.030 . 2 . . . . 18 GLU HG3 . 11191 1 126 . 1 1 18 18 GLU C C 13 176.278 0.300 . 1 . . . . 18 GLU C . 11191 1 127 . 1 1 18 18 GLU CA C 13 57.360 0.300 . 1 . . . . 18 GLU CA . 11191 1 128 . 1 1 18 18 GLU CB C 13 29.211 0.300 . 1 . . . . 18 GLU CB . 11191 1 129 . 1 1 18 18 GLU CG C 13 36.955 0.300 . 1 . . . . 18 GLU CG . 11191 1 130 . 1 1 18 18 GLU N N 15 124.778 0.300 . 1 . . . . 18 GLU N . 11191 1 131 . 1 1 19 19 MET H H 1 9.060 0.030 . 1 . . . . 19 MET H . 11191 1 132 . 1 1 19 19 MET HA H 1 4.931 0.030 . 1 . . . . 19 MET HA . 11191 1 133 . 1 1 19 19 MET HB2 H 1 1.850 0.030 . 2 . . . . 19 MET HB2 . 11191 1 134 . 1 1 19 19 MET HB3 H 1 1.941 0.030 . 2 . . . . 19 MET HB3 . 11191 1 135 . 1 1 19 19 MET HE1 H 1 2.021 0.030 . 1 . . . . 19 MET HE . 11191 1 136 . 1 1 19 19 MET HE2 H 1 2.021 0.030 . 1 . . . . 19 MET HE . 11191 1 137 . 1 1 19 19 MET HE3 H 1 2.021 0.030 . 1 . . . . 19 MET HE . 11191 1 138 . 1 1 19 19 MET HG2 H 1 2.358 0.030 . 2 . . . . 19 MET HG2 . 11191 1 139 . 1 1 19 19 MET HG3 H 1 2.643 0.030 . 2 . . . . 19 MET HG3 . 11191 1 140 . 1 1 19 19 MET C C 13 173.821 0.300 . 1 . . . . 19 MET C . 11191 1 141 . 1 1 19 19 MET CA C 13 53.669 0.300 . 1 . . . . 19 MET CA . 11191 1 142 . 1 1 19 19 MET CB C 13 34.578 0.300 . 1 . . . . 19 MET CB . 11191 1 143 . 1 1 19 19 MET CE C 13 16.643 0.300 . 1 . . . . 19 MET CE . 11191 1 144 . 1 1 19 19 MET CG C 13 30.451 0.300 . 1 . . . . 19 MET CG . 11191 1 145 . 1 1 19 19 MET N N 15 123.895 0.300 . 1 . . . . 19 MET N . 11191 1 146 . 1 1 20 20 ILE H H 1 8.266 0.030 . 1 . . . . 20 ILE H . 11191 1 147 . 1 1 20 20 ILE HA H 1 4.937 0.030 . 1 . . . . 20 ILE HA . 11191 1 148 . 1 1 20 20 ILE HB H 1 1.652 0.030 . 1 . . . . 20 ILE HB . 11191 1 149 . 1 1 20 20 ILE HD11 H 1 0.855 0.030 . 1 . . . . 20 ILE HD1 . 11191 1 150 . 1 1 20 20 ILE HD12 H 1 0.855 0.030 . 1 . . . . 20 ILE HD1 . 11191 1 151 . 1 1 20 20 ILE HD13 H 1 0.855 0.030 . 1 . . . . 20 ILE HD1 . 11191 1 152 . 1 1 20 20 ILE HG12 H 1 0.987 0.030 . 2 . . . . 20 ILE HG12 . 11191 1 153 . 1 1 20 20 ILE HG13 H 1 1.627 0.030 . 2 . . . . 20 ILE HG13 . 11191 1 154 . 1 1 20 20 ILE HG21 H 1 0.752 0.030 . 1 . . . . 20 ILE HG2 . 11191 1 155 . 1 1 20 20 ILE HG22 H 1 0.752 0.030 . 1 . . . . 20 ILE HG2 . 11191 1 156 . 1 1 20 20 ILE HG23 H 1 0.752 0.030 . 1 . . . . 20 ILE HG2 . 11191 1 157 . 1 1 20 20 ILE C C 13 175.980 0.300 . 1 . . . . 20 ILE C . 11191 1 158 . 1 1 20 20 ILE CA C 13 60.745 0.300 . 1 . . . . 20 ILE CA . 11191 1 159 . 1 1 20 20 ILE CB C 13 39.143 0.300 . 1 . . . . 20 ILE CB . 11191 1 160 . 1 1 20 20 ILE CD1 C 13 14.048 0.300 . 1 . . . . 20 ILE CD1 . 11191 1 161 . 1 1 20 20 ILE CG1 C 13 28.650 0.300 . 1 . . . . 20 ILE CG1 . 11191 1 162 . 1 1 20 20 ILE CG2 C 13 17.519 0.300 . 1 . . . . 20 ILE CG2 . 11191 1 163 . 1 1 20 20 ILE N N 15 122.840 0.300 . 1 . . . . 20 ILE N . 11191 1 164 . 1 1 21 21 ILE H H 1 8.905 0.030 . 1 . . . . 21 ILE H . 11191 1 165 . 1 1 21 21 ILE HA H 1 4.904 0.030 . 1 . . . . 21 ILE HA . 11191 1 166 . 1 1 21 21 ILE HB H 1 1.829 0.030 . 1 . . . . 21 ILE HB . 11191 1 167 . 1 1 21 21 ILE HD11 H 1 0.672 0.030 . 1 . . . . 21 ILE HD1 . 11191 1 168 . 1 1 21 21 ILE HD12 H 1 0.672 0.030 . 1 . . . . 21 ILE HD1 . 11191 1 169 . 1 1 21 21 ILE HD13 H 1 0.672 0.030 . 1 . . . . 21 ILE HD1 . 11191 1 170 . 1 1 21 21 ILE HG12 H 1 0.981 0.030 . 2 . . . . 21 ILE HG12 . 11191 1 171 . 1 1 21 21 ILE HG13 H 1 1.223 0.030 . 2 . . . . 21 ILE HG13 . 11191 1 172 . 1 1 21 21 ILE HG21 H 1 0.667 0.030 . 1 . . . . 21 ILE HG2 . 11191 1 173 . 1 1 21 21 ILE HG22 H 1 0.667 0.030 . 1 . . . . 21 ILE HG2 . 11191 1 174 . 1 1 21 21 ILE HG23 H 1 0.667 0.030 . 1 . . . . 21 ILE HG2 . 11191 1 175 . 1 1 21 21 ILE C C 13 173.593 0.300 . 1 . . . . 21 ILE C . 11191 1 176 . 1 1 21 21 ILE CA C 13 58.973 0.300 . 1 . . . . 21 ILE CA . 11191 1 177 . 1 1 21 21 ILE CB C 13 41.707 0.300 . 1 . . . . 21 ILE CB . 11191 1 178 . 1 1 21 21 ILE CD1 C 13 13.825 0.300 . 1 . . . . 21 ILE CD1 . 11191 1 179 . 1 1 21 21 ILE CG1 C 13 26.128 0.300 . 1 . . . . 21 ILE CG1 . 11191 1 180 . 1 1 21 21 ILE CG2 C 13 17.739 0.300 . 1 . . . . 21 ILE CG2 . 11191 1 181 . 1 1 21 21 ILE N N 15 119.808 0.300 . 1 . . . . 21 ILE N . 11191 1 182 . 1 1 22 22 GLU H H 1 7.589 0.030 . 1 . . . . 22 GLU H . 11191 1 183 . 1 1 22 22 GLU HA H 1 5.462 0.030 . 1 . . . . 22 GLU HA . 11191 1 184 . 1 1 22 22 GLU HB2 H 1 1.621 0.030 . 1 . . . . 22 GLU HB2 . 11191 1 185 . 1 1 22 22 GLU HB3 H 1 1.621 0.030 . 1 . . . . 22 GLU HB3 . 11191 1 186 . 1 1 22 22 GLU HG2 H 1 1.848 0.030 . 2 . . . . 22 GLU HG2 . 11191 1 187 . 1 1 22 22 GLU HG3 H 1 1.917 0.030 . 2 . . . . 22 GLU HG3 . 11191 1 188 . 1 1 22 22 GLU C C 13 174.962 0.300 . 1 . . . . 22 GLU C . 11191 1 189 . 1 1 22 22 GLU CA C 13 54.080 0.300 . 1 . . . . 22 GLU CA . 11191 1 190 . 1 1 22 22 GLU CB C 13 34.141 0.300 . 1 . . . . 22 GLU CB . 11191 1 191 . 1 1 22 22 GLU CG C 13 37.557 0.300 . 1 . . . . 22 GLU CG . 11191 1 192 . 1 1 22 22 GLU N N 15 122.234 0.300 . 1 . . . . 22 GLU N . 11191 1 193 . 1 1 23 23 ILE H H 1 8.921 0.030 . 1 . . . . 23 ILE H . 11191 1 194 . 1 1 23 23 ILE HA H 1 4.322 0.030 . 1 . . . . 23 ILE HA . 11191 1 195 . 1 1 23 23 ILE HB H 1 1.400 0.030 . 1 . . . . 23 ILE HB . 11191 1 196 . 1 1 23 23 ILE HD11 H 1 0.700 0.030 . 1 . . . . 23 ILE HD1 . 11191 1 197 . 1 1 23 23 ILE HD12 H 1 0.700 0.030 . 1 . . . . 23 ILE HD1 . 11191 1 198 . 1 1 23 23 ILE HD13 H 1 0.700 0.030 . 1 . . . . 23 ILE HD1 . 11191 1 199 . 1 1 23 23 ILE HG12 H 1 0.931 0.030 . 2 . . . . 23 ILE HG12 . 11191 1 200 . 1 1 23 23 ILE HG13 H 1 1.330 0.030 . 2 . . . . 23 ILE HG13 . 11191 1 201 . 1 1 23 23 ILE HG21 H 1 0.646 0.030 . 1 . . . . 23 ILE HG2 . 11191 1 202 . 1 1 23 23 ILE HG22 H 1 0.646 0.030 . 1 . . . . 23 ILE HG2 . 11191 1 203 . 1 1 23 23 ILE HG23 H 1 0.646 0.030 . 1 . . . . 23 ILE HG2 . 11191 1 204 . 1 1 23 23 ILE C C 13 174.804 0.300 . 1 . . . . 23 ILE C . 11191 1 205 . 1 1 23 23 ILE CA C 13 59.538 0.300 . 1 . . . . 23 ILE CA . 11191 1 206 . 1 1 23 23 ILE CB C 13 42.226 0.300 . 1 . . . . 23 ILE CB . 11191 1 207 . 1 1 23 23 ILE CD1 C 13 14.209 0.300 . 1 . . . . 23 ILE CD1 . 11191 1 208 . 1 1 23 23 ILE CG1 C 13 27.599 0.300 . 1 . . . . 23 ILE CG1 . 11191 1 209 . 1 1 23 23 ILE CG2 C 13 17.227 0.300 . 1 . . . . 23 ILE CG2 . 11191 1 210 . 1 1 23 23 ILE N N 15 124.176 0.300 . 1 . . . . 23 ILE N . 11191 1 211 . 1 1 24 24 SER H H 1 8.789 0.030 . 1 . . . . 24 SER H . 11191 1 212 . 1 1 24 24 SER HA H 1 5.021 0.030 . 1 . . . . 24 SER HA . 11191 1 213 . 1 1 24 24 SER HB2 H 1 3.776 0.030 . 2 . . . . 24 SER HB2 . 11191 1 214 . 1 1 24 24 SER HB3 H 1 3.853 0.030 . 2 . . . . 24 SER HB3 . 11191 1 215 . 1 1 24 24 SER C C 13 174.488 0.300 . 1 . . . . 24 SER C . 11191 1 216 . 1 1 24 24 SER CA C 13 57.481 0.300 . 1 . . . . 24 SER CA . 11191 1 217 . 1 1 24 24 SER CB C 13 63.332 0.300 . 1 . . . . 24 SER CB . 11191 1 218 . 1 1 24 24 SER N N 15 122.691 0.300 . 1 . . . . 24 SER N . 11191 1 219 . 1 1 25 25 LYS H H 1 9.027 0.030 . 1 . . . . 25 LYS H . 11191 1 220 . 1 1 25 25 LYS HA H 1 3.887 0.030 . 1 . . . . 25 LYS HA . 11191 1 221 . 1 1 25 25 LYS HB2 H 1 1.732 0.030 . 2 . . . . 25 LYS HB2 . 11191 1 222 . 1 1 25 25 LYS HB3 H 1 1.880 0.030 . 2 . . . . 25 LYS HB3 . 11191 1 223 . 1 1 25 25 LYS HD2 H 1 1.598 0.030 . 2 . . . . 25 LYS HD2 . 11191 1 224 . 1 1 25 25 LYS HD3 H 1 1.661 0.030 . 2 . . . . 25 LYS HD3 . 11191 1 225 . 1 1 25 25 LYS HE2 H 1 2.938 0.030 . 1 . . . . 25 LYS HE2 . 11191 1 226 . 1 1 25 25 LYS HE3 H 1 2.938 0.030 . 1 . . . . 25 LYS HE3 . 11191 1 227 . 1 1 25 25 LYS HG2 H 1 1.223 0.030 . 2 . . . . 25 LYS HG2 . 11191 1 228 . 1 1 25 25 LYS HG3 H 1 1.459 0.030 . 2 . . . . 25 LYS HG3 . 11191 1 229 . 1 1 25 25 LYS C C 13 176.910 0.300 . 1 . . . . 25 LYS C . 11191 1 230 . 1 1 25 25 LYS CA C 13 58.139 0.300 . 1 . . . . 25 LYS CA . 11191 1 231 . 1 1 25 25 LYS CB C 13 33.893 0.300 . 1 . . . . 25 LYS CB . 11191 1 232 . 1 1 25 25 LYS CD C 13 29.922 0.300 . 1 . . . . 25 LYS CD . 11191 1 233 . 1 1 25 25 LYS CE C 13 41.997 0.300 . 1 . . . . 25 LYS CE . 11191 1 234 . 1 1 25 25 LYS CG C 13 25.632 0.300 . 1 . . . . 25 LYS CG . 11191 1 235 . 1 1 25 25 LYS N N 15 125.739 0.300 . 1 . . . . 25 LYS N . 11191 1 236 . 1 1 26 26 GLY H H 1 8.264 0.030 . 1 . . . . 26 GLY H . 11191 1 237 . 1 1 26 26 GLY HA2 H 1 3.887 0.030 . 2 . . . . 26 GLY HA2 . 11191 1 238 . 1 1 26 26 GLY HA3 H 1 4.094 0.030 . 2 . . . . 26 GLY HA3 . 11191 1 239 . 1 1 26 26 GLY C C 13 176.893 0.300 . 1 . . . . 26 GLY C . 11191 1 240 . 1 1 26 26 GLY CA C 13 45.584 0.300 . 1 . . . . 26 GLY CA . 11191 1 241 . 1 1 26 26 GLY N N 15 108.640 0.300 . 1 . . . . 26 GLY N . 11191 1 242 . 1 1 27 27 ARG HA H 1 4.320 0.030 . 1 . . . . 27 ARG HA . 11191 1 243 . 1 1 27 27 ARG HB2 H 1 1.812 0.030 . 2 . . . . 27 ARG HB2 . 11191 1 244 . 1 1 27 27 ARG HB3 H 1 1.980 0.030 . 2 . . . . 27 ARG HB3 . 11191 1 245 . 1 1 27 27 ARG HD2 H 1 3.206 0.030 . 1 . . . . 27 ARG HD2 . 11191 1 246 . 1 1 27 27 ARG HD3 H 1 3.206 0.030 . 1 . . . . 27 ARG HD3 . 11191 1 247 . 1 1 27 27 ARG HG2 H 1 1.673 0.030 . 1 . . . . 27 ARG HG2 . 11191 1 248 . 1 1 27 27 ARG HG3 H 1 1.673 0.030 . 1 . . . . 27 ARG HG3 . 11191 1 249 . 1 1 27 27 ARG CA C 13 57.202 0.300 . 1 . . . . 27 ARG CA . 11191 1 250 . 1 1 27 27 ARG CB C 13 30.120 0.300 . 1 . . . . 27 ARG CB . 11191 1 251 . 1 1 27 27 ARG CD C 13 43.326 0.300 . 1 . . . . 27 ARG CD . 11191 1 252 . 1 1 27 27 ARG CG C 13 27.263 0.300 . 1 . . . . 27 ARG CG . 11191 1 253 . 1 1 28 28 SER H H 1 8.110 0.030 . 1 . . . . 28 SER H . 11191 1 254 . 1 1 28 28 SER HA H 1 4.684 0.030 . 1 . . . . 28 SER HA . 11191 1 255 . 1 1 28 28 SER HB2 H 1 4.040 0.030 . 1 . . . . 28 SER HB2 . 11191 1 256 . 1 1 28 28 SER HB3 H 1 4.040 0.030 . 1 . . . . 28 SER HB3 . 11191 1 257 . 1 1 28 28 SER CA C 13 58.075 0.300 . 1 . . . . 28 SER CA . 11191 1 258 . 1 1 28 28 SER CB C 13 64.644 0.300 . 1 . . . . 28 SER CB . 11191 1 259 . 1 1 30 30 LEU HA H 1 4.025 0.030 . 1 . . . . 30 LEU HA . 11191 1 260 . 1 1 30 30 LEU HB2 H 1 1.606 0.030 . 2 . . . . 30 LEU HB2 . 11191 1 261 . 1 1 30 30 LEU HB3 H 1 1.752 0.030 . 2 . . . . 30 LEU HB3 . 11191 1 262 . 1 1 30 30 LEU HD11 H 1 0.916 0.030 . 1 . . . . 30 LEU HD1 . 11191 1 263 . 1 1 30 30 LEU HD12 H 1 0.916 0.030 . 1 . . . . 30 LEU HD1 . 11191 1 264 . 1 1 30 30 LEU HD13 H 1 0.916 0.030 . 1 . . . . 30 LEU HD1 . 11191 1 265 . 1 1 30 30 LEU HD21 H 1 0.829 0.030 . 1 . . . . 30 LEU HD2 . 11191 1 266 . 1 1 30 30 LEU HD22 H 1 0.829 0.030 . 1 . . . . 30 LEU HD2 . 11191 1 267 . 1 1 30 30 LEU HD23 H 1 0.829 0.030 . 1 . . . . 30 LEU HD2 . 11191 1 268 . 1 1 30 30 LEU HG H 1 1.660 0.030 . 1 . . . . 30 LEU HG . 11191 1 269 . 1 1 30 30 LEU CA C 13 57.868 0.300 . 1 . . . . 30 LEU CA . 11191 1 270 . 1 1 30 30 LEU CB C 13 42.937 0.300 . 1 . . . . 30 LEU CB . 11191 1 271 . 1 1 30 30 LEU CD1 C 13 24.927 0.300 . 2 . . . . 30 LEU CD1 . 11191 1 272 . 1 1 30 30 LEU CD2 C 13 24.833 0.300 . 2 . . . . 30 LEU CD2 . 11191 1 273 . 1 1 30 30 LEU CG C 13 27.383 0.300 . 1 . . . . 30 LEU CG . 11191 1 274 . 1 1 31 31 GLY H H 1 8.779 0.030 . 1 . . . . 31 GLY H . 