data_11119 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11119 _Entry.Title ; The solution structure of the first fibronectin type III domain of human Neogenin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11119 2 A. Sasagawa . . . 11119 3 S. Koshiba . . . 11119 4 M. Inoue . . . 11119 5 T. Kigawa . . . 11119 6 S. Yokoyama . . . 11119 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)' . 11119 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11119 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 486 11119 '15N chemical shifts' 114 11119 '1H chemical shifts' 752 11119 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 . . 2011-04-01 2010-03-31 original author . 11119 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5F 'BMRB Entry Tracking System' 11119 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11119 _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 ; The solution structure of the first fibronectin type III domain of human Neogenin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 11119 1 2 A. Sasagawa . . . 11119 1 3 S. Koshiba . . . 11119 1 4 M. Inoue . . . 11119 1 5 T. Kigawa . . . 11119 1 6 S. Yokoyama . . . 11119 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11119 _Assembly.ID 1 _Assembly.Name Neogenin _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 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11119 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 1x5f . . . . . . 11119 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11119 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 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 ; GSSGSSGEHAPATTGPLPSA PRDVVASLVSTRFIKLTWRT PASDPHGDNLTYSVFYTKEG IARERVENTSHPGEMQVTIQ NLMPATVYIFRVMAQNKHGS GESSAPLRVETQPESGPSSG ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X5F . "The Solution Structure Of The First Fibronectin Type Iii Domain Of Human Neogenin" . . . . . 100.00 120 100.00 100.00 1.17e-80 . . . . 11119 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11119 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 . 11119 1 2 . SER . 11119 1 3 . SER . 11119 1 4 . GLY . 11119 1 5 . SER . 11119 1 6 . SER . 11119 1 7 . GLY . 11119 1 8 . GLU . 11119 1 9 . HIS . 11119 1 10 . ALA . 11119 1 11 . PRO . 11119 1 12 . ALA . 11119 1 13 . THR . 11119 1 14 . THR . 11119 1 15 . GLY . 11119 1 16 . PRO . 11119 1 17 . LEU . 11119 1 18 . PRO . 11119 1 19 . SER . 11119 1 20 . ALA . 11119 1 21 . PRO . 11119 1 22 . ARG . 11119 1 23 . ASP . 11119 1 24 . VAL . 11119 1 25 . VAL . 11119 1 26 . ALA . 11119 1 27 . SER . 11119 1 28 . LEU . 11119 1 29 . VAL . 11119 1 30 . SER . 11119 1 31 . THR . 11119 1 32 . ARG . 11119 1 33 . PHE . 11119 1 34 . ILE . 11119 1 35 . LYS . 11119 1 36 . LEU . 11119 1 37 . THR . 11119 1 38 . TRP . 11119 1 39 . ARG . 11119 1 40 . THR . 11119 1 41 . PRO . 11119 1 42 . ALA . 11119 1 43 . SER . 11119 1 44 . ASP . 11119 1 45 . PRO . 11119 1 46 . HIS . 11119 1 47 . GLY . 11119 1 48 . ASP . 11119 1 49 . ASN . 11119 1 50 . LEU . 11119 1 51 . THR . 11119 1 52 . TYR . 11119 1 53 . SER . 11119 1 54 . VAL . 11119 1 55 . PHE . 11119 1 56 . TYR . 11119 1 57 . THR . 11119 1 58 . LYS . 11119 1 59 . GLU . 11119 1 60 . GLY . 11119 1 61 . ILE . 11119 1 62 . ALA . 11119 1 63 . ARG . 11119 1 64 . GLU . 11119 1 65 . ARG . 11119 1 66 . VAL . 11119 1 67 . GLU . 11119 1 68 . ASN . 11119 1 69 . THR . 11119 1 70 . SER . 11119 1 71 . HIS . 11119 1 72 . PRO . 11119 1 73 . GLY . 11119 1 74 . GLU . 11119 1 75 . MET . 11119 1 76 . GLN . 11119 1 77 . VAL . 11119 1 78 . THR . 11119 1 79 . ILE . 11119 1 80 . GLN . 11119 1 81 . ASN . 11119 1 82 . LEU . 11119 1 83 . MET . 11119 1 84 . PRO . 11119 1 85 . ALA . 11119 1 86 . THR . 11119 1 87 . VAL . 11119 1 88 . TYR . 11119 1 89 . ILE . 11119 1 90 . PHE . 11119 1 91 . ARG . 11119 1 92 . VAL . 11119 1 93 . MET . 11119 1 94 . ALA . 11119 1 95 . GLN . 11119 1 96 . ASN . 11119 1 97 . LYS . 11119 1 98 . HIS . 11119 1 99 . GLY . 11119 1 100 . SER . 11119 1 101 . GLY . 11119 1 102 . GLU . 11119 1 103 . SER . 11119 1 104 . SER . 11119 1 105 . ALA . 11119 1 106 . PRO . 11119 1 107 . LEU . 11119 1 108 . ARG . 11119 1 109 . VAL . 11119 1 110 . GLU . 11119 1 111 . THR . 11119 1 112 . GLN . 11119 1 113 . PRO . 11119 1 114 . GLU . 11119 1 115 . SER . 11119 1 116 . GLY . 11119 1 117 . PRO . 11119 1 118 . SER . 11119 1 119 . SER . 11119 1 120 . GLY . 11119 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 11119 1 . SER 2 2 11119 1 . SER 3 3 11119 1 . GLY 4 4 11119 1 . SER 5 5 11119 1 . SER 6 6 11119 1 . GLY 7 7 11119 1 . GLU 8 8 11119 1 . HIS 9 9 11119 1 . ALA 10 10 11119 1 . PRO 11 11 11119 1 . ALA 12 12 11119 1 . THR 13 13 11119 1 . THR 14 14 11119 1 . GLY 15 15 11119 1 . PRO 16 16 11119 1 . LEU 17 17 11119 1 . PRO 18 18 11119 1 . SER 19 19 11119 1 . ALA 20 20 11119 1 . PRO 21 21 11119 1 . ARG 22 22 11119 1 . ASP 23 23 11119 1 . VAL 24 24 11119 1 . VAL 25 25 11119 1 . ALA 26 26 11119 1 . SER 27 27 11119 1 . LEU 28 28 11119 1 . VAL 29 29 11119 1 . SER 30 30 11119 1 . THR 31 31 11119 1 . ARG 32 32 11119 1 . PHE 33 33 11119 1 . ILE 34 34 11119 1 . LYS 35 35 11119 1 . LEU 36 36 11119 1 . THR 37 37 11119 1 . TRP 38 38 11119 1 . ARG 39 39 11119 1 . THR 40 40 11119 1 . PRO 41 41 11119 1 . ALA 42 42 11119 1 . SER 43 43 11119 1 . ASP 44 44 11119 1 . PRO 45 45 11119 1 . HIS 46 46 11119 1 . GLY 47 47 11119 1 . ASP 48 48 11119 1 . ASN 49 49 11119 1 . LEU 50 50 11119 1 . THR 51 51 11119 1 . TYR 52 52 11119 1 . SER 53 53 11119 1 . VAL 54 54 11119 1 . PHE 55 55 11119 1 . TYR 56 56 11119 1 . THR 57 57 11119 1 . LYS 58 58 11119 1 . GLU 59 59 11119 1 . GLY 60 60 11119 1 . ILE 61 61 11119 1 . ALA 62 62 11119 1 . ARG 63 63 11119 1 . GLU 64 64 11119 1 . ARG 65 65 11119 1 . VAL 66 66 11119 1 . GLU 67 67 11119 1 . ASN 68 68 11119 1 . THR 69 69 11119 1 . SER 70 70 11119 1 . HIS 71 71 11119 1 . PRO 72 72 11119 1 . GLY 73 73 11119 1 . GLU 74 74 11119 1 . MET 75 75 11119 1 . GLN 76 76 11119 1 . VAL 77 77 11119 1 . THR 78 78 11119 1 . ILE 79 79 11119 1 . GLN 80 80 11119 1 . ASN 81 81 11119 1 . LEU 82 82 11119 1 . MET 83 83 11119 1 . PRO 84 84 11119 1 . ALA 85 85 11119 1 . THR 86 86 11119 1 . VAL 87 87 11119 1 . TYR 88 88 11119 1 . ILE 89 89 11119 1 . PHE 90 90 11119 1 . ARG 91 91 11119 1 . VAL 92 92 11119 1 . MET 93 93 11119 1 . ALA 94 94 11119 1 . GLN 95 95 11119 1 . ASN 96 96 11119 1 . LYS 97 97 11119 1 . HIS 98 98 11119 1 . GLY 99 99 11119 1 . SER 100 100 11119 1 . GLY 101 101 11119 1 . GLU 102 102 11119 1 . SER 103 103 11119 1 . SER 104 104 11119 1 . ALA 105 105 11119 1 . PRO 106 106 11119 1 . LEU 107 107 11119 1 . ARG 108 108 11119 1 . VAL 109 109 11119 1 . GLU 110 110 11119 1 . THR 111 111 11119 1 . GLN 112 112 11119 1 . PRO 113 113 11119 1 . GLU 114 114 11119 1 . SER 115 115 11119 1 . GLY 116 116 11119 1 . PRO 117 117 11119 1 . SER 118 118 11119 1 . SER 119 119 11119 1 . GLY 120 120 11119 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 11119 _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 . . . . . . . . . . . . . . . . . . . . . 11119 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 11119 _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 . . . . . . . . . . . . . . . . P041213-02 . . . . . . 11119 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11119 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.9mM FN3 domain {U-15N,13C;} 20mM d-Tris {HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.9 . . mM . . . . 11119 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11119 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11119 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11119 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11119 1 6 H2O . . . . . . solvent 90 . . % . . . . 11119 1 7 D2O . . . . . . solvent 10 . . % . . . . 11119 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 11119 _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 11119 1 pH 7.0 0.05 pH 11119 1 pressure 1 0.001 atm 11119 1 temperature 296 0.1 K 11119 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11119 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11119 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11119 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11119 _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.' . . 11119 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11119 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11119 _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.' . . 11119 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11119 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11119 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11119 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11119 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11119 _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.' . . 11119 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11119 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 11119 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11119 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11119 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 11119 _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 . . . . . . . . . . . . . . . . 11119 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11119 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 11119 _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 . . . . . . . . . 11119 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11119 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11119 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 11119 _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 11119 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11119 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11119 1 2 $NMRPipe . . 11119 1 3 $NMRView . . 11119 1 4 $KUJIRA . . 11119 1 5 $CYANA . . 11119 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 H H 1 8.392 0.030 . 1 . . . . 7 GLY H . 11119 1 2 . 1 1 7 7 GLY HA2 H 1 3.951 0.030 . 1 . . . . 7 GLY HA2 . 11119 1 3 . 1 1 7 7 GLY HA3 H 1 3.951 0.030 . 1 . . . . 7 GLY HA3 . 11119 1 4 . 1 1 7 7 GLY C C 13 174.145 0.300 . 1 . . . . 7 GLY C . 11119 1 5 . 1 1 7 7 GLY CA C 13 45.321 0.300 . 1 . . . . 7 GLY CA . 11119 1 6 . 1 1 7 7 GLY N N 15 110.690 0.300 . 1 . . . . 7 GLY N . 11119 1 7 . 1 1 8 8 GLU H H 1 8.245 0.030 . 1 . . . . 8 GLU H . 11119 1 8 . 1 1 8 8 GLU HA H 1 4.225 0.030 . 1 . . . . 8 GLU HA . 11119 1 9 . 1 1 8 8 GLU HB2 H 1 1.939 0.030 . 2 . . . . 8 GLU HB2 . 11119 1 10 . 1 1 8 8 GLU HB3 H 1 1.851 0.030 . 2 . . . . 8 GLU HB3 . 11119 1 11 . 1 1 8 8 GLU HG2 H 1 2.116 0.030 . 2 . . . . 8 GLU HG2 . 11119 1 12 . 1 1 8 8 GLU C C 13 176.225 0.300 . 1 . . . . 8 GLU C . 11119 1 13 . 1 1 8 8 GLU CA C 13 56.588 0.300 . 1 . . . . 8 GLU CA . 11119 1 14 . 1 1 8 8 GLU CB C 13 30.298 0.300 . 1 . . . . 8 GLU CB . 11119 1 15 . 1 1 8 8 GLU CG C 13 36.172 0.300 . 1 . . . . 8 GLU CG . 11119 1 16 . 1 1 8 8 GLU N N 15 120.530 0.300 . 1 . . . . 8 GLU N . 11119 1 17 . 1 1 9 9 HIS H H 1 8.342 0.030 . 1 . . . . 9 HIS H . 11119 1 18 . 1 1 9 9 HIS HA H 1 4.637 0.030 . 1 . . . . 9 HIS HA . 11119 1 19 . 1 1 9 9 HIS HB2 H 1 3.147 0.030 . 2 . . . . 9 HIS HB2 . 11119 1 20 . 1 1 9 9 HIS HB3 H 1 3.037 0.030 . 2 . . . . 9 HIS HB3 . 11119 1 21 . 1 1 9 9 HIS HD2 H 1 7.050 0.030 . 1 . . . . 9 HIS HD2 . 11119 1 22 . 1 1 9 9 HIS C C 13 174.627 0.300 . 1 . . . . 9 HIS C . 11119 1 23 . 1 1 9 9 HIS CA C 13 55.740 0.300 . 1 . . . . 9 HIS CA . 11119 1 24 . 1 1 9 9 HIS CB C 13 30.649 0.300 . 1 . . . . 9 HIS CB . 11119 1 25 . 1 1 9 9 HIS CD2 C 13 120.189 0.300 . 1 . . . . 9 HIS CD2 . 11119 1 26 . 1 1 9 9 HIS N N 15 120.315 0.300 . 1 . . . . 9 HIS N . 11119 1 27 . 1 1 10 10 ALA H H 1 8.263 0.030 . 1 . . . . 10 ALA H . 11119 1 28 . 1 1 10 10 ALA HA H 1 4.600 0.030 . 1 . . . . 10 ALA HA . 11119 1 29 . 1 1 10 10 ALA HB1 H 1 1.337 0.030 . 1 . . . . 10 ALA HB . 11119 1 30 . 1 1 10 10 ALA HB2 H 1 1.337 0.030 . 1 . . . . 10 ALA HB . 11119 1 31 . 1 1 10 10 ALA HB3 H 1 1.337 0.030 . 1 . . . . 10 ALA HB . 11119 1 32 . 1 1 10 10 ALA C C 13 175.215 0.300 . 1 . . . . 10 ALA C . 11119 1 33 . 1 1 10 10 ALA CA C 13 50.490 0.300 . 1 . . . . 10 ALA CA . 11119 1 34 . 