11191 1 275 . 1 1 31 31 GLY HA2 H 1 4.048 0.030 . 2 . . . . 31 GLY HA2 . 11191 1 276 . 1 1 31 31 GLY HA3 H 1 4.117 0.030 . 2 . . . . 31 GLY HA3 . 11191 1 277 . 1 1 31 31 GLY C C 13 173.944 0.300 . 1 . . . . 31 GLY C . 11191 1 278 . 1 1 31 31 GLY CA C 13 48.130 0.300 . 1 . . . . 31 GLY CA . 11191 1 279 . 1 1 32 32 LEU H H 1 7.927 0.030 . 1 . . . . 32 LEU H . 11191 1 280 . 1 1 32 32 LEU HA H 1 4.844 0.030 . 1 . . . . 32 LEU HA . 11191 1 281 . 1 1 32 32 LEU HB2 H 1 1.256 0.030 . 2 . . . . 32 LEU HB2 . 11191 1 282 . 1 1 32 32 LEU HB3 H 1 1.604 0.030 . 2 . . . . 32 LEU HB3 . 11191 1 283 . 1 1 32 32 LEU HD11 H 1 0.753 0.030 . 1 . . . . 32 LEU HD1 . 11191 1 284 . 1 1 32 32 LEU HD12 H 1 0.753 0.030 . 1 . . . . 32 LEU HD1 . 11191 1 285 . 1 1 32 32 LEU HD13 H 1 0.753 0.030 . 1 . . . . 32 LEU HD1 . 11191 1 286 . 1 1 32 32 LEU HD21 H 1 0.640 0.030 . 1 . . . . 32 LEU HD2 . 11191 1 287 . 1 1 32 32 LEU HD22 H 1 0.640 0.030 . 1 . . . . 32 LEU HD2 . 11191 1 288 . 1 1 32 32 LEU HD23 H 1 0.640 0.030 . 1 . . . . 32 LEU HD2 . 11191 1 289 . 1 1 32 32 LEU HG H 1 1.419 0.030 . 1 . . . . 32 LEU HG . 11191 1 290 . 1 1 32 32 LEU C C 13 175.243 0.300 . 1 . . . . 32 LEU C . 11191 1 291 . 1 1 32 32 LEU CA C 13 53.251 0.300 . 1 . . . . 32 LEU CA . 11191 1 292 . 1 1 32 32 LEU CB C 13 45.709 0.300 . 1 . . . . 32 LEU CB . 11191 1 293 . 1 1 32 32 LEU CD1 C 13 26.000 0.300 . 2 . . . . 32 LEU CD1 . 11191 1 294 . 1 1 32 32 LEU CD2 C 13 25.015 0.300 . 2 . . . . 32 LEU CD2 . 11191 1 295 . 1 1 32 32 LEU CG C 13 25.928 0.300 . 1 . . . . 32 LEU CG . 11191 1 296 . 1 1 32 32 LEU N N 15 117.679 0.300 . 1 . . . . 32 LEU N . 11191 1 297 . 1 1 33 33 SER H H 1 8.536 0.030 . 1 . . . . 33 SER H . 11191 1 298 . 1 1 33 33 SER HA H 1 5.018 0.030 . 1 . . . . 33 SER HA . 11191 1 299 . 1 1 33 33 SER HB2 H 1 3.987 0.030 . 2 . . . . 33 SER HB2 . 11191 1 300 . 1 1 33 33 SER HB3 H 1 4.081 0.030 . 2 . . . . 33 SER HB3 . 11191 1 301 . 1 1 33 33 SER C C 13 175.295 0.300 . 1 . . . . 33 SER C . 11191 1 302 . 1 1 33 33 SER CA C 13 55.779 0.300 . 1 . . . . 33 SER CA . 11191 1 303 . 1 1 33 33 SER CB C 13 65.260 0.300 . 1 . . . . 33 SER CB . 11191 1 304 . 1 1 33 33 SER N N 15 116.788 0.300 . 1 . . . . 33 SER N . 11191 1 305 . 1 1 34 34 ILE H H 1 8.843 0.030 . 1 . . . . 34 ILE H . 11191 1 306 . 1 1 34 34 ILE HA H 1 5.389 0.030 . 1 . . . . 34 ILE HA . 11191 1 307 . 1 1 34 34 ILE HB H 1 1.841 0.030 . 1 . . . . 34 ILE HB . 11191 1 308 . 1 1 34 34 ILE HD11 H 1 0.523 0.030 . 1 . . . . 34 ILE HD1 . 11191 1 309 . 1 1 34 34 ILE HD12 H 1 0.523 0.030 . 1 . . . . 34 ILE HD1 . 11191 1 310 . 1 1 34 34 ILE HD13 H 1 0.523 0.030 . 1 . . . . 34 ILE HD1 . 11191 1 311 . 1 1 34 34 ILE HG12 H 1 0.962 0.030 . 2 . . . . 34 ILE HG12 . 11191 1 312 . 1 1 34 34 ILE HG13 H 1 1.351 0.030 . 2 . . . . 34 ILE HG13 . 11191 1 313 . 1 1 34 34 ILE HG21 H 1 0.617 0.030 . 1 . . . . 34 ILE HG2 . 11191 1 314 . 1 1 34 34 ILE HG22 H 1 0.617 0.030 . 1 . . . . 34 ILE HG2 . 11191 1 315 . 1 1 34 34 ILE HG23 H 1 0.617 0.030 . 1 . . . . 34 ILE HG2 . 11191 1 316 . 1 1 34 34 ILE C C 13 175.524 0.300 . 1 . . . . 34 ILE C . 11191 1 317 . 1 1 34 34 ILE CA C 13 58.962 0.300 . 1 . . . . 34 ILE CA . 11191 1 318 . 1 1 34 34 ILE CB C 13 42.180 0.300 . 1 . . . . 34 ILE CB . 11191 1 319 . 1 1 34 34 ILE CD1 C 13 14.699 0.300 . 1 . . . . 34 ILE CD1 . 11191 1 320 . 1 1 34 34 ILE CG1 C 13 25.810 0.300 . 1 . . . . 34 ILE CG1 . 11191 1 321 . 1 1 34 34 ILE CG2 C 13 19.148 0.300 . 1 . . . . 34 ILE CG2 . 11191 1 322 . 1 1 34 34 ILE N N 15 119.329 0.300 . 1 . . . . 34 ILE N . 11191 1 323 . 1 1 35 35 VAL H H 1 9.331 0.030 . 1 . . . . 35 VAL H . 11191 1 324 . 1 1 35 35 VAL HA H 1 4.653 0.030 . 1 . . . . 35 VAL HA . 11191 1 325 . 1 1 35 35 VAL HB H 1 2.113 0.030 . 1 . . . . 35 VAL HB . 11191 1 326 . 1 1 35 35 VAL HG11 H 1 0.710 0.030 . 1 . . . . 35 VAL HG1 . 11191 1 327 . 1 1 35 35 VAL HG12 H 1 0.710 0.030 . 1 . . . . 35 VAL HG1 . 11191 1 328 . 1 1 35 35 VAL HG13 H 1 0.710 0.030 . 1 . . . . 35 VAL HG1 . 11191 1 329 . 1 1 35 35 VAL HG21 H 1 0.782 0.030 . 1 . . . . 35 VAL HG2 . 11191 1 330 . 1 1 35 35 VAL HG22 H 1 0.782 0.030 . 1 . . . . 35 VAL HG2 . 11191 1 331 . 1 1 35 35 VAL HG23 H 1 0.782 0.030 . 1 . . . . 35 VAL HG2 . 11191 1 332 . 1 1 35 35 VAL C C 13 174.225 0.300 . 1 . . . . 35 VAL C . 11191 1 333 . 1 1 35 35 VAL CA C 13 59.894 0.300 . 1 . . . . 35 VAL CA . 11191 1 334 . 1 1 35 35 VAL CB C 13 36.079 0.300 . 1 . . . . 35 VAL CB . 11191 1 335 . 1 1 35 35 VAL CG1 C 13 21.592 0.300 . 2 . . . . 35 VAL CG1 . 11191 1 336 . 1 1 35 35 VAL CG2 C 13 18.797 0.300 . 2 . . . . 35 VAL CG2 . 11191 1 337 . 1 1 35 35 VAL N N 15 117.815 0.300 . 1 . . . . 35 VAL N . 11191 1 338 . 1 1 36 36 GLY H H 1 8.595 0.030 . 1 . . . . 36 GLY H . 11191 1 339 . 1 1 36 36 GLY HA2 H 1 4.095 0.030 . 2 . . . . 36 GLY HA2 . 11191 1 340 . 1 1 36 36 GLY HA3 H 1 5.413 0.030 . 2 . . . . 36 GLY HA3 . 11191 1 341 . 1 1 36 36 GLY C C 13 174.786 0.300 . 1 . . . . 36 GLY C . 11191 1 342 . 1 1 36 36 GLY CA C 13 44.838 0.300 . 1 . . . . 36 GLY CA . 11191 1 343 . 1 1 36 36 GLY N N 15 106.429 0.300 . 1 . . . . 36 GLY N . 11191 1 344 . 1 1 37 37 GLY H H 1 7.451 0.030 . 1 . . . . 37 GLY H . 11191 1 345 . 1 1 37 37 GLY HA2 H 1 3.768 0.030 . 2 . . . . 37 GLY HA2 . 11191 1 346 . 1 1 37 37 GLY HA3 H 1 4.672 0.030 . 2 . . . . 37 GLY HA3 . 11191 1 347 . 1 1 37 37 GLY CA C 13 43.355 0.300 . 1 . . . . 37 GLY CA . 11191 1 348 . 1 1 37 37 GLY N N 15 105.260 0.300 . 1 . . . . 37 GLY N . 11191 1 349 . 1 1 38 38 LYS H H 1 8.673 0.030 . 1 . . . . 38 LYS H . 11191 1 350 . 1 1 38 38 LYS HA H 1 4.231 0.030 . 1 . . . . 38 LYS HA . 11191 1 351 . 1 1 38 38 LYS HB2 H 1 1.538 0.030 . 2 . . . . 38 LYS HB2 . 11191 1 352 . 1 1 38 38 LYS HB3 H 1 1.764 0.030 . 2 . . . . 38 LYS HB3 . 11191 1 353 . 1 1 38 38 LYS HD2 H 1 1.578 0.030 . 2 . . . . 38 LYS HD2 . 11191 1 354 . 1 1 38 38 LYS HD3 H 1 1.625 0.030 . 2 . . . . 38 LYS HD3 . 11191 1 355 . 1 1 38 38 LYS HE2 H 1 2.970 0.030 . 1 . . . . 38 LYS HE2 . 11191 1 356 . 1 1 38 38 LYS HE3 H 1 2.970 0.030 . 1 . . . . 38 LYS HE3 . 11191 1 357 . 1 1 38 38 LYS HG2 H 1 1.166 0.030 . 2 . . . . 38 LYS HG2 . 11191 1 358 . 1 1 38 38 LYS HG3 H 1 1.307 0.030 . 2 . . . . 38 LYS HG3 . 11191 1 359 . 1 1 38 38 LYS CA C 13 58.230 0.300 . 1 . . . . 38 LYS CA . 11191 1 360 . 1 1 38 38 LYS CB C 13 32.102 0.300 . 1 . . . . 38 LYS CB . 11191 1 361 . 1 1 38 38 LYS CD C 13 29.162 0.300 . 1 . . . . 38 LYS CD . 11191 1 362 . 1 1 38 38 LYS CE C 13 42.225 0.300 . 1 . . . . 38 LYS CE . 11191 1 363 . 1 1 38 38 LYS CG C 13 23.852 0.300 . 1 . . . . 38 LYS CG . 11191 1 364 . 1 1 39 39 ASP H H 1 9.755 0.030 . 1 . . . . 39 ASP H . 11191 1 365 . 1 1 39 39 ASP HA H 1 4.574 0.030 . 1 . . . . 39 ASP HA . 11191 1 366 . 1 1 39 39 ASP HB2 H 1 2.699 0.030 . 2 . . . . 39 ASP HB2 . 11191 1 367 . 1 1 39 39 ASP HB3 H 1 2.962 0.030 . 2 . . . . 39 ASP HB3 . 11191 1 368 . 1 1 39 39 ASP C C 13 174.523 0.300 . 1 . . . . 39 ASP C . 11191 1 369 . 1 1 39 39 ASP CA C 13 53.504 0.300 . 1 . . . . 39 ASP CA . 11191 1 370 . 1 1 39 39 ASP CB C 13 38.585 0.300 . 1 . . . . 39 ASP CB . 11191 1 371 . 1 1 40 40 THR H H 1 7.864 0.030 . 1 . . . . 40 THR H . 11191 1 372 . 1 1 40 40 THR HA H 1 5.036 0.030 . 1 . . . . 40 THR HA . 11191 1 373 . 1 1 40 40 THR HB H 1 4.468 0.030 . 1 . . . . 40 THR HB . 11191 1 374 . 1 1 40 40 THR HG21 H 1 0.973 0.030 . 1 . . . . 40 THR HG2 . 11191 1 375 . 1 1 40 40 THR HG22 H 1 0.973 0.030 . 1 . . . . 40 THR HG2 . 11191 1 376 . 1 1 40 40 THR HG23 H 1 0.973 0.030 . 1 . . . . 40 THR HG2 . 11191 1 377 . 1 1 40 40 THR C C 13 173.747 0.300 . 1 . . . . 40 THR C . 11191 1 378 . 1 1 40 40 THR CA C 13 59.966 0.300 . 1 . . . . 40 THR CA . 11191 1 379 . 1 1 40 40 THR CB C 13 70.008 0.300 . 1 . . . . 40 THR CB . 11191 1 380 . 1 1 40 40 THR CG2 C 13 21.091 0.300 . 1 . . . . 40 THR CG2 . 11191 1 381 . 1 1 40 40 THR N N 15 112.200 0.300 . 1 . . . . 40 THR N . 11191 1 382 . 1 1 41 41 PRO HA H 1 4.420 0.030 . 1 . . . . 41 PRO HA . 11191 1 383 . 1 1 41 41 PRO HB2 H 1 1.866 0.030 . 2 . . . . 41 PRO HB2 . 11191 1 384 . 1 1 41 41 PRO HB3 H 1 2.450 0.030 . 2 . . . . 41 PRO HB3 . 11191 1 385 . 1 1 41 41 PRO HD2 H 1 3.734 0.030 . 2 . . . . 41 PRO HD2 . 11191 1 386 . 1 1 41 41 PRO HD3 H 1 3.909 0.030 . 2 . . . . 41 PRO HD3 . 11191 1 387 . 1 1 41 41 PRO HG2 H 1 1.959 0.030 . 2 . . . . 41 PRO HG2 . 11191 1 388 . 1 1 41 41 PRO HG3 H 1 2.054 0.030 . 2 . . . . 41 PRO HG3 . 11191 1 389 . 1 1 41 41 PRO C C 13 176.735 0.300 . 1 . . . . 41 PRO C . 11191 1 390 . 1 1 41 41 PRO CA C 13 64.036 0.300 . 1 . . . . 41 PRO CA . 11191 1 391 . 1 1 41 41 PRO CB C 13 32.201 0.300 . 1 . . . . 41 PRO CB . 11191 1 392 . 1 1 41 41 PRO CD C 13 50.950 0.300 . 1 . . . . 41 PRO CD . 11191 1 393 . 1 1 41 41 PRO CG C 13 27.847 0.300 . 1 . . . . 41 PRO CG . 11191 1 394 . 1 1 42 42 LEU H H 1 7.631 0.030 . 1 . . . . 42 LEU H . 11191 1 395 . 1 1 42 42 LEU HA H 1 4.288 0.030 . 1 . . . . 42 LEU HA . 11191 1 396 . 1 1 42 42 LEU HB2 H 1 1.650 0.030 . 2 . . . . 42 LEU HB2 . 11191 1 397 . 1 1 42 42 LEU HB3 H 1 1.698 0.030 . 2 . . . . 42 LEU HB3 . 11191 1 398 . 1 1 42 42 LEU HD11 H 1 0.889 0.030 . 1 . . . . 42 LEU HD1 . 11191 1 399 . 1 1 42 42 LEU HD12 H 1 0.889 0.030 . 1 . . . . 42 LEU HD1 . 11191 1 400 . 1 1 42 42 LEU HD13 H 1 0.889 0.030 . 1 . . . . 42 LEU HD1 . 11191 1 401 . 1 1 42 42 LEU HD21 H 1 0.863 0.030 . 1 . . . . 42 LEU HD2 . 11191 1 402 . 1 1 42 42 LEU HD22 H 1 0.863 0.030 . 1 . . . . 42 LEU HD2 . 11191 1 403 . 1 1 42 42 LEU HD23 H 1 0.863 0.030 . 1 . . . . 42 LEU HD2 . 11191 1 404 . 1 1 42 42 LEU HG H 1 1.720 0.030 . 1 . . . . 42 LEU HG . 11191 1 405 . 1 1 42 42 LEU C C 13 176.980 0.300 . 1 . . . . 42 LEU C . 11191 1 406 . 1 1 42 42 LEU CA C 13 55.527 0.300 . 1 . . . . 42 LEU CA . 11191 1 407 . 1 1 42 42 LEU CB C 13 43.326 0.300 . 1 . . . . 42 LEU CB . 11191 1 408 . 1 1 42 42 LEU CD1 C 13 24.636 0.300 . 2 . . . . 42 LEU CD1 . 11191 1 409 . 1 1 42 42 LEU CD2 C 13 24.464 0.300 . 2 . . . . 42 LEU CD2 . 11191 1 410 . 1 1 42 42 LEU CG C 13 27.571 0.300 . 1 . . . . 42 LEU CG . 11191 1 411 . 1 1 42 42 LEU N N 15 117.456 0.300 . 1 . . . . 42 LEU N . 11191 1 412 . 1 1 43 43 ASN H H 1 7.895 0.030 . 1 . . . . 43 ASN H . 11191 1 413 . 1 1 43 43 ASN HA H 1 4.289 0.030 . 1 . . . . 43 ASN HA . 11191 1 414 . 1 1 43 43 ASN HB2 H 1 2.687 0.030 . 2 . . . . 43 ASN HB2 . 11191 1 415 . 1 1 43 43 ASN HB3 H 1 3.029 0.030 . 2 . . . . 43 ASN HB3 . 11191 1 416 . 1 1 43 43 ASN HD21 H 1 6.861 0.030 . 2 . . . . 43 ASN HD21 . 11191 1 417 . 1 1 43 43 ASN HD22 H 1 7.458 0.030 . 2 . . . . 43 ASN HD22 . 11191 1 418 . 1 1 43 43 ASN C C 13 173.909 0.300 . 1 . . . . 43 ASN C . 11191 1 419 . 1 1 43 43 ASN CA C 13 55.378 0.300 . 1 . . . . 43 ASN CA . 11191 1 420 . 1 1 43 43 ASN CB C 13 38.330 0.300 . 1 . . . . 43 ASN CB . 11191 1 421 . 1 1 43 43 ASN N N 15 117.095 0.300 . 1 . . . . 43 ASN N . 11191 1 422 . 1 1 43 43 ASN ND2 N 15 111.558 0.300 . 1 . . . . 43 ASN ND2 . 11191 1 423 . 1 1 44 44 ALA H H 1 7.649 0.030 . 1 . . . . 44 ALA H . 11191 1 424 . 1 1 44 44 ALA HA H 1 4.274 0.030 . 1 . . . . 44 ALA HA . 11191 1 425 . 1 1 44 44 ALA HB1 H 1 1.167 0.030 . 1 . . . . 44 ALA HB . 11191 1 426 . 1 1 44 44 ALA HB2 H 1 1.167 0.030 . 1 . . . . 44 ALA HB . 11191 1 427 . 1 1 44 44 ALA HB3 H 1 1.167 0.030 . 1 . . . . 44 ALA HB . 11191 1 428 . 1 1 44 44 ALA C C 13 175.102 0.300 . 1 . . . . 44 ALA C . 11191 1 429 . 1 1 44 44 ALA CA C 13 51.584 0.300 . 1 . . . . 44 ALA CA . 11191 1 430 . 1 1 44 44 ALA CB C 13 21.084 0.300 . 1 . . . . 44 ALA CB . 11191 1 431 . 1 1 44 44 ALA N N 15 119.935 0.300 . 1 . . . . 44 ALA N . 11191 1 432 . 1 1 45 45 ILE H H 1 8.529 0.030 . 1 . . . . 45 ILE H . 11191 1 433 . 1 1 45 45 ILE HA H 1 4.507 0.030 . 1 . . . . 45 ILE HA . 11191 1 434 . 1 1 45 45 ILE HB H 1 2.564 0.030 . 1 . . . . 45 ILE HB . 11191 1 435 . 1 1 45 45 ILE HD11 H 1 0.502 0.030 . 1 . . . . 45 ILE HD1 . 11191 1 436 . 1 1 45 45 ILE HD12 H 1 0.502 0.030 . 1 . . . . 45 ILE HD1 . 11191 1 437 . 1 1 45 45 ILE HD13 H 1 0.502 0.030 . 1 . . . . 45 ILE HD1 . 11191 1 438 . 1 1 45 45 ILE HG12 H 1 1.752 0.030 . 2 . . . . 45 ILE HG12 . 11191 1 439 . 1 1 45 45 ILE HG13 H 1 1.203 0.030 . 2 . . . . 45 ILE HG13 . 11191 1 440 . 1 1 45 45 ILE HG21 H 1 0.696 0.030 . 1 . . . . 45 ILE HG2 . 11191 1 441 . 1 1 45 45 ILE HG22 H 1 0.696 0.030 . 1 . . . . 45 ILE HG2 . 11191 1 442 . 1 1 45 45 ILE HG23 H 1 0.696 0.030 . 1 . . . . 45 ILE HG2 . 11191 1 443 . 1 1 45 45 ILE C C 13 175.050 0.300 . 1 . . . . 45 ILE C . 11191 1 444 . 1 1 45 45 ILE CA C 13 58.545 0.300 . 1 . . . . 45 ILE CA . 11191 1 445 . 1 1 45 45 ILE CB C 13 34.266 0.300 . 1 . . . . 45 ILE CB . 11191 1 446 . 1 1 45 45 ILE CD1 C 13 9.335 0.300 . 1 . . . . 45 ILE CD1 . 11191 1 447 . 1 1 45 45 ILE CG1 C 13 26.335 0.300 . 1 . . . . 45 ILE CG1 . 11191 1 448 . 1 1 45 45 ILE CG2 C 13 18.519 0.300 . 1 . . . . 45 ILE CG2 . 11191 1 449 . 1 1 45 45 ILE N N 15 120.664 0.300 . 1 . . . . 45 ILE N . 11191 1 450 . 1 1 46 46 VAL H H 1 8.733 0.030 . 1 . . . . 46 VAL H . 11191 1 451 . 1 1 46 46 VAL HA H 1 4.870 0.030 . 1 . . . . 46 VAL HA . 11191 1 452 . 1 1 46 46 VAL HB H 1 1.735 0.030 . 1 . . . . 46 VAL HB . 11191 1 453 . 1 1 46 46 VAL HG11 H 1 0.829 0.030 . 1 . . . . 46 VAL HG1 . 11191 1 454 . 1 1 46 46 VAL HG12 H 1 0.829 0.030 . 1 . . . . 46 VAL HG1 . 11191 1 455 . 1 1 46 46 VAL HG13 H 1 0.829 0.030 . 1 . . . . 46 VAL HG1 . 11191 1 456 . 1 1 46 46 VAL HG21 H 1 0.820 0.030 . 1 . . . . 46 VAL HG2 . 11191 1 457 . 1 1 46 46 VAL HG22 H 1 0.820 0.030 . 1 . . . . 46 VAL HG2 . 11191 1 458 . 1 1 46 46 VAL HG23 H 1 0.820 0.030 . 1 . . . . 46 VAL HG2 . 11191 1 459 . 1 1 46 46 VAL C C 13 175.804 0.300 . 1 . . . . 46 VAL C . 11191 1 460 . 1 1 46 46 VAL CA C 13 60.004 0.300 . 1 . . . . 46 VAL CA . 11191 1 461 . 1 1 46 46 VAL CB C 13 35.828 0.300 . 1 . . . . 46 VAL CB . 11191 1 462 . 1 1 46 46 VAL CG1 C 13 21.453 0.300 . 2 . . . . 46 VAL CG1 . 11191 1 463 . 1 1 46 46 VAL CG2 C 13 21.975 0.300 . 2 . . . . 46 VAL CG2 . 11191 1 464 . 1 1 46 46 VAL N N 15 126.533 0.300 . 1 . . . . 46 VAL N . 11191 1 465 . 1 1 47 47 ILE H H 1 8.891 0.030 . 1 . . . . 47 ILE H . 11191 1 466 . 1 1 47 47 ILE HA H 1 4.012 0.030 . 1 . . . . 47 ILE HA . 11191 1 467 . 1 1 47 47 ILE HB H 1 2.059 0.030 . 1 . . . . 47 ILE HB . 11191 1 468 . 1 1 47 47 ILE HD11 H 1 0.849 0.030 . 1 . . . . 47 ILE HD1 . 11191 1 469 . 1 1 47 47 ILE HD12 H 1 0.849 0.030 . 1 . . . . 47 ILE HD1 . 11191 1 470 . 1 1 47 47 ILE HD13 H 1 0.849 0.030 . 1 . . . . 47 ILE HD1 . 11191 1 471 . 1 1 47 47 ILE HG12 H 1 1.862 0.030 . 2 . . . . 47 ILE HG12 . 11191 1 472 . 1 1 47 47 ILE HG13 H 1 0.826 0.030 . 2 . . . . 47 ILE HG13 . 11191 1 473 . 1 1 47 47 ILE HG21 H 1 0.661 0.030 . 1 . . . . 47 ILE HG2 . 11191 1 474 . 1 1 47 47 ILE HG22 H 1 0.661 0.030 . 1 . . . . 47 ILE HG2 . 11191 1 475 . 1 1 47 47 ILE HG23 H 1 0.661 0.030 . 1 . . . . 47 ILE HG2 . 11191 1 476 . 1 1 47 47 ILE C C 13 175.682 0.300 . 1 . . . . 47 ILE C . 11191 1 477 . 1 1 47 47 ILE CA C 13 63.487 0.300 . 1 . . . . 47 ILE CA . 11191 1 478 . 1 1 47 47 ILE CB C 13 37.832 0.300 . 1 . . . . 47 ILE CB . 11191 1 479 . 1 1 47 47 ILE CD1 C 13 15.290 0.300 . 1 . . . . 47 ILE CD1 . 11191 1 480 . 1 1 47 47 ILE CG1 C 13 28.524 0.300 . 1 . . . . 47 ILE CG1 . 11191 1 481 . 1 1 47 47 ILE CG2 C 13 18.209 0.300 . 1 . . . . 47 ILE CG2 . 11191 1 482 . 1 1 47 47 ILE N N 15 123.457 0.300 . 1 . . . . 47 ILE N . 11191 1 483 . 1 1 48 48 HIS H H 1 9.715 0.030 . 1 . . . . 48 HIS H . 11191 1 484 . 1 1 48 48 HIS HA H 1 4.715 0.030 . 1 . . . . 48 HIS HA . 11191 1 485 . 1 1 48 48 HIS HB2 H 1 3.069 0.030 . 2 . . . . 48 HIS HB2 . 11191 1 486 . 1 1 48 48 HIS HB3 H 1 2.927 0.030 . 2 . . . . 48 HIS HB3 . 11191 1 487 . 1 1 48 48 HIS HD2 H 1 7.044 0.030 . 1 . . . . 48 HIS HD2 . 11191 1 488 . 1 1 48 48 HIS HE1 H 1 7.805 0.030 . 1 . . . . 48 HIS HE1 . 11191 1 489 . 1 1 48 48 HIS C C 13 173.786 0.300 . 1 . . . . 48 HIS C . 11191 1 490 . 1 1 48 48 HIS CA C 13 57.324 0.300 . 1 . . . . 48 HIS CA . 11191 1 491 . 1 1 48 48 HIS CB C 13 32.453 0.300 . 1 . . . . 48 HIS CB . 11191 1 492 . 1 1 48 48 HIS CD2 C 13 119.449 0.300 . 1 . . . . 48 HIS CD2 . 11191 1 493 . 1 1 48 48 HIS CE1 C 13 138.470 0.300 . 1 . . . . 48 HIS CE1 . 11191 1 494 . 1 1 48 48 HIS N N 15 133.127 0.300 . 1 . . . . 48 HIS N . 11191 1 495 . 1 1 49 49 GLU H H 1 7.437 0.030 . 1 . . . . 49 GLU H . 11191 1 496 . 1 1 49 49 GLU HA H 1 4.214 0.030 . 1 . . . . 49 GLU HA . 11191 1 497 . 1 1 49 49 GLU HB2 H 1 1.566 0.030 . 2 . . . . 49 GLU HB2 . 11191 1 498 . 1 1 49 49 GLU HB3 H 1 1.648 0.030 . 2 . . . . 49 GLU HB3 . 11191 1 499 . 1 1 49 49 GLU HG2 H 1 1.708 0.030 . 2 . . . . 49 GLU HG2 . 11191 1 500 . 1 1 49 49 GLU HG3 H 1 1.754 0.030 . 2 . . . . 49 GLU HG3 . 11191 1 501 . 1 1 49 49 GLU C C 13 173.136 0.300 . 1 . . . . 49 GLU C . 11191 1 502 . 1 1 49 49 GLU CA C 13 55.369 0.300 . 1 . . . . 49 GLU CA . 11191 1 503 . 1 1 49 49 GLU CB C 13 33.765 0.300 . 1 . . . . 49 GLU CB . 11191 1 504 . 1 1 49 49 GLU CG C 13 36.087 0.300 . 1 . . . . 49 GLU CG . 11191 1 505 . 1 1 49 49 GLU N N 15 115.233 0.300 . 1 . . . . 49 GLU N . 11191 1 506 . 1 1 50 50 VAL H H 1 8.501 0.030 . 1 . . . . 50 VAL H . 11191 1 507 . 1 1 50 50 VAL HA H 1 4.026 0.030 . 1 . . . . 50 VAL HA . 11191 1 508 . 1 1 50 50 VAL HB H 1 1.921 0.030 . 1 . . . . 50 VAL HB . 11191 1 509 . 1 1 50 50 VAL HG11 H 1 0.788 0.030 . 1 . . . . 50 VAL HG1 . 11191 1 510 . 1 1 50 50 VAL HG12 H 1 0.788 0.030 . 1 . . . . 50 VAL HG1 . 11191 1 511 . 1 1 50 50 VAL HG13 H 1 0.788 0.030 . 1 . . . . 50 VAL HG1 . 11191 1 512 . 1 1 50 50 VAL HG21 H 1 0.603 0.030 . 1 . . . . 50 VAL HG2 . 11191 1 513 . 1 1 50 50 VAL HG22 H 1 0.603 0.030 . 1 . . . . 50 VAL HG2 . 11191 1 514 . 1 1 50 50 VAL HG23 H 1 0.603 0.030 . 1 . . . . 50 VAL HG2 . 11191 1 515 . 1 1 50 50 VAL C C 13 176.103 0.300 . 1 . . . . 50 VAL C . 11191 1 516 . 1 1 50 50 VAL CA C 13 61.348 0.300 . 1 . . . . 50 VAL CA . 11191 1 517 . 1 1 50 50 VAL CB C 13 31.962 0.300 . 1 . . . . 50 VAL CB . 11191 1 518 . 1 1 50 50 VAL CG1 C 13 21.513 0.300 . 2 . . . . 50 VAL CG1 . 11191 1 519 . 1 1 50 50 VAL CG2 C 13 20.214 0.300 . 2 . . . . 50 VAL CG2 . 11191 1 520 . 1 1 50 50 VAL N N 15 124.122 0.300 . 1 . . . . 50 VAL N . 11191 1 521 . 1 1 51 51 TYR H H 1 8.063 0.030 . 1 . . . . 51 TYR H . 11191 1 522 . 1 1 51 51 TYR HA H 1 4.667 0.030 . 1 . . . . 51 TYR HA . 11191 1 523 . 1 1 51 51 TYR HB2 H 1 2.655 0.030 . 2 . . . . 51 TYR HB2 . 11191 1 524 . 1 1 51 51 TYR HB3 H 1 3.296 0.030 . 2 . . . . 51 TYR HB3 . 11191 1 525 . 1 1 51 51 TYR HD1 H 1 6.917 0.030 . 1 . . . . 51 TYR HD1 . 11191 1 526 . 1 1 51 51 TYR HD2 H 1 6.917 0.030 . 1 . . . . 51 TYR HD2 . 11191 1 527 . 1 1 51 51 TYR HE1 H 1 6.724 0.030 . 1 . . . . 51 TYR HE1 . 11191 1 528 . 1 1 51 51 TYR HE2 H 1 6.724 0.030 . 1 . . . . 51 TYR HE2 . 11191 1 529 . 1 1 51 51 TYR C C 13 177.630 0.300 . 1 . . . . 51 TYR C . 11191 1 530 . 1 1 51 51 TYR CA C 13 57.069 0.300 . 1 . . . . 51 TYR CA . 11191 1 531 . 1 1 51 51 TYR CB C 13 37.480 0.300 . 1 . . . . 51 TYR CB . 11191 1 532 . 1 1 51 51 TYR CD1 C 13 131.547 0.300 . 1 . . . . 51 TYR CD1 . 11191 1 533 . 1 1 51 51 TYR CD2 C 13 131.547 0.300 . 1 . . . . 51 TYR CD2 . 11191 1 534 . 1 1 51 51 TYR CE1 C 13 118.325 0.300 . 1 . . . . 51 TYR CE1 . 11191 1 535 . 1 1 51 51 TYR CE2 C 13 118.325 0.300 . 1 . . . . 51 TYR CE2 . 11191 1 536 . 1 1 51 51 TYR N N 15 126.689 0.300 . 1 . . . . 51 TYR N . 11191 1 537 . 1 1 52 52 GLU H H 1 9.088 0.030 . 1 . . . . 52 GLU H . 11191 1 538 . 1 1 52 52 GLU HA H 1 3.926 0.030 . 1 . . . . 52 GLU HA . 11191 1 539 . 1 1 52 52 GLU HB2 H 1 2.051 0.030 . 1 . . . . 52 GLU HB2 . 11191 1 540 . 1 1 52 52 GLU HB3 H 1 2.051 0.030 . 1 . . . . 52 GLU HB3 . 11191 1 541 . 1 1 52 52 GLU HG2 H 1 2.332 0.030 . 2 . . . . 52 GLU HG2 . 11191 1 542 . 1 1 52 52 GLU HG3 H 1 2.391 0.030 . 2 . . . . 52 GLU HG3 . 11191 1 543 . 1 1 52 52 GLU C C 13 176.822 0.300 . 1 . . . . 52 GLU C . 11191 1 544 . 1 1 52 52 GLU CA C 13 59.236 0.300 . 1 . . . . 52 GLU CA . 11191 1 545 . 1 1 52 52 GLU CB C 13 29.941 0.300 . 1 . . . . 52 GLU CB . 11191 1 546 . 1 1 52 52 GLU CG C 13 36.464 0.300 . 1 . . . . 52 GLU CG . 11191 1 547 . 1 1 52 52 GLU N N 15 123.383 0.300 . 1 . . . . 52 GLU N . 11191 1 548 . 1 1 53 53 GLU H H 1 8.546 0.030 . 1 . . . . 53 GLU H . 11191 1 549 . 1 1 53 53 GLU HA H 1 4.303 0.030 . 1 . . . . 53 GLU HA . 11191 1 550 . 1 1 53 53 GLU HB2 H 1 2.066 0.030 . 2 . . . . 53 GLU HB2 . 11191 1 551 . 1 1 53 53 GLU HB3 H 1 2.171 0.030 . 2 . . . . 53 GLU HB3 . 11191 1 552 . 1 1 53 53 GLU HG2 H 1 2.186 0.030 . 2 . . . . 53 GLU HG2 . 11191 1 553 . 1 1 53 53 GLU HG3 H 1 2.256 0.030 . 2 . . . . 53 GLU HG3 . 11191 1 554 . 1 1 53 53 GLU C C 13 176.331 0.300 . 1 . . . . 53 GLU C . 11191 1 555 . 1 1 53 53 GLU CA C 13 56.768 0.300 . 1 . . . . 53 GLU CA . 11191 1 556 . 1 1 53 53 GLU CB C 13 29.046 0.300 . 1 . . . . 53 GLU CB . 11191 1 557 . 1 1 53 53 GLU CG C 13 36.357 0.300 . 1 . . . . 53 GLU CG . 11191 1 558 . 1 1 53 53 GLU N N 15 115.137 0.300 . 1 . . . . 53 GLU N . 11191 1 559 . 1 1 54 54 GLY H H 1 7.597 0.030 . 1 . . . . 54 GLY H . 11191 1 560 . 1 1 54 54 GLY HA2 H 1 4.114 0.030 . 2 . . . . 54 GLY HA2 . 11191 1 561 . 1 1 54 54 GLY HA3 H 1 4.255 0.030 . 2 . . . . 54 GLY HA3 . 11191 1 562 . 1 1 54 54 GLY C C 13 173.821 0.300 . 1 . . . . 54 GLY C . 11191 1 563 . 1 1 54 54 GLY CA C 13 44.948 0.300 . 1 . . . . 54 GLY CA . 11191 1 564 . 1 1 54 54 GLY N N 15 107.041 0.300 . 1 . . . . 54 GLY N . 11191 1 565 . 1 1 55 55 ALA H H 1 8.497 0.030 . 1 . . . . 55 ALA H . 11191 1 566 . 1 1 55 55 ALA HA H 1 4.103 0.030 . 1 . . . . 55 ALA HA . 11191 1 567 . 1 1 55 55 ALA HB1 H 1 1.491 0.030 . 1 . . . . 55 ALA HB . 11191 1 568 . 1 1 55 55 ALA HB2 H 1 1.491 0.030 . 1 . . . . 55 ALA HB . 11191 1 569 . 1 1 55 55 ALA HB3 H 1 1.491 0.030 . 1 . . . . 55 ALA HB . 11191 1 570 . 1 1 55 55 ALA C C 13 180.666 0.300 . 1 . . . . 55 ALA C . 11191 1 571 . 1 1 55 55 ALA CA C 13 54.799 0.300 . 1 . . . . 55 ALA CA . 11191 1 572 . 1 1 55 55 ALA CB C 13 20.384 0.300 . 1 . . . . 55 ALA CB . 11191 1 573 . 1 1 55 55 ALA N N 15 119.008 0.300 . 1 . . . . 55 ALA N . 