1 1 10 10 ALA CB C 13 18.221 0.300 . 1 . . . . 10 ALA CB . 11119 1 35 . 1 1 10 10 ALA N N 15 126.892 0.300 . 1 . . . . 10 ALA N . 11119 1 36 . 1 1 11 11 PRO HA H 1 4.430 0.030 . 1 . . . . 11 PRO HA . 11119 1 37 . 1 1 11 11 PRO HB2 H 1 2.281 0.030 . 2 . . . . 11 PRO HB2 . 11119 1 38 . 1 1 11 11 PRO HB3 H 1 1.908 0.030 . 2 . . . . 11 PRO HB3 . 11119 1 39 . 1 1 11 11 PRO HD2 H 1 3.749 0.030 . 2 . . . . 11 PRO HD2 . 11119 1 40 . 1 1 11 11 PRO HD3 H 1 3.635 0.030 . 2 . . . . 11 PRO HD3 . 11119 1 41 . 1 1 11 11 PRO HG2 H 1 2.001 0.030 . 2 . . . . 11 PRO HG2 . 11119 1 42 . 1 1 11 11 PRO HG3 H 1 1.908 0.030 . 2 . . . . 11 PRO HG3 . 11119 1 43 . 1 1 11 11 PRO C C 13 176.639 0.300 . 1 . . . . 11 PRO C . 11119 1 44 . 1 1 11 11 PRO CA C 13 62.953 0.300 . 1 . . . . 11 PRO CA . 11119 1 45 . 1 1 11 11 PRO CB C 13 31.878 0.300 . 1 . . . . 11 PRO CB . 11119 1 46 . 1 1 11 11 PRO CD C 13 50.397 0.300 . 1 . . . . 11 PRO CD . 11119 1 47 . 1 1 11 11 PRO CG C 13 27.196 0.300 . 1 . . . . 11 PRO CG . 11119 1 48 . 1 1 12 12 ALA H H 1 8.482 0.030 . 1 . . . . 12 ALA H . 11119 1 49 . 1 1 12 12 ALA HA H 1 4.389 0.030 . 1 . . . . 12 ALA HA . 11119 1 50 . 1 1 12 12 ALA HB1 H 1 1.432 0.030 . 1 . . . . 12 ALA HB . 11119 1 51 . 1 1 12 12 ALA HB2 H 1 1.432 0.030 . 1 . . . . 12 ALA HB . 11119 1 52 . 1 1 12 12 ALA HB3 H 1 1.432 0.030 . 1 . . . . 12 ALA HB . 11119 1 53 . 1 1 12 12 ALA C C 13 178.103 0.300 . 1 . . . . 12 ALA C . 11119 1 54 . 1 1 12 12 ALA CA C 13 52.481 0.300 . 1 . . . . 12 ALA CA . 11119 1 55 . 1 1 12 12 ALA CB C 13 19.334 0.300 . 1 . . . . 12 ALA CB . 11119 1 56 . 1 1 12 12 ALA N N 15 124.441 0.300 . 1 . . . . 12 ALA N . 11119 1 57 . 1 1 13 13 THR H H 1 8.192 0.030 . 1 . . . . 13 THR H . 11119 1 58 . 1 1 13 13 THR HA H 1 4.497 0.030 . 1 . . . . 13 THR HA . 11119 1 59 . 1 1 13 13 THR HB H 1 4.279 0.030 . 1 . . . . 13 THR HB . 11119 1 60 . 1 1 13 13 THR HG21 H 1 1.235 0.030 . 1 . . . . 13 THR HG2 . 11119 1 61 . 1 1 13 13 THR HG22 H 1 1.235 0.030 . 1 . . . . 13 THR HG2 . 11119 1 62 . 1 1 13 13 THR HG23 H 1 1.235 0.030 . 1 . . . . 13 THR HG2 . 11119 1 63 . 1 1 13 13 THR C C 13 174.901 0.300 . 1 . . . . 13 THR C . 11119 1 64 . 1 1 13 13 THR CA C 13 61.423 0.300 . 1 . . . . 13 THR CA . 11119 1 65 . 1 1 13 13 THR CB C 13 70.239 0.300 . 1 . . . . 13 THR CB . 11119 1 66 . 1 1 13 13 THR CG2 C 13 21.692 0.300 . 1 . . . . 13 THR CG2 . 11119 1 67 . 1 1 13 13 THR N N 15 113.216 0.300 . 1 . . . . 13 THR N . 11119 1 68 . 1 1 14 14 THR H H 1 8.275 0.030 . 1 . . . . 14 THR H . 11119 1 69 . 1 1 14 14 THR HA H 1 4.358 0.030 . 1 . . . . 14 THR HA . 11119 1 70 . 1 1 14 14 THR HB H 1 4.290 0.030 . 1 . . . . 14 THR HB . 11119 1 71 . 1 1 14 14 THR HG21 H 1 1.221 0.030 . 1 . . . . 14 THR HG2 . 11119 1 72 . 1 1 14 14 THR HG22 H 1 1.221 0.030 . 1 . . . . 14 THR HG2 . 11119 1 73 . 1 1 14 14 THR HG23 H 1 1.221 0.030 . 1 . . . . 14 THR HG2 . 11119 1 74 . 1 1 14 14 THR C C 13 174.283 0.300 . 1 . . . . 14 THR C . 11119 1 75 . 1 1 14 14 THR CA C 13 61.696 0.300 . 1 . . . . 14 THR CA . 11119 1 76 . 1 1 14 14 THR CB C 13 69.904 0.300 . 1 . . . . 14 THR CB . 11119 1 77 . 1 1 14 14 THR CG2 C 13 21.548 0.300 . 1 . . . . 14 THR CG2 . 11119 1 78 . 1 1 14 14 THR N N 15 115.052 0.300 . 1 . . . . 14 THR N . 11119 1 79 . 1 1 15 15 GLY H H 1 7.698 0.030 . 1 . . . . 15 GLY H . 11119 1 80 . 1 1 15 15 GLY HA2 H 1 3.832 0.030 . 2 . . . . 15 GLY HA2 . 11119 1 81 . 1 1 15 15 GLY HA3 H 1 2.901 0.030 . 2 . . . . 15 GLY HA3 . 11119 1 82 . 1 1 15 15 GLY C C 13 170.420 0.300 . 1 . . . . 15 GLY C . 11119 1 83 . 1 1 15 15 GLY CA C 13 44.135 0.300 . 1 . . . . 15 GLY CA . 11119 1 84 . 1 1 15 15 GLY N N 15 110.735 0.300 . 1 . . . . 15 GLY N . 11119 1 85 . 1 1 16 16 PRO HA H 1 4.323 0.030 . 1 . . . . 16 PRO HA . 11119 1 86 . 1 1 16 16 PRO HB2 H 1 2.105 0.030 . 2 . . . . 16 PRO HB2 . 11119 1 87 . 1 1 16 16 PRO HB3 H 1 1.858 0.030 . 2 . . . . 16 PRO HB3 . 11119 1 88 . 1 1 16 16 PRO HD2 H 1 3.238 0.030 . 2 . . . . 16 PRO HD2 . 11119 1 89 . 1 1 16 16 PRO HD3 H 1 3.389 0.030 . 2 . . . . 16 PRO HD3 . 11119 1 90 . 1 1 16 16 PRO HG2 H 1 1.970 0.030 . 2 . . . . 16 PRO HG2 . 11119 1 91 . 1 1 16 16 PRO HG3 H 1 1.912 0.030 . 2 . . . . 16 PRO HG3 . 11119 1 92 . 1 1 16 16 PRO C C 13 176.039 0.300 . 1 . . . . 16 PRO C . 11119 1 93 . 1 1 16 16 PRO CA C 13 62.921 0.300 . 1 . . . . 16 PRO CA . 11119 1 94 . 1 1 16 16 PRO CB C 13 31.915 0.300 . 1 . . . . 16 PRO CB . 11119 1 95 . 1 1 16 16 PRO CD C 13 49.470 0.300 . 1 . . . . 16 PRO CD . 11119 1 96 . 1 1 16 16 PRO CG C 13 27.029 0.300 . 1 . . . . 16 PRO CG . 11119 1 97 . 1 1 17 17 LEU H H 1 8.161 0.030 . 1 . . . . 17 LEU H . 11119 1 98 . 1 1 17 17 LEU HA H 1 4.659 0.030 . 1 . . . . 17 LEU HA . 11119 1 99 . 1 1 17 17 LEU HB2 H 1 1.663 0.030 . 2 . . . . 17 LEU HB2 . 11119 1 100 . 1 1 17 17 LEU HB3 H 1 1.220 0.030 . 2 . . . . 17 LEU HB3 . 11119 1 101 . 1 1 17 17 LEU HD11 H 1 0.972 0.030 . 1 . . . . 17 LEU HD1 . 11119 1 102 . 1 1 17 17 LEU HD12 H 1 0.972 0.030 . 1 . . . . 17 LEU HD1 . 11119 1 103 . 1 1 17 17 LEU HD13 H 1 0.972 0.030 . 1 . . . . 17 LEU HD1 . 11119 1 104 . 1 1 17 17 LEU HD21 H 1 0.689 0.030 . 1 . . . . 17 LEU HD2 . 11119 1 105 . 1 1 17 17 LEU HD22 H 1 0.689 0.030 . 1 . . . . 17 LEU HD2 . 11119 1 106 . 1 1 17 17 LEU HD23 H 1 0.689 0.030 . 1 . . . . 17 LEU HD2 . 11119 1 107 . 1 1 17 17 LEU HG H 1 1.722 0.030 . 1 . . . . 17 LEU HG . 11119 1 108 . 1 1 17 17 LEU C C 13 175.203 0.300 . 1 . . . . 17 LEU C . 11119 1 109 . 1 1 17 17 LEU CA C 13 52.108 0.300 . 1 . . . . 17 LEU CA . 11119 1 110 . 1 1 17 17 LEU CB C 13 41.529 0.300 . 1 . . . . 17 LEU CB . 11119 1 111 . 1 1 17 17 LEU CD1 C 13 25.022 0.300 . 2 . . . . 17 LEU CD1 . 11119 1 112 . 1 1 17 17 LEU CD2 C 13 22.269 0.300 . 2 . . . . 17 LEU CD2 . 11119 1 113 . 1 1 17 17 LEU CG C 13 26.761 0.300 . 1 . . . . 17 LEU CG . 11119 1 114 . 1 1 17 17 LEU N N 15 122.685 0.300 . 1 . . . . 17 LEU N . 11119 1 115 . 1 1 18 18 PRO HA H 1 4.660 0.030 . 1 . . . . 18 PRO HA . 11119 1 116 . 1 1 18 18 PRO HB2 H 1 2.193 0.030 . 2 . . . . 18 PRO HB2 . 11119 1 117 . 1 1 18 18 PRO HB3 H 1 2.054 0.030 . 2 . . . . 18 PRO HB3 . 11119 1 118 . 1 1 18 18 PRO HD2 H 1 3.750 0.030 . 2 . . . . 18 PRO HD2 . 11119 1 119 . 1 1 18 18 PRO HD3 H 1 3.179 0.030 . 2 . . . . 18 PRO HD3 . 11119 1 120 . 1 1 18 18 PRO HG2 H 1 1.703 0.030 . 2 . . . . 18 PRO HG2 . 11119 1 121 . 1 1 18 18 PRO HG3 H 1 1.770 0.030 . 2 . . . . 18 PRO HG3 . 11119 1 122 . 1 1 18 18 PRO C C 13 177.015 0.300 . 1 . . . . 18 PRO C . 11119 1 123 . 1 1 18 18 PRO CA C 13 62.403 0.300 . 1 . . . . 18 PRO CA . 11119 1 124 . 1 1 18 18 PRO CB C 13 32.462 0.300 . 1 . . . . 18 PRO CB . 11119 1 125 . 1 1 18 18 PRO CD C 13 49.643 0.300 . 1 . . . . 18 PRO CD . 11119 1 126 . 1 1 18 18 PRO CG C 13 27.696 0.300 . 1 . . . . 18 PRO CG . 11119 1 127 . 1 1 19 19 SER H H 1 8.909 0.030 . 1 . . . . 19 SER H . 11119 1 128 . 1 1 19 19 SER HA H 1 4.541 0.030 . 1 . . . . 19 SER HA . 11119 1 129 . 1 1 19 19 SER HB2 H 1 3.936 0.030 . 2 . . . . 19 SER HB2 . 11119 1 130 . 1 1 19 19 SER HB3 H 1 4.545 0.030 . 2 . . . . 19 SER HB3 . 11119 1 131 . 1 1 19 19 SER C C 13 173.572 0.300 . 1 . . . . 19 SER C . 11119 1 132 . 1 1 19 19 SER CA C 13 58.002 0.300 . 1 . . . . 19 SER CA . 11119 1 133 . 1 1 19 19 SER CB C 13 64.015 0.300 . 1 . . . . 19 SER CB . 11119 1 134 . 1 1 19 19 SER N N 15 116.127 0.300 . 1 . . . . 19 SER N . 11119 1 135 . 1 1 20 20 ALA H H 1 8.521 0.030 . 1 . . . . 20 ALA H . 11119 1 136 . 1 1 20 20 ALA HA H 1 4.656 0.030 . 1 . . . . 20 ALA HA . 11119 1 137 . 1 1 20 20 ALA HB1 H 1 1.138 0.030 . 1 . . . . 20 ALA HB . 11119 1 138 . 1 1 20 20 ALA HB2 H 1 1.138 0.030 . 1 . . . . 20 ALA HB . 11119 1 139 . 1 1 20 20 ALA HB3 H 1 1.138 0.030 . 1 . . . . 20 ALA HB . 11119 1 140 . 1 1 20 20 ALA C C 13 176.587 0.300 . 1 . . . . 20 ALA C . 11119 1 141 . 1 1 20 20 ALA CA C 13 51.267 0.300 . 1 . . . . 20 ALA CA . 11119 1 142 . 1 1 20 20 ALA CB C 13 17.808 0.300 . 1 . . . . 20 ALA CB . 11119 1 143 . 1 1 20 20 ALA N N 15 121.565 0.300 . 1 . . . . 20 ALA N . 11119 1 144 . 1 1 21 21 PRO HA H 1 4.173 0.030 . 1 . . . . 21 PRO HA . 11119 1 145 . 1 1 21 21 PRO HB2 H 1 2.213 0.030 . 2 . . . . 21 PRO HB2 . 11119 1 146 . 1 1 21 21 PRO HB3 H 1 1.342 0.030 . 2 . . . . 21 PRO HB3 . 11119 1 147 . 1 1 21 21 PRO HD2 H 1 3.540 0.030 . 2 . . . . 21 PRO HD2 . 11119 1 148 . 1 1 21 21 PRO HD3 H 1 4.454 0.030 . 2 . . . . 21 PRO HD3 . 11119 1 149 . 1 1 21 21 PRO HG2 H 1 1.637 0.030 . 2 . . . . 21 PRO HG2 . 11119 1 150 . 1 1 21 21 PRO HG3 H 1 1.660 0.030 . 2 . . . . 21 PRO HG3 . 11119 1 151 . 1 1 21 21 PRO C C 13 174.746 0.300 . 1 . . . . 21 PRO C . 11119 1 152 . 1 1 21 21 PRO CA C 13 63.750 0.300 . 1 . . . . 21 PRO CA . 11119 1 153 . 1 1 21 21 PRO CB C 13 31.732 0.300 . 1 . . . . 21 PRO CB . 11119 1 154 . 1 1 21 21 PRO CD C 13 50.566 0.300 . 1 . . . . 21 PRO CD . 11119 1 155 . 1 1 21 21 PRO CG C 13 29.015 0.300 . 1 . . . . 21 PRO CG . 11119 1 156 . 1 1 22 22 ARG H H 1 7.155 0.030 . 1 . . . . 22 ARG H . 11119 1 157 . 1 1 22 22 ARG HA H 1 4.520 0.030 . 1 . . . . 22 ARG HA . 11119 1 158 . 1 1 22 22 ARG HB2 H 1 1.772 0.030 . 2 . . . . 22 ARG HB2 . 11119 1 159 . 1 1 22 22 ARG HB3 H 1 1.564 0.030 . 2 . . . . 22 ARG HB3 . 11119 1 160 . 1 1 22 22 ARG HD2 H 1 3.347 0.030 . 2 . . . . 22 ARG HD2 . 11119 1 161 . 1 1 22 22 ARG HD3 H 1 3.198 0.030 . 2 . . . . 22 ARG HD3 . 11119 1 162 . 1 1 22 22 ARG HE H 1 7.594 0.030 . 1 . . . . 22 ARG HE . 11119 1 163 . 1 1 22 22 ARG HG2 H 1 1.840 0.030 . 2 . . . . 22 ARG HG2 . 11119 1 164 . 1 1 22 22 ARG HG3 H 1 1.931 0.030 . 2 . . . . 22 ARG HG3 . 11119 1 165 . 1 1 22 22 ARG C C 13 174.786 0.300 . 1 . . . . 22 ARG C . 11119 1 166 . 1 1 22 22 ARG CA C 13 55.183 0.300 . 1 . . . . 22 ARG CA . 11119 1 167 . 1 1 22 22 ARG CB C 13 34.359 0.300 . 1 . . . . 22 ARG CB . 11119 1 168 . 1 1 22 22 ARG CD C 13 43.835 0.300 . 1 . . . . 22 ARG CD . 11119 1 169 . 1 1 22 22 ARG CG C 13 27.743 0.300 . 1 . . . . 22 ARG CG . 11119 1 170 . 1 1 22 22 ARG N N 15 120.025 0.300 . 1 . . . . 22 ARG N . 11119 1 171 . 1 1 22 22 ARG NE N 15 83.362 0.300 . 1 . . . . 22 ARG NE . 11119 1 172 . 1 1 23 23 ASP H H 1 8.736 0.030 . 1 . . . . 23 ASP H . 11119 1 173 . 1 1 23 23 ASP HA H 1 4.166 0.030 . 1 . . . . 23 ASP HA . 11119 1 174 . 1 1 23 23 ASP HB2 H 1 2.748 0.030 . 2 . . . . 23 ASP HB2 . 11119 1 175 . 1 1 23 23 ASP HB3 H 1 2.522 0.030 . 2 . . . . 23 ASP HB3 . 11119 1 176 . 1 1 23 23 ASP C C 13 173.746 0.300 . 1 . . . . 23 ASP C . 11119 1 177 . 1 1 23 23 ASP CA C 13 55.064 0.300 . 1 . . . . 23 ASP CA . 11119 1 178 . 1 1 23 23 ASP CB C 13 39.812 0.300 . 1 . . . . 23 ASP CB . 11119 1 179 . 1 1 23 23 ASP N N 15 117.628 0.300 . 1 . . . . 23 ASP N . 11119 1 180 . 1 1 24 24 VAL H H 1 8.037 0.030 . 1 . . . . 24 VAL H . 11119 1 181 . 1 1 24 24 VAL HA H 1 4.618 0.030 . 1 . . . . 24 VAL HA . 11119 1 182 . 1 1 24 24 VAL HB H 1 2.151 0.030 . 1 . . . . 24 VAL HB . 11119 1 183 . 1 1 24 24 VAL HG11 H 1 0.940 0.030 . 1 . . . . 24 VAL HG1 . 11119 1 184 . 1 1 24 24 VAL HG12 H 1 0.940 0.030 . 1 . . . . 24 VAL HG1 . 11119 1 185 . 1 1 24 24 VAL HG13 H 1 0.940 0.030 . 1 . . . . 24 VAL HG1 . 11119 1 186 . 1 1 24 24 VAL HG21 H 1 0.889 0.030 . 1 . . . . 24 VAL HG2 . 11119 1 187 . 1 1 24 24 VAL HG22 H 1 0.889 0.030 . 1 . . . . 24 VAL HG2 . 11119 1 188 . 1 1 24 24 VAL HG23 H 1 0.889 0.030 . 1 . . . . 24 VAL HG2 . 11119 1 189 . 1 1 24 24 VAL C C 13 176.920 0.300 . 1 . . . . 24 VAL C . 11119 1 190 . 1 1 24 24 VAL CA C 13 63.348 0.300 . 1 . . . . 24 VAL CA . 11119 1 191 . 1 1 24 24 VAL CB C 13 30.862 0.300 . 1 . . . . 24 VAL CB . 11119 1 192 . 1 1 24 24 VAL CG1 C 13 22.242 0.300 . 2 . . . . 24 VAL CG1 . 11119 1 193 . 1 1 24 24 VAL CG2 C 13 20.358 0.300 . 2 . . . . 24 VAL CG2 . 11119 1 194 . 1 1 24 24 VAL N N 15 118.376 0.300 . 1 . . . . 24 VAL N . 11119 1 195 . 1 1 25 25 VAL H H 1 9.191 0.030 . 1 . . . . 25 VAL H . 11119 1 196 . 1 1 25 25 VAL HA H 1 4.413 0.030 . 1 . . . . 25 VAL HA . 11119 1 197 . 1 1 25 25 VAL HB H 1 1.871 0.030 . 1 . . . . 25 VAL HB . 11119 1 198 . 1 1 25 25 VAL HG11 H 1 0.763 0.030 . 1 . . . . 25 VAL HG1 . 11119 1 199 . 1 1 25 25 VAL HG12 H 1 0.763 0.030 . 1 . . . . 25 VAL HG1 . 11119 1 200 . 1 1 25 25 VAL HG13 H 1 0.763 0.030 . 1 . . . . 25 VAL HG1 . 11119 1 201 . 1 1 25 25 VAL HG21 H 1 0.781 0.030 . 1 . . . . 25 VAL HG2 . 11119 1 202 . 