11191 1 574 . 1 1 56 56 ALA H H 1 8.681 0.030 . 1 . . . . 56 ALA H . 11191 1 575 . 1 1 56 56 ALA HA H 1 4.132 0.030 . 1 . . . . 56 ALA HA . 11191 1 576 . 1 1 56 56 ALA HB1 H 1 1.412 0.030 . 1 . . . . 56 ALA HB . 11191 1 577 . 1 1 56 56 ALA HB2 H 1 1.412 0.030 . 1 . . . . 56 ALA HB . 11191 1 578 . 1 1 56 56 ALA HB3 H 1 1.412 0.030 . 1 . . . . 56 ALA HB . 11191 1 579 . 1 1 56 56 ALA C C 13 180.982 0.300 . 1 . . . . 56 ALA C . 11191 1 580 . 1 1 56 56 ALA CA C 13 55.356 0.300 . 1 . . . . 56 ALA CA . 11191 1 581 . 1 1 56 56 ALA CB C 13 18.684 0.300 . 1 . . . . 56 ALA CB . 11191 1 582 . 1 1 56 56 ALA N N 15 120.064 0.300 . 1 . . . . 56 ALA N . 11191 1 583 . 1 1 57 57 ALA H H 1 9.240 0.030 . 1 . . . . 57 ALA H . 11191 1 584 . 1 1 57 57 ALA HA H 1 4.046 0.030 . 1 . . . . 57 ALA HA . 11191 1 585 . 1 1 57 57 ALA HB1 H 1 1.524 0.030 . 1 . . . . 57 ALA HB . 11191 1 586 . 1 1 57 57 ALA HB2 H 1 1.524 0.030 . 1 . . . . 57 ALA HB . 11191 1 587 . 1 1 57 57 ALA HB3 H 1 1.524 0.030 . 1 . . . . 57 ALA HB . 11191 1 588 . 1 1 57 57 ALA C C 13 179.999 0.300 . 1 . . . . 57 ALA C . 11191 1 589 . 1 1 57 57 ALA CA C 13 55.199 0.300 . 1 . . . . 57 ALA CA . 11191 1 590 . 1 1 57 57 ALA CB C 13 18.748 0.300 . 1 . . . . 57 ALA CB . 11191 1 591 . 1 1 57 57 ALA N N 15 126.997 0.300 . 1 . . . . 57 ALA N . 11191 1 592 . 1 1 58 58 ARG H H 1 7.760 0.030 . 1 . . . . 58 ARG H . 11191 1 593 . 1 1 58 58 ARG HA H 1 4.013 0.030 . 1 . . . . 58 ARG HA . 11191 1 594 . 1 1 58 58 ARG HB2 H 1 1.891 0.030 . 1 . . . . 58 ARG HB2 . 11191 1 595 . 1 1 58 58 ARG HB3 H 1 1.891 0.030 . 1 . . . . 58 ARG HB3 . 11191 1 596 . 1 1 58 58 ARG HD2 H 1 3.207 0.030 . 2 . . . . 58 ARG HD2 . 11191 1 597 . 1 1 58 58 ARG HD3 H 1 3.263 0.030 . 2 . . . . 58 ARG HD3 . 11191 1 598 . 1 1 58 58 ARG HG2 H 1 1.657 0.030 . 2 . . . . 58 ARG HG2 . 11191 1 599 . 1 1 58 58 ARG HG3 H 1 1.801 0.030 . 2 . . . . 58 ARG HG3 . 11191 1 600 . 1 1 58 58 ARG C C 13 178.349 0.300 . 1 . . . . 58 ARG C . 11191 1 601 . 1 1 58 58 ARG CA C 13 59.017 0.300 . 1 . . . . 58 ARG CA . 11191 1 602 . 1 1 58 58 ARG CB C 13 30.081 0.300 . 1 . . . . 58 ARG CB . 11191 1 603 . 1 1 58 58 ARG CD C 13 43.334 0.300 . 1 . . . . 58 ARG CD . 11191 1 604 . 1 1 58 58 ARG CG C 13 27.552 0.300 . 1 . . . . 58 ARG CG . 11191 1 605 . 1 1 58 58 ARG N N 15 117.955 0.300 . 1 . . . . 58 ARG N . 11191 1 606 . 1 1 59 59 ASP H H 1 7.989 0.030 . 1 . . . . 59 ASP H . 11191 1 607 . 1 1 59 59 ASP HA H 1 4.416 0.030 . 1 . . . . 59 ASP HA . 11191 1 608 . 1 1 59 59 ASP HB2 H 1 2.700 0.030 . 2 . . . . 59 ASP HB2 . 11191 1 609 . 1 1 59 59 ASP HB3 H 1 2.831 0.030 . 2 . . . . 59 ASP HB3 . 11191 1 610 . 1 1 59 59 ASP C C 13 177.823 0.300 . 1 . . . . 59 ASP C . 11191 1 611 . 1 1 59 59 ASP CA C 13 57.179 0.300 . 1 . . . . 59 ASP CA . 11191 1 612 . 1 1 59 59 ASP CB C 13 43.670 0.300 . 1 . . . . 59 ASP CB . 11191 1 613 . 1 1 59 59 ASP N N 15 118.706 0.300 . 1 . . . . 59 ASP N . 11191 1 614 . 1 1 60 60 GLY H H 1 7.514 0.030 . 1 . . . . 60 GLY H . 11191 1 615 . 1 1 60 60 GLY HA2 H 1 3.939 0.030 . 2 . . . . 60 GLY HA2 . 11191 1 616 . 1 1 60 60 GLY HA3 H 1 4.057 0.030 . 2 . . . . 60 GLY HA3 . 11191 1 617 . 1 1 60 60 GLY C C 13 174.734 0.300 . 1 . . . . 60 GLY C . 11191 1 618 . 1 1 60 60 GLY CA C 13 46.730 0.300 . 1 . . . . 60 GLY CA . 11191 1 619 . 1 1 60 60 GLY N N 15 102.864 0.300 . 1 . . . . 60 GLY N . 11191 1 620 . 1 1 61 61 ARG H H 1 7.871 0.030 . 1 . . . . 61 ARG H . 11191 1 621 . 1 1 61 61 ARG HA H 1 4.318 0.030 . 1 . . . . 61 ARG HA . 11191 1 622 . 1 1 61 61 ARG HB2 H 1 1.506 0.030 . 2 . . . . 61 ARG HB2 . 11191 1 623 . 1 1 61 61 ARG HB3 H 1 1.814 0.030 . 2 . . . . 61 ARG HB3 . 11191 1 624 . 1 1 61 61 ARG HD2 H 1 2.996 0.030 . 2 . . . . 61 ARG HD2 . 11191 1 625 . 1 1 61 61 ARG HD3 H 1 3.141 0.030 . 2 . . . . 61 ARG HD3 . 11191 1 626 . 1 1 61 61 ARG HE H 1 8.891 0.030 . 1 . . . . 61 ARG HE . 11191 1 627 . 1 1 61 61 ARG HG2 H 1 1.623 0.030 . 2 . . . . 61 ARG HG2 . 11191 1 628 . 1 1 61 61 ARG HG3 H 1 1.703 0.030 . 2 . . . . 61 ARG HG3 . 11191 1 629 . 1 1 61 61 ARG C C 13 176.682 0.300 . 1 . . . . 61 ARG C . 11191 1 630 . 1 1 61 61 ARG CA C 13 58.688 0.300 . 1 . . . . 61 ARG CA . 11191 1 631 . 1 1 61 61 ARG CB C 13 33.326 0.300 . 1 . . . . 61 ARG CB . 11191 1 632 . 1 1 61 61 ARG CD C 13 44.608 0.300 . 1 . . . . 61 ARG CD . 11191 1 633 . 1 1 61 61 ARG CG C 13 27.049 0.300 . 1 . . . . 61 ARG CG . 11191 1 634 . 1 1 61 61 ARG N N 15 118.712 0.300 . 1 . . . . 61 ARG N . 11191 1 635 . 1 1 61 61 ARG NE N 15 85.684 0.300 . 1 . . . . 61 ARG NE . 11191 1 636 . 1 1 62 62 LEU H H 1 9.244 0.030 . 1 . . . . 62 LEU H . 11191 1 637 . 1 1 62 62 LEU HA H 1 3.886 0.030 . 1 . . . . 62 LEU HA . 11191 1 638 . 1 1 62 62 LEU HB2 H 1 1.521 0.030 . 2 . . . . 62 LEU HB2 . 11191 1 639 . 1 1 62 62 LEU HB3 H 1 1.085 0.030 . 2 . . . . 62 LEU HB3 . 11191 1 640 . 1 1 62 62 LEU HD11 H 1 0.700 0.030 . 1 . . . . 62 LEU HD1 . 11191 1 641 . 1 1 62 62 LEU HD12 H 1 0.700 0.030 . 1 . . . . 62 LEU HD1 . 11191 1 642 . 1 1 62 62 LEU HD13 H 1 0.700 0.030 . 1 . . . . 62 LEU HD1 . 11191 1 643 . 1 1 62 62 LEU HD21 H 1 0.777 0.030 . 1 . . . . 62 LEU HD2 . 11191 1 644 . 1 1 62 62 LEU HD22 H 1 0.777 0.030 . 1 . . . . 62 LEU HD2 . 11191 1 645 . 1 1 62 62 LEU HD23 H 1 0.777 0.030 . 1 . . . . 62 LEU HD2 . 11191 1 646 . 1 1 62 62 LEU HG H 1 1.615 0.030 . 1 . . . . 62 LEU HG . 11191 1 647 . 1 1 62 62 LEU C C 13 175.734 0.300 . 1 . . . . 62 LEU C . 11191 1 648 . 1 1 62 62 LEU CA C 13 55.593 0.300 . 1 . . . . 62 LEU CA . 11191 1 649 . 1 1 62 62 LEU CB C 13 43.154 0.300 . 1 . . . . 62 LEU CB . 11191 1 650 . 1 1 62 62 LEU CD1 C 13 25.976 0.300 . 2 . . . . 62 LEU CD1 . 11191 1 651 . 1 1 62 62 LEU CD2 C 13 23.334 0.300 . 2 . . . . 62 LEU CD2 . 11191 1 652 . 1 1 62 62 LEU CG C 13 26.833 0.300 . 1 . . . . 62 LEU CG . 11191 1 653 . 1 1 62 62 LEU N N 15 119.331 0.300 . 1 . . . . 62 LEU N . 11191 1 654 . 1 1 63 63 TRP H H 1 8.864 0.030 . 1 . . . . 63 TRP H . 11191 1 655 . 1 1 63 63 TRP HA H 1 4.948 0.030 . 1 . . . . 63 TRP HA . 11191 1 656 . 1 1 63 63 TRP HB2 H 1 3.095 0.030 . 2 . . . . 63 TRP HB2 . 11191 1 657 . 1 1 63 63 TRP HB3 H 1 3.174 0.030 . 2 . . . . 63 TRP HB3 . 11191 1 658 . 1 1 63 63 TRP HD1 H 1 6.973 0.030 . 1 . . . . 63 TRP HD1 . 11191 1 659 . 1 1 63 63 TRP HE1 H 1 9.802 0.030 . 1 . . . . 63 TRP HE1 . 11191 1 660 . 1 1 63 63 TRP HE3 H 1 7.507 0.030 . 1 . . . . 63 TRP HE3 . 11191 1 661 . 1 1 63 63 TRP HH2 H 1 7.147 0.030 . 1 . . . . 63 TRP HH2 . 11191 1 662 . 1 1 63 63 TRP HZ2 H 1 7.421 0.030 . 1 . . . . 63 TRP HZ2 . 11191 1 663 . 1 1 63 63 TRP HZ3 H 1 6.968 0.030 . 1 . . . . 63 TRP HZ3 . 11191 1 664 . 1 1 63 63 TRP C C 13 176.138 0.300 . 1 . . . . 63 TRP C . 11191 1 665 . 1 1 63 63 TRP CA C 13 52.891 0.300 . 1 . . . . 63 TRP CA . 11191 1 666 . 1 1 63 63 TRP CB C 13 33.950 0.300 . 1 . . . . 63 TRP CB . 11191 1 667 . 1 1 63 63 TRP CD1 C 13 124.449 0.300 . 1 . . . . 63 TRP CD1 . 11191 1 668 . 1 1 63 63 TRP CE3 C 13 121.106 0.300 . 1 . . . . 63 TRP CE3 . 11191 1 669 . 1 1 63 63 TRP CH2 C 13 124.259 0.300 . 1 . . . . 63 TRP CH2 . 11191 1 670 . 1 1 63 63 TRP CZ2 C 13 114.134 0.300 . 1 . . . . 63 TRP CZ2 . 11191 1 671 . 1 1 63 63 TRP CZ3 C 13 121.102 0.300 . 1 . . . . 63 TRP CZ3 . 11191 1 672 . 1 1 63 63 TRP N N 15 120.788 0.300 . 1 . . . . 63 TRP N . 11191 1 673 . 1 1 63 63 TRP NE1 N 15 126.443 0.300 . 1 . . . . 63 TRP NE1 . 11191 1 674 . 1 1 64 64 ALA H H 1 8.338 0.030 . 1 . . . . 64 ALA H . 11191 1 675 . 1 1 64 64 ALA HA H 1 3.730 0.030 . 1 . . . . 64 ALA HA . 11191 1 676 . 1 1 64 64 ALA HB1 H 1 1.184 0.030 . 1 . . . . 64 ALA HB . 11191 1 677 . 1 1 64 64 ALA HB2 H 1 1.184 0.030 . 1 . . . . 64 ALA HB . 11191 1 678 . 1 1 64 64 ALA HB3 H 1 1.184 0.030 . 1 . . . . 64 ALA HB . 11191 1 679 . 1 1 64 64 ALA C C 13 178.774 0.300 . 1 . . . . 64 ALA C . 11191 1 680 . 1 1 64 64 ALA CA C 13 53.587 0.300 . 1 . . . . 64 ALA CA . 11191 1 681 . 1 1 64 64 ALA CB C 13 17.682 0.300 . 1 . . . . 64 ALA CB . 11191 1 682 . 1 1 64 64 ALA N N 15 121.933 0.300 . 1 . . . . 64 ALA N . 11191 1 683 . 1 1 65 65 GLY H H 1 9.342 0.030 . 1 . . . . 65 GLY H . 11191 1 684 . 1 1 65 65 GLY HA2 H 1 3.433 0.030 . 2 . . . . 65 GLY HA2 . 11191 1 685 . 1 1 65 65 GLY HA3 H 1 4.522 0.030 . 2 . . . . 65 GLY HA3 . 11191 1 686 . 1 1 65 65 GLY C C 13 174.804 0.300 . 1 . . . . 65 GLY C . 11191 1 687 . 1 1 65 65 GLY CA C 13 45.013 0.300 . 1 . . . . 65 GLY CA . 11191 1 688 . 1 1 65 65 GLY N N 15 112.966 0.300 . 1 . . . . 65 GLY N . 11191 1 689 . 1 1 66 66 ASP H H 1 8.034 0.030 . 1 . . . . 66 ASP H . 11191 1 690 . 1 1 66 66 ASP HA H 1 4.714 0.030 . 1 . . . . 66 ASP HA . 11191 1 691 . 1 1 66 66 ASP HB2 H 1 2.264 0.030 . 2 . . . . 66 ASP HB2 . 11191 1 692 . 1 1 66 66 ASP HB3 H 1 2.800 0.030 . 2 . . . . 66 ASP HB3 . 11191 1 693 . 1 1 66 66 ASP C C 13 175.102 0.300 . 1 . . . . 66 ASP C . 11191 1 694 . 1 1 66 66 ASP CA C 13 56.082 0.300 . 1 . . . . 66 ASP CA . 11191 1 695 . 1 1 66 66 ASP CB C 13 40.613 0.300 . 1 . . . . 66 ASP CB . 11191 1 696 . 1 1 66 66 ASP N N 15 124.114 0.300 . 1 . . . . 66 ASP N . 11191 1 697 . 1 1 67 67 GLN H H 1 8.906 0.030 . 1 . . . . 67 GLN H . 11191 1 698 . 1 1 67 67 GLN HA H 1 5.297 0.030 . 1 . . . . 67 GLN HA . 11191 1 699 . 1 1 67 67 GLN HB2 H 1 2.174 0.030 . 1 . . . . 67 GLN HB2 . 11191 1 700 . 1 1 67 67 GLN HB3 H 1 2.174 0.030 . 1 . . . . 67 GLN HB3 . 11191 1 701 . 1 1 67 67 GLN HE21 H 1 6.733 0.030 . 2 . . . . 67 GLN HE21 . 11191 1 702 . 1 1 67 67 GLN HE22 H 1 7.617 0.030 . 2 . . . . 67 GLN HE22 . 11191 1 703 . 1 1 67 67 GLN HG2 H 1 2.167 0.030 . 2 . . . . 67 GLN HG2 . 11191 1 704 . 1 1 67 67 GLN HG3 H 1 2.666 0.030 . 2 . . . . 67 GLN HG3 . 11191 1 705 . 1 1 67 67 GLN C C 13 176.366 0.300 . 1 . . . . 67 GLN C . 11191 1 706 . 1 1 67 67 GLN CA C 13 54.382 0.300 . 1 . . . . 67 GLN CA . 11191 1 707 . 1 1 67 67 GLN CB C 13 30.625 0.300 . 1 . . . . 67 GLN CB . 11191 1 708 . 1 1 67 67 GLN CG C 13 34.077 0.300 . 1 . . . . 67 GLN CG . 11191 1 709 . 1 1 67 67 GLN N N 15 120.239 0.300 . 1 . . . . 67 GLN N . 11191 1 710 . 1 1 67 67 GLN NE2 N 15 110.071 0.300 . 1 . . . . 67 GLN NE2 . 11191 1 711 . 1 1 68 68 ILE H H 1 8.553 0.030 . 1 . . . . 68 ILE H . 11191 1 712 . 1 1 68 68 ILE HA H 1 4.421 0.030 . 1 . . . . 68 ILE HA . 11191 1 713 . 1 1 68 68 ILE HB H 1 1.565 0.030 . 1 . . . . 68 ILE HB . 11191 1 714 . 1 1 68 68 ILE HD11 H 1 0.619 0.030 . 1 . . . . 68 ILE HD1 . 11191 1 715 . 1 1 68 68 ILE HD12 H 1 0.619 0.030 . 1 . . . . 68 ILE HD1 . 11191 1 716 . 1 1 68 68 ILE HD13 H 1 0.619 0.030 . 1 . . . . 68 ILE HD1 . 11191 1 717 . 1 1 68 68 ILE HG12 H 1 1.498 0.030 . 2 . . . . 68 ILE HG12 . 11191 1 718 . 1 1 68 68 ILE HG13 H 1 0.810 0.030 . 2 . . . . 68 ILE HG13 . 11191 1 719 . 1 1 68 68 ILE HG21 H 1 0.729 0.030 . 1 . . . . 68 ILE HG2 . 11191 1 720 . 1 1 68 68 ILE HG22 H 1 0.729 0.030 . 1 . . . . 68 ILE HG2 . 11191 1 721 . 1 1 68 68 ILE HG23 H 1 0.729 0.030 . 1 . . . . 68 ILE HG2 . 11191 1 722 . 1 1 68 68 ILE C C 13 174.751 0.300 . 1 . . . . 68 ILE C . 11191 1 723 . 1 1 68 68 ILE CA C 13 60.717 0.300 . 1 . . . . 68 ILE CA . 11191 1 724 . 1 1 68 68 ILE CB C 13 38.783 0.300 . 1 . . . . 68 ILE CB . 11191 1 725 . 1 1 68 68 ILE CD1 C 13 12.983 0.300 . 1 . . . . 68 ILE CD1 . 11191 1 726 . 1 1 68 68 ILE CG1 C 13 26.726 0.300 . 1 . . . . 68 ILE CG1 . 11191 1 727 . 1 1 68 68 ILE CG2 C 13 19.259 0.300 . 1 . . . . 68 ILE CG2 . 11191 1 728 . 1 1 68 68 ILE N N 15 121.552 0.300 . 1 . . . . 68 ILE N . 11191 1 729 . 1 1 69 69 LEU H H 1 9.128 0.030 . 1 . . . . 69 LEU H . 11191 1 730 . 1 1 69 69 LEU HA H 1 4.282 0.030 . 1 . . . . 69 LEU HA . 11191 1 731 . 1 1 69 69 LEU HB2 H 1 1.362 0.030 . 2 . . . . 69 LEU HB2 . 11191 1 732 . 1 1 69 69 LEU HB3 H 1 1.397 0.030 . 2 . . . . 69 LEU HB3 . 11191 1 733 . 1 1 69 69 LEU HD11 H 1 0.789 0.030 . 1 . . . . 69 LEU HD1 . 11191 1 734 . 1 1 69 69 LEU HD12 H 1 0.789 0.030 . 1 . . . . 69 LEU HD1 . 11191 1 735 . 1 1 69 69 LEU HD13 H 1 0.789 0.030 . 1 . . . . 69 LEU HD1 . 11191 1 736 . 1 1 69 69 LEU HD21 H 1 0.769 0.030 . 1 . . . . 69 LEU HD2 . 11191 1 737 . 1 1 69 69 LEU HD22 H 1 0.769 0.030 . 1 . . . . 69 LEU HD2 . 11191 1 738 . 1 1 69 69 LEU HD23 H 1 0.769 0.030 . 1 . . . . 69 LEU HD2 . 11191 1 739 . 1 1 69 69 LEU HG H 1 1.515 0.030 . 1 . . . . 69 LEU HG . 11191 1 740 . 1 1 69 69 LEU C C 13 176.419 0.300 . 1 . . . . 69 LEU C . 11191 1 741 . 1 1 69 69 LEU CA C 13 56.027 0.300 . 1 . . . . 69 LEU CA . 11191 1 742 . 1 1 69 69 LEU CB C 13 42.082 0.300 . 1 . . . . 69 LEU CB . 11191 1 743 . 1 1 69 69 LEU CD1 C 13 25.898 0.300 . 2 . . . . 69 LEU CD1 . 11191 1 744 . 1 1 69 69 LEU CD2 C 13 23.905 0.300 . 2 . . . . 69 LEU CD2 . 11191 1 745 . 1 1 69 69 LEU CG C 13 28.165 0.300 . 1 . . . . 69 LEU CG . 11191 1 746 . 1 1 69 69 LEU N N 15 126.233 0.300 . 1 . . . . 69 LEU N . 11191 1 747 . 1 1 70 70 GLU H H 1 7.499 0.030 . 1 . . . . 70 GLU H . 11191 1 748 . 1 1 70 70 GLU HA H 1 5.112 0.030 . 1 . . . . 70 GLU HA . 11191 1 749 . 1 1 70 70 GLU HB2 H 1 1.991 0.030 . 2 . . . . 70 GLU HB2 . 11191 1 750 . 1 1 70 70 GLU HB3 H 1 1.718 0.030 . 2 . . . . 70 GLU HB3 . 11191 1 751 . 1 1 70 70 GLU HG2 H 1 1.916 0.030 . 2 . . . . 70 GLU HG2 . 11191 1 752 . 1 1 70 70 GLU HG3 H 1 1.995 0.030 . 2 . . . . 70 GLU HG3 . 11191 1 753 . 1 1 70 70 GLU C C 13 174.804 0.300 . 1 . . . . 70 GLU C . 11191 1 754 . 1 1 70 70 GLU CA C 13 55.236 0.300 . 1 . . . . 70 GLU CA . 11191 1 755 . 1 1 70 70 GLU CB C 13 34.553 0.300 . 1 . . . . 70 GLU CB . 11191 1 756 . 1 1 70 70 GLU CG C 13 36.745 0.300 . 1 . . . . 70 GLU CG . 11191 1 757 . 1 1 70 70 GLU N N 15 116.049 0.300 . 1 . . . . 70 GLU N . 11191 1 758 . 1 1 71 71 VAL H H 1 8.473 0.030 . 1 . . . . 71 VAL H . 11191 1 759 . 1 1 71 71 VAL HA H 1 4.887 0.030 . 1 . . . . 71 VAL HA . 11191 1 760 . 1 1 71 71 VAL HB H 1 1.767 0.030 . 1 . . . . 71 VAL HB . 11191 1 761 . 1 1 71 71 VAL HG11 H 1 0.822 0.030 . 1 . . . . 71 VAL HG1 . 11191 1 762 . 1 1 71 71 VAL HG12 H 1 0.822 0.030 . 1 . . . . 71 VAL HG1 . 11191 1 763 . 1 1 71 71 VAL HG13 H 1 0.822 0.030 . 1 . . . . 71 VAL HG1 . 11191 1 764 . 1 1 71 71 VAL HG21 H 1 0.819 0.030 . 1 . . . . 71 VAL HG2 . 11191 1 765 . 1 1 71 71 VAL HG22 H 1 0.819 0.030 . 1 . . . . 71 VAL HG2 . 11191 1 766 . 1 1 71 71 VAL HG23 H 1 0.819 0.030 . 1 . . . . 71 VAL HG2 . 11191 1 767 . 1 1 71 71 VAL C C 13 174.646 0.300 . 1 . . . . 71 VAL C . 11191 1 768 . 1 1 71 71 VAL CA C 13 59.648 0.300 . 1 . . . . 71 VAL CA . 11191 1 769 . 1 1 71 71 VAL CB C 13 34.576 0.300 . 1 . . . . 71 VAL CB . 11191 1 770 . 1 1 71 71 VAL CG1 C 13 20.326 0.300 . 2 . . . . 71 VAL CG1 . 11191 1 771 . 1 1 71 71 VAL CG2 C 13 22.453 0.300 . 2 . . . . 71 VAL CG2 . 11191 1 772 . 1 1 71 71 VAL N N 15 120.636 0.300 . 1 . . . . 71 VAL N . 11191 1 773 . 1 1 72 72 ASN H H 1 9.805 0.030 . 1 . . . . 72 ASN H . 11191 1 774 . 1 1 72 72 ASN HA H 1 4.369 0.030 . 1 . . . . 72 ASN HA . 11191 1 775 . 1 1 72 72 ASN HB2 H 1 2.550 0.030 . 2 . . . . 72 ASN HB2 . 11191 1 776 . 1 1 72 72 ASN HB3 H 1 3.324 0.030 . 2 . . . . 72 ASN HB3 . 11191 1 777 . 1 1 72 72 ASN HD21 H 1 6.903 0.030 . 2 . . . . 72 ASN HD21 . 11191 1 778 . 1 1 72 72 ASN HD22 H 1 8.052 0.030 . 2 . . . . 72 ASN HD22 . 11191 1 779 . 1 1 72 72 ASN C C 13 174.558 0.300 . 1 . . . . 72 ASN C . 11191 1 780 . 1 1 72 72 ASN CA C 13 54.793 0.300 . 1 . . . . 72 ASN CA . 11191 1 781 . 1 1 72 72 ASN CB C 13 38.011 0.300 . 1 . . . . 72 ASN CB . 11191 1 782 . 1 1 72 72 ASN N N 15 127.814 0.300 . 1 . . . . 72 ASN N . 11191 1 783 . 1 1 72 72 ASN ND2 N 15 111.450 0.300 . 1 . . . . 72 ASN ND2 . 11191 1 784 . 1 1 73 73 GLY H H 1 8.657 0.030 . 1 . . . . 73 GLY H . 11191 1 785 . 1 1 73 73 GLY HA2 H 1 3.643 0.030 . 2 . . . . 73 GLY HA2 . 11191 1 786 . 1 1 73 73 GLY HA3 H 1 4.109 0.030 . 2 . . . . 73 GLY HA3 . 11191 1 787 . 1 1 73 73 GLY C C 13 173.758 0.300 . 1 . . . . 73 GLY C . 11191 1 788 . 1 1 73 73 GLY CA C 13 45.465 0.300 . 1 . . . . 73 GLY CA . 11191 1 789 . 1 1 73 73 GLY N N 15 103.581 0.300 . 1 . . . . 73 GLY N . 11191 1 790 . 1 1 74 74 VAL H H 1 8.329 0.030 . 1 . . . . 74 VAL H . 11191 1 791 . 1 1 74 74 VAL HA H 1 3.949 0.030 . 1 . . . . 74 VAL HA . 11191 1 792 . 1 1 74 74 VAL HB H 1 2.284 0.030 . 1 . . . . 74 VAL HB . 11191 1 793 . 1 1 74 74 VAL HG11 H 1 0.797 0.030 . 1 . . . . 74 VAL HG1 . 11191 1 794 . 1 1 74 74 VAL HG12 H 1 0.797 0.030 . 1 . . . . 74 VAL HG1 . 11191 1 795 . 1 1 74 74 VAL HG13 H 1 0.797 0.030 . 1 . . . . 74 VAL HG1 . 11191 1 796 . 1 1 74 74 VAL HG21 H 1 0.962 0.030 . 1 . . . . 74 VAL HG2 . 11191 1 797 . 1 1 74 74 VAL HG22 H 1 0.962 0.030 . 1 . . . . 74 VAL HG2 . 11191 1 798 . 1 1 74 74 VAL HG23 H 1 0.962 0.030 . 1 . . . . 74 VAL HG2 . 11191 1 799 . 1 1 74 74 VAL C C 13 174.821 0.300 . 1 . . . . 74 VAL C . 11191 1 800 . 1 1 74 74 VAL CA C 13 62.500 0.300 . 1 . . . . 74 VAL CA . 11191 1 801 . 1 1 74 74 VAL CB C 13 31.646 0.300 . 1 . . . . 74 VAL CB . 11191 1 802 . 1 1 74 74 VAL CG1 C 13 21.007 0.300 . 2 . . . . 74 VAL CG1 . 11191 1 803 . 1 1 74 74 VAL CG2 C 13 21.171 0.300 . 2 . . . . 74 VAL CG2 . 11191 1 804 . 1 1 74 74 VAL N N 15 123.858 0.300 . 1 . . . . 74 VAL N . 11191 1 805 . 1 1 75 75 ASP H H 1 8.552 0.030 . 1 . . . . 75 ASP H . 11191 1 806 . 1 1 75 75 ASP HA H 1 4.404 0.030 . 1 . . . . 75 ASP HA . 11191 1 807 . 1 1 75 75 ASP HB2 H 1 2.750 0.030 . 2 . . . . 75 ASP HB2 . 11191 1 808 . 1 1 75 75 ASP HB3 H 1 2.806 0.030 . 2 . . . . 75 ASP HB3 . 11191 1 809 . 1 1 75 75 ASP C C 13 176.945 0.300 . 1 . . . . 75 ASP C . 11191 1 810 . 1 1 75 75 ASP CA C 13 55.177 0.300 . 1 . . . . 75 ASP CA . 11191 1 811 . 1 1 75 75 ASP CB C 13 41.616 0.300 . 1 . . . . 75 ASP CB . 11191 1 812 . 1 1 75 75 ASP N N 15 127.895 0.300 . 1 . . . . 75 ASP N . 11191 1 813 . 1 1 76 76 LEU H H 1 8.974 0.030 . 1 . . . . 76 LEU H . 11191 1 814 . 1 1 76 76 LEU HA H 1 4.947 0.030 . 1 . . . . 76 LEU HA . 11191 1 815 . 1 1 76 76 LEU HB2 H 1 1.309 0.030 . 2 . . . . 76 LEU HB2 . 11191 1 816 . 1 1 76 76 LEU HB3 H 1 1.755 0.030 . 2 . . . . 76 LEU HB3 . 11191 1 817 . 1 1 76 76 LEU HD11 H 1 0.688 0.030 . 1 . . . . 76 LEU HD1 . 11191 1 818 . 1 1 76 76 LEU HD12 H 1 0.688 0.030 . 1 . . . . 76 LEU HD1 . 11191 1 819 . 1 1 76 76 LEU HD13 H 1 0.688 0.030 . 1 . . . . 76 LEU HD1 . 11191 1 820 . 1 1 76 76 LEU HD21 H 1 0.686 0.030 . 1 . . . . 76 LEU HD2 . 11191 1 821 . 1 1 76 76 LEU HD22 H 1 0.686 0.030 . 1 . . . . 76 LEU HD2 . 11191 1 822 . 1 1 76 76 LEU HD23 H 1 0.686 0.030 . 1 . . . . 76 LEU HD2 . 11191 1 823 . 1 1 76 76 LEU HG H 1 1.641 0.030 . 1 . . . . 76 LEU HG . 11191 1 824 . 1 1 76 76 LEU C C 13 179.368 0.300 . 1 . . . . 76 LEU C . 11191 1 825 . 1 1 76 76 LEU CA C 13 53.990 0.300 . 1 . . . . 76 LEU CA . 11191 1 826 . 1 1 76 76 LEU CB C 13 42.339 0.300 . 1 . . . . 76 LEU CB . 11191 1 827 . 1 1 76 76 LEU CD1 C 13 25.840 0.300 . 2 . . . . 76 LEU CD1 . 11191 1 828 . 1 1 76 76 LEU CD2 C 13 22.649 0.300 . 2 . . . . 76 LEU CD2 . 11191 1 829 . 1 1 76 76 LEU CG C 13 26.742 0.300 . 1 . . . . 76 LEU CG . 11191 1 830 . 1 1 76 76 LEU N N 15 128.134 0.300 . 1 . . . . 76 LEU N . 11191 1 831 . 1 1 77 77 ARG H H 1 8.797 0.030 . 1 . . . . 77 ARG H . 11191 1 832 . 1 1 77 77 ARG HA H 1 4.030 0.030 . 1 . . . . 77 ARG HA . 11191 1 833 . 1 1 77 77 ARG HB2 H 1 1.649 0.030 . 2 . . . . 77 ARG HB2 . 11191 1 834 . 1 1 77 77 ARG HB3 H 1 2.144 0.030 . 2 . . . . 77 ARG HB3 . 11191 1 835 . 1 1 77 77 ARG HD2 H 1 3.175 0.030 . 2 . . . . 77 ARG HD2 . 11191 1 836 . 1 1 77 77 ARG HD3 H 1 3.312 0.030 . 2 . . . . 77 ARG HD3 . 11191 1 837 . 1 1 77 77 ARG HE H 1 7.692 0.030 . 1 . . . . 77 ARG HE . 11191 1 838 . 1 1 77 77 ARG HG2 H 1 1.805 0.030 . 2 . . . . 77 ARG HG2 . 11191 1 839 . 1 1 77 77 ARG HG3 H 1 1.854 0.030 . 2 . . . . 77 ARG HG3 . 11191 1 840 . 1 1 77 77 ARG C C 13 177.121 0.300 . 1 . . . . 77 ARG C . 11191 1 841 . 1 1 77 77 ARG CA C 13 59.702 0.300 . 1 . . . . 77 ARG CA . 11191 1 842 . 1 1 77 77 ARG CB C 13 29.613 0.300 . 1 . . . . 77 ARG CB . 11191 1 843 . 1 1 77 77 ARG CD C 13 43.583 0.300 . 1 . . . . 77 ARG CD . 11191 1 844 . 1 1 77 77 ARG CG C 13 29.845 0.300 . 1 . . . . 77 ARG CG . 11191 1 845 . 1 1 77 77 ARG N N 15 123.328 0.300 . 1 . . . . 77 ARG N . 11191 1 846 . 1 1 77 77 ARG NE N 15 85.759 0.300 . 1 . . . . 77 ARG NE . 11191 1 847 . 1 1 78 78 ASN H H 1 8.549 0.030 . 1 . . . . 78 ASN H . 11191 1 848 . 1 1 78 78 ASN HA H 1 4.985 0.030 . 1 . . . . 78 ASN HA . 11191 1 849 . 1 1 78 78 ASN HB2 H 1 2.446 0.030 . 2 . . . . 78 ASN HB2 . 11191 1 850 . 1 1 78 78 ASN HB3 H 1 2.876 0.030 . 2 . . . . 78 ASN HB3 . 11191 1 851 . 1 1 78 78 ASN HD21 H 1 6.828 0.030 . 2 . . . . 78 ASN HD21 . 11191 1 852 . 1 1 78 78 ASN HD22 H 1 7.679 0.030 . 2 . . . . 78 ASN HD22 . 11191 1 853 . 1 1 78 78 ASN C C 13 174.453 0.300 . 1 . . . . 78 ASN C . 11191 1 854 . 1 1 78 78 ASN CA C 13 52.380 0.300 . 1 . . . . 78 ASN CA . 11191 1 855 . 1 1 78 78 ASN CB C 13 39.706 0.300 . 1 . . . . 78 ASN CB . 11191 1 856 . 1 1 78 78 ASN N N 15 116.840 0.300 . 1 . . . . 78 ASN N . 11191 1 857 . 1 1 78 78 ASN ND2 N 15 113.556 0.300 . 1 . . . . 78 ASN ND2 . 11191 1 858 . 1 1 79 79 SER H H 1 7.564 0.030 . 1 . . . . 79 SER H . 11191 1 859 . 1 1 79 79 SER HA H 1 4.692 0.030 . 1 . . . . 79 SER HA . 11191 1 860 . 1 1 79 79 SER HB2 H 1 3.945 0.030 . 2 . . . . 79 SER HB2 . 11191 1 861 . 1 1 79 79 SER HB3 H 1 3.697 0.030 . 2 . . . . 79 SER HB3 . 11191 1 862 . 1 1 79 79 SER C C 13 175.278 0.300 . 1 . . . . 79 SER C . 11191 1 863 . 1 1 79 79 SER CA C 13 59.154 0.300 . 1 . . . . 79 SER CA . 11191 1 864 . 1 1 79 79 SER CB C 13 65.592 0.300 . 1 . . . . 79 SER CB . 11191 1 865 . 1 1 79 79 SER N N 15 115.670 0.300 . 1 . . . . 79 SER N . 11191 1 866 . 1 1 80 80 SER H H 1 9.189 0.030 . 1 . . . . 80 SER H . 11191 1 867 . 1 1 80 80 SER HA H 1 4.596 0.030 . 1 . . . . 80 SER HA . 11191 1 868 . 1 1 80 80 SER HB2 H 1 3.985 0.030 . 2 . . . . 80 SER HB2 . 11191 1 869 . 1 1 80 80 SER HB3 H 1 4.383 0.030 . 2 . . . . 80 SER HB3 . 11191 1 870 . 1 1 80 80 SER C C 13 174.149 0.300 . 1 . . . . 80 SER C . 11191 1 871 . 1 1 80 80 SER CA C 13 57.839 0.300 . 1 . . . . 80 SER CA . 11191 1 872 . 1 1 80 80 SER CB C 13 65.257 0.300 . 1 . . . . 80 SER CB . 11191 1 873 . 1 1 80 80 SER N N 15 119.863 0.300 . 