1 1 25 25 VAL HG22 H 1 0.781 0.030 . 1 . . . . 25 VAL HG2 . 11119 1 203 . 1 1 25 25 VAL HG23 H 1 0.781 0.030 . 1 . . . . 25 VAL HG2 . 11119 1 204 . 1 1 25 25 VAL C C 13 173.871 0.300 . 1 . . . . 25 VAL C . 11119 1 205 . 1 1 25 25 VAL CA C 13 60.200 0.300 . 1 . . . . 25 VAL CA . 11119 1 206 . 1 1 25 25 VAL CB C 13 36.701 0.300 . 1 . . . . 25 VAL CB . 11119 1 207 . 1 1 25 25 VAL CG1 C 13 20.867 0.300 . 2 . . . . 25 VAL CG1 . 11119 1 208 . 1 1 25 25 VAL CG2 C 13 20.695 0.300 . 2 . . . . 25 VAL CG2 . 11119 1 209 . 1 1 25 25 VAL N N 15 125.837 0.300 . 1 . . . . 25 VAL N . 11119 1 210 . 1 1 26 26 ALA H H 1 8.426 0.030 . 1 . . . . 26 ALA H . 11119 1 211 . 1 1 26 26 ALA HA H 1 4.936 0.030 . 1 . . . . 26 ALA HA . 11119 1 212 . 1 1 26 26 ALA HB1 H 1 1.086 0.030 . 1 . . . . 26 ALA HB . 11119 1 213 . 1 1 26 26 ALA HB2 H 1 1.086 0.030 . 1 . . . . 26 ALA HB . 11119 1 214 . 1 1 26 26 ALA HB3 H 1 1.086 0.030 . 1 . . . . 26 ALA HB . 11119 1 215 . 1 1 26 26 ALA C C 13 176.035 0.300 . 1 . . . . 26 ALA C . 11119 1 216 . 1 1 26 26 ALA CA C 13 50.295 0.300 . 1 . . . . 26 ALA CA . 11119 1 217 . 1 1 26 26 ALA CB C 13 17.799 0.300 . 1 . . . . 26 ALA CB . 11119 1 218 . 1 1 26 26 ALA N N 15 125.792 0.300 . 1 . . . . 26 ALA N . 11119 1 219 . 1 1 27 27 SER H H 1 8.362 0.030 . 1 . . . . 27 SER H . 11119 1 220 . 1 1 27 27 SER HA H 1 4.180 0.030 . 1 . . . . 27 SER HA . 11119 1 221 . 1 1 27 27 SER HB2 H 1 3.719 0.030 . 2 . . . . 27 SER HB2 . 11119 1 222 . 1 1 27 27 SER HB3 H 1 3.582 0.030 . 2 . . . . 27 SER HB3 . 11119 1 223 . 1 1 27 27 SER C C 13 174.786 0.300 . 1 . . . . 27 SER C . 11119 1 224 . 1 1 27 27 SER CA C 13 59.636 0.300 . 1 . . . . 27 SER CA . 11119 1 225 . 1 1 27 27 SER CB C 13 63.756 0.300 . 1 . . . . 27 SER CB . 11119 1 226 . 1 1 27 27 SER N N 15 122.657 0.300 . 1 . . . . 27 SER N . 11119 1 227 . 1 1 28 28 LEU H H 1 7.453 0.030 . 1 . . . . 28 LEU H . 11119 1 228 . 1 1 28 28 LEU HA H 1 4.541 0.030 . 1 . . . . 28 LEU HA . 11119 1 229 . 1 1 28 28 LEU HB2 H 1 1.619 0.030 . 1 . . . . 28 LEU HB2 . 11119 1 230 . 1 1 28 28 LEU HB3 H 1 1.619 0.030 . 1 . . . . 28 LEU HB3 . 11119 1 231 . 1 1 28 28 LEU HD11 H 1 0.981 0.030 . 1 . . . . 28 LEU HD1 . 11119 1 232 . 1 1 28 28 LEU HD12 H 1 0.981 0.030 . 1 . . . . 28 LEU HD1 . 11119 1 233 . 1 1 28 28 LEU HD13 H 1 0.981 0.030 . 1 . . . . 28 LEU HD1 . 11119 1 234 . 1 1 28 28 LEU HD21 H 1 0.953 0.030 . 1 . . . . 28 LEU HD2 . 11119 1 235 . 1 1 28 28 LEU HD22 H 1 0.953 0.030 . 1 . . . . 28 LEU HD2 . 11119 1 236 . 1 1 28 28 LEU HD23 H 1 0.953 0.030 . 1 . . . . 28 LEU HD2 . 11119 1 237 . 1 1 28 28 LEU HG H 1 1.531 0.030 . 1 . . . . 28 LEU HG . 11119 1 238 . 1 1 28 28 LEU C C 13 174.194 0.300 . 1 . . . . 28 LEU C . 11119 1 239 . 1 1 28 28 LEU CA C 13 55.974 0.300 . 1 . . . . 28 LEU CA . 11119 1 240 . 1 1 28 28 LEU CB C 13 45.602 0.300 . 1 . . . . 28 LEU CB . 11119 1 241 . 1 1 28 28 LEU CD1 C 13 24.352 0.300 . 2 . . . . 28 LEU CD1 . 11119 1 242 . 1 1 28 28 LEU CD2 C 13 25.038 0.300 . 2 . . . . 28 LEU CD2 . 11119 1 243 . 1 1 28 28 LEU CG C 13 27.786 0.300 . 1 . . . . 28 LEU CG . 11119 1 244 . 1 1 28 28 LEU N N 15 121.291 0.300 . 1 . . . . 28 LEU N . 11119 1 245 . 1 1 29 29 VAL H H 1 8.752 0.030 . 1 . . . . 29 VAL H . 11119 1 246 . 1 1 29 29 VAL HA H 1 4.083 0.030 . 1 . . . . 29 VAL HA . 11119 1 247 . 1 1 29 29 VAL HB H 1 1.983 0.030 . 1 . . . . 29 VAL HB . 11119 1 248 . 1 1 29 29 VAL HG11 H 1 1.068 0.030 . 1 . . . . 29 VAL HG1 . 11119 1 249 . 1 1 29 29 VAL HG12 H 1 1.068 0.030 . 1 . . . . 29 VAL HG1 . 11119 1 250 . 1 1 29 29 VAL HG13 H 1 1.068 0.030 . 1 . . . . 29 VAL HG1 . 11119 1 251 . 1 1 29 29 VAL HG21 H 1 0.831 0.030 . 1 . . . . 29 VAL HG2 . 11119 1 252 . 1 1 29 29 VAL HG22 H 1 0.831 0.030 . 1 . . . . 29 VAL HG2 . 11119 1 253 . 1 1 29 29 VAL HG23 H 1 0.831 0.030 . 1 . . . . 29 VAL HG2 . 11119 1 254 . 1 1 29 29 VAL C C 13 174.261 0.300 . 1 . . . . 29 VAL C . 11119 1 255 . 1 1 29 29 VAL CA C 13 62.358 0.300 . 1 . . . . 29 VAL CA . 11119 1 256 . 1 1 29 29 VAL CB C 13 33.722 0.300 . 1 . . . . 29 VAL CB . 11119 1 257 . 1 1 29 29 VAL CG1 C 13 22.258 0.300 . 2 . . . . 29 VAL CG1 . 11119 1 258 . 1 1 29 29 VAL CG2 C 13 21.897 0.300 . 2 . . . . 29 VAL CG2 . 11119 1 259 . 1 1 29 29 VAL N N 15 126.543 0.300 . 1 . . . . 29 VAL N . 11119 1 260 . 1 1 30 30 SER H H 1 7.542 0.030 . 1 . . . . 30 SER H . 11119 1 261 . 1 1 30 30 SER HA H 1 4.690 0.030 . 1 . . . . 30 SER HA . 11119 1 262 . 1 1 30 30 SER HB2 H 1 2.735 0.030 . 2 . . . . 30 SER HB2 . 11119 1 263 . 1 1 30 30 SER HB3 H 1 2.325 0.030 . 2 . . . . 30 SER HB3 . 11119 1 264 . 1 1 30 30 SER C C 13 174.899 0.300 . 1 . . . . 30 SER C . 11119 1 265 . 1 1 30 30 SER CA C 13 53.779 0.300 . 1 . . . . 30 SER CA . 11119 1 266 . 1 1 30 30 SER CB C 13 63.117 0.300 . 1 . . . . 30 SER CB . 11119 1 267 . 1 1 30 30 SER N N 15 122.041 0.300 . 1 . . . . 30 SER N . 11119 1 268 . 1 1 31 31 THR H H 1 8.460 0.030 . 1 . . . . 31 THR H . 11119 1 269 . 1 1 31 31 THR HA H 1 4.617 0.030 . 1 . . . . 31 THR HA . 11119 1 270 . 1 1 31 31 THR HB H 1 4.049 0.030 . 1 . . . . 31 THR HB . 11119 1 271 . 1 1 31 31 THR HG21 H 1 1.172 0.030 . 1 . . . . 31 THR HG2 . 11119 1 272 . 1 1 31 31 THR HG22 H 1 1.172 0.030 . 1 . . . . 31 THR HG2 . 11119 1 273 . 1 1 31 31 THR HG23 H 1 1.172 0.030 . 1 . . . . 31 THR HG2 . 11119 1 274 . 1 1 31 31 THR C C 13 175.422 0.300 . 1 . . . . 31 THR C . 11119 1 275 . 1 1 31 31 THR CA C 13 62.817 0.300 . 1 . . . . 31 THR CA . 11119 1 276 . 1 1 31 31 THR CB C 13 69.191 0.300 . 1 . . . . 31 THR CB . 11119 1 277 . 1 1 31 31 THR CG2 C 13 23.691 0.300 . 1 . . . . 31 THR CG2 . 11119 1 278 . 1 1 31 31 THR N N 15 113.058 0.300 . 1 . . . . 31 THR N . 11119 1 279 . 1 1 32 32 ARG H H 1 7.041 0.030 . 1 . . . . 32 ARG H . 11119 1 280 . 1 1 32 32 ARG HA H 1 4.570 0.030 . 1 . . . . 32 ARG HA . 11119 1 281 . 1 1 32 32 ARG HB2 H 1 2.360 0.030 . 2 . . . . 32 ARG HB2 . 11119 1 282 . 1 1 32 32 ARG HB3 H 1 1.553 0.030 . 2 . . . . 32 ARG HB3 . 11119 1 283 . 1 1 32 32 ARG HD2 H 1 3.366 0.030 . 2 . . . . 32 ARG HD2 . 11119 1 284 . 1 1 32 32 ARG HD3 H 1 3.161 0.030 . 2 . . . . 32 ARG HD3 . 11119 1 285 . 1 1 32 32 ARG HG2 H 1 1.695 0.030 . 2 . . . . 32 ARG HG2 . 11119 1 286 . 1 1 32 32 ARG HG3 H 1 1.563 0.030 . 2 . . . . 32 ARG HG3 . 11119 1 287 . 1 1 32 32 ARG C C 13 176.292 0.300 . 1 . . . . 32 ARG C . 11119 1 288 . 1 1 32 32 ARG CA C 13 54.582 0.300 . 1 . . . . 32 ARG CA . 11119 1 289 . 1 1 32 32 ARG CB C 13 32.173 0.300 . 1 . . . . 32 ARG CB . 11119 1 290 . 1 1 32 32 ARG CD C 13 43.339 0.300 . 1 . . . . 32 ARG CD . 11119 1 291 . 1 1 32 32 ARG CG C 13 28.704 0.300 . 1 . . . . 32 ARG CG . 11119 1 292 . 1 1 32 32 ARG N N 15 111.049 0.300 . 1 . . . . 32 ARG N . 11119 1 293 . 1 1 33 33 PHE H H 1 7.034 0.030 . 1 . . . . 33 PHE H . 11119 1 294 . 1 1 33 33 PHE HA H 1 5.365 0.030 . 1 . . . . 33 PHE HA . 11119 1 295 . 1 1 33 33 PHE HB2 H 1 3.023 0.030 . 2 . . . . 33 PHE HB2 . 11119 1 296 . 1 1 33 33 PHE HB3 H 1 2.866 0.030 . 2 . . . . 33 PHE HB3 . 11119 1 297 . 1 1 33 33 PHE HD1 H 1 6.876 0.030 . 1 . . . . 33 PHE HD1 . 11119 1 298 . 1 1 33 33 PHE HD2 H 1 6.876 0.030 . 1 . . . . 33 PHE HD2 . 11119 1 299 . 1 1 33 33 PHE HE1 H 1 7.209 0.030 . 1 . . . . 33 PHE HE1 . 11119 1 300 . 1 1 33 33 PHE HE2 H 1 7.209 0.030 . 1 . . . . 33 PHE HE2 . 11119 1 301 . 1 1 33 33 PHE HZ H 1 7.265 0.030 . 1 . . . . 33 PHE HZ . 11119 1 302 . 1 1 33 33 PHE C C 13 172.328 0.300 . 1 . . . . 33 PHE C . 11119 1 303 . 1 1 33 33 PHE CA C 13 56.252 0.300 . 1 . . . . 33 PHE CA . 11119 1 304 . 1 1 33 33 PHE CB C 13 41.799 0.300 . 1 . . . . 33 PHE CB . 11119 1 305 . 1 1 33 33 PHE CD1 C 13 132.366 0.300 . 1 . . . . 33 PHE CD1 . 11119 1 306 . 1 1 33 33 PHE CD2 C 13 132.366 0.300 . 1 . . . . 33 PHE CD2 . 11119 1 307 . 1 1 33 33 PHE CE1 C 13 131.138 0.300 . 1 . . . . 33 PHE CE1 . 11119 1 308 . 1 1 33 33 PHE CE2 C 13 131.138 0.300 . 1 . . . . 33 PHE CE2 . 11119 1 309 . 1 1 33 33 PHE CZ C 13 129.940 0.300 . 1 . . . . 33 PHE CZ . 11119 1 310 . 1 1 33 33 PHE N N 15 113.347 0.300 . 1 . . . . 33 PHE N . 11119 1 311 . 1 1 34 34 ILE H H 1 8.296 0.030 . 1 . . . . 34 ILE H . 11119 1 312 . 1 1 34 34 ILE HA H 1 4.465 0.030 . 1 . . . . 34 ILE HA . 11119 1 313 . 1 1 34 34 ILE HB H 1 1.226 0.030 . 1 . . . . 34 ILE HB . 11119 1 314 . 1 1 34 34 ILE HD11 H 1 0.668 0.030 . 1 . . . . 34 ILE HD1 . 11119 1 315 . 1 1 34 34 ILE HD12 H 1 0.668 0.030 . 1 . . . . 34 ILE HD1 . 11119 1 316 . 1 1 34 34 ILE HD13 H 1 0.668 0.030 . 1 . . . . 34 ILE HD1 . 11119 1 317 . 1 1 34 34 ILE HG12 H 1 1.421 0.030 . 2 . . . . 34 ILE HG12 . 11119 1 318 . 1 1 34 34 ILE HG13 H 1 0.883 0.030 . 2 . . . . 34 ILE HG13 . 11119 1 319 . 1 1 34 34 ILE HG21 H 1 0.515 0.030 . 1 . . . . 34 ILE HG2 . 11119 1 320 . 1 1 34 34 ILE HG22 H 1 0.515 0.030 . 1 . . . . 34 ILE HG2 . 11119 1 321 . 1 1 34 34 ILE HG23 H 1 0.515 0.030 . 1 . . . . 34 ILE HG2 . 11119 1 322 . 1 1 34 34 ILE C C 13 173.527 0.300 . 1 . . . . 34 ILE C . 11119 1 323 . 1 1 34 34 ILE CA C 13 60.140 0.300 . 1 . . . . 34 ILE CA . 11119 1 324 . 1 1 34 34 ILE CB C 13 44.419 0.300 . 1 . . . . 34 ILE CB . 11119 1 325 . 1 1 34 34 ILE CD1 C 13 15.180 0.300 . 1 . . . . 34 ILE CD1 . 11119 1 326 . 1 1 34 34 ILE CG1 C 13 29.315 0.300 . 1 . . . . 34 ILE CG1 . 11119 1 327 . 1 1 34 34 ILE CG2 C 13 17.768 0.300 . 1 . . . . 34 ILE CG2 . 11119 1 328 . 1 1 34 34 ILE N N 15 118.140 0.300 . 1 . . . . 34 ILE N . 11119 1 329 . 1 1 35 35 LYS H H 1 9.218 0.030 . 1 . . . . 35 LYS H . 11119 1 330 . 1 1 35 35 LYS HA H 1 5.260 0.030 . 1 . . . . 35 LYS HA . 11119 1 331 . 1 1 35 35 LYS HB2 H 1 1.824 0.030 . 2 . . . . 35 LYS HB2 . 11119 1 332 . 1 1 35 35 LYS HB3 H 1 1.636 0.030 . 2 . . . . 35 LYS HB3 . 11119 1 333 . 1 1 35 35 LYS HD2 H 1 1.522 0.030 . 2 . . . . 35 LYS HD2 . 11119 1 334 . 1 1 35 35 LYS HD3 H 1 1.431 0.030 . 2 . . . . 35 LYS HD3 . 11119 1 335 . 1 1 35 35 LYS HE2 H 1 2.708 0.030 . 2 . . . . 35 LYS HE2 . 11119 1 336 . 1 1 35 35 LYS HE3 H 1 2.616 0.030 . 2 . . . . 35 LYS HE3 . 11119 1 337 . 1 1 35 35 LYS HG2 H 1 1.385 0.030 . 2 . . . . 35 LYS HG2 . 11119 1 338 . 1 1 35 35 LYS HG3 H 1 1.152 0.030 . 2 . . . . 35 LYS HG3 . 11119 1 339 . 1 1 35 35 LYS C C 13 174.757 0.300 . 1 . . . . 35 LYS C . 11119 1 340 . 1 1 35 35 LYS CA C 13 55.145 0.300 . 1 . . . . 35 LYS CA . 11119 1 341 . 1 1 35 35 LYS CB C 13 35.495 0.300 . 1 . . . . 35 LYS CB . 11119 1 342 . 1 1 35 35 LYS CD C 13 29.779 0.300 . 1 . . . . 35 LYS CD . 11119 1 343 . 1 1 35 35 LYS CE C 13 42.063 0.300 . 1 . . . . 35 LYS CE . 11119 1 344 . 1 1 35 35 LYS CG C 13 25.237 0.300 . 1 . . . . 35 LYS CG . 11119 1 345 . 1 1 35 35 LYS N N 15 127.337 0.300 . 1 . . . . 35 LYS N . 11119 1 346 . 1 1 36 36 LEU H H 1 8.682 0.030 . 1 . . . . 36 LEU H . 11119 1 347 . 1 1 36 36 LEU HA H 1 5.307 0.030 . 1 . . . . 36 LEU HA . 11119 1 348 . 1 1 36 36 LEU HB2 H 1 1.575 0.030 . 2 . . . . 36 LEU HB2 . 11119 1 349 . 1 1 36 36 LEU HB3 H 1 1.454 0.030 . 2 . . . . 36 LEU HB3 . 11119 1 350 . 1 1 36 36 LEU HD11 H 1 0.289 0.030 . 1 . . . . 36 LEU HD1 . 11119 1 351 . 1 1 36 36 LEU HD12 H 1 0.289 0.030 . 1 . . . . 36 LEU HD1 . 11119 1 352 . 1 1 36 36 LEU HD13 H 1 0.289 0.030 . 1 . . . . 36 LEU HD1 . 11119 1 353 . 1 1 36 36 LEU HD21 H 1 0.249 0.030 . 1 . . . . 36 LEU HD2 . 11119 1 354 . 1 1 36 36 LEU HD22 H 1 0.249 0.030 . 1 . . . . 36 LEU HD2 . 11119 1 355 . 1 1 36 36 LEU HD23 H 1 0.249 0.030 . 1 . . . . 36 LEU HD2 . 11119 1 356 . 1 1 36 36 LEU HG H 1 1.252 0.030 . 1 . . . . 36 LEU HG . 11119 1 357 . 1 1 36 36 LEU C C 13 175.517 0.300 . 1 . . . . 36 LEU C . 11119 1 358 . 1 1 36 36 LEU CA C 13 53.068 0.300 . 1 . . . . 36 LEU CA . 11119 1 359 . 1 1 36 36 LEU CB C 13 46.726 0.300 . 1 . . . . 36 LEU CB . 11119 1 360 . 1 1 36 36 LEU CD1 C 13 24.422 0.300 . 2 . . . . 36 LEU CD1 . 11119 1 361 . 1 1 36 36 LEU CD2 C 13 25.528 0.300 . 2 . . . . 36 LEU CD2 . 11119 1 362 . 1 1 36 36 LEU CG C 13 26.994 0.300 . 1 . . . . 36 LEU CG . 11119 1 363 . 1 1 36 36 LEU N N 15 126.471 0.300 . 1 . . . . 36 LEU N . 11119 1 364 . 1 1 37 37 THR H H 1 8.883 0.030 . 1 . . . . 37 THR H . 11119 1 365 . 1 1 37 37 THR HA H 1 4.573 0.030 . 1 . . . . 37 THR HA . 11119 1 366 . 1 1 37 37 THR HB H 1 3.991 0.030 . 1 . . . . 37 THR HB . 11119 1 367 . 1 1 37 37 THR HG21 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11119 1 368 . 1 1 37 37 THR HG22 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11119 1 369 . 1 1 37 37 THR HG23 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11119 1 370 . 1 1 37 37 THR C C 13 171.823 0.300 . 1 . . . . 37 THR C . 11119 1 371 . 1 1 37 37 THR CA C 13 60.093 0.300 . 1 . . . . 37 THR CA . 11119 1 372 . 1 1 37 37 THR CB C 13 71.974 0.300 . 1 . . . . 37 THR CB . 11119 1 373 . 1 1 37 37 THR CG2 C 13 20.858 0.300 . 1 . . . . 37 THR CG2 . 11119 1 374 . 1 1 37 37 THR N N 15 112.288 0.300 . 1 . . . . 37 THR N . 11119 1 375 . 1 1 38 38 TRP H H 1 7.048 0.030 . 1 . . . . 38 TRP H . 11119 1 376 . 1 1 38 38 TRP HA H 1 5.046 0.030 . 1 . . . . 38 TRP HA . 11119 1 377 . 1 1 38 38 TRP HB2 H 1 3.484 0.030 . 2 . . . . 38 TRP HB2 . 11119 1 378 . 1 1 38 38 TRP HB3 H 1 3.061 0.030 . 2 . . . . 38 TRP HB3 . 11119 1 379 . 1 1 38 38 TRP HD1 H 1 6.603 0.030 . 1 . . . . 38 TRP HD1 . 11119 1 380 . 1 1 38 38 TRP HE1 H 1 5.611 0.030 . 1 . . . . 38 TRP HE1 . 11119 1 381 . 1 1 38 38 TRP HE3 H 1 6.889 0.030 . 1 . . . . 38 TRP HE3 . 11119 1 382 . 1 1 38 38 TRP HH2 H 1 6.404 0.030 . 1 . . . . 38 TRP HH2 . 11119 1 383 . 1 1 38 38 TRP HZ2 H 1 6.767 0.030 . 1 . . . . 38 TRP HZ2 . 11119 1 384 . 1 1 38 38 TRP HZ3 H 1 6.530 0.030 . 1 . . . . 38 TRP HZ3 . 11119 1 385 . 1 1 38 38 TRP C C 13 172.934 0.300 . 1 . . . . 38 TRP C . 11119 1 386 . 1 1 38 38 TRP CA C 13 56.750 0.300 . 1 . . . . 38 TRP CA . 11119 1 387 . 1 1 38 38 TRP CB C 13 30.238 0.300 . 1 . . . . 38 TRP CB . 11119 1 388 . 1 1 38 38 TRP CD1 C 13 125.673 0.300 . 1 . . . . 38 TRP CD1 . 11119 1 389 . 1 1 38 38 TRP CE3 C 13 119.192 0.300 . 1 . . . . 38 TRP CE3 . 11119 1 390 . 1 1 38 38 TRP CH2 C 13 122.422 0.300 . 1 . . . . 38 TRP CH2 . 11119 1 391 . 1 1 38 38 TRP CZ2 C 13 113.749 0.300 . 1 . . . . 38 TRP CZ2 . 11119 1 392 . 1 1 38 38 TRP CZ3 C 13 121.058 0.300 . 1 . . . . 38 TRP CZ3 . 11119 1 393 . 1 1 38 38 TRP N N 15 116.548 0.300 . 1 . . . . 38 TRP N . 11119 1 394 . 1 1 38 38 TRP NE1 N 15 123.078 0.300 . 1 . . . . 38 TRP NE1 . 11119 1 395 . 1 1 39 39 ARG H H 1 9.137 0.030 . 1 . . . . 39 ARG H . 11119 1 396 . 1 1 39 39 ARG HA H 1 4.873 0.030 . 1 . . . . 39 ARG HA . 11119 1 397 . 1 1 39 39 ARG HB2 H 1 1.936 0.030 . 2 . . . . 39 ARG HB2 . 11119 1 398 . 1 1 39 39 ARG HB3 H 1 1.645 0.030 . 2 . . . . 39 ARG HB3 . 11119 1 399 . 1 1 39 39 ARG HD2 H 1 3.248 0.030 . 1 . . . . 39 ARG HD2 . 11119 1 400 . 1 1 39 39 ARG HD3 H 1 3.248 0.030 . 1 . . . . 39 ARG HD3 . 11119 1 401 . 1 1 39 39 ARG HG2 H 1 1.653 0.030 . 2 . . . . 39 ARG HG2 . 11119 1 402 . 1 1 39 39 ARG HG3 H 1 1.755 0.030 . 2 . . . . 39 ARG HG3 . 11119 1 403 . 1 1 39 39 ARG C C 13 176.218 0.300 . 1 . . . . 39 ARG C . 11119 1 404 . 1 1 39 39 ARG CA C 13 54.412 0.300 . 1 . . . . 39 ARG CA . 11119 1 405 . 1 1 39 39 ARG CB C 13 33.579 0.300 . 1 . . . . 39 ARG CB . 11119 1 406 . 1 1 39 39 ARG CD C 13 43.874 0.300 . 1 . . . . 39 ARG CD . 11119 1 407 . 1 1 39 39 ARG CG C 13 28.078 0.300 . 1 . . . . 39 ARG CG . 11119 1 408 . 1 1 39 39 ARG N N 15 116.339 0.300 . 1 . . . . 39 ARG N . 11119 1 409 . 1 1 40 40 THR H H 1 7.763 0.030 . 1 . . . . 40 THR H . 11119 1 410 . 1 1 40 40 THR HA H 1 4.622 0.030 . 1 . . . . 40 THR HA . 11119 1 411 . 1 1 40 40 THR HB H 1 4.471 0.030 . 1 . . . . 40 THR HB . 11119 1 412 . 1 1 40 40 THR HG21 H 1 1.384 0.030 . 1 . . . . 40 THR HG2 . 11119 1 413 . 1 1 40 40 THR HG22 H 1 1.384 0.030 . 1 . . . . 40 THR HG2 . 11119 1 414 . 1 1 40 40 THR HG23 H 1 1.384 0.030 . 1 . . . . 40 THR HG2 . 11119 1 415 . 1 1 40 40 THR C C 13 172.945 0.300 . 1 . . . . 40 THR C . 11119 1 416 . 1 1 40 40 THR CA C 13 59.875 0.300 . 1 . . . . 40 THR CA . 11119 1 417 . 1 1 40 40 THR CB C 13 68.656 0.300 . 1 . . . . 40 THR CB . 11119 1 418 . 1 1 40 40 THR CG2 C 13 23.348 0.300 . 1 . . . . 40 THR CG2 . 11119 1 419 . 1 1 40 40 THR N N 15 111.914 0.300 . 1 . . . . 40 THR N . 11119 1 420 . 1 1 41 41 PRO HA H 1 4.505 0.030 . 1 . . . . 41 PRO HA . 11119 1 421 . 1 1 41 41 PRO HB2 H 1 2.356 0.030 . 2 . . . . 41 PRO HB2 . 11119 1 422 . 1 1 41 41 PRO HB3 H 1 1.782 0.030 . 2 . . . . 41 PRO HB3 . 11119 1 423 . 1 1 41 41 PRO HD2 H 1 4.229 0.030 . 2 . . . . 41 PRO HD2 . 11119 1 424 . 1 1 41 41 PRO HD3 H 1 3.734 0.030 . 2 . . . . 41 PRO HD3 . 11119 1 425 . 1 1 41 41 PRO HG2 H 1 1.884 0.030 . 2 . . . . 41 PRO HG2 . 11119 1 426 . 1 1 41 41 PRO HG3 H 1 1.668 0.030 . 2 . . . . 41 PRO HG3 . 11119 1 427 . 1 1 41 41 PRO C C 13 177.296 0.300 . 1 . . . . 41 PRO C . 11119 1 428 . 1 1 41 41 PRO CA C 13 62.535 0.300 . 1 . . . . 41 PRO CA . 11119 1 429 . 1 1 41 41 PRO CB C 13 33.556 0.300 . 1 . . . . 41 PRO CB . 11119 1 430 . 1 1 41 41 PRO CD C 13 51.676 0.300 . 1 . . . . 41 PRO CD . 11119 1 431 . 1 1 41 41 PRO CG C 13 28.757 0.300 . 1 . . . . 41 PRO CG . 11119 1 432 . 1 1 42 42 ALA H H 1 9.154 0.030 . 1 . . . . 42 ALA H . 11119 1 433 . 1 1 42 42 ALA HA H 1 3.848 0.030 . 1 . . . . 42 ALA HA . 11119 1 434 . 1 1 42 42 ALA HB1 H 1 1.377 0.030 . 1 . . . . 42 ALA HB . 11119 1 435 . 1 1 42 42 ALA HB2 H 1 1.377 0.030 . 1 . . . . 42 ALA HB . 11119 1 436 . 1 1 42 42 ALA HB3 H 1 1.377 0.030 . 1 . . . . 42 ALA HB . 11119 1 437 . 1 1 42 42 ALA C C 13 178.753 0.300 . 1 . . . . 42 ALA C . 11119 1 438 . 1 1 42 42 ALA CA C 13 54.452 0.300 . 1 . . . . 42 ALA CA . 11119 1 439 . 1 1 42 42 ALA CB C 13 18.117 0.300 . 1 . . . . 42 ALA CB . 11119 1 440 . 1 1 42 42 ALA N N 15 125.317 0.300 . 1 . . . . 42 ALA N . 11119 1 441 . 1 1 43 43 SER H H 1 7.811 0.030 . 1 . . . . 43 SER H . 11119 1 442 . 1 1 43 43 SER HA H 1 4.049 0.030 . 1 . . . . 43 SER HA . 11119 1 443 . 1 1 43 43 SER HB2 H 1 3.811 0.030 . 2 . . . . 43 SER HB2 . 11119 1 444 . 1 1 43 43 SER HB3 H 1 4.125 0.030 . 2 . . . . 43 SER HB3 . 11119 1 445 . 1 1 43 43 SER C C 13 174.397 0.300 . 1 . . . . 43 SER C . 11119 1 446 . 1 1 43 43 SER CA C 13 59.872 0.300 . 1 . . . . 43 SER CA . 11119 1 447 . 1 1 43 43 SER CB C 13 63.166 0.300 . 1 . . . . 43 SER CB . 11119 1 448 . 1 1 43 43 SER N N 15 109.285 0.300 . 1 . . . . 43 SER N . 11119 1 449 . 1 1 44 44 ASP H H 1 7.205 0.030 . 1 . . . . 44 ASP H . 11119 1 450 . 1 1 44 44 ASP HA H 1 5.136 0.030 . 1 . . . . 44 ASP HA . 11119 1 451 . 1 1 44 44 ASP HB2 H 1 2.626 0.030 . 2 . . . . 44 ASP HB2 . 11119 1 452 . 1 1 44 44 ASP HB3 H 1 2.182 0.030 . 2 . . . . 44 ASP HB3 . 11119 1 453 . 1 1 44 44 ASP C C 13 172.387 0.300 . 1 . . . . 44 ASP C . 11119 1 454 . 1 1 44 44 ASP CA C 13 52.129 0.300 . 1 . . . . 44 ASP CA . 11119 1 455 . 1 1 44 44 ASP CB C 13 43.980 0.300 . 1 . . . . 44 ASP CB . 11119 1 456 . 1 1 44 44 ASP N N 15 121.225 0.300 . 1 . . . . 44 ASP N . 11119 1 457 . 1 1 45 45 PRO HA H 1 4.240 0.030 . 1 . . . . 45 PRO HA . 11119 1 458 . 1 1 45 45 PRO HB2 H 1 2.135 0.030 . 2 . . . . 45 PRO HB2 . 11119 1 459 . 1 1 45 45 PRO HB3 H 1 1.700 0.030 . 2 . . . . 45 PRO HB3 . 11119 1 460 . 1 1 45 45 PRO HD2 H 1 3.501 0.030 . 2 . . . . 45 PRO HD2 . 11119 1 461 . 1 1 45 45 PRO HD3 H 1 3.660 0.030 . 2 . . . . 45 PRO HD3 . 11119 1 462 . 1 1 45 45 PRO HG2 H 1 1.750 0.030 . 2 . . . . 45 PRO HG2 . 11119 1 463 . 1 1 45 45 PRO HG3 H 1 1.959 0.030 . 2 . . . . 45 PRO HG3 . 11119 1 464 . 1 1 45 45 PRO C C 13 178.507 0.300 . 1 . . . . 45 PRO C . 11119 1 465 . 1 1 45 45 PRO CA C 13 64.462 0.300 . 1 . . . . 45 PRO CA . 11119 1 466 . 1 1 45 45 PRO CB C 13 31.920 0.300 . 1 . . . . 45 PRO CB . 11119 1 467 . 1 1 45 45 PRO CD C 13 49.795 0.300 . 1 . . . . 45 PRO CD . 11119 1 468 . 1 1 45 45 PRO CG C 13 27.219 0.300 . 1 . . . . 45 PRO CG . 11119 1 469 . 1 1 46 46 HIS H H 1 8.276 0.030 . 1 . . . . 46 HIS H . 11119 1 470 . 1 1 46 46 HIS HA H 1 4.771 0.030 . 1 . . . . 46 HIS HA . 11119 1 471 . 1 1 46 46 HIS HB2 H 1 3.327 0.030 . 2 . . . . 46 HIS HB2 . 11119 1 472 . 1 1 46 46 HIS HB3 H 1 3.175 0.030 . 2 . . . . 46 HIS HB3 . 11119 1 473 . 1 1 46 46 HIS HD2 H 1 7.120 0.030 . 1 . . . . 46 HIS HD2 . 11119 1 474 . 1 1 46 46 HIS C C 13 177.107 0.300 . 1 . . . . 46 HIS C . 11119 1 475 . 1 1 46 46 HIS CA C 13 56.180 0.300 . 1 . . . . 46 HIS CA . 11119 1 476 . 1 1 46 46 HIS CB C 13 29.929 0.300 . 1 . . . . 46 HIS CB . 11119 1 477 . 1 1 46 46 HIS CD2 C 13 119.991 0.300 . 1 . . . . 46 HIS CD2 . 11119 1 478 . 1 1 46 46 HIS N N 15 117.289 0.300 . 1 . . . . 46 HIS N . 11119 1 479 . 1 1 47 47 GLY H H 1 8.078 0.030 . 1 . . . . 47 GLY H . 11119 1 480 . 1 1 47 47 GLY HA2 H 1 4.116 0.030 . 2 . . . . 47 GLY HA2 . 11119 1 481 . 1 1 47 47 GLY HA3 H 1 3.949 0.030 . 2 . . . . 47 GLY HA3 . 11119 1 482 . 1 1 47 47 GLY C C 13 175.362 0.300 . 1 . . . . 47 GLY C . 11119 1 483 . 1 1 47 47 GLY CA C 13 46.932 0.300 . 1 . . . . 47 GLY CA . 11119 1 484 . 1 1 47 47 GLY N N 15 108.040 0.300 . 1 . . . . 47 GLY N . 11119 1 485 . 1 1 48 48 ASP H H 1 8.454 0.030 . 1 . . . . 48 ASP H . 11119 1 486 . 1 1 48 48 ASP HA H 1 4.415 0.030 . 1 . . . . 48 ASP HA . 11119 1 487 . 1 1 48 48 ASP HB2 H 1 2.625 0.030 . 1 . . . . 48 ASP HB2 . 11119 1 488 . 1 1 48 48 ASP HB3 H 1 2.625 0.030 . 1 . . . . 48 ASP HB3 . 11119 1 489 . 1 1 48 48 ASP C C 13 175.843 0.300 . 1 . . . . 48 ASP C . 11119 1 490 . 1 1 48 48 ASP CA C 13 55.984 0.300 . 1 . . . . 48 ASP CA . 11119 1 491 . 1 1 48 48 ASP CB C 13 40.584 0.300 . 1 . . . . 48 ASP CB . 11119 1 492 . 1 1 48 48 ASP N N 15 120.567 0.300 . 1 . . . . 48 ASP N . 11119 1 493 . 1 1 49 49 ASN H H 1 8.852 0.030 . 1 . . . . 49 ASN H . 11119 1 494 . 1 1 49 49 ASN HA H 1 4.639 0.030 . 1 . . . . 49 ASN HA . 11119 1 495 . 1 1 49 49 ASN HB2 H 1 2.922 0.030 . 2 . . . . 49 ASN HB2 . 11119 1 496 . 1 1 49 49 ASN HB3 H 1 2.853 0.030 . 2 . . . . 49 ASN HB3 . 11119 1 497 . 1 1 49 49 ASN HD21 H 1 7.668 0.030 . 2 . . . . 49 ASN HD21 . 11119 1 498 . 1 1 49 49 ASN HD22 H 1 7.054 0.030 . 2 . . . . 49 ASN HD22 . 11119 1 499 . 1 1 49 49 ASN C C 13 174.583 0.300 . 1 . . . . 49 ASN C . 11119 1 500 . 1 1 49 49 ASN CA C 13 53.601 0.300 . 1 . . . . 49 ASN CA . 11119 1 501 . 1 1 49 49 ASN CB C 13 38.674 0.300 . 1 . . . . 49 ASN CB . 11119 1 502 . 1 1 49 49 ASN N N 15 113.939 0.300 . 1 . . . . 49 ASN N . 11119 1 503 . 1 1 49 49 ASN ND2 N 15 114.196 0.300 . 1 . . . . 49 ASN ND2 . 11119 1 504 . 1 1 50 50 LEU H H 1 7.264 0.030 . 1 . . . . 50 LEU H . 11119 1 505 . 1 1 50 50 LEU HA H 1 4.853 0.030 . 1 . . . . 50 LEU HA . 11119 1 506 . 1 1 50 50 LEU HB2 H 1 1.685 0.030 . 2 . . . . 50 LEU HB2 . 11119 1 507 . 1 1 50 50 LEU HB3 H 1 0.997 0.030 . 2 . . . . 50 LEU HB3 . 11119 1 508 . 1 1 50 50 LEU HD11 H 1 0.960 0.030 . 1 . . . . 50 LEU HD1 . 11119 1 509 . 1 1 50 50 LEU HD12 H 1 0.960 0.030 . 1 . . . . 50 LEU HD1 . 11119 1 510 . 1 1 50 50 LEU HD13 H 1 0.960 0.030 . 1 . . . . 50 LEU HD1 . 11119 1 511 . 1 1 50 50 LEU HD21 H 1 0.771 0.030 . 1 . . . . 50 LEU HD2 . 11119 1 512 . 1 1 50 50 LEU HD22 H 1 0.771 0.030 . 1 . . . . 50 LEU HD2 . 11119 1 513 . 1 1 50 50 LEU HD23 H 1 0.771 0.030 . 1 . . . . 50 LEU HD2 . 11119 1 514 . 1 1 50 50 LEU HG H 1 1.615 0.030 . 1 . . . . 50 LEU HG . 11119 1 515 . 1 1 50 50 LEU C C 13 177.263 0.300 . 1 . . . . 50 LEU C . 11119 1 516 . 1 1 50 50 LEU CA C 13 54.597 0.300 . 1 . . . . 50 LEU CA . 11119 1 517 . 1 1 50 50 LEU CB C 13 43.545 0.300 . 1 . . . . 50 LEU CB . 11119 1 518 . 1 1 50 50 LEU CD1 C 13 26.699 0.300 . 2 . . . . 50 LEU CD1 . 11119 1 519 . 1 1 50 50 LEU CD2 C 13 24.183 0.300 . 2 . . . . 50 LEU CD2 . 11119 1 520 . 1 1 50 50 LEU CG C 13 26.816 0.300 . 1 . . . . 50 LEU CG . 11119 1 521 . 1 1 50 50 LEU N N 15 118.773 0.300 . 1 . . . . 50 LEU N . 11119 1 522 . 1 1 51 51 THR H H 1 7.838 0.030 . 1 . . . . 51 THR H . 11119 1 523 . 1 1 51 51 THR HA H 1 4.829 0.030 . 1 . . . . 51 THR HA . 11119 1 524 . 1 1 51 51 THR HB H 1 4.304 0.030 . 1 . . . . 51 THR HB . 11119 1 525 . 1 1 51 51 THR HG21 H 1 0.963 0.030 . 1 . . . . 51 THR HG2 . 11119 1 526 . 1 1 51 51 THR HG22 H 1 0.963 0.030 . 1 . . . . 51 THR HG2 . 11119 1 527 . 1 1 51 51 THR HG23 H 1 0.963 0.030 . 1 . . . . 51 THR HG2 . 11119 1 528 . 1 1 51 51 THR C C 13 172.564 0.300 . 1 . . . . 51 THR C . 11119 1 529 . 1 1 51 51 THR CA C 13 60.538 0.300 . 1 . . . . 51 THR CA . 11119 1 530 . 1 1 51 51 THR CB C 13 70.603 0.300 . 1 . . . . 51 THR CB . 11119 1 531 . 1 1 51 51 THR CG2 C 13 21.549 0.300 . 1 . . . . 51 THR CG2 . 11119 1 532 . 1 1 51 51 THR N N 15 110.438 0.300 . 1 . . . . 51 THR N . 11119 1 533 . 1 1 52 52 TYR H H 1 8.196 0.030 . 1 . . . . 52 TYR H . 11119 1 534 . 1 1 52 52 TYR HA H 1 5.576 0.030 . 1 . . . . 52 TYR HA . 11119 1 535 . 1 1 52 52 TYR HB2 H 1 2.824 0.030 . 