1 . . . . 80 SER N . 11191 1 874 . 1 1 81 81 HIS H H 1 10.033 0.030 . 1 . . . . 81 HIS H . 11191 1 875 . 1 1 81 81 HIS HA H 1 4.070 0.030 . 1 . . . . 81 HIS HA . 11191 1 876 . 1 1 81 81 HIS HB2 H 1 3.279 0.030 . 2 . . . . 81 HIS HB2 . 11191 1 877 . 1 1 81 81 HIS HB3 H 1 3.477 0.030 . 2 . . . . 81 HIS HB3 . 11191 1 878 . 1 1 81 81 HIS HD2 H 1 7.006 0.030 . 1 . . . . 81 HIS HD2 . 11191 1 879 . 1 1 81 81 HIS HE1 H 1 8.061 0.030 . 1 . . . . 81 HIS HE1 . 11191 1 880 . 1 1 81 81 HIS C C 13 176.963 0.300 . 1 . . . . 81 HIS C . 11191 1 881 . 1 1 81 81 HIS CA C 13 61.857 0.300 . 1 . . . . 81 HIS CA . 11191 1 882 . 1 1 81 81 HIS CB C 13 29.446 0.300 . 1 . . . . 81 HIS CB . 11191 1 883 . 1 1 81 81 HIS CD2 C 13 121.744 0.300 . 1 . . . . 81 HIS CD2 . 11191 1 884 . 1 1 81 81 HIS CE1 C 13 136.899 0.300 . 1 . . . . 81 HIS CE1 . 11191 1 885 . 1 1 82 82 GLU H H 1 9.104 0.030 . 1 . . . . 82 GLU H . 11191 1 886 . 1 1 82 82 GLU HA H 1 3.970 0.030 . 1 . . . . 82 GLU HA . 11191 1 887 . 1 1 82 82 GLU HB2 H 1 1.952 0.030 . 2 . . . . 82 GLU HB2 . 11191 1 888 . 1 1 82 82 GLU HB3 H 1 2.101 0.030 . 2 . . . . 82 GLU HB3 . 11191 1 889 . 1 1 82 82 GLU HG2 H 1 2.317 0.030 . 1 . . . . 82 GLU HG2 . 11191 1 890 . 1 1 82 82 GLU HG3 H 1 2.317 0.030 . 1 . . . . 82 GLU HG3 . 11191 1 891 . 1 1 82 82 GLU C C 13 179.631 0.300 . 1 . . . . 82 GLU C . 11191 1 892 . 1 1 82 82 GLU CA C 13 59.373 0.300 . 1 . . . . 82 GLU CA . 11191 1 893 . 1 1 82 82 GLU CB C 13 29.505 0.300 . 1 . . . . 82 GLU CB . 11191 1 894 . 1 1 82 82 GLU CG C 13 36.253 0.300 . 1 . . . . 82 GLU CG . 11191 1 895 . 1 1 82 82 GLU N N 15 116.794 0.300 . 1 . . . . 82 GLU N . 11191 1 896 . 1 1 83 83 GLU H H 1 7.763 0.030 . 1 . . . . 83 GLU H . 11191 1 897 . 1 1 83 83 GLU HA H 1 3.942 0.030 . 1 . . . . 83 GLU HA . 11191 1 898 . 1 1 83 83 GLU HB2 H 1 1.926 0.030 . 2 . . . . 83 GLU HB2 . 11191 1 899 . 1 1 83 83 GLU HB3 H 1 2.308 0.030 . 2 . . . . 83 GLU HB3 . 11191 1 900 . 1 1 83 83 GLU HG2 H 1 2.274 0.030 . 2 . . . . 83 GLU HG2 . 11191 1 901 . 1 1 83 83 GLU HG3 H 1 2.348 0.030 . 2 . . . . 83 GLU HG3 . 11191 1 902 . 1 1 83 83 GLU C C 13 179.578 0.300 . 1 . . . . 83 GLU C . 11191 1 903 . 1 1 83 83 GLU CA C 13 59.135 0.300 . 1 . . . . 83 GLU CA . 11191 1 904 . 1 1 83 83 GLU CB C 13 30.014 0.300 . 1 . . . . 83 GLU CB . 11191 1 905 . 1 1 83 83 GLU CG C 13 37.432 0.300 . 1 . . . . 83 GLU CG . 11191 1 906 . 1 1 83 83 GLU N N 15 119.918 0.300 . 1 . . . . 83 GLU N . 11191 1 907 . 1 1 84 84 ALA H H 1 8.025 0.030 . 1 . . . . 84 ALA H . 11191 1 908 . 1 1 84 84 ALA HA H 1 4.027 0.030 . 1 . . . . 84 ALA HA . 11191 1 909 . 1 1 84 84 ALA HB1 H 1 1.353 0.030 . 1 . . . . 84 ALA HB . 11191 1 910 . 1 1 84 84 ALA HB2 H 1 1.353 0.030 . 1 . . . . 84 ALA HB . 11191 1 911 . 1 1 84 84 ALA HB3 H 1 1.353 0.030 . 1 . . . . 84 ALA HB . 11191 1 912 . 1 1 84 84 ALA C C 13 178.490 0.300 . 1 . . . . 84 ALA C . 11191 1 913 . 1 1 84 84 ALA CA C 13 55.188 0.300 . 1 . . . . 84 ALA CA . 11191 1 914 . 1 1 84 84 ALA CB C 13 19.347 0.300 . 1 . . . . 84 ALA CB . 11191 1 915 . 1 1 84 84 ALA N N 15 123.151 0.300 . 1 . . . . 84 ALA N . 11191 1 916 . 1 1 85 85 ILE H H 1 8.124 0.030 . 1 . . . . 85 ILE H . 11191 1 917 . 1 1 85 85 ILE HA H 1 3.623 0.030 . 1 . . . . 85 ILE HA . 11191 1 918 . 1 1 85 85 ILE HB H 1 1.983 0.030 . 1 . . . . 85 ILE HB . 11191 1 919 . 1 1 85 85 ILE HD11 H 1 0.719 0.030 . 1 . . . . 85 ILE HD1 . 11191 1 920 . 1 1 85 85 ILE HD12 H 1 0.719 0.030 . 1 . . . . 85 ILE HD1 . 11191 1 921 . 1 1 85 85 ILE HD13 H 1 0.719 0.030 . 1 . . . . 85 ILE HD1 . 11191 1 922 . 1 1 85 85 ILE HG12 H 1 1.164 0.030 . 2 . . . . 85 ILE HG12 . 11191 1 923 . 1 1 85 85 ILE HG13 H 1 1.365 0.030 . 2 . . . . 85 ILE HG13 . 11191 1 924 . 1 1 85 85 ILE HG21 H 1 0.882 0.030 . 1 . . . . 85 ILE HG2 . 11191 1 925 . 1 1 85 85 ILE HG22 H 1 0.882 0.030 . 1 . . . . 85 ILE HG2 . 11191 1 926 . 1 1 85 85 ILE HG23 H 1 0.882 0.030 . 1 . . . . 85 ILE HG2 . 11191 1 927 . 1 1 85 85 ILE C C 13 179.490 0.300 . 1 . . . . 85 ILE C . 11191 1 928 . 1 1 85 85 ILE CA C 13 63.734 0.300 . 1 . . . . 85 ILE CA . 11191 1 929 . 1 1 85 85 ILE CB C 13 36.704 0.300 . 1 . . . . 85 ILE CB . 11191 1 930 . 1 1 85 85 ILE CD1 C 13 11.782 0.300 . 1 . . . . 85 ILE CD1 . 11191 1 931 . 1 1 85 85 ILE CG1 C 13 27.571 0.300 . 1 . . . . 85 ILE CG1 . 11191 1 932 . 1 1 85 85 ILE CG2 C 13 17.533 0.300 . 1 . . . . 85 ILE CG2 . 11191 1 933 . 1 1 85 85 ILE N N 15 117.363 0.300 . 1 . . . . 85 ILE N . 11191 1 934 . 1 1 86 86 THR H H 1 8.104 0.030 . 1 . . . . 86 THR H . 11191 1 935 . 1 1 86 86 THR HA H 1 3.770 0.030 . 1 . . . . 86 THR HA . 11191 1 936 . 1 1 86 86 THR HB H 1 4.204 0.030 . 1 . . . . 86 THR HB . 11191 1 937 . 1 1 86 86 THR HG21 H 1 1.187 0.030 . 1 . . . . 86 THR HG2 . 11191 1 938 . 1 1 86 86 THR HG22 H 1 1.187 0.030 . 1 . . . . 86 THR HG2 . 11191 1 939 . 1 1 86 86 THR HG23 H 1 1.187 0.030 . 1 . . . . 86 THR HG2 . 11191 1 940 . 1 1 86 86 THR C C 13 175.524 0.300 . 1 . . . . 86 THR C . 11191 1 941 . 1 1 86 86 THR CA C 13 67.092 0.300 . 1 . . . . 86 THR CA . 11191 1 942 . 1 1 86 86 THR CB C 13 68.631 0.300 . 1 . . . . 86 THR CB . 11191 1 943 . 1 1 86 86 THR CG2 C 13 21.564 0.300 . 1 . . . . 86 THR CG2 . 11191 1 944 . 1 1 86 86 THR N N 15 117.662 0.300 . 1 . . . . 86 THR N . 11191 1 945 . 1 1 87 87 ALA H H 1 7.894 0.030 . 1 . . . . 87 ALA H . 11191 1 946 . 1 1 87 87 ALA HA H 1 4.102 0.030 . 1 . . . . 87 ALA HA . 11191 1 947 . 1 1 87 87 ALA HB1 H 1 1.426 0.030 . 1 . . . . 87 ALA HB . 11191 1 948 . 1 1 87 87 ALA HB2 H 1 1.426 0.030 . 1 . . . . 87 ALA HB . 11191 1 949 . 1 1 87 87 ALA HB3 H 1 1.426 0.030 . 1 . . . . 87 ALA HB . 11191 1 950 . 1 1 87 87 ALA C C 13 179.982 0.300 . 1 . . . . 87 ALA C . 11191 1 951 . 1 1 87 87 ALA CA C 13 54.984 0.300 . 1 . . . . 87 ALA CA . 11191 1 952 . 1 1 87 87 ALA CB C 13 18.145 0.300 . 1 . . . . 87 ALA CB . 11191 1 953 . 1 1 87 87 ALA N N 15 123.037 0.300 . 1 . . . . 87 ALA N . 11191 1 954 . 1 1 88 88 LEU H H 1 7.950 0.030 . 1 . . . . 88 LEU H . 11191 1 955 . 1 1 88 88 LEU HA H 1 3.943 0.030 . 1 . . . . 88 LEU HA . 11191 1 956 . 1 1 88 88 LEU HB2 H 1 1.886 0.030 . 2 . . . . 88 LEU HB2 . 11191 1 957 . 1 1 88 88 LEU HB3 H 1 1.474 0.030 . 2 . . . . 88 LEU HB3 . 11191 1 958 . 1 1 88 88 LEU HD11 H 1 0.707 0.030 . 1 . . . . 88 LEU HD1 . 11191 1 959 . 1 1 88 88 LEU HD12 H 1 0.707 0.030 . 1 . . . . 88 LEU HD1 . 11191 1 960 . 1 1 88 88 LEU HD13 H 1 0.707 0.030 . 1 . . . . 88 LEU HD1 . 11191 1 961 . 1 1 88 88 LEU HD21 H 1 0.708 0.030 . 1 . . . . 88 LEU HD2 . 11191 1 962 . 1 1 88 88 LEU HD22 H 1 0.708 0.030 . 1 . . . . 88 LEU HD2 . 11191 1 963 . 1 1 88 88 LEU HD23 H 1 0.708 0.030 . 1 . . . . 88 LEU HD2 . 11191 1 964 . 1 1 88 88 LEU HG H 1 1.718 0.030 . 1 . . . . 88 LEU HG . 11191 1 965 . 1 1 88 88 LEU C C 13 178.929 0.300 . 1 . . . . 88 LEU C . 11191 1 966 . 1 1 88 88 LEU CA C 13 57.481 0.300 . 1 . . . . 88 LEU CA . 11191 1 967 . 1 1 88 88 LEU CB C 13 42.030 0.300 . 1 . . . . 88 LEU CB . 11191 1 968 . 1 1 88 88 LEU CD1 C 13 25.738 0.300 . 2 . . . . 88 LEU CD1 . 11191 1 969 . 1 1 88 88 LEU CD2 C 13 23.632 0.300 . 2 . . . . 88 LEU CD2 . 11191 1 970 . 1 1 88 88 LEU CG C 13 27.563 0.300 . 1 . . . . 88 LEU CG . 11191 1 971 . 1 1 88 88 LEU N N 15 115.176 0.300 . 1 . . . . 88 LEU N . 11191 1 972 . 1 1 89 89 ARG H H 1 8.030 0.030 . 1 . . . . 89 ARG H . 11191 1 973 . 1 1 89 89 ARG HA H 1 4.250 0.030 . 1 . . . . 89 ARG HA . 11191 1 974 . 1 1 89 89 ARG HB2 H 1 2.024 0.030 . 1 . . . . 89 ARG HB2 . 11191 1 975 . 1 1 89 89 ARG HB3 H 1 2.024 0.030 . 1 . . . . 89 ARG HB3 . 11191 1 976 . 1 1 89 89 ARG HD2 H 1 3.237 0.030 . 1 . . . . 89 ARG HD2 . 11191 1 977 . 1 1 89 89 ARG HD3 H 1 3.237 0.030 . 1 . . . . 89 ARG HD3 . 11191 1 978 . 1 1 89 89 ARG HG2 H 1 1.753 0.030 . 2 . . . . 89 ARG HG2 . 11191 1 979 . 1 1 89 89 ARG HG3 H 1 1.843 0.030 . 2 . . . . 89 ARG HG3 . 11191 1 980 . 1 1 89 89 ARG C C 13 178.051 0.300 . 1 . . . . 89 ARG C . 11191 1 981 . 1 1 89 89 ARG CA C 13 58.633 0.300 . 1 . . . . 89 ARG CA . 11191 1 982 . 1 1 89 89 ARG CB C 13 30.855 0.300 . 1 . . . . 89 ARG CB . 11191 1 983 . 1 1 89 89 ARG CD C 13 43.763 0.300 . 1 . . . . 89 ARG CD . 11191 1 984 . 1 1 89 89 ARG CG C 13 27.715 0.300 . 1 . . . . 89 ARG CG . 11191 1 985 . 1 1 89 89 ARG N N 15 120.320 0.300 . 1 . . . . 89 ARG N . 11191 1 986 . 1 1 90 90 GLN H H 1 7.765 0.030 . 1 . . . . 90 GLN H . 11191 1 987 . 1 1 90 90 GLN HA H 1 4.535 0.030 . 1 . . . . 90 GLN HA . 11191 1 988 . 1 1 90 90 GLN HB2 H 1 2.023 0.030 . 2 . . . . 90 GLN HB2 . 11191 1 989 . 1 1 90 90 GLN HB3 H 1 2.250 0.030 . 2 . . . . 90 GLN HB3 . 11191 1 990 . 1 1 90 90 GLN HE21 H 1 6.841 0.030 . 2 . . . . 90 GLN HE21 . 11191 1 991 . 1 1 90 90 GLN HE22 H 1 7.433 0.030 . 2 . . . . 90 GLN HE22 . 11191 1 992 . 1 1 90 90 GLN HG2 H 1 2.390 0.030 . 2 . . . . 90 GLN HG2 . 11191 1 993 . 1 1 90 90 GLN HG3 H 1 2.582 0.030 . 2 . . . . 90 GLN HG3 . 11191 1 994 . 1 1 90 90 GLN C C 13 175.330 0.300 . 1 . . . . 90 GLN C . 11191 1 995 . 1 1 90 90 GLN CA C 13 55.221 0.300 . 1 . . . . 90 GLN CA . 11191 1 996 . 1 1 90 90 GLN CB C 13 27.762 0.300 . 1 . . . . 90 GLN CB . 11191 1 997 . 1 1 90 90 GLN CG C 13 34.105 0.300 . 1 . . . . 90 GLN CG . 11191 1 998 . 1 1 90 90 GLN N N 15 118.992 0.300 . 1 . . . . 90 GLN N . 11191 1 999 . 1 1 90 90 GLN NE2 N 15 111.165 0.300 . 1 . . . . 90 GLN NE2 . 11191 1 1000 . 1 1 91 91 THR H H 1 7.440 0.030 . 1 . . . . 91 THR H . 11191 1 1001 . 1 1 91 91 THR HA H 1 4.623 0.030 . 1 . . . . 91 THR HA . 11191 1 1002 . 1 1 91 91 THR HB H 1 4.235 0.030 . 1 . . . . 91 THR HB . 11191 1 1003 . 1 1 91 91 THR HG21 H 1 1.387 0.030 . 1 . . . . 91 THR HG2 . 11191 1 1004 . 1 1 91 91 THR HG22 H 1 1.387 0.030 . 1 . . . . 91 THR HG2 . 11191 1 1005 . 1 1 91 91 THR HG23 H 1 1.387 0.030 . 1 . . . . 91 THR HG2 . 11191 1 1006 . 1 1 91 91 THR C C 13 173.398 0.300 . 1 . . . . 91 THR C . 11191 1 1007 . 1 1 91 91 THR CA C 13 58.590 0.300 . 1 . . . . 91 THR CA . 11191 1 1008 . 1 1 91 91 THR CB C 13 70.158 0.300 . 1 . . . . 91 THR CB . 11191 1 1009 . 1 1 91 91 THR CG2 C 13 23.612 0.300 . 1 . . . . 91 THR CG2 . 11191 1 1010 . 1 1 91 91 THR N N 15 110.549 0.300 . 1 . . . . 91 THR N . 11191 1 1011 . 1 1 92 92 PRO HA H 1 4.778 0.030 . 1 . . . . 92 PRO HA . 11191 1 1012 . 1 1 92 92 PRO HB2 H 1 2.351 0.030 . 2 . . . . 92 PRO HB2 . 11191 1 1013 . 1 1 92 92 PRO HB3 H 1 2.270 0.030 . 2 . . . . 92 PRO HB3 . 11191 1 1014 . 1 1 92 92 PRO HD2 H 1 3.306 0.030 . 2 . . . . 92 PRO HD2 . 11191 1 1015 . 1 1 92 92 PRO HD3 H 1 3.801 0.030 . 2 . . . . 92 PRO HD3 . 11191 1 1016 . 1 1 92 92 PRO HG2 H 1 2.054 0.030 . 2 . . . . 92 PRO HG2 . 11191 1 1017 . 1 1 92 92 PRO HG3 H 1 2.089 0.030 . 2 . . . . 92 PRO HG3 . 11191 1 1018 . 1 1 92 92 PRO C C 13 174.330 0.300 . 1 . . . . 92 PRO C . 11191 1 1019 . 1 1 92 92 PRO CA C 13 62.253 0.300 . 1 . . . . 92 PRO CA . 11191 1 1020 . 1 1 92 92 PRO CB C 13 31.543 0.300 . 1 . . . . 92 PRO CB . 11191 1 1021 . 1 1 92 92 PRO CD C 13 49.815 0.300 . 1 . . . . 92 PRO CD . 11191 1 1022 . 1 1 92 92 PRO CG C 13 26.591 0.300 . 1 . . . . 92 PRO CG . 11191 1 1023 . 1 1 93 93 GLN H H 1 8.118 0.030 . 1 . . . . 93 GLN H . 11191 1 1024 . 1 1 93 93 GLN HA H 1 3.972 0.030 . 1 . . . . 93 GLN HA . 11191 1 1025 . 1 1 93 93 GLN HB2 H 1 2.121 0.030 . 1 . . . . 93 GLN HB2 . 11191 1 1026 . 1 1 93 93 GLN HB3 H 1 2.121 0.030 . 1 . . . . 93 GLN HB3 . 11191 1 1027 . 1 1 93 93 GLN HE21 H 1 7.051 0.030 . 2 . . . . 93 GLN HE21 . 11191 1 1028 . 1 1 93 93 GLN HE22 H 1 7.548 0.030 . 2 . . . . 93 GLN HE22 . 11191 1 1029 . 1 1 93 93 GLN HG2 H 1 2.451 0.030 . 2 . . . . 93 GLN HG2 . 11191 1 1030 . 1 1 93 93 GLN HG3 H 1 2.505 0.030 . 2 . . . . 93 GLN HG3 . 11191 1 1031 . 1 1 93 93 GLN C C 13 175.576 0.300 . 1 . . . . 93 GLN C . 11191 1 1032 . 1 1 93 93 GLN CA C 13 59.318 0.300 . 1 . . . . 93 GLN CA . 11191 1 1033 . 1 1 93 93 GLN CB C 13 29.072 0.300 . 1 . . . . 93 GLN CB . 11191 1 1034 . 1 1 93 93 GLN CG C 13 34.516 0.300 . 1 . . . . 93 GLN CG . 11191 1 1035 . 1 1 93 93 GLN N N 15 115.362 0.300 . 1 . . . . 93 GLN N . 11191 1 1036 . 1 1 93 93 GLN NE2 N 15 112.041 0.300 . 1 . . . . 93 GLN NE2 . 11191 1 1037 . 1 1 94 94 LYS H H 1 7.578 0.030 . 1 . . . . 94 LYS H . 11191 1 1038 . 1 1 94 94 LYS HA H 1 4.770 0.030 . 1 . . . . 94 LYS HA . 11191 1 1039 . 1 1 94 94 LYS HB2 H 1 1.568 0.030 . 2 . . . . 94 LYS HB2 . 11191 1 1040 . 1 1 94 94 LYS HB3 H 1 1.682 0.030 . 2 . . . . 94 LYS HB3 . 11191 1 1041 . 1 1 94 94 LYS HD2 H 1 1.578 0.030 . 2 . . . . 94 LYS HD2 . 11191 1 1042 . 1 1 94 94 LYS HD3 H 1 1.625 0.030 . 2 . . . . 94 LYS HD3 . 11191 1 1043 . 1 1 94 94 LYS HE2 H 1 2.892 0.030 . 2 . . . . 94 LYS HE2 . 11191 1 1044 . 1 1 94 94 LYS HE3 H 1 2.970 0.030 . 2 . . . . 94 LYS HE3 . 11191 1 1045 . 1 1 94 94 LYS HG2 H 1 1.187 0.030 . 2 . . . . 94 LYS HG2 . 11191 1 1046 . 1 1 94 94 LYS HG3 H 1 1.306 0.030 . 2 . . . . 94 LYS HG3 . 11191 1 1047 . 1 1 94 94 LYS C C 13 175.155 0.300 . 1 . . . . 94 LYS C . 11191 1 1048 . 1 1 94 94 LYS CA C 13 55.314 0.300 . 1 . . . . 94 LYS CA . 11191 1 1049 . 1 1 94 94 LYS CB C 13 32.697 0.300 . 1 . . . . 94 LYS CB . 11191 1 1050 . 1 1 94 94 LYS CD C 13 29.124 0.300 . 1 . . . . 94 LYS CD . 11191 1 1051 . 1 1 94 94 LYS CE C 13 41.917 0.300 . 1 . . . . 94 LYS CE . 11191 1 1052 . 1 1 94 94 LYS CG C 13 24.879 0.300 . 1 . . . . 94 LYS CG . 11191 1 1053 . 1 1 94 94 LYS N N 15 116.273 0.300 . 1 . . . . 94 LYS N . 11191 1 1054 . 1 1 95 95 VAL H H 1 8.971 0.030 . 1 . . . . 95 VAL H . 11191 1 1055 . 1 1 95 95 VAL HA H 1 4.309 0.030 . 1 . . . . 95 VAL HA . 11191 1 1056 . 1 1 95 95 VAL HB H 1 2.083 0.030 . 1 . . . . 95 VAL HB . 11191 1 1057 . 1 1 95 95 VAL HG11 H 1 0.894 0.030 . 1 . . . . 95 VAL HG1 . 11191 1 1058 . 1 1 95 95 VAL HG12 H 1 0.894 0.030 . 1 . . . . 95 VAL HG1 . 11191 1 1059 . 1 1 95 95 VAL HG13 H 1 0.894 0.030 . 1 . . . . 95 VAL HG1 . 11191 1 1060 . 1 1 95 95 VAL HG21 H 1 0.987 0.030 . 1 . . . . 95 VAL HG2 . 11191 1 1061 . 1 1 95 95 VAL HG22 H 1 0.987 0.030 . 1 . . . . 95 VAL HG2 . 11191 1 1062 . 1 1 95 95 VAL HG23 H 1 0.987 0.030 . 1 . . . . 95 VAL HG2 . 11191 1 1063 . 1 1 95 95 VAL C C 13 173.944 0.300 . 1 . . . . 95 VAL C . 11191 1 1064 . 1 1 95 95 VAL CA C 13 61.325 0.300 . 1 . . . . 95 VAL CA . 11191 1 1065 . 1 1 95 95 VAL CB C 13 33.345 0.300 . 1 . . . . 95 VAL CB . 11191 1 1066 . 1 1 95 95 VAL CG1 C 13 22.016 0.300 . 2 . . . . 95 VAL CG1 . 11191 1 1067 . 1 1 95 95 VAL CG2 C 13 22.375 0.300 . 2 . . . . 95 VAL CG2 . 11191 1 1068 . 1 1 95 95 VAL N N 15 126.085 0.300 . 1 . . . . 95 VAL N . 11191 1 1069 . 1 1 96 96 ARG H H 1 8.922 0.030 . 1 . . . . 96 ARG H . 11191 1 1070 . 1 1 96 96 ARG HA H 1 5.094 0.030 . 1 . . . . 96 ARG HA . 11191 1 1071 . 1 1 96 96 ARG HB2 H 1 1.726 0.030 . 1 . . . . 96 ARG HB2 . 11191 1 1072 . 1 1 96 96 ARG HB3 H 1 1.726 0.030 . 1 . . . . 96 ARG HB3 . 11191 1 1073 . 1 1 96 96 ARG HD2 H 1 3.107 0.030 . 2 . . . . 96 ARG HD2 . 11191 1 1074 . 1 1 96 96 ARG HD3 H 1 3.174 0.030 . 2 . . . . 96 ARG HD3 . 11191 1 1075 . 1 1 96 96 ARG HG2 H 1 1.345 0.030 . 2 . . . . 96 ARG HG2 . 11191 1 1076 . 1 1 96 96 ARG HG3 H 1 1.539 0.030 . 2 . . . . 96 ARG HG3 . 11191 1 1077 . 1 1 96 96 ARG C C 13 175.366 0.300 . 1 . . . . 96 ARG C . 11191 1 1078 . 1 1 96 96 ARG CA C 13 54.844 0.300 . 1 . . . . 96 ARG CA . 11191 1 1079 . 1 1 96 96 ARG CB C 13 31.591 0.300 . 1 . . . . 96 ARG CB . 11191 1 1080 . 1 1 96 96 ARG CD C 13 43.580 0.300 . 1 . . . . 96 ARG CD . 11191 1 1081 . 1 1 96 96 ARG CG C 13 28.405 0.300 . 1 . . . . 96 ARG CG . 11191 1 1082 . 1 1 96 96 ARG N N 15 128.338 0.300 . 1 . . . . 96 ARG N . 11191 1 1083 . 1 1 97 97 LEU H H 1 9.174 0.030 . 1 . . . . 97 LEU H . 11191 1 1084 . 1 1 97 97 LEU HA H 1 5.243 0.030 . 1 . . . . 97 LEU HA . 11191 1 1085 . 1 1 97 97 LEU HB2 H 1 1.576 0.030 . 2 . . . . 97 LEU HB2 . 11191 1 1086 . 1 1 97 97 LEU HB3 H 1 1.399 0.030 . 2 . . . . 97 LEU HB3 . 11191 1 1087 . 1 1 97 97 LEU HD11 H 1 0.725 0.030 . 1 . . . . 97 LEU HD1 . 11191 1 1088 . 1 1 97 97 LEU HD12 H 1 0.725 0.030 . 1 . . . . 97 LEU HD1 . 11191 1 1089 . 1 1 97 97 LEU HD13 H 1 0.725 0.030 . 1 . . . . 97 LEU HD1 . 11191 1 1090 . 1 1 97 97 LEU HD21 H 1 0.787 0.030 . 1 . . . . 97 LEU HD2 . 11191 1 1091 . 1 1 97 97 LEU HD22 H 1 0.787 0.030 . 1 . . . . 97 LEU HD2 . 11191 1 1092 . 1 1 97 97 LEU HD23 H 1 0.787 0.030 . 1 . . . . 97 LEU HD2 . 11191 1 1093 . 1 1 97 97 LEU HG H 1 1.582 0.030 . 1 . . . . 97 LEU HG . 11191 1 1094 . 1 1 97 97 LEU C C 13 175.250 0.300 . 1 . . . . 97 LEU C . 11191 1 1095 . 1 1 97 97 LEU CA C 13 53.669 0.300 . 1 . . . . 97 LEU CA . 11191 1 1096 . 1 1 97 97 LEU CB C 13 45.965 0.300 . 1 . . . . 97 LEU CB . 11191 1 1097 . 1 1 97 97 LEU CD1 C 13 26.705 0.300 . 2 . . . . 97 LEU CD1 . 11191 1 1098 . 1 1 97 97 LEU CD2 C 13 25.586 0.300 . 2 . . . . 97 LEU CD2 . 11191 1 1099 . 1 1 97 97 LEU CG C 13 27.251 0.300 . 1 . . . . 97 LEU CG . 11191 1 1100 . 1 1 97 97 LEU N N 15 126.793 0.300 . 1 . . . . 97 LEU N . 11191 1 1101 . 1 1 98 98 VAL H H 1 8.116 0.030 . 1 . . . . 98 VAL H . 11191 1 1102 . 1 1 98 98 VAL HA H 1 5.043 0.030 . 1 . . . . 98 VAL HA . 11191 1 1103 . 1 1 98 98 VAL HB H 1 1.809 0.030 . 1 . . . . 98 VAL HB . 11191 1 1104 . 1 1 98 98 VAL HG11 H 1 0.840 0.030 . 1 . . . . 98 VAL HG1 . 11191 1 1105 . 1 1 98 98 VAL HG12 H 1 0.840 0.030 . 1 . . . . 98 VAL HG1 . 11191 1 1106 . 1 1 98 98 VAL HG13 H 1 0.840 0.030 . 1 . . . . 98 VAL HG1 . 11191 1 1107 . 1 1 98 98 VAL HG21 H 1 0.833 0.030 . 1 . . . . 98 VAL HG2 . 11191 1 1108 . 1 1 98 98 VAL HG22 H 1 0.833 0.030 . 1 . . . . 98 VAL HG2 . 11191 1 1109 . 1 1 98 98 VAL HG23 H 1 0.833 0.030 . 1 . . . . 98 VAL HG2 . 11191 1 1110 . 1 1 98 98 VAL C C 13 176.155 0.300 . 1 . . . . 98 VAL C . 11191 1 1111 . 1 1 98 98 VAL CA C 13 61.677 0.300 . 1 . . . . 98 VAL CA . 11191 1 1112 . 1 1 98 98 VAL CB C 13 32.031 0.300 . 1 . . . . 98 VAL CB . 11191 1 1113 . 1 1 98 98 VAL CG1 C 13 21.764 0.300 . 2 . . . . 98 VAL CG1 . 11191 1 1114 . 1 1 98 98 VAL CG2 C 13 21.337 0.300 . 2 . . . . 98 VAL CG2 . 11191 1 1115 . 1 1 98 98 VAL N N 15 121.108 0.300 . 1 . . . . 98 VAL N . 11191 1 1116 . 1 1 99 99 VAL H H 1 9.303 0.030 . 1 . . . . 99 VAL H . 11191 1 1117 . 1 1 99 99 VAL HA H 1 5.504 0.030 . 1 . . . . 99 VAL HA . 11191 1 1118 . 1 1 99 99 VAL HB H 1 1.963 0.030 . 1 . . . . 99 VAL HB . 11191 1 1119 . 1 1 99 99 VAL HG11 H 1 0.831 0.030 . 1 . . . . 99 VAL HG1 . 11191 1 1120 . 1 1 99 99 VAL HG12 H 1 0.831 0.030 . 1 . . . . 99 VAL HG1 . 11191 1 1121 . 1 1 99 99 VAL HG13 H 1 0.831 0.030 . 1 . . . . 99 VAL HG1 . 11191 1 1122 . 1 1 99 99 VAL HG21 H 1 0.716 0.030 . 1 . . . . 99 VAL HG2 . 11191 1 1123 . 1 1 99 99 VAL HG22 H 1 0.716 0.030 . 1 . . . . 99 VAL HG2 . 11191 1 1124 . 1 1 99 99 VAL HG23 H 1 0.716 0.030 . 1 . . . . 99 VAL HG2 . 11191 1 1125 . 1 1 99 99 VAL C C 13 173.505 0.300 . 1 . . . . 99 VAL C . 11191 1 1126 . 1 1 99 99 VAL CA C 13 58.715 0.300 . 1 . . . . 99 VAL CA . 11191 1 1127 . 1 1 99 99 VAL CB C 13 36.272 0.300 . 1 . . . . 99 VAL CB . 11191 1 1128 . 1 1 99 99 VAL CG1 C 13 21.592 0.300 . 2 . . . . 99 VAL CG1 . 11191 1 1129 . 1 1 99 99 VAL CG2 C 13 19.079 0.300 . 2 . . . . 99 VAL CG2 . 11191 1 1130 . 1 1 99 99 VAL N N 15 122.745 0.300 . 1 . . . . 99 VAL N . 11191 1 1131 . 1 1 100 100 TYR H H 1 8.667 0.030 . 1 . . . . 100 TYR H . 11191 1 1132 . 1 1 100 100 TYR HA H 1 4.597 0.030 . 1 . . . . 100 TYR HA . 11191 1 1133 . 1 1 100 100 TYR HB2 H 1 2.680 0.030 . 2 . . . . 100 TYR HB2 . 11191 1 1134 . 1 1 100 100 TYR HB3 H 1 2.746 0.030 . 2 . . . . 100 TYR HB3 . 11191 1 1135 . 1 1 100 100 TYR HD1 H 1 6.753 0.030 . 1 . . . . 100 TYR HD1 . 11191 1 1136 . 1 1 100 100 TYR HD2 H 1 6.753 0.030 . 1 . . . . 100 TYR HD2 . 11191 1 1137 . 1 1 100 100 TYR HE1 H 1 6.642 0.030 . 1 . . . . 100 TYR HE1 . 11191 1 1138 . 1 1 100 100 TYR HE2 H 1 6.642 0.030 . 1 . . . . 100 TYR HE2 . 11191 1 1139 . 1 1 100 100 TYR C C 13 172.505 0.300 . 1 . . . . 100 TYR C . 11191 1 1140 . 1 1 100 100 TYR CA C 13 57.838 0.300 . 1 . . . . 100 TYR CA . 11191 1 1141 . 1 1 100 100 TYR CB C 13 43.113 0.300 . 1 . . . . 100 TYR CB . 11191 1 1142 . 1 1 100 100 TYR CD1 C 13 132.786 0.300 . 1 . . . . 100 TYR CD1 . 11191 1 1143 . 1 1 100 100 TYR CD2 C 13 132.786 0.300 . 1 . . . . 100 TYR CD2 . 11191 1 1144 . 1 1 100 100 TYR CE1 C 13 117.808 0.300 . 1 . . . . 100 TYR CE1 . 11191 1 1145 . 1 1 100 100 TYR CE2 C 13 117.808 0.300 . 1 . . . . 100 TYR CE2 . 11191 1 1146 . 1 1 100 100 TYR N N 15 120.767 0.300 . 1 . . . . 100 TYR N . 11191 1 1147 . 1 1 101 101 ARG H H 1 9.074 0.030 . 1 . . . . 101 ARG H . 11191 1 1148 . 1 1 101 101 ARG HA H 1 4.557 0.030 . 1 . . . . 101 ARG HA . 11191 1 1149 . 1 1 101 101 ARG HB2 H 1 1.456 0.030 . 2 . . . . 101 ARG HB2 . 11191 1 1150 . 1 1 101 101 ARG HB3 H 1 1.097 0.030 . 2 . . . . 101 ARG HB3 . 11191 1 1151 . 1 1 101 101 ARG HD2 H 1 2.188 0.030 . 2 . . . . 101 ARG HD2 . 11191 1 1152 . 1 1 101 101 ARG HD3 H 1 2.925 0.030 . 2 . . . . 101 ARG HD3 . 11191 1 1153 . 1 1 101 101 ARG HE H 1 9.175 0.030 . 1 . . . . 101 ARG HE . 11191 1 1154 . 1 1 101 101 ARG HG2 H 1 1.388 0.030 . 2 . . . . 101 ARG HG2 . 11191 1 1155 . 1 1 101 101 ARG HG3 H 1 1.550 0.030 . 2 . . . . 101 ARG HG3 . 11191 1 1156 . 1 1 101 101 ARG C C 13 173.628 0.300 . 1 . . . . 101 ARG C . 11191 1 1157 . 1 1 101 101 ARG CA C 13 54.210 0.300 . 1 . . . . 101 ARG CA . 11191 1 1158 . 1 1 101 101 ARG CB C 13 33.140 0.300 . 1 . . . . 101 ARG CB . 11191 1 1159 . 1 1 101 101 ARG CD C 13 42.876 0.300 . 1 . . . . 101 ARG CD . 11191 1 1160 . 1 1 101 101 ARG CG C 13 25.653 0.300 . 1 . . . . 101 ARG CG . 11191 1 1161 . 1 1 101 101 ARG N N 15 133.129 0.300 . 1 . . . . 101 ARG N . 11191 1 1162 . 1 1 101 101 ARG NE N 15 83.323 0.300 . 1 . . . . 101 ARG NE . 11191 1 1163 . 1 1 102 102 ASP H H 1 8.551 0.030 . 1 . . . . 102 ASP H . 11191 1 1164 . 1 1 102 102 ASP HA H 1 4.395 0.030 . 1 . . . . 102 ASP HA . 11191 1 1165 . 1 1 102 102 ASP HB2 H 1 2.636 0.030 . 1 . . . . 102 ASP HB2 . 11191 1 1166 . 1 1 102 102 ASP HB3 H 1 2.636 0.030 . 1 . . . . 102 ASP HB3 . 11191 1 1167 . 1 1 102 102 ASP C C 13 176.471 0.300 . 1 . . . . 102 ASP C . 11191 1 1168 . 1 1 102 102 ASP CA C 13 54.492 0.300 . 1 . . . . 