2 . . . . 52 TYR HB2 . 11119 1 536 . 1 1 52 52 TYR HB3 H 1 2.517 0.030 . 2 . . . . 52 TYR HB3 . 11119 1 537 . 1 1 52 52 TYR HD1 H 1 6.763 0.030 . 1 . . . . 52 TYR HD1 . 11119 1 538 . 1 1 52 52 TYR HD2 H 1 6.763 0.030 . 1 . . . . 52 TYR HD2 . 11119 1 539 . 1 1 52 52 TYR C C 13 175.543 0.300 . 1 . . . . 52 TYR C . 11119 1 540 . 1 1 52 52 TYR CA C 13 57.018 0.300 . 1 . . . . 52 TYR CA . 11119 1 541 . 1 1 52 52 TYR CB C 13 43.024 0.300 . 1 . . . . 52 TYR CB . 11119 1 542 . 1 1 52 52 TYR N N 15 114.185 0.300 . 1 . . . . 52 TYR N . 11119 1 543 . 1 1 53 53 SER H H 1 9.091 0.030 . 1 . . . . 53 SER H . 11119 1 544 . 1 1 53 53 SER HA H 1 5.115 0.030 . 1 . . . . 53 SER HA . 11119 1 545 . 1 1 53 53 SER HB2 H 1 3.425 0.030 . 1 . . . . 53 SER HB2 . 11119 1 546 . 1 1 53 53 SER HB3 H 1 3.425 0.030 . 1 . . . . 53 SER HB3 . 11119 1 547 . 1 1 53 53 SER C C 13 171.575 0.300 . 1 . . . . 53 SER C . 11119 1 548 . 1 1 53 53 SER CA C 13 57.715 0.300 . 1 . . . . 53 SER CA . 11119 1 549 . 1 1 53 53 SER CB C 13 66.513 0.300 . 1 . . . . 53 SER CB . 11119 1 550 . 1 1 53 53 SER N N 15 117.186 0.300 . 1 . . . . 53 SER N . 11119 1 551 . 1 1 54 54 VAL H H 1 9.106 0.030 . 1 . . . . 54 VAL H . 11119 1 552 . 1 1 54 54 VAL HA H 1 4.732 0.030 . 1 . . . . 54 VAL HA . 11119 1 553 . 1 1 54 54 VAL HB H 1 2.158 0.030 . 1 . . . . 54 VAL HB . 11119 1 554 . 1 1 54 54 VAL HG11 H 1 1.002 0.030 . 1 . . . . 54 VAL HG1 . 11119 1 555 . 1 1 54 54 VAL HG12 H 1 1.002 0.030 . 1 . . . . 54 VAL HG1 . 11119 1 556 . 1 1 54 54 VAL HG13 H 1 1.002 0.030 . 1 . . . . 54 VAL HG1 . 11119 1 557 . 1 1 54 54 VAL HG21 H 1 0.764 0.030 . 1 . . . . 54 VAL HG2 . 11119 1 558 . 1 1 54 54 VAL HG22 H 1 0.764 0.030 . 1 . . . . 54 VAL HG2 . 11119 1 559 . 1 1 54 54 VAL HG23 H 1 0.764 0.030 . 1 . . . . 54 VAL HG2 . 11119 1 560 . 1 1 54 54 VAL C C 13 174.256 0.300 . 1 . . . . 54 VAL C . 11119 1 561 . 1 1 54 54 VAL CA C 13 61.000 0.300 . 1 . . . . 54 VAL CA . 11119 1 562 . 1 1 54 54 VAL CB C 13 33.068 0.300 . 1 . . . . 54 VAL CB . 11119 1 563 . 1 1 54 54 VAL CG1 C 13 22.024 0.300 . 2 . . . . 54 VAL CG1 . 11119 1 564 . 1 1 54 54 VAL CG2 C 13 21.810 0.300 . 2 . . . . 54 VAL CG2 . 11119 1 565 . 1 1 54 54 VAL N N 15 124.508 0.300 . 1 . . . . 54 VAL N . 11119 1 566 . 1 1 55 55 PHE H H 1 9.339 0.030 . 1 . . . . 55 PHE H . 11119 1 567 . 1 1 55 55 PHE HA H 1 5.608 0.030 . 1 . . . . 55 PHE HA . 11119 1 568 . 1 1 55 55 PHE HB2 H 1 2.870 0.030 . 2 . . . . 55 PHE HB2 . 11119 1 569 . 1 1 55 55 PHE HB3 H 1 2.827 0.030 . 2 . . . . 55 PHE HB3 . 11119 1 570 . 1 1 55 55 PHE HD1 H 1 6.982 0.030 . 1 . . . . 55 PHE HD1 . 11119 1 571 . 1 1 55 55 PHE HD2 H 1 6.982 0.030 . 1 . . . . 55 PHE HD2 . 11119 1 572 . 1 1 55 55 PHE HE1 H 1 7.233 0.030 . 1 . . . . 55 PHE HE1 . 11119 1 573 . 1 1 55 55 PHE HE2 H 1 7.233 0.030 . 1 . . . . 55 PHE HE2 . 11119 1 574 . 1 1 55 55 PHE HZ H 1 7.227 0.030 . 1 . . . . 55 PHE HZ . 11119 1 575 . 1 1 55 55 PHE C C 13 176.555 0.300 . 1 . . . . 55 PHE C . 11119 1 576 . 1 1 55 55 PHE CA C 13 55.984 0.300 . 1 . . . . 55 PHE CA . 11119 1 577 . 1 1 55 55 PHE CB C 13 41.790 0.300 . 1 . . . . 55 PHE CB . 11119 1 578 . 1 1 55 55 PHE CD1 C 13 131.790 0.300 . 1 . . . . 55 PHE CD1 . 11119 1 579 . 1 1 55 55 PHE CD2 C 13 131.790 0.300 . 1 . . . . 55 PHE CD2 . 11119 1 580 . 1 1 55 55 PHE CE1 C 13 131.379 0.300 . 1 . . . . 55 PHE CE1 . 11119 1 581 . 1 1 55 55 PHE CE2 C 13 131.379 0.300 . 1 . . . . 55 PHE CE2 . 11119 1 582 . 1 1 55 55 PHE CZ C 13 129.187 0.300 . 1 . . . . 55 PHE CZ . 11119 1 583 . 1 1 55 55 PHE N N 15 127.230 0.300 . 1 . . . . 55 PHE N . 11119 1 584 . 1 1 56 56 TYR H H 1 9.134 0.030 . 1 . . . . 56 TYR H . 11119 1 585 . 1 1 56 56 TYR HA H 1 5.975 0.030 . 1 . . . . 56 TYR HA . 11119 1 586 . 1 1 56 56 TYR HB2 H 1 2.850 0.030 . 2 . . . . 56 TYR HB2 . 11119 1 587 . 1 1 56 56 TYR HB3 H 1 1.905 0.030 . 2 . . . . 56 TYR HB3 . 11119 1 588 . 1 1 56 56 TYR HD1 H 1 6.692 0.030 . 1 . . . . 56 TYR HD1 . 11119 1 589 . 1 1 56 56 TYR HD2 H 1 6.692 0.030 . 1 . . . . 56 TYR HD2 . 11119 1 590 . 1 1 56 56 TYR HE1 H 1 6.522 0.030 . 1 . . . . 56 TYR HE1 . 11119 1 591 . 1 1 56 56 TYR HE2 H 1 6.522 0.030 . 1 . . . . 56 TYR HE2 . 11119 1 592 . 1 1 56 56 TYR C C 13 173.696 0.300 . 1 . . . . 56 TYR C . 11119 1 593 . 1 1 56 56 TYR CA C 13 55.290 0.300 . 1 . . . . 56 TYR CA . 11119 1 594 . 1 1 56 56 TYR CB C 13 43.421 0.300 . 1 . . . . 56 TYR CB . 11119 1 595 . 1 1 56 56 TYR CD1 C 13 133.222 0.300 . 1 . . . . 56 TYR CD1 . 11119 1 596 . 1 1 56 56 TYR CD2 C 13 133.222 0.300 . 1 . . . . 56 TYR CD2 . 11119 1 597 . 1 1 56 56 TYR CE1 C 13 118.084 0.300 . 1 . . . . 56 TYR CE1 . 11119 1 598 . 1 1 56 56 TYR CE2 C 13 118.084 0.300 . 1 . . . . 56 TYR CE2 . 11119 1 599 . 1 1 56 56 TYR N N 15 117.326 0.300 . 1 . . . . 56 TYR N . 11119 1 600 . 1 1 57 57 THR H H 1 8.181 0.030 . 1 . . . . 57 THR H . 11119 1 601 . 1 1 57 57 THR HA H 1 4.724 0.030 . 1 . . . . 57 THR HA . 11119 1 602 . 1 1 57 57 THR HB H 1 3.998 0.030 . 1 . . . . 57 THR HB . 11119 1 603 . 1 1 57 57 THR HG21 H 1 1.124 0.030 . 1 . . . . 57 THR HG2 . 11119 1 604 . 1 1 57 57 THR HG22 H 1 1.124 0.030 . 1 . . . . 57 THR HG2 . 11119 1 605 . 1 1 57 57 THR HG23 H 1 1.124 0.030 . 1 . . . . 57 THR HG2 . 11119 1 606 . 1 1 57 57 THR C C 13 172.538 0.300 . 1 . . . . 57 THR C . 11119 1 607 . 1 1 57 57 THR CA C 13 58.599 0.300 . 1 . . . . 57 THR CA . 11119 1 608 . 1 1 57 57 THR CB C 13 70.863 0.300 . 1 . . . . 57 THR CB . 11119 1 609 . 1 1 57 57 THR CG2 C 13 19.699 0.300 . 1 . . . . 57 THR CG2 . 11119 1 610 . 1 1 57 57 THR N N 15 113.430 0.300 . 1 . . . . 57 THR N . 11119 1 611 . 1 1 58 58 LYS H H 1 8.309 0.030 . 1 . . . . 58 LYS H . 11119 1 612 . 1 1 58 58 LYS HA H 1 4.364 0.030 . 1 . . . . 58 LYS HA . 11119 1 613 . 1 1 58 58 LYS HB2 H 1 1.591 0.030 . 1 . . . . 58 LYS HB2 . 11119 1 614 . 1 1 58 58 LYS HB3 H 1 1.591 0.030 . 1 . . . . 58 LYS HB3 . 11119 1 615 . 1 1 58 58 LYS HD2 H 1 1.606 0.030 . 1 . . . . 58 LYS HD2 . 11119 1 616 . 1 1 58 58 LYS HD3 H 1 1.606 0.030 . 1 . . . . 58 LYS HD3 . 11119 1 617 . 1 1 58 58 LYS HE2 H 1 2.970 0.030 . 1 . . . . 58 LYS HE2 . 11119 1 618 . 1 1 58 58 LYS HE3 H 1 2.970 0.030 . 1 . . . . 58 LYS HE3 . 11119 1 619 . 1 1 58 58 LYS HG2 H 1 1.198 0.030 . 1 . . . . 58 LYS HG2 . 11119 1 620 . 1 1 58 58 LYS HG3 H 1 1.198 0.030 . 1 . . . . 58 LYS HG3 . 11119 1 621 . 1 1 58 58 LYS C C 13 176.388 0.300 . 1 . . . . 58 LYS C . 11119 1 622 . 1 1 58 58 LYS CA C 13 56.180 0.300 . 1 . . . . 58 LYS CA . 11119 1 623 . 1 1 58 58 LYS CB C 13 33.615 0.300 . 1 . . . . 58 LYS CB . 11119 1 624 . 1 1 58 58 LYS CD C 13 29.914 0.300 . 1 . . . . 58 LYS CD . 11119 1 625 . 1 1 58 58 LYS CE C 13 42.172 0.300 . 1 . . . . 58 LYS CE . 11119 1 626 . 1 1 58 58 LYS CG C 13 24.804 0.300 . 1 . . . . 58 LYS CG . 11119 1 627 . 1 1 58 58 LYS N N 15 126.436 0.300 . 1 . . . . 58 LYS N . 11119 1 628 . 1 1 59 59 GLU H H 1 8.349 0.030 . 1 . . . . 59 GLU H . 11119 1 629 . 1 1 59 59 GLU HA H 1 3.855 0.030 . 1 . . . . 59 GLU HA . 11119 1 630 . 1 1 59 59 GLU HB2 H 1 1.919 0.030 . 2 . . . . 59 GLU HB2 . 11119 1 631 . 1 1 59 59 GLU HB3 H 1 1.660 0.030 . 2 . . . . 59 GLU HB3 . 11119 1 632 . 1 1 59 59 GLU HG2 H 1 2.133 0.030 . 2 . . . . 59 GLU HG2 . 11119 1 633 . 1 1 59 59 GLU HG3 H 1 2.067 0.030 . 2 . . . . 59 GLU HG3 . 11119 1 634 . 1 1 59 59 GLU C C 13 176.641 0.300 . 1 . . . . 59 GLU C . 11119 1 635 . 1 1 59 59 GLU CA C 13 58.689 0.300 . 1 . . . . 59 GLU CA . 11119 1 636 . 1 1 59 59 GLU CB C 13 29.742 0.300 . 1 . . . . 59 GLU CB . 11119 1 637 . 1 1 59 59 GLU CG C 13 36.569 0.300 . 1 . . . . 59 GLU CG . 11119 1 638 . 1 1 59 59 GLU N N 15 125.879 0.300 . 1 . . . . 59 GLU N . 11119 1 639 . 1 1 60 60 GLY H H 1 8.674 0.030 . 1 . . . . 60 GLY H . 11119 1 640 . 1 1 60 60 GLY HA2 H 1 4.298 0.030 . 2 . . . . 60 GLY HA2 . 11119 1 641 . 1 1 60 60 GLY HA3 H 1 3.609 0.030 . 2 . . . . 60 GLY HA3 . 11119 1 642 . 1 1 60 60 GLY C C 13 173.942 0.300 . 1 . . . . 60 GLY C . 11119 1 643 . 1 1 60 60 GLY CA C 13 44.937 0.300 . 1 . . . . 60 GLY CA . 11119 1 644 . 1 1 60 60 GLY N N 15 114.512 0.300 . 1 . . . . 60 GLY N . 11119 1 645 . 1 1 61 61 ILE H H 1 8.074 0.030 . 1 . . . . 61 ILE H . 11119 1 646 . 1 1 61 61 ILE HA H 1 4.336 0.030 . 1 . . . . 61 ILE HA . 11119 1 647 . 1 1 61 61 ILE HB H 1 2.063 0.030 . 1 . . . . 61 ILE HB . 11119 1 648 . 1 1 61 61 ILE HD11 H 1 0.833 0.030 . 1 . . . . 61 ILE HD1 . 11119 1 649 . 1 1 61 61 ILE HD12 H 1 0.833 0.030 . 1 . . . . 61 ILE HD1 . 11119 1 650 . 1 1 61 61 ILE HD13 H 1 0.833 0.030 . 1 . . . . 61 ILE HD1 . 11119 1 651 . 1 1 61 61 ILE HG12 H 1 1.375 0.030 . 2 . . . . 61 ILE HG12 . 11119 1 652 . 1 1 61 61 ILE HG13 H 1 1.186 0.030 . 2 . . . . 61 ILE HG13 . 11119 1 653 . 1 1 61 61 ILE HG21 H 1 0.965 0.030 . 1 . . . . 61 ILE HG2 . 11119 1 654 . 1 1 61 61 ILE HG22 H 1 0.965 0.030 . 1 . . . . 61 ILE HG2 . 11119 1 655 . 1 1 61 61 ILE HG23 H 1 0.965 0.030 . 1 . . . . 61 ILE HG2 . 11119 1 656 . 1 1 61 61 ILE C C 13 176.118 0.300 . 1 . . . . 61 ILE C . 11119 1 657 . 1 1 61 61 ILE CA C 13 59.631 0.300 . 1 . . . . 61 ILE CA . 11119 1 658 . 1 1 61 61 ILE CB C 13 37.982 0.300 . 1 . . . . 61 ILE CB . 11119 1 659 . 1 1 61 61 ILE CD1 C 13 11.774 0.300 . 1 . . . . 61 ILE CD1 . 11119 1 660 . 1 1 61 61 ILE CG1 C 13 27.095 0.300 . 1 . . . . 61 ILE CG1 . 11119 1 661 . 1 1 61 61 ILE CG2 C 13 17.638 0.300 . 1 . . . . 61 ILE CG2 . 11119 1 662 . 1 1 61 61 ILE N N 15 121.741 0.300 . 1 . . . . 61 ILE N . 11119 1 663 . 1 1 62 62 ALA H H 1 8.484 0.030 . 1 . . . . 62 ALA H . 11119 1 664 . 1 1 62 62 ALA HA H 1 4.277 0.030 . 1 . . . . 62 ALA HA . 11119 1 665 . 1 1 62 62 ALA HB1 H 1 1.360 0.030 . 1 . . . . 62 ALA HB . 11119 1 666 . 1 1 62 62 ALA HB2 H 1 1.360 0.030 . 1 . . . . 62 ALA HB . 11119 1 667 . 1 1 62 62 ALA HB3 H 1 1.360 0.030 . 1 . . . . 62 ALA HB . 11119 1 668 . 1 1 62 62 ALA C C 13 177.294 0.300 . 1 . . . . 62 ALA C . 11119 1 669 . 1 1 62 62 ALA CA C 13 53.177 0.300 . 1 . . . . 62 ALA CA . 11119 1 670 . 1 1 62 62 ALA CB C 13 18.804 0.300 . 1 . . . . 62 ALA CB . 11119 1 671 . 1 1 62 62 ALA N N 15 129.667 0.300 . 1 . . . . 62 ALA N . 11119 1 672 . 1 1 63 63 ARG H H 1 7.515 0.030 . 1 . . . . 63 ARG H . 11119 1 673 . 1 1 63 63 ARG HA H 1 4.328 0.030 . 1 . . . . 63 ARG HA . 11119 1 674 . 1 1 63 63 ARG HB2 H 1 1.766 0.030 . 2 . . . . 63 ARG HB2 . 11119 1 675 . 1 1 63 63 ARG HB3 H 1 1.710 0.030 . 2 . . . . 63 ARG HB3 . 11119 1 676 . 1 1 63 63 ARG HD2 H 1 3.188 0.030 . 2 . . . . 63 ARG HD2 . 11119 1 677 . 1 1 63 63 ARG HG2 H 1 1.606 0.030 . 2 . . . . 63 ARG HG2 . 11119 1 678 . 1 1 63 63 ARG HG3 H 1 1.534 0.030 . 2 . . . . 63 ARG HG3 . 11119 1 679 . 1 1 63 63 ARG C C 13 175.086 0.300 . 1 . . . . 63 ARG C . 11119 1 680 . 1 1 63 63 ARG CA C 13 55.992 0.300 . 1 . . . . 63 ARG CA . 11119 1 681 . 1 1 63 63 ARG CB C 13 30.563 0.300 . 1 . . . . 63 ARG CB . 11119 1 682 . 1 1 63 63 ARG CD C 13 43.372 0.300 . 1 . . . . 63 ARG CD . 11119 1 683 . 1 1 63 63 ARG CG C 13 27.076 0.300 . 1 . . . . 63 ARG CG . 11119 1 684 . 1 1 63 63 ARG N N 15 119.765 0.300 . 1 . . . . 63 ARG N . 11119 1 685 . 1 1 64 64 GLU H H 1 8.627 0.030 . 1 . . . . 64 GLU H . 11119 1 686 . 1 1 64 64 GLU HA H 1 4.376 0.030 . 1 . . . . 64 GLU HA . 11119 1 687 . 1 1 64 64 GLU HB2 H 1 1.957 0.030 . 2 . . . . 64 GLU HB2 . 11119 1 688 . 1 1 64 64 GLU HB3 H 1 2.054 0.030 . 2 . . . . 64 GLU HB3 . 11119 1 689 . 1 1 64 64 GLU HG2 H 1 2.239 0.030 . 2 . . . . 64 GLU HG2 . 11119 1 690 . 1 1 64 64 GLU HG3 H 1 1.965 0.030 . 2 . . . . 64 GLU HG3 . 11119 1 691 . 1 1 64 64 GLU C C 13 176.815 0.300 . 1 . . . . 64 GLU C . 11119 1 692 . 1 1 64 64 GLU CA C 13 56.295 0.300 . 1 . . . . 64 GLU CA . 11119 1 693 . 1 1 64 64 GLU CB C 13 31.826 0.300 . 1 . . . . 64 GLU CB . 11119 1 694 . 1 1 64 64 GLU CG C 13 37.718 0.300 . 1 . . . . 64 GLU CG . 11119 1 695 . 1 1 64 64 GLU N N 15 125.342 0.300 . 1 . . . . 64 GLU N . 11119 1 696 . 1 1 65 65 ARG H H 1 8.393 0.030 . 1 . . . . 65 ARG H . 11119 1 697 . 1 1 65 65 ARG HA H 1 4.400 0.030 . 1 . . . . 65 ARG HA . 11119 1 698 . 1 1 65 65 ARG HB2 H 1 1.519 0.030 . 2 . . . . 65 ARG HB2 . 11119 1 699 . 1 1 65 65 ARG HB3 H 1 0.582 0.030 . 2 . . . . 65 ARG HB3 . 11119 1 700 . 1 1 65 65 ARG HD2 H 1 3.138 0.030 . 1 . . . . 65 ARG HD2 . 11119 1 701 . 1 1 65 65 ARG HD3 H 1 3.138 0.030 . 1 . . . . 65 ARG HD3 . 11119 1 702 . 1 1 65 65 ARG HG2 H 1 1.524 0.030 . 