102 ASP CA . 11191 1 1169 . 1 1 102 102 ASP CB C 13 42.288 0.300 . 1 . . . . 102 ASP CB . 11191 1 1170 . 1 1 102 102 ASP N N 15 126.824 0.300 . 1 . . . . 102 ASP N . 11191 1 1171 . 1 1 103 103 GLU H H 1 8.604 0.030 . 1 . . . . 103 GLU H . 11191 1 1172 . 1 1 103 103 GLU HA H 1 4.058 0.030 . 1 . . . . 103 GLU HA . 11191 1 1173 . 1 1 103 103 GLU HB2 H 1 1.974 0.030 . 2 . . . . 103 GLU HB2 . 11191 1 1174 . 1 1 103 103 GLU HB3 H 1 1.892 0.030 . 2 . . . . 103 GLU HB3 . 11191 1 1175 . 1 1 103 103 GLU HG2 H 1 2.175 0.030 . 1 . . . . 103 GLU HG2 . 11191 1 1176 . 1 1 103 103 GLU HG3 H 1 2.175 0.030 . 1 . . . . 103 GLU HG3 . 11191 1 1177 . 1 1 103 103 GLU C C 13 176.226 0.300 . 1 . . . . 103 GLU C . 11191 1 1178 . 1 1 103 103 GLU CA C 13 57.316 0.300 . 1 . . . . 103 GLU CA . 11191 1 1179 . 1 1 103 103 GLU CB C 13 30.587 0.300 . 1 . . . . 103 GLU CB . 11191 1 1180 . 1 1 103 103 GLU CG C 13 36.582 0.300 . 1 . . . . 103 GLU CG . 11191 1 1181 . 1 1 103 103 GLU N N 15 122.261 0.300 . 1 . . . . 103 GLU N . 11191 1 1182 . 1 1 104 104 ALA H H 1 8.541 0.030 . 1 . . . . 104 ALA H . 11191 1 1183 . 1 1 104 104 ALA HA H 1 4.211 0.030 . 1 . . . . 104 ALA HA . 11191 1 1184 . 1 1 104 104 ALA HB1 H 1 1.314 0.030 . 1 . . . . 104 ALA HB . 11191 1 1185 . 1 1 104 104 ALA HB2 H 1 1.314 0.030 . 1 . . . . 104 ALA HB . 11191 1 1186 . 1 1 104 104 ALA HB3 H 1 1.314 0.030 . 1 . . . . 104 ALA HB . 11191 1 1187 . 1 1 104 104 ALA C C 13 177.718 0.300 . 1 . . . . 104 ALA C . 11191 1 1188 . 1 1 104 104 ALA CA C 13 52.900 0.300 . 1 . . . . 104 ALA CA . 11191 1 1189 . 1 1 104 104 ALA CB C 13 19.034 0.300 . 1 . . . . 104 ALA CB . 11191 1 1190 . 1 1 104 104 ALA N N 15 123.864 0.300 . 1 . . . . 104 ALA N . 11191 1 1191 . 1 1 105 105 HIS H H 1 8.120 0.030 . 1 . . . . 105 HIS H . 11191 1 1192 . 1 1 105 105 HIS HA H 1 4.617 0.030 . 1 . . . . 105 HIS HA . 11191 1 1193 . 1 1 105 105 HIS HB2 H 1 3.056 0.030 . 2 . . . . 105 HIS HB2 . 11191 1 1194 . 1 1 105 105 HIS HB3 H 1 3.169 0.030 . 2 . . . . 105 HIS HB3 . 11191 1 1195 . 1 1 105 105 HIS HD2 H 1 7.051 0.030 . 1 . . . . 105 HIS HD2 . 11191 1 1196 . 1 1 105 105 HIS HE1 H 1 8.210 0.030 . 1 . . . . 105 HIS HE1 . 11191 1 1197 . 1 1 105 105 HIS C C 13 174.646 0.300 . 1 . . . . 105 HIS C . 11191 1 1198 . 1 1 105 105 HIS CA C 13 55.800 0.300 . 1 . . . . 105 HIS CA . 11191 1 1199 . 1 1 105 105 HIS CB C 13 29.868 0.300 . 1 . . . . 105 HIS CB . 11191 1 1200 . 1 1 105 105 HIS CD2 C 13 119.876 0.300 . 1 . . . . 105 HIS CD2 . 11191 1 1201 . 1 1 105 105 HIS CE1 C 13 137.297 0.300 . 1 . . . . 105 HIS CE1 . 11191 1 1202 . 1 1 105 105 HIS N N 15 117.385 0.300 . 1 . . . . 105 HIS N . 11191 1 1203 . 1 1 106 106 TYR H H 1 8.090 0.030 . 1 . . . . 106 TYR H . 11191 1 1204 . 1 1 106 106 TYR HA H 1 4.543 0.030 . 1 . . . . 106 TYR HA . 11191 1 1205 . 1 1 106 106 TYR HB2 H 1 2.939 0.030 . 2 . . . . 106 TYR HB2 . 11191 1 1206 . 1 1 106 106 TYR HB3 H 1 3.031 0.030 . 2 . . . . 106 TYR HB3 . 11191 1 1207 . 1 1 106 106 TYR HD1 H 1 7.102 0.030 . 1 . . . . 106 TYR HD1 . 11191 1 1208 . 1 1 106 106 TYR HD2 H 1 7.102 0.030 . 1 . . . . 106 TYR HD2 . 11191 1 1209 . 1 1 106 106 TYR HE1 H 1 6.808 0.030 . 1 . . . . 106 TYR HE1 . 11191 1 1210 . 1 1 106 106 TYR HE2 H 1 6.808 0.030 . 1 . . . . 106 TYR HE2 . 11191 1 1211 . 1 1 106 106 TYR C C 13 175.383 0.300 . 1 . . . . 106 TYR C . 11191 1 1212 . 1 1 106 106 TYR CA C 13 58.139 0.300 . 1 . . . . 106 TYR CA . 11191 1 1213 . 1 1 106 106 TYR CB C 13 38.893 0.300 . 1 . . . . 106 TYR CB . 11191 1 1214 . 1 1 106 106 TYR CD1 C 13 133.129 0.300 . 1 . . . . 106 TYR CD1 . 11191 1 1215 . 1 1 106 106 TYR CD2 C 13 133.129 0.300 . 1 . . . . 106 TYR CD2 . 11191 1 1216 . 1 1 106 106 TYR CE1 C 13 118.241 0.300 . 1 . . . . 106 TYR CE1 . 11191 1 1217 . 1 1 106 106 TYR CE2 C 13 118.241 0.300 . 1 . . . . 106 TYR CE2 . 11191 1 1218 . 1 1 106 106 TYR N N 15 121.307 0.300 . 1 . . . . 106 TYR N . 11191 1 1219 . 1 1 107 107 ARG H H 1 8.116 0.030 . 1 . . . . 107 ARG H . 11191 1 1220 . 1 1 107 107 ARG HA H 1 4.281 0.030 . 1 . . . . 107 ARG HA . 11191 1 1221 . 1 1 107 107 ARG HB2 H 1 1.638 0.030 . 2 . . . . 107 ARG HB2 . 11191 1 1222 . 1 1 107 107 ARG HB3 H 1 1.758 0.030 . 2 . . . . 107 ARG HB3 . 11191 1 1223 . 1 1 107 107 ARG HD2 H 1 3.090 0.030 . 1 . . . . 107 ARG HD2 . 11191 1 1224 . 1 1 107 107 ARG HD3 H 1 3.090 0.030 . 1 . . . . 107 ARG HD3 . 11191 1 1225 . 1 1 107 107 ARG HG2 H 1 1.495 0.030 . 1 . . . . 107 ARG HG2 . 11191 1 1226 . 1 1 107 107 ARG HG3 H 1 1.495 0.030 . 1 . . . . 107 ARG HG3 . 11191 1 1227 . 1 1 107 107 ARG C C 13 175.436 0.300 . 1 . . . . 107 ARG C . 11191 1 1228 . 1 1 107 107 ARG CA C 13 55.810 0.300 . 1 . . . . 107 ARG CA . 11191 1 1229 . 1 1 107 107 ARG CB C 13 31.364 0.300 . 1 . . . . 107 ARG CB . 11191 1 1230 . 1 1 107 107 ARG CD C 13 43.378 0.300 . 1 . . . . 107 ARG CD . 11191 1 1231 . 1 1 107 107 ARG CG C 13 26.983 0.300 . 1 . . . . 107 ARG CG . 11191 1 1232 . 1 1 107 107 ARG N N 15 123.003 0.300 . 1 . . . . 107 ARG N . 11191 1 1233 . 1 1 108 108 ASP H H 1 8.292 0.030 . 1 . . . . 108 ASP H . 11191 1 1234 . 1 1 108 108 ASP HA H 1 4.545 0.030 . 1 . . . . 108 ASP HA . 11191 1 1235 . 1 1 108 108 ASP HB2 H 1 2.598 0.030 . 2 . . . . 108 ASP HB2 . 11191 1 1236 . 1 1 108 108 ASP HB3 H 1 2.713 0.030 . 2 . . . . 108 ASP HB3 . 11191 1 1237 . 1 1 108 108 ASP C C 13 176.366 0.300 . 1 . . . . 108 ASP C . 11191 1 1238 . 1 1 108 108 ASP CA C 13 54.515 0.300 . 1 . . . . 108 ASP CA . 11191 1 1239 . 1 1 108 108 ASP CB C 13 41.260 0.300 . 1 . . . . 108 ASP CB . 11191 1 1240 . 1 1 108 108 ASP N N 15 122.000 0.300 . 1 . . . . 108 ASP N . 11191 1 1241 . 1 1 109 109 GLU H H 1 8.442 0.030 . 1 . . . . 109 GLU H . 11191 1 1242 . 1 1 109 109 GLU HA H 1 4.260 0.030 . 1 . . . . 109 GLU HA . 11191 1 1243 . 1 1 109 109 GLU HB2 H 1 2.073 0.030 . 2 . . . . 109 GLU HB2 . 11191 1 1244 . 1 1 109 109 GLU HB3 H 1 1.920 0.030 . 2 . . . . 109 GLU HB3 . 11191 1 1245 . 1 1 109 109 GLU HG2 H 1 2.256 0.030 . 1 . . . . 109 GLU HG2 . 11191 1 1246 . 1 1 109 109 GLU HG3 H 1 2.256 0.030 . 1 . . . . 109 GLU HG3 . 11191 1 1247 . 1 1 109 109 GLU C C 13 176.717 0.300 . 1 . . . . 109 GLU C . 11191 1 1248 . 1 1 109 109 GLU CA C 13 56.850 0.300 . 1 . . . . 109 GLU CA . 11191 1 1249 . 1 1 109 109 GLU CB C 13 30.326 0.300 . 1 . . . . 109 GLU CB . 11191 1 1250 . 1 1 109 109 GLU CG C 13 36.397 0.300 . 1 . . . . 109 GLU CG . 11191 1 1251 . 1 1 109 109 GLU N N 15 121.241 0.300 . 1 . . . . 109 GLU N . 11191 1 1252 . 1 1 110 110 GLU H H 1 8.429 0.030 . 1 . . . . 110 GLU H . 11191 1 1253 . 1 1 110 110 GLU HA H 1 4.303 0.030 . 1 . . . . 110 GLU HA . 11191 1 1254 . 1 1 110 110 GLU HB2 H 1 1.982 0.030 . 2 . . . . 110 GLU HB2 . 11191 1 1255 . 1 1 110 110 GLU HB3 H 1 2.086 0.030 . 2 . . . . 110 GLU HB3 . 11191 1 1256 . 1 1 110 110 GLU HG2 H 1 2.180 0.030 . 2 . . . . 110 GLU HG2 . 11191 1 1257 . 1 1 110 110 GLU HG3 H 1 2.247 0.030 . 2 . . . . 110 GLU HG3 . 11191 1 1258 . 1 1 110 110 GLU C C 13 176.664 0.300 . 1 . . . . 110 GLU C . 11191 1 1259 . 1 1 110 110 GLU CA C 13 56.823 0.300 . 1 . . . . 110 GLU CA . 11191 1 1260 . 1 1 110 110 GLU CB C 13 30.264 0.300 . 1 . . . . 110 GLU CB . 11191 1 1261 . 1 1 110 110 GLU CG C 13 36.394 0.300 . 1 . . . . 110 GLU CG . 11191 1 1262 . 1 1 110 110 GLU N N 15 121.495 0.300 . 1 . . . . 110 GLU N . 11191 1 1263 . 1 1 111 111 SER H H 1 8.286 0.030 . 1 . . . . 111 SER H . 11191 1 1264 . 1 1 111 111 SER HA H 1 4.469 0.030 . 1 . . . . 111 SER HA . 11191 1 1265 . 1 1 111 111 SER HB2 H 1 3.879 0.030 . 1 . . . . 111 SER HB2 . 11191 1 1266 . 1 1 111 111 SER HB3 H 1 3.879 0.030 . 1 . . . . 111 SER HB3 . 11191 1 1267 . 1 1 111 111 SER C C 13 174.663 0.300 . 1 . . . . 111 SER C . 11191 1 1268 . 1 1 111 111 SER CA C 13 58.523 0.300 . 1 . . . . 111 SER CA . 11191 1 1269 . 1 1 111 111 SER CB C 13 64.015 0.300 . 1 . . . . 111 SER CB . 11191 1 1270 . 1 1 111 111 SER N N 15 116.576 0.300 . 1 . . . . 111 SER N . 11191 1 1271 . 1 1 112 112 GLY H H 1 8.214 0.030 . 1 . . . . 112 GLY H . 11191 1 1272 . 1 1 112 112 GLY HA2 H 1 4.052 0.030 . 2 . . . . 112 GLY HA2 . 11191 1 1273 . 1 1 112 112 GLY HA3 H 1 4.152 0.030 . 2 . . . . 112 GLY HA3 . 11191 1 1274 . 1 1 112 112 GLY C C 13 171.773 0.300 . 1 . . . . 112 GLY C . 11191 1 1275 . 1 1 112 112 GLY CA C 13 44.708 0.300 . 1 . . . . 112 GLY CA . 11191 1 1276 . 1 1 112 112 GLY N N 15 110.650 0.300 . 1 . . . . 112 GLY N . 11191 1 1277 . 1 1 113 113 PRO HA H 1 4.480 0.030 . 1 . . . . 113 PRO HA . 11191 1 1278 . 1 1 113 113 PRO HB2 H 1 1.959 0.030 . 2 . . . . 113 PRO HB2 . 11191 1 1279 . 1 1 113 113 PRO HB3 H 1 2.277 0.030 . 2 . . . . 113 PRO HB3 . 11191 1 1280 . 1 1 113 113 PRO HD2 H 1 3.612 0.030 . 1 . . . . 113 PRO HD2 . 11191 1 1281 . 1 1 113 113 PRO HD3 H 1 3.612 0.030 . 1 . . . . 113 PRO HD3 . 11191 1 1282 . 1 1 113 113 PRO HG2 H 1 2.004 0.030 . 1 . . . . 113 PRO HG2 . 11191 1 1283 . 1 1 113 113 PRO HG3 H 1 2.004 0.030 . 1 . . . . 113 PRO HG3 . 11191 1 1284 . 1 1 113 113 PRO C C 13 177.437 0.300 . 1 . . . . 113 PRO C . 11191 1 1285 . 1 1 113 113 PRO CA C 13 63.240 0.300 . 1 . . . . 113 PRO CA . 11191 1 1286 . 1 1 113 113 PRO CB C 13 32.202 0.300 . 1 . . . . 113 PRO CB . 11191 1 1287 . 1 1 113 113 PRO CD C 13 49.874 0.300 . 1 . . . . 113 PRO CD . 11191 1 1288 . 1 1 113 113 PRO CG C 13 27.196 0.300 . 1 . . . . 113 PRO CG . 11191 1 1289 . 1 1 114 114 SER H H 1 8.531 0.030 . 1 . . . . 114 SER H . 11191 1 1290 . 1 1 114 114 SER HA H 1 4.519 0.030 . 1 . . . . 114 SER HA . 11191 1 1291 . 1 1 114 114 SER HB2 H 1 3.910 0.030 . 1 . . . . 114 SER HB2 . 11191 1 1292 . 1 1 114 114 SER HB3 H 1 3.910 0.030 . 1 . . . . 114 SER HB3 . 11191 1 1293 . 1 1 114 114 SER C C 13 174.734 0.300 . 1 . . . . 114 SER C . 11191 1 1294 . 1 1 114 114 SER CA C 13 58.359 0.300 . 1 . . . . 114 SER CA . 11191 1 1295 . 1 1 114 114 SER CB C 13 63.780 0.300 . 1 . . . . 114 SER CB . 11191 1 1296 . 1 1 114 114 SER N N 15 116.488 0.300 . 1 . . . . 114 SER N . 11191 1 1297 . 1 1 115 115 SER H H 1 8.357 0.030 . 1 . . . . 115 SER H . 11191 1 1298 . 1 1 115 115 SER HA H 1 4.514 0.030 . 1 . . . . 115 SER HA . 11191 1 1299 . 1 1 115 115 SER HB2 H 1 3.904 0.030 . 1 . . . . 115 SER HB2 . 11191 1 1300 . 1 1 115 115 SER HB3 H 1 3.904 0.030 . 1 . . . . 115 SER HB3 . 11191 1 1301 . 1 1 115 115 SER C C 13 173.944 0.300 . 1 . . . . 115 SER C . 11191 1 1302 . 1 1 115 115 SER CA C 13 58.441 0.300 . 1 . . . . 115 SER CA . 11191 1 1303 . 1 1 115 115 SER CB C 13 64.093 0.300 . 1 . . . . 115 SER CB . 11191 1 1304 . 1 1 115 115 SER N N 15 117.998 0.300 . 1 . . . . 115 SER N . 11191 1 1305 . 1 1 116 116 GLY H H 1 8.063 0.030 . 1 . . . . 116 GLY H . 11191 1 1306 . 1 1 116 116 GLY HA2 H 1 3.774 0.030 . 1 . . . . 116 GLY HA2 . 11191 1 1307 . 1 1 116 116 GLY HA3 H 1 3.774 0.030 . 1 . . . . 116 GLY HA3 . 11191 1 1308 . 1 1 116 116 GLY C C 13 178.990 0.300 . 1 . . . . 116 GLY C . 11191 1 1309 . 1 1 116 116 GLY CA C 13 46.209 0.300 . 1 . . . . 116 GLY CA . 11191 1 1310 . 1 1 116 116 GLY N N 15 116.876 0.300 . 1 . . . . 116 GLY N . 11191 1 stop_ save_