1 . . . . 65 ARG HG2 . 11119 1 703 . 1 1 65 65 ARG HG3 H 1 1.524 0.030 . 1 . . . . 65 ARG HG3 . 11119 1 704 . 1 1 65 65 ARG C C 13 173.786 0.300 . 1 . . . . 65 ARG C . 11119 1 705 . 1 1 65 65 ARG CA C 13 54.645 0.300 . 1 . . . . 65 ARG CA . 11119 1 706 . 1 1 65 65 ARG CB C 13 32.565 0.300 . 1 . . . . 65 ARG CB . 11119 1 707 . 1 1 65 65 ARG CD C 13 43.479 0.300 . 1 . . . . 65 ARG CD . 11119 1 708 . 1 1 65 65 ARG CG C 13 27.757 0.300 . 1 . . . . 65 ARG CG . 11119 1 709 . 1 1 65 65 ARG N N 15 124.086 0.300 . 1 . . . . 65 ARG N . 11119 1 710 . 1 1 66 66 VAL H H 1 8.029 0.030 . 1 . . . . 66 VAL H . 11119 1 711 . 1 1 66 66 VAL HA H 1 5.275 0.030 . 1 . . . . 66 VAL HA . 11119 1 712 . 1 1 66 66 VAL HB H 1 1.590 0.030 . 1 . . . . 66 VAL HB . 11119 1 713 . 1 1 66 66 VAL HG11 H 1 0.581 0.030 . 1 . . . . 66 VAL HG1 . 11119 1 714 . 1 1 66 66 VAL HG12 H 1 0.581 0.030 . 1 . . . . 66 VAL HG1 . 11119 1 715 . 1 1 66 66 VAL HG13 H 1 0.581 0.030 . 1 . . . . 66 VAL HG1 . 11119 1 716 . 1 1 66 66 VAL HG21 H 1 0.233 0.030 . 1 . . . . 66 VAL HG2 . 11119 1 717 . 1 1 66 66 VAL HG22 H 1 0.233 0.030 . 1 . . . . 66 VAL HG2 . 11119 1 718 . 1 1 66 66 VAL HG23 H 1 0.233 0.030 . 1 . . . . 66 VAL HG2 . 11119 1 719 . 1 1 66 66 VAL C C 13 175.371 0.300 . 1 . . . . 66 VAL C . 11119 1 720 . 1 1 66 66 VAL CA C 13 59.661 0.300 . 1 . . . . 66 VAL CA . 11119 1 721 . 1 1 66 66 VAL CB C 13 35.230 0.300 . 1 . . . . 66 VAL CB . 11119 1 722 . 1 1 66 66 VAL CG1 C 13 19.802 0.300 . 2 . . . . 66 VAL CG1 . 11119 1 723 . 1 1 66 66 VAL CG2 C 13 21.662 0.300 . 2 . . . . 66 VAL CG2 . 11119 1 724 . 1 1 66 66 VAL N N 15 117.598 0.300 . 1 . . . . 66 VAL N . 11119 1 725 . 1 1 67 67 GLU H H 1 9.207 0.030 . 1 . . . . 67 GLU H . 11119 1 726 . 1 1 67 67 GLU HA H 1 4.701 0.030 . 1 . . . . 67 GLU HA . 11119 1 727 . 1 1 67 67 GLU HB2 H 1 2.002 0.030 . 2 . . . . 67 GLU HB2 . 11119 1 728 . 1 1 67 67 GLU HB3 H 1 1.871 0.030 . 2 . . . . 67 GLU HB3 . 11119 1 729 . 1 1 67 67 GLU HG2 H 1 2.321 0.030 . 2 . . . . 67 GLU HG2 . 11119 1 730 . 1 1 67 67 GLU HG3 H 1 2.284 0.030 . 2 . . . . 67 GLU HG3 . 11119 1 731 . 1 1 67 67 GLU C C 13 174.488 0.300 . 1 . . . . 67 GLU C . 11119 1 732 . 1 1 67 67 GLU CA C 13 54.722 0.300 . 1 . . . . 67 GLU CA . 11119 1 733 . 1 1 67 67 GLU CB C 13 33.417 0.300 . 1 . . . . 67 GLU CB . 11119 1 734 . 1 1 67 67 GLU CG C 13 35.802 0.300 . 1 . . . . 67 GLU CG . 11119 1 735 . 1 1 67 67 GLU N N 15 128.547 0.300 . 1 . . . . 67 GLU N . 11119 1 736 . 1 1 68 68 ASN H H 1 8.940 0.030 . 1 . . . . 68 ASN H . 11119 1 737 . 1 1 68 68 ASN HA H 1 5.744 0.030 . 1 . . . . 68 ASN HA . 11119 1 738 . 1 1 68 68 ASN HB2 H 1 2.939 0.030 . 2 . . . . 68 ASN HB2 . 11119 1 739 . 1 1 68 68 ASN HB3 H 1 2.622 0.030 . 2 . . . . 68 ASN HB3 . 11119 1 740 . 1 1 68 68 ASN HD21 H 1 7.480 0.030 . 2 . . . . 68 ASN HD21 . 11119 1 741 . 1 1 68 68 ASN HD22 H 1 6.664 0.030 . 2 . . . . 68 ASN HD22 . 11119 1 742 . 1 1 68 68 ASN C C 13 176.786 0.300 . 1 . . . . 68 ASN C . 11119 1 743 . 1 1 68 68 ASN CA C 13 52.154 0.300 . 1 . . . . 68 ASN CA . 11119 1 744 . 1 1 68 68 ASN CB C 13 41.632 0.300 . 1 . . . . 68 ASN CB . 11119 1 745 . 1 1 68 68 ASN N N 15 122.697 0.300 . 1 . . . . 68 ASN N . 11119 1 746 . 1 1 68 68 ASN ND2 N 15 113.038 0.300 . 1 . . . . 68 ASN ND2 . 11119 1 747 . 1 1 69 69 THR H H 1 8.700 0.030 . 1 . . . . 69 THR H . 11119 1 748 . 1 1 69 69 THR HA H 1 4.637 0.030 . 1 . . . . 69 THR HA . 11119 1 749 . 1 1 69 69 THR HB H 1 4.914 0.030 . 1 . . . . 69 THR HB . 11119 1 750 . 1 1 69 69 THR HG21 H 1 1.621 0.030 . 1 . . . . 69 THR HG2 . 11119 1 751 . 1 1 69 69 THR HG22 H 1 1.621 0.030 . 1 . . . . 69 THR HG2 . 11119 1 752 . 1 1 69 69 THR HG23 H 1 1.621 0.030 . 1 . . . . 69 THR HG2 . 11119 1 753 . 1 1 69 69 THR C C 13 175.343 0.300 . 1 . . . . 69 THR C . 11119 1 754 . 1 1 69 69 THR CA C 13 62.165 0.300 . 1 . . . . 69 THR CA . 11119 1 755 . 1 1 69 69 THR CB C 13 69.775 0.300 . 1 . . . . 69 THR CB . 11119 1 756 . 1 1 69 69 THR CG2 C 13 23.744 0.300 . 1 . . . . 69 THR CG2 . 11119 1 757 . 1 1 69 69 THR N N 15 111.486 0.300 . 1 . . . . 69 THR N . 11119 1 758 . 1 1 70 70 SER H H 1 8.895 0.030 . 1 . . . . 70 SER H . 11119 1 759 . 1 1 70 70 SER HA H 1 4.500 0.030 . 1 . . . . 70 SER HA . 11119 1 760 . 1 1 70 70 SER HB2 H 1 3.932 0.030 . 2 . . . . 70 SER HB2 . 11119 1 761 . 1 1 70 70 SER HB3 H 1 3.769 0.030 . 2 . . . . 70 SER HB3 . 11119 1 762 . 1 1 70 70 SER C C 13 174.150 0.300 . 1 . . . . 70 SER C . 11119 1 763 . 1 1 70 70 SER CA C 13 60.222 0.300 . 1 . . . . 70 SER CA . 11119 1 764 . 1 1 70 70 SER CB C 13 64.657 0.300 . 1 . . . . 70 SER CB . 11119 1 765 . 1 1 70 70 SER N N 15 114.487 0.300 . 1 . . . . 70 SER N . 11119 1 766 . 1 1 71 71 HIS H H 1 7.849 0.030 . 1 . . . . 71 HIS H . 11119 1 767 . 1 1 71 71 HIS HA H 1 5.182 0.030 . 1 . . . . 71 HIS HA . 11119 1 768 . 1 1 71 71 HIS HB2 H 1 3.265 0.030 . 2 . . . . 71 HIS HB2 . 11119 1 769 . 1 1 71 71 HIS HB3 H 1 2.986 0.030 . 2 . . . . 71 HIS HB3 . 11119 1 770 . 1 1 71 71 HIS HD2 H 1 7.204 0.030 . 1 . . . . 71 HIS HD2 . 11119 1 771 . 1 1 71 71 HIS C C 13 173.237 0.300 . 1 . . . . 71 HIS C . 11119 1 772 . 1 1 71 71 HIS CA C 13 53.633 0.300 . 1 . . . . 71 HIS CA . 11119 1 773 . 1 1 71 71 HIS CB C 13 30.815 0.300 . 1 . . . . 71 HIS CB . 11119 1 774 . 1 1 71 71 HIS CD2 C 13 121.379 0.300 . 1 . . . . 71 HIS CD2 . 11119 1 775 . 1 1 71 71 HIS N N 15 118.732 0.300 . 1 . . . . 71 HIS N . 11119 1 776 . 1 1 72 72 PRO HA H 1 4.662 0.030 . 1 . . . . 72 PRO HA . 11119 1 777 . 1 1 72 72 PRO HB2 H 1 2.265 0.030 . 2 . . . . 72 PRO HB2 . 11119 1 778 . 1 1 72 72 PRO HB3 H 1 2.075 0.030 . 2 . . . . 72 PRO HB3 . 11119 1 779 . 1 1 72 72 PRO HD2 H 1 3.663 0.030 . 2 . . . . 72 PRO HD2 . 11119 1 780 . 1 1 72 72 PRO HD3 H 1 3.979 0.030 . 2 . . . . 72 PRO HD3 . 11119 1 781 . 1 1 72 72 PRO HG2 H 1 2.172 0.030 . 2 . . . . 72 PRO HG2 . 11119 1 782 . 1 1 72 72 PRO HG3 H 1 1.909 0.030 . 2 . . . . 72 PRO HG3 . 11119 1 783 . 1 1 72 72 PRO C C 13 177.494 0.300 . 1 . . . . 72 PRO C . 11119 1 784 . 1 1 72 72 PRO CA C 13 63.833 0.300 . 1 . . . . 72 PRO CA . 11119 1 785 . 1 1 72 72 PRO CB C 13 31.827 0.300 . 1 . . . . 72 PRO CB . 11119 1 786 . 1 1 72 72 PRO CD C 13 51.334 0.300 . 1 . . . . 72 PRO CD . 11119 1 787 . 1 1 72 72 PRO CG C 13 27.826 0.300 . 1 . . . . 72 PRO CG . 11119 1 788 . 1 1 73 73 GLY H H 1 9.400 0.030 . 1 . . . . 73 GLY H . 11119 1 789 . 1 1 73 73 GLY HA2 H 1 4.379 0.030 . 2 . . . . 73 GLY HA2 . 11119 1 790 . 1 1 73 73 GLY HA3 H 1 4.008 0.030 . 2 . . . . 73 GLY HA3 . 11119 1 791 . 1 1 73 73 GLY C C 13 174.190 0.300 . 1 . . . . 73 GLY C . 11119 1 792 . 1 1 73 73 GLY CA C 13 45.687 0.300 . 1 . . . . 73 GLY CA . 11119 1 793 . 1 1 73 73 GLY N N 15 112.150 0.300 . 1 . . . . 73 GLY N . 11119 1 794 . 1 1 74 74 GLU H H 1 7.415 0.030 . 1 . . . . 74 GLU H . 11119 1 795 . 1 1 74 74 GLU HA H 1 4.314 0.030 . 1 . . . . 74 GLU HA . 11119 1 796 . 1 1 74 74 GLU HB2 H 1 2.295 0.030 . 2 . . . . 74 GLU HB2 . 11119 1 797 . 1 1 74 74 GLU HB3 H 1 2.093 0.030 . 2 . . . . 74 GLU HB3 . 11119 1 798 . 1 1 74 74 GLU HG2 H 1 2.373 0.030 . 1 . . . . 74 GLU HG2 . 11119 1 799 . 1 1 74 74 GLU HG3 H 1 2.373 0.030 . 1 . . . . 74 GLU HG3 . 11119 1 800 . 1 1 74 74 GLU C C 13 176.360 0.300 . 1 . . . . 74 GLU C . 11119 1 801 . 1 1 74 74 GLU CA C 13 57.046 0.300 . 1 . . . . 74 GLU CA . 11119 1 802 . 1 1 74 74 GLU CB C 13 31.215 0.300 . 1 . . . . 74 GLU CB . 11119 1 803 . 1 1 74 74 GLU CG C 13 36.921 0.300 . 1 . . . . 74 GLU CG . 11119 1 804 . 1 1 74 74 GLU N N 15 120.567 0.300 . 1 . . . . 74 GLU N . 11119 1 805 . 1 1 75 75 MET H H 1 8.320 0.030 . 1 . . . . 75 MET H . 11119 1 806 . 1 1 75 75 MET HA H 1 3.894 0.030 . 1 . . . . 75 MET HA . 11119 1 807 . 1 1 75 75 MET HB2 H 1 1.474 0.030 . 2 . . . . 75 MET HB2 . 11119 1 808 . 1 1 75 75 MET HB3 H 1 1.288 0.030 . 2 . . . . 75 MET HB3 . 11119 1 809 . 1 1 75 75 MET HE1 H 1 2.069 0.030 . 1 . . . . 75 MET HE . 11119 1 810 . 1 1 75 75 MET HE2 H 1 2.069 0.030 . 1 . . . . 75 MET HE . 11119 1 811 . 1 1 75 75 MET HE3 H 1 2.069 0.030 . 1 . . . . 75 MET HE . 11119 1 812 . 1 1 75 75 MET HG2 H 1 2.404 0.030 . 2 . . . . 75 MET HG2 . 11119 1 813 . 1 1 75 75 MET HG3 H 1 2.050 0.030 . 2 . . . . 75 MET HG3 . 11119 1 814 . 1 1 75 75 MET C C 13 172.493 0.300 . 1 . . . . 75 MET C . 11119 1 815 . 1 1 75 75 MET CA C 13 53.548 0.300 . 1 . . . . 75 MET CA . 11119 1 816 . 1 1 75 75 MET CB C 13 31.091 0.300 . 1 . . . . 75 MET CB . 11119 1 817 . 1 1 75 75 MET CE C 13 16.877 0.300 . 1 . . . . 75 MET CE . 11119 1 818 . 1 1 75 75 MET CG C 13 31.771 0.300 . 1 . . . . 75 MET CG . 11119 1 819 . 1 1 75 75 MET N N 15 125.311 0.300 . 1 . . . . 75 MET N . 11119 1 820 . 1 1 76 76 GLN H H 1 6.340 0.030 . 1 . . . . 76 GLN H . 11119 1 821 . 1 1 76 76 GLN HA H 1 4.508 0.030 . 1 . . . . 76 GLN HA . 11119 1 822 . 1 1 76 76 GLN HB2 H 1 1.769 0.030 . 2 . . . . 76 GLN HB2 . 11119 1 823 . 1 1 76 76 GLN HE21 H 1 7.410 0.030 . 2 . . . . 76 GLN HE21 . 11119 1 824 . 1 1 76 76 GLN HE22 H 1 6.654 0.030 . 2 . . . . 76 GLN HE22 . 11119 1 825 . 1 1 76 76 GLN HG2 H 1 2.049 0.030 . 2 . . . . 76 GLN HG2 . 11119 1 826 . 1 1 76 76 GLN HG3 H 1 1.980 0.030 . 2 . . . . 76 GLN HG3 . 11119 1 827 . 1 1 76 76 GLN C C 13 174.345 0.300 . 1 . . . . 76 GLN C . 11119 1 828 . 1 1 76 76 GLN CA C 13 53.298 0.300 . 1 . . . . 76 GLN CA . 11119 1 829 . 1 1 76 76 GLN CB C 13 31.502 0.300 . 1 . . . . 76 GLN CB . 11119 1 830 . 1 1 76 76 GLN CG C 13 31.793 0.300 . 1 . . . . 76 GLN CG . 11119 1 831 . 1 1 76 76 GLN N N 15 112.020 0.300 . 1 . . . . 76 GLN N . 11119 1 832 . 1 1 76 76 GLN NE2 N 15 111.298 0.300 . 1 . . . . 76 GLN NE2 . 11119 1 833 . 1 1 77 77 VAL H H 1 8.308 0.030 . 1 . . . . 77 VAL H . 11119 1 834 . 1 1 77 77 VAL HA H 1 4.414 0.030 . 1 . . . . 77 VAL HA . 11119 1 835 . 1 1 77 77 VAL HB H 1 2.153 0.030 . 1 . . . . 77 VAL HB . 11119 1 836 . 1 1 77 77 VAL HG11 H 1 0.967 0.030 . 1 . . . . 77 VAL HG1 . 11119 1 837 . 1 1 77 77 VAL HG12 H 1 0.967 0.030 . 1 . . . . 77 VAL HG1 . 11119 1 838 . 1 1 77 77 VAL HG13 H 1 0.967 0.030 . 1 . . . . 77 VAL HG1 . 11119 1 839 . 1 1 77 77 VAL HG21 H 1 1.014 0.030 . 1 . . . . 77 VAL HG2 . 11119 1 840 . 1 1 77 77 VAL HG22 H 1 1.014 0.030 . 1 . . . . 77 VAL HG2 . 11119 1 841 . 1 1 77 77 VAL HG23 H 1 1.014 0.030 . 1 . . . . 77 VAL HG2 . 11119 1 842 . 1 1 77 77 VAL C C 13 172.727 0.300 . 1 . . . . 77 VAL C . 11119 1 843 . 1 1 77 77 VAL CA C 13 60.986 0.300 . 1 . . . . 77 VAL CA . 11119 1 844 . 1 1 77 77 VAL CB C 13 36.039 0.300 . 1 . . . . 77 VAL CB . 11119 1 845 . 1 1 77 77 VAL CG1 C 13 21.627 0.300 . 2 . . . . 77 VAL CG1 . 11119 1 846 . 1 1 77 77 VAL CG2 C 13 21.699 0.300 . 2 . . . . 77 VAL CG2 . 11119 1 847 . 1 1 77 77 VAL N N 15 115.995 0.300 . 1 . . . . 77 VAL N . 11119 1 848 . 1 1 78 78 THR H H 1 8.509 0.030 . 1 . . . . 78 THR H . 11119 1 849 . 1 1 78 78 THR HA H 1 4.794 0.030 . 1 . . . . 78 THR HA . 11119 1 850 . 1 1 78 78 THR HB H 1 3.879 0.030 . 1 . . . . 78 THR HB . 11119 1 851 . 1 1 78 78 THR HG21 H 1 0.801 0.030 . 1 . . . . 78 THR HG2 . 11119 1 852 . 1 1 78 78 THR HG22 H 1 0.801 0.030 . 1 . . . . 78 THR HG2 . 11119 1 853 . 1 1 78 78 THR HG23 H 1 0.801 0.030 . 1 . . . . 78 THR HG2 . 11119 1 854 . 1 1 78 78 THR C C 13 173.121 0.300 . 1 . . . . 78 THR C . 11119 1 855 . 1 1 78 78 THR CA C 13 62.352 0.300 . 1 . . . . 78 THR CA . 11119 1 856 . 1 1 78 78 THR CB C 13 68.913 0.300 . 1 . . . . 78 THR CB . 11119 1 857 . 1 1 78 78 THR CG2 C 13 21.692 0.300 . 1 . . . . 78 THR CG2 . 11119 1 858 . 1 1 78 78 THR N N 15 121.310 0.300 . 1 . . . . 78 THR N . 11119 1 859 . 1 1 79 79 ILE H H 1 9.123 0.030 . 1 . . . . 79 ILE H . 11119 1 860 . 1 1 79 79 ILE HA H 1 4.102 0.030 . 1 . . . . 79 ILE HA . 11119 1 861 . 1 1 79 79 ILE HB H 1 1.702 0.030 . 1 . . . . 79 ILE HB . 11119 1 862 . 1 1 79 79 ILE HD11 H 1 0.537 0.030 . 1 . . . . 79 ILE HD1 . 11119 1 863 . 1 1 79 79 ILE HD12 H 1 0.537 0.030 . 1 . . . . 79 ILE HD1 . 11119 1 864 . 1 1 79 79 ILE HD13 H 1 0.537 0.030 . 1 . . . . 79 ILE HD1 . 11119 1 865 . 1 1 79 79 ILE HG12 H 1 1.112 0.030 . 1 . . . . 79 ILE HG12 . 11119 1 866 . 1 1 79 79 ILE HG13 H 1 1.112 0.030 . 1 . . . . 79 ILE HG13 . 11119 1 867 . 1 1 79 79 ILE HG21 H 1 0.329 0.030 . 1 . . . . 79 ILE HG2 . 11119 1 868 . 1 1 79 79 ILE HG22 H 1 0.329 0.030 . 1 . . . . 79 ILE HG2 . 11119 1 869 . 1 1 79 79 ILE HG23 H 1 0.329 0.030 . 1 . . . . 79 ILE HG2 . 11119 1 870 . 1 1 79 79 ILE C C 13 174.802 0.300 . 1 . . . . 79 ILE C . 11119 1 871 . 1 1 79 79 ILE CA C 13 59.838 0.300 . 1 . . . . 79 ILE CA . 11119 1 872 . 1 1 79 79 ILE CB C 13 36.708 0.300 . 1 . . . . 79 ILE CB . 11119 1 873 . 1 1 79 79 ILE CD1 C 13 12.458 0.300 . 1 . . . . 79 ILE CD1 . 11119 1 874 . 1 1 79 79 ILE CG1 C 13 27.003 0.300 . 1 . . . . 79 ILE CG1 . 11119 1 875 . 1 1 79 79 ILE CG2 C 13 18.080 0.300 . 1 . . . . 79 ILE CG2 . 11119 1 876 . 1 1 79 79 ILE N N 15 129.720 0.300 . 1 . . . . 79 ILE N . 11119 1 877 . 1 1 80 80 GLN H H 1 8.424 0.030 . 1 . . . . 80 GLN H . 11119 1 878 . 1 1 80 80 GLN HA H 1 4.841 0.030 . 1 . . . . 80 GLN HA . 11119 1 879 . 1 1 80 80 GLN HB2 H 1 2.156 0.030 . 2 . . . . 80 GLN HB2 . 11119 1 880 . 1 1 80 80 GLN HB3 H 1 1.921 0.030 . 2 . . . . 80 GLN HB3 . 11119 1 881 . 1 1 80 80 GLN HE21 H 1 7.361 0.030 . 2 . . . . 80 GLN HE21 . 11119 1 882 . 1 1 80 80 GLN HE22 H 1 6.595 0.030 . 2 . . . . 80 GLN HE22 . 11119 1 883 . 1 1 80 80 GLN HG2 H 1 2.097 0.030 . 2 . . . . 80 GLN HG2 . 11119 1 884 . 1 1 80 80 GLN HG3 H 1 2.281 0.030 . 2 . . . . 80 GLN HG3 . 11119 1 885 . 1 1 80 80 GLN C C 13 174.533 0.300 . 1 . . . . 80 GLN C . 11119 1 886 . 1 1 80 80 GLN CA C 13 54.330 0.300 . 1 . . . . 80 GLN CA . 11119 1 887 . 1 1 80 80 GLN CB C 13 31.499 0.300 . 1 . . . . 80 GLN CB . 11119 1 888 . 1 1 80 80 GLN CG C 13 33.781 0.300 . 1 . . . . 80 GLN CG . 11119 1 889 . 1 1 80 80 GLN N N 15 123.757 0.300 . 1 . . . . 80 GLN N . 11119 1 890 . 1 1 80 80 GLN NE2 N 15 111.016 0.300 . 1 . . . . 80 GLN NE2 . 11119 1 891 . 1 1 81 81 ASN H H 1 8.865 0.030 . 1 . . . . 81 ASN H . 11119 1 892 . 1 1 81 81 ASN HA H 1 4.438 0.030 . 1 . . . . 81 ASN HA . 11119 1 893 . 1 1 81 81 ASN HB2 H 1 3.062 0.030 . 2 . . . . 81 ASN HB2 . 11119 1 894 . 1 1 81 81 ASN HB3 H 1 2.927 0.030 . 2 . . . . 81 ASN HB3 . 11119 1 895 . 1 1 81 81 ASN HD21 H 1 7.739 0.030 . 2 . . . . 81 ASN HD21 . 11119 1 896 . 1 1 81 81 ASN HD22 H 1 6.998 0.030 . 2 . . . . 81 ASN HD22 . 11119 1 897 . 1 1 81 81 ASN C C 13 174.724 0.300 . 1 . . . . 81 ASN C . 11119 1 898 . 1 1 81 81 ASN CA C 13 54.491 0.300 . 1 . . . . 81 ASN CA . 11119 1 899 . 1 1 81 81 ASN CB C 13 37.150 0.300 . 1 . . . . 81 ASN CB . 11119 1 900 . 1 1 81 81 ASN N N 15 112.569 0.300 . 1 . . . . 81 ASN N . 11119 1 901 . 1 1 81 81 ASN ND2 N 15 114.875 0.300 . 1 . . . . 81 ASN ND2 . 11119 1 902 . 1 1 82 82 LEU H H 1 8.162 0.030 . 1 . . . . 82 LEU H . 11119 1 903 . 1 1 82 82 LEU HA H 1 4.477 0.030 . 1 . . . . 82 LEU HA . 11119 1 904 . 1 1 82 82 LEU HB2 H 1 1.349 0.030 . 2 . . . . 82 LEU HB2 . 11119 1 905 . 1 1 82 82 LEU HB3 H 1 0.941 0.030 . 2 . . . . 82 LEU HB3 . 11119 1 906 . 1 1 82 82 LEU HD11 H 1 0.169 0.030 . 1 . . . . 82 LEU HD1 . 11119 1 907 . 1 1 82 82 LEU HD12 H 1 0.169 0.030 . 1 . . . . 82 LEU HD1 . 11119 1 908 . 1 1 82 82 LEU HD13 H 1 0.169 0.030 . 1 . . . . 82 LEU HD1 . 11119 1 909 . 1 1 82 82 LEU HD21 H 1 0.034 0.030 . 1 . . . . 82 LEU HD2 . 11119 1 910 . 1 1 82 82 LEU HD22 H 1 0.034 0.030 . 1 . . . . 82 LEU HD2 . 11119 1 911 . 1 1 82 82 LEU HD23 H 1 0.034 0.030 . 1 . . . . 82 LEU HD2 . 11119 1 912 . 1 1 82 82 LEU HG H 1 1.132 0.030 . 1 . . . . 82 LEU HG . 11119 1 913 . 1 1 82 82 LEU C C 13 176.005 0.300 . 1 . . . . 82 LEU C . 11119 1 914 . 1 1 82 82 LEU CA C 13 53.140 0.300 . 1 . . . . 82 LEU CA . 11119 1 915 . 1 1 82 82 LEU CB C 13 41.584 0.300 . 1 . . . . 82 LEU CB . 11119 1 916 . 1 1 82 82 LEU CD1 C 13 25.786 0.300 . 2 . . . . 82 LEU CD1 . 11119 1 917 . 1 1 82 82 LEU CD2 C 13 19.642 0.300 . 2 . . . . 82 LEU CD2 . 11119 1 918 . 1 1 82 82 LEU CG C 13 25.876 0.300 . 1 . . . . 82 LEU CG . 11119 1 919 . 1 1 82 82 LEU N N 15 117.164 0.300 . 1 . . . . 82 LEU N . 11119 1 920 . 1 1 83 83 MET H H 1 8.499 0.030 . 1 . . . . 83 MET H . 11119 1 921 . 1 1 83 83 MET HA H 1 5.112 0.030 . 1 . . . . 83 MET HA . 11119 1 922 . 1 1 83 83 MET HB2 H 1 2.825 0.030 . 2 . . . . 83 MET HB2 . 11119 1 923 . 1 1 83 83 MET HB3 H 1 2.634 0.030 . 2 . . . . 83 MET HB3 . 11119 1 924 . 1 1 83 83 MET HE1 H 1 2.164 0.030 . 1 . . . . 83 MET HE . 11119 1 925 . 1 1 83 83 MET HE2 H 1 2.164 0.030 . 1 . . . . 83 MET HE . 11119 1 926 . 1 1 83 83 MET HE3 H 1 2.164 0.030 . 1 . . . . 83 MET HE . 11119 1 927 . 1 1 83 83 MET HG2 H 1 2.135 0.030 . 2 . . . . 83 MET HG2 . 11119 1 928 . 1 1 83 83 MET HG3 H 1 2.055 0.030 . 2 . . . . 83 MET HG3 . 11119 1 929 . 1 1 83 83 MET C C 13 174.305 0.300 . 1 . . . . 83 MET C . 11119 1 930 . 1 1 83 83 MET CA C 13 52.175 0.300 . 1 . . . . 83 MET CA . 11119 1 931 . 1 1 83 83 MET CB C 13 32.658 0.300 . 1 . . . . 83 MET CB . 11119 1 932 . 1 1 83 83 MET CE C 13 17.282 0.300 . 1 . . . . 83 MET CE . 11119 1 933 . 1 1 83 83 MET CG C 13 33.280 0.300 . 1 . . . . 83 MET CG . 11119 1 934 . 1 1 83 83 MET N N 15 119.175 0.300 . 1 . . . . 83 MET N . 11119 1 935 . 1 1 84 84 PRO HA H 1 5.164 0.030 . 1 . . . . 84 PRO HA . 11119 1 936 . 1 1 84 84 PRO HB2 H 1 1.999 0.030 . 2 . . . . 84 PRO HB2 . 11119 1 937 . 1 1 84 84 PRO HB3 H 1 2.485 0.030 . 2 . . . . 84 PRO HB3 . 11119 1 938 . 1 1 84 84 PRO HD2 H 1 3.817 0.030 . 2 . . . . 84 PRO HD2 . 11119 1 939 . 1 1 84 84 PRO HD3 H 1 3.661 0.030 . 2 . . . . 84 PRO HD3 . 11119 1 940 . 1 1 84 84 PRO HG2 H 1 1.782 0.030 . 2 . . . . 84 PRO HG2 . 11119 1 941 . 1 1 84 84 PRO HG3 H 1 2.028 0.030 . 2 . . . . 84 PRO HG3 . 11119 1 942 . 1 1 84 84 PRO C C 13 177.339 0.300 . 1 . . . . 84 PRO C . 11119 1 943 . 1 1 84 84 PRO CA C 13 62.784 0.300 . 1 . . . . 84 PRO CA . 11119 1 944 . 1 1 84 84 PRO CB C 13 33.261 0.300 . 1 . . . . 84 PRO CB . 11119 1 945 . 1 1 84 84 PRO CD C 13 51.046 0.300 . 1 . . . . 84 PRO CD . 11119 1 946 . 1 1 84 84 PRO CG C 13 27.463 0.300 . 1 . . . . 84 PRO CG . 11119 1 947 . 1 1 85 85 ALA H H 1 7.435 0.030 . 1 . . . . 85 ALA H . 11119 1 948 . 1 1 85 85 ALA HA H 1 4.005 0.030 . 1 . . . . 85 ALA HA . 11119 1 949 . 1 1 85 85 ALA HB1 H 1 1.274 0.030 . 1 . . . . 85 ALA HB . 11119 1 950 . 1 1 85 85 ALA HB2 H 1 1.274 0.030 . 1 . . . . 85 ALA HB . 11119 1 951 . 1 1 85 85 ALA HB3 H 1 1.274 0.030 . 1 . . . . 85 ALA HB . 11119 1 952 . 1 1 85 85 ALA C C 13 175.853 0.300 . 1 . . . . 85 ALA C . 11119 1 953 . 1 1 85 85 ALA CA C 13 52.303 0.300 . 1 . . . . 85 ALA CA . 11119 1 954 . 1 1 85 85 ALA CB C 13 17.979 0.300 . 1 . . . . 85 ALA CB . 11119 1 955 . 1 1 85 85 ALA N N 15 128.428 0.300 . 1 . . . . 85 ALA N . 11119 1 956 . 1 1 86 86 THR H H 1 8.486 0.030 . 1 . . . . 86 THR H . 11119 1 957 . 1 1 86 86 THR HA H 1 4.472 0.030 . 1 . . . . 86 THR HA . 11119 1 958 . 1 1 86 86 THR HB H 1 3.964 0.030 . 1 . . . . 86 THR HB . 11119 1 959 . 1 1 86 86 THR HG21 H 1 0.711 0.030 . 1 . . . . 86 THR HG2 . 11119 1 960 . 1 1 86 86 THR HG22 H 1 0.711 0.030 . 1 . . . . 86 THR HG2 . 11119 1 961 . 1 1 86 86 THR HG23 H 1 0.711 0.030 . 1 . . . . 86 THR HG2 . 11119 1 962 . 1 1 86 86 THR C C 13 171.247 0.300 . 1 . . . . 86 THR C . 11119 1 963 . 1 1 86 86 THR CA C 13 62.776 0.300 . 1 . . . . 86 THR CA . 11119 1 964 . 1 1 86 86 THR CB C 13 71.820 0.300 . 1 . . . . 86 THR CB . 11119 1 965 . 1 1 86 86 THR CG2 C 13 20.493 0.300 . 1 . . . . 86 THR CG2 . 11119 1 966 . 1 1 86 86 THR N N 15 115.439 0.300 . 1 . . . . 86 THR N . 11119 1 967 . 1 1 87 87 VAL H H 1 8.416 0.030 . 1 . . . . 87 VAL H . 11119 1 968 . 1 1 87 87 VAL HA H 1 4.222 0.030 . 1 . . . . 87 VAL HA . 11119 1 969 . 1 1 87 87 VAL HB H 1 1.880 0.030 . 1 . . . . 87 VAL HB . 11119 1 970 . 1 1 87 87 VAL HG11 H 1 0.719 0.030 . 1 . . . . 87 VAL HG1 . 11119 1 971 . 1 1 87 87 VAL HG12 H 1 0.719 0.030 . 1 . . . . 87 VAL HG1 . 11119 1 972 . 1 1 87 87 VAL HG13 H 1 0.719 0.030 . 1 . . . . 87 VAL HG1 . 11119 1 973 . 1 1 87 87 VAL HG21 H 1 0.917 0.030 . 1 . . . . 87 VAL HG2 . 11119 1 974 . 1 1 87 87 VAL HG22 H 1 0.917 0.030 . 1 . . . . 87 VAL HG2 . 11119 1 975 . 1 1 87 87 VAL HG23 H 1 0.917 0.030 . 1 . . . . 87 VAL HG2 . 11119 1 976 . 1 1 87 87 VAL C C 13 174.298 0.300 . 1 . . . . 87 VAL C . 11119 1 977 . 1 1 87 87 VAL CA C 13 62.955 0.300 . 1 . . . . 87 VAL CA . 11119 1 978 . 1 1 87 87 VAL CB C 13 31.517 0.300 . 1 . . . . 87 VAL CB . 11119 1 979 . 1 1 87 87 VAL CG1 C 13 22.535 0.300 . 2 . . . . 87 VAL CG1 . 11119 1 980 . 1 1 87 87 VAL CG2 C 13 21.446 0.300 . 2 . . . . 87 VAL CG2 . 11119 1 981 . 1 1 87 87 VAL N N 15 126.004 0.300 . 1 . . . . 87 VAL N . 11119 1 982 . 1 1 88 88 TYR H H 1 9.144 0.030 . 1 . . . . 88 TYR H . 11119 1 983 . 1 1 88 88 TYR HA H 1 5.093 0.030 . 1 . . . . 88 TYR HA . 11119 1 984 . 1 1 88 88 TYR HB2 H 1 2.686 0.030 . 2 . . . . 88 TYR HB2 . 11119 1 985 . 1 1 88 88 TYR HB3 H 1 2.316 0.030 . 2 . . . . 88 TYR HB3 . 11119 1 986 . 1 1 88 88 TYR HE1 H 1 6.932 0.030 . 1 . . . . 88 TYR HE1 . 11119 1 987 . 1 1 88 88 TYR HE2 H 1 6.932 0.030 . 1 . . . . 88 TYR HE2 . 11119 1 988 . 1 1 88 88 TYR C C 13 173.547 0.300 . 1 . . . . 88 TYR C . 11119 1 989 . 1 1 88 88 TYR CA C 13 57.148 0.300 . 1 . . . . 88 TYR CA . 11119 1 990 . 1 1 88 88 TYR CB C 13 44.462 0.300 . 1 . . . . 88 TYR CB . 11119 1 991 . 1 1 88 88 TYR CE1 C 13 118.291 0.300 . 1 . . . . 88 TYR CE1 . 11119 1 992 . 1 1 88 88 TYR CE2 C 13 118.291 0.300 . 1 . . . . 88 TYR CE2 . 11119 1 993 . 1 1 88 88 TYR N N 15 127.038 0.300 . 1 . . . . 88 TYR N . 11119 1 994 . 1 1 89 89 ILE H H 1 8.773 0.030 . 1 . . . . 89 ILE H . 11119 1 995 . 1 1 89 89 ILE HA H 1 4.983 0.030 . 1 . . . . 89 ILE HA . 11119 1 996 . 1 1 89 89 ILE HB H 1 1.699 0.030 . 1 . . . . 89 ILE HB . 11119 1 997 . 1 1 89 89 ILE HD11 H 1 0.803 0.030 . 1 . . . . 89 ILE HD1 . 11119 1 998 . 1 1 89 89 ILE HD12 H 1 0.803 0.030 . 1 . . . . 89 ILE HD1 . 11119 1 999 . 1 1 89 89 ILE HD13 H 1 0.803 0.030 . 1 . . . . 89 ILE HD1 . 11119 1 1000 . 1 1 89 89 ILE HG12 H 1 1.389 0.030 . 2 . . . . 89 ILE HG12 . 11119 1 1001 . 1 1 89 89 ILE HG13 H 1 1.066 0.030 . 2 . . . . 89 ILE HG13 . 11119 1 1002 . 1 1 89 89 ILE HG21 H 1 0.811 0.030 . 1 . . . . 89 ILE HG2 . 11119 1 1003 . 1 1 89 89 ILE HG22 H 1 0.811 0.030 . 1 . . . . 89 ILE HG2 . 11119 1 1004 . 1 1 89 89 ILE HG23 H 1 0.811 0.030 . 1 . . . . 89 ILE HG2 . 11119 1 1005 . 1 1 89 89 ILE C C 13 176.557 0.300 . 1 . . . . 89 ILE C . 11119 1 1006 . 1 1 89 89 ILE CA C 13 59.586 0.300 . 1 . . . . 89 ILE CA . 11119 1 1007 . 1 1 89 89 ILE CB C 13 39.168 0.300 . 1 . . . . 89 ILE CB . 11119 1 1008 . 1 1 89 89 ILE CD1 C 13 12.827 0.300 . 1 . . . . 89 ILE CD1 . 11119 1 1009 . 1 1 89 89 ILE CG1 C 13 27.613 0.300 . 1 . . . . 89 ILE CG1 . 11119 1 1010 . 1 1 89 89 ILE CG2 C 13 19.401 0.300 . 1 . . . . 89 ILE CG2 . 11119 1 1011 . 1 1 89 89 ILE N N 15 118.897 0.300 . 1 . . . . 89 ILE N . 11119 1 1012 . 1 1 90 90 PHE H H 1 9.359 0.030 . 1 . . . . 90 PHE H . 11119 1 1013 . 1 1 90 90 PHE HA H 1 5.562 0.030 . 1 . . . . 90 PHE HA . 11119 1 1014 . 1 1 90 90 PHE HB2 H 1 2.913 0.030 . 2 . . . . 90 PHE HB2 . 11119 1 1015 . 1 1 90 90 PHE HB3 H 1 2.729 0.030 . 2 . . . . 90 PHE HB3 . 11119 1 1016 . 1 1 90 90 PHE HD1 H 1 7.100 0.030 . 1 . . . . 90 PHE HD1 . 11119 1 1017 . 1 1 90 90 PHE HD2 H 1 7.100 0.030 . 1 . . . . 90 PHE HD2 . 11119 1 1018 . 1 1 90 90 PHE HE1 H 1 6.839 0.030 . 1 . . . . 90 PHE HE1 . 11119 1 1019 . 1 1 90 90 PHE HE2 H 1 6.839 0.030 . 1 . . . . 90 PHE HE2 . 11119 1 1020 . 1 1 90 90 PHE HZ H 1 6.557 0.030 . 1 . . . . 90 PHE HZ . 11119 1 1021 . 1 1 90 90 PHE C C 13 176.018 0.300 . 1 . . . . 90 PHE C . 11119 1 1022 . 1 1 90 90 PHE CA C 13 57.212 0.300 . 1 . . . . 90 PHE CA . 11119 1 1023 . 1 1 90 90 PHE CB C 13 43.960 0.300 . 1 . . . . 90 PHE CB . 11119 1 1024 . 1 1 90 90 PHE CD1 C 13 132.565 0.300 . 1 . . . . 90 PHE CD1 . 11119 1 1025 . 1 1 90 90 PHE CD2 C 13 132.565 0.300 . 1 . . . . 90 PHE CD2 . 11119 1 1026 . 1 1 90 90 PHE CE1 C 13 130.861 0.300 . 1 . . . . 90 PHE CE1 . 11119 1 1027 . 1 1 90 90 PHE CE2 C 13 130.861 0.300 . 1 . . . . 90 PHE CE2 . 11119 1 1028 . 1 1 90 90 PHE CZ C 13 128.208 0.300 . 1 . . . . 90 PHE CZ . 11119 1 1029 . 1 1 90 90 PHE N N 15 124.299 0.300 . 1 . . . . 90 PHE N . 11119 1 1030 . 1 1 91 91 ARG H H 1 9.268 0.030 . 1 . . . . 91 ARG H . 11119 1 1031 . 1 1 91 91 ARG HA H 1 4.498 0.030 . 1 . . . . 91 ARG HA . 11119 1 1032 . 1 1 91 91 ARG HB2 H 1 1.755 0.030 . 1 . . . . 91 ARG HB2 . 11119 1 1033 . 1 1 91 91 ARG HB3 H 1 1.755 0.030 . 1 . . . . 91 ARG HB3 . 11119 1 1034 . 1 1 91 91 ARG HD2 H 1 3.080 0.030 . 2 . . . . 91 ARG HD2 . 11119 1 1035 . 1 1 91 91 ARG HD3 H 1 3.141 0.030 . 2 . . . . 91 ARG HD3 . 11119 1 1036 . 1 1 91 91 ARG HE H 1 8.006 0.030 . 1 . . . . 91 ARG HE . 11119 1 1037 . 1 1 91 91 ARG HG2 H 1 1.563 0.030 . 2 . . . . 91 ARG HG2 . 11119 1 1038 . 1 1 91 91 ARG C C 13 173.286 0.300 . 1 . . . . 91 ARG C . 11119 1 1039 . 1 1 91 91 ARG CA C 13 55.683 0.300 . 1 . . . . 91 ARG CA . 11119 1 1040 . 1 1 91 91 ARG CB C 13 33.544 0.300 . 1 . . . . 91 ARG CB . 11119 1 1041 . 1 1 91 91 ARG CD C 13 43.220 0.300 . 1 . . . . 91 ARG CD . 11119 1 1042 . 1 1 91 91 ARG CG C 13 27.838 0.300 . 1 . . . . 91 ARG CG . 11119 1 1043 . 1 1 91 91 ARG N N 15 119.351 0.300 . 1 . . . . 91 ARG N . 11119 1 1044 . 1 1 91 91 ARG NE N 15 84.562 0.300 . 1 . . . . 91 ARG NE . 11119 1 1045 . 1 1 92 92 VAL H H 1 8.568 0.030 . 1 . . . . 92 VAL H . 11119 1 1046 . 1 1 92 92 VAL HA H 1 5.042 0.030 . 1 . . . . 92 VAL HA . 11119 1 1047 . 1 1 92 92 VAL HB H 1 1.289 0.030 . 1 . . . . 92 VAL HB . 11119 1 1048 . 1 1 92 92 VAL HG11 H 1 -0.306 0.030 . 1 . . . . 92 VAL HG1 . 11119 1 1049 . 1 1 92 92 VAL HG12 H 1 -0.306 0.030 . 1 . . . . 92 VAL HG1 . 11119 1 1050 . 1 1 92 92 VAL HG13 H 1 -0.306 0.030 . 1 . . . . 92 VAL HG1 . 11119 1 1051 . 1 1 92 92 VAL HG21 H 1 0.469 0.030 . 1 . . . . 92 VAL HG2 . 11119 1 1052 . 1 1 92 92 VAL HG22 H 1 0.469 0.030 . 1 . . . . 92 VAL HG2 . 11119 1 1053 . 1 1 92 92 VAL HG23 H 1 0.469 0.030 . 1 . . . . 92 VAL HG2 . 11119 1 1054 . 1 1 92 92 VAL C C 13 174.219 0.300 . 1 . . . . 92 VAL C . 11119 1 1055 . 1 1 92 92 VAL CA C 13 60.787 0.300 . 1 . . . . 92 VAL CA . 11119 1 1056 . 1 1 92 92 VAL CB C 13 33.892 0.300 . 1 . . . . 92 VAL CB . 11119 1 1057 . 1 1 92 92 VAL CG1 C 13 20.024 0.300 . 2 . . . . 92 VAL CG1 . 11119 1 1058 . 1 1 92 92 VAL CG2 C 13 21.841 0.300 . 2 . . . . 92 VAL CG2 . 11119 1 1059 . 1 1 92 92 VAL N N 15 121.193 0.300 . 1 . . . . 92 VAL N . 11119 1 1060 . 1 1 93 93 MET H H 1 9.040 0.030 . 1 . . . . 93 MET H . 11119 1 1061 . 1 1 93 93 MET HA H 1 4.712 0.030 . 1 . . . . 93 MET HA . 11119 1 1062 . 1 1 93 93 MET HB2 H 1 2.038 0.030 . 2 . . . . 93 MET HB2 . 11119 1 1063 . 1 1 93 93 MET HB3 H 1 1.921 0.030 . 2 . . . . 93 MET HB3 . 11119 1 1064 . 1 1 93 93 MET HE1 H 1 1.925 0.030 . 1 . . . . 93 MET HE . 11119 1 1065 . 1 1 93 93 MET HE2 H 1 1.925 0.030 . 1 . . . . 93 MET HE . 11119 1 1066 . 1 1 93 93 MET HE3 H 1 1.925 0.030 . 1 . . . . 93 MET HE . 11119 1 1067 . 1 1 93 93 MET HG2 H 1 2.490 0.030 . 2 . . . . 93 MET HG2 . 11119 1 1068 . 1 1 93 93 MET HG3 H 1 2.327 0.030 . 2 . . . . 93 MET HG3 . 11119 1 1069 . 1 1 93 93 MET C C 13 173.694 0.300 . 1 . . . . 93 MET C . 11119 1 1070 . 1 1 93 93 MET CA C 13 54.669 0.300 . 1 . . . . 93 MET CA . 11119 1 1071 . 1 1 93 93 MET CB C 13 38.056 0.300 . 1 . . . . 93 MET CB . 11119 1 1072 . 1 1 93 93 MET CE C 13 17.579 0.300 . 1 . . . . 93 MET CE . 11119 1 1073 . 1 1 93 93 MET CG C 13 31.449 0.300 . 1 . . . . 93 MET CG . 11119 1 1074 . 1 1 93 93 MET N N 15 125.591 0.300 . 1 . . . . 93 MET N . 11119 1 1075 . 1 1 94 94 ALA H H 1 9.659 0.030 . 1 . . . . 94 ALA H . 11119 1 1076 . 1 1 94 94 ALA HA H 1 4.949 0.030 . 1 . . . . 94 ALA HA . 11119 1 1077 . 1 1 94 94 ALA HB1 H 1 1.304 0.030 . 1 . . . . 94 ALA HB . 11119 1 1078 . 1 1 94 94 ALA HB2 H 1 1.304 0.030 . 1 . . . . 94 ALA HB . 11119 1 1079 . 1 1 94 94 ALA HB3 H 1 1.304 0.030 . 1 . . . . 94 ALA HB . 11119 1 1080 . 1 1 94 94 ALA C C 13 175.593 0.300 . 1 . . . . 94 ALA C . 11119 1 1081 . 1 1 94 94 ALA CA C 13 50.295 0.300 . 1 . . . . 94 ALA CA . 11119 1 1082 . 1 1 94 94 ALA CB C 13 22.510 0.300 . 1 . . . . 94 ALA CB . 11119 1 1083 . 1 1 94 94 ALA N N 15 126.543 0.300 . 1 . . . . 94 ALA N . 11119 1 1084 . 1 1 95 95 GLN H H 1 8.525 0.030 . 1 . . . . 95 GLN H . 11119 1 1085 . 1 1 95 95 GLN HA H 1 4.938 0.030 . 1 . . . . 95 GLN HA . 11119 1 1086 . 1 1 95 95 GLN HB2 H 1 1.828 0.030 . 2 . . . . 95 GLN HB2 . 11119 1 1087 . 1 1 95 95 GLN HB3 H 1 1.791 0.030 . 2 . . . . 95 GLN HB3 . 11119 1 1088 . 1 1 95 95 GLN HE21 H 1 6.993 0.030 . 2 . . . . 95 GLN HE21 . 11119 1 1089 . 1 1 95 95 GLN HE22 H 1 6.624 0.030 . 2 . . . . 95 GLN HE22 . 11119 1 1090 . 1 1 95 95 GLN HG2 H 1 2.166 0.030 . 2 . . . . 95 GLN HG2 . 11119 1 1091 . 1 1 95 95 GLN HG3 H 1 2.051 0.030 . 2 . . . . 95 GLN HG3 . 11119 1 1092 . 1 1 95 95 GLN C C 13 175.054 0.300 . 1 . . . . 95 GLN C . 11119 1 1093 . 1 1 95 95 GLN CA C 13 54.829 0.300 . 1 . . . . 95 GLN CA . 11119 1 1094 . 1 1 95 95 GLN CB C 13 30.848 0.300 . 1 . . . . 95 GLN CB . 11119 1 1095 . 1 1 95 95 GLN CG C 13 33.033 0.300 . 1 . . . . 95 GLN CG . 11119 1 1096 . 1 1 95 95 GLN N N 15 117.298 0.300 . 1 . . . . 95 GLN N . 11119 1 1097 . 1 1 95 95 GLN NE2 N 15 109.714 0.300 . 1 . . . . 95 GLN NE2 . 11119 1 1098 . 1 1 96 96 ASN H H 1 8.365 0.030 . 1 . . . . 96 ASN H . 11119 1 1099 . 1 1 96 96 ASN HA H 1 5.064 0.030 . 1 . . . . 96 ASN HA . 11119 1 1100 . 1 1 96 96 ASN HB2 H 1 3.502 0.030 . 2 . . . . 96 ASN HB2 . 11119 1 1101 . 1 1 96 96 ASN HB3 H 1 2.663 0.030 . 2 . . . . 96 ASN HB3 . 11119 1 1102 . 1 1 96 96 ASN HD21 H 1 7.831 0.030 . 2 . . . . 96 ASN HD21 . 11119 1 1103 . 1 1 96 96 ASN HD22 H 1 7.585 0.030 . 2 . . . . 96 ASN HD22 . 11119 1 1104 . 1 1 96 96 ASN C C 13 176.660 0.300 . 1 . . . . 96 ASN C . 11119 1 1105 . 1 1 96 96 ASN CA C 13 50.476 0.300 . 1 . . . . 96 ASN CA . 11119 1 1106 . 1 1 96 96 ASN CB C 13 40.155 0.300 . 1 . . . . 96 ASN CB . 11119 1 1107 . 1 1 96 96 ASN N N 15 121.546 0.300 . 1 . . . . 96 ASN N . 11119 1 1108 . 1 1 96 96 ASN ND2 N 15 110.091 0.300 . 1 . . . . 96 ASN ND2 . 11119 1 1109 . 1 1 97 97 LYS H H 1 8.104 0.030 . 1 . . . . 97 LYS H . 11119 1 1110 . 1 1 97 97 LYS HA H 1 3.998 0.030 . 1 . . . . 97 LYS HA . 11119 1 1111 . 1 1 97 97 LYS HB2 H 1 1.469 0.030 . 2 . . . . 97 LYS HB2 . 11119 1 1112 . 1 1 97 97 LYS HB3 H 1 1.617 0.030 . 2 . . . . 97 LYS HB3 . 11119 1 1113 . 1 1 97 97 LYS HD2 H 1 1.510 0.030 . 1 . . . . 97 LYS HD2 . 11119 1 1114 . 1 1 97 97 LYS HD3 H 1 1.510 0.030 . 1 . . . . 97 LYS HD3 . 11119 1 1115 . 1 1 97 97 LYS HE2 H 1 2.858 0.030 . 1 . . . . 97 LYS HE2 . 11119 1 1116 . 1 1 97 97 LYS HE3 H 1 2.858 0.030 . 1 . . . . 97 LYS HE3 . 11119 1 1117 . 1 1 97 97 LYS HG2 H 1 0.647 0.030 . 2 . . . . 97 LYS HG2 . 11119 1 1118 . 1 1 97 97 LYS HG3 H 1 1.054 0.030 . 2 . . . . 97 LYS HG3 . 11119 1 1119 . 1 1 97 97 LYS C C 13 176.597 0.300 . 1 . . . . 97 LYS C . 11119 1 1120 . 1 1 97 97 LYS CA C 13 58.302 0.300 . 1 . . . . 97 LYS CA . 11119 1 1121 . 1 1 97 97 LYS CB C 13 31.553 0.300 . 1 . . . . 97 LYS CB . 11119 1 1122 . 1 1 97 97 LYS CD C 13 29.134 0.300 . 1 . . . . 97 LYS CD . 11119 1 1123 . 1 1 97 97 LYS CE C 13 41.925 0.300 . 1 . . . . 97 LYS CE . 11119 1 1124 . 1 1 97 97 LYS CG C 13 23.310 0.300 . 1 . . . . 97 LYS CG . 11119 1 1125 . 1 1 97 97 LYS N N 15 115.620 0.300 . 1 . . . . 97 LYS N . 11119 1 1126 . 1 1 98 98 HIS H H 1 7.805 0.030 . 1 . . . . 98 HIS H . 11119 1 1127 . 1 1 98 98 HIS HA H 1 4.559 0.030 . 1 . . . . 98 HIS HA . 11119 1 1128 . 1 1 98 98 HIS HB2 H 1 3.091 0.030 . 2 . . . . 98 HIS HB2 . 11119 1 1129 . 1 1 98 98 HIS HB3 H 1 2.972 0.030 . 2 . . . . 98 HIS HB3 . 11119 1 1130 . 1 1 98 98 HIS HD2 H 1 6.966 0.030 . 1 . . . . 98 HIS HD2 . 11119 1 1131 . 1 1 98 98 HIS HE1 H 1 7.739 0.030 . 1 . . . . 98 HIS HE1 . 11119 1 1132 . 1 1 98 98 HIS C C 13 175.431 0.300 . 1 . . . . 98 HIS C . 11119 1 1133 . 1 1 98 98 HIS CA C 13 56.380 0.300 . 1 . . . . 98 HIS CA . 11119 1 1134 . 1 1 98 98 HIS CB C 13 30.551 0.300 . 1 . . . . 98 HIS CB . 11119 1 1135 . 1 1 98 98 HIS CD2 C 13 121.912 0.300 . 1 . . . . 98 HIS CD2 . 11119 1 1136 . 1 1 98 98 HIS CE1 C 13 138.605 0.300 . 1 . . . . 98 HIS CE1 . 11119 1 1137 . 1 1 98 98 HIS N N 15 117.739 0.300 . 1 . . . . 98 HIS N . 11119 1 1138 . 1 1 99 99 GLY H H 1 7.758 0.030 . 1 . . . . 99 GLY H . 11119 1 1139 . 1 1 99 99 GLY HA2 H 1 4.434 0.030 . 2 . . . . 99 GLY HA2 . 11119 1 1140 . 1 1 99 99 GLY HA3 H 1 3.867 0.030 . 2 . . . . 99 GLY HA3 . 11119 1 1141 . 1 1 99 99 GLY C C 13 171.184 0.300 . 1 . . . . 99 GLY C . 11119 1 1142 . 1 1 99 99 GLY CA C 13 45.014 0.300 . 1 . . . . 99 GLY CA . 11119 1 1143 . 1 1 99 99 GLY N N 15 107.486 0.300 . 1 . . . . 99 GLY N . 11119 1 1144 . 1 1 100 100 SER H H 1 8.220 0.030 . 1 . . . . 100 SER H . 11119 1 1145 . 1 1 100 100 SER HA H 1 5.012 0.030 . 1 . . . . 100 SER HA . 11119 1 1146 . 1 1 100 100 SER HB2 H 1 4.053 0.030 . 2 . . . . 100 SER HB2 . 11119 1 1147 . 1 1 100 100 SER HB3 H 1 3.882 0.030 . 2 . . . . 100 SER HB3 . 11119 1 1148 . 1 1 100 100 SER C C 13 174.915 0.300 . 1 . . . . 100 SER C . 11119 1 1149 . 1 1 100 100 SER CA C 13 57.728 0.300 . 1 . . . . 100 SER CA . 11119 1 1150 . 1 1 100 100 SER CB C 13 64.883 0.300 . 1 . . . . 100 SER CB . 11119 1 1151 . 1 1 100 100 SER N N 15 114.539 0.300 . 1 . . . . 100 SER N . 11119 1 1152 . 1 1 101 101 GLY H H 1 8.640 0.030 . 1 . . . . 101 GLY H . 11119 1 1153 . 1 1 101 101 GLY HA2 H 1 4.377 0.030 . 2 . . . . 101 GLY HA2 . 11119 1 1154 . 1 1 101 101 GLY HA3 H 1 4.182 0.030 . 2 . . . . 101 GLY HA3 . 11119 1 1155 . 1 1 101 101 GLY C C 13 173.201 0.300 . 1 . . . . 101 GLY C . 11119 1 1156 . 1 1 101 101 GLY CA C 13 44.364 0.300 . 1 . . . . 101 GLY CA . 11119 1 1157 . 1 1 101 101 GLY N N 15 109.722 0.300 . 1 . . . . 101 GLY N . 11119 1 1158 . 1 1 102 102 GLU H H 1 7.275 0.030 . 1 . . . . 102 GLU H . 11119 1 1159 . 1 1 102 102 GLU HA H 1 4.141 0.030 . 1 . . . . 102 GLU HA . 11119 1 1160 . 1 1 102 102 GLU HB2 H 1 1.961 0.030 . 2 . . . . 102 GLU HB2 . 11119 1 1161 . 1 1 102 102 GLU HB3 H 1 1.859 0.030 . 2 . . . . 102 GLU HB3 . 11119 1 1162 . 1 1 102 102 GLU HG2 H 1 2.427 0.030 . 1 . . . . 102 GLU HG2 . 11119 1 1163 . 1 1 102 102 GLU HG3 H 1 2.427 0.030 . 1 . . . . 102 GLU HG3 . 11119 1 1164 . 1 1 102 102 GLU C C 13 177.240 0.300 . 1 . . . . 102 GLU C . 11119 1 1165 . 1 1 102 102 GLU CA C 13 55.985 0.300 . 1 . . . . 102 GLU CA . 11119 1 1166 . 1 1 102 102 GLU CB C 13 31.581 0.300 . 1 . . . . 102 GLU CB . 11119 1 1167 . 1 1 102 102 GLU CG C 13 36.241 0.300 . 1 . . . . 102 GLU CG . 11119 1 1168 . 1 1 102 102 GLU N N 15 117.631 0.300 . 1 . . . . 102 GLU N . 11119 1 1169 . 1 1 103 103 SER H H 1 8.690 0.030 . 1 . . . . 103 SER H . 11119 1 1170 . 1 1 103 103 SER HA H 1 4.829 0.030 . 1 . . . . 103 SER HA . 11119 1 1171 . 1 1 103 103 SER HB2 H 1 3.718 0.030 . 1 . . . . 103 SER HB2 . 11119 1 1172 . 1 1 103 103 SER HB3 H 1 3.718 0.030 . 1 . . . . 103 SER HB3 . 11119 1 1173 . 1 1 103 103 SER C C 13 175.864 0.300 . 1 . . . . 103 SER C . 11119 1 1174 . 1 1 103 103 SER CA C 13 58.101 0.300 . 1 . . . . 103 SER CA . 11119 1 1175 . 1 1 103 103 SER CB C 13 64.804 0.300 . 1 . . . . 103 SER CB . 11119 1 1176 . 1 1 103 103 SER N N 15 116.744 0.300 . 1 . . . . 103 SER N . 11119 1 1177 . 1 1 104 104 SER H H 1 9.199 0.030 . 1 . . . . 104 SER H . 11119 1 1178 . 1 1 104 104 SER HA H 1 4.308 0.030 . 1 . . . . 104 SER HA . 11119 1 1179 . 1 1 104 104 SER HB2 H 1 4.384 0.030 . 2 . . . . 104 SER HB2 . 11119 1 1180 . 1 1 104 104 SER HB3 H 1 3.902 0.030 . 2 . . . . 104 SER HB3 . 11119 1 1181 . 1 1 104 104 SER C C 13 173.847 0.300 . 1 . . . . 104 SER C . 11119 1 1182 . 1 1 104 104 SER CA C 13 59.192 0.300 . 1 . . . . 104 SER CA . 11119 1 1183 . 1 1 104 104 SER CB C 13 64.724 0.300 . 1 . . . . 104 SER CB . 11119 1 1184 . 1 1 104 104 SER N N 15 119.171 0.300 . 1 . . . . 104 SER N . 11119 1 1185 . 1 1 105 105 ALA H H 1 8.676 0.030 . 1 . . . . 105 ALA H . 11119 1 1186 . 1 1 105 105 ALA HA H 1 4.562 0.030 . 1 . . . . 105 ALA HA . 11119 1 1187 . 1 1 105 105 ALA HB1 H 1 1.480 0.030 . 1 . . . . 105 ALA HB . 11119 1 1188 . 1 1 105 105 ALA HB2 H 1 1.480 0.030 . 1 . . . . 105 ALA HB . 11119 1 1189 . 1 1 105 105 ALA HB3 H 1 1.480 0.030 . 1 . . . . 105 ALA HB . 11119 1 1190 . 1 1 105 105 ALA C C 13 175.932 0.300 . 1 . . . . 105 ALA C . 11119 1 1191 . 1 1 105 105 ALA CA C 13 50.994 0.300 . 1 . . . . 105 ALA CA . 11119 1 1192 . 1 1 105 105 ALA CB C 13 17.140 0.300 . 1 . . . . 105 ALA CB . 11119 1 1193 . 1 1 105 105 ALA N N 15 125.120 0.300 . 1 . . . . 105 ALA N . 11119 1 1194 . 1 1 106 106 PRO HA H 1 4.545 0.030 . 1 . . . . 106 PRO HA . 11119 1 1195 . 1 1 106 106 PRO HB2 H 1 2.034 0.030 . 2 . . . . 106 PRO HB2 . 11119 1 1196 . 1 1 106 106 PRO HB3 H 1 1.804 0.030 . 2 . . . . 106 PRO HB3 . 11119 1 1197 . 1 1 106 106 PRO HD2 H 1 3.843 0.030 . 2 . . . . 106 PRO HD2 . 11119 1 1198 . 1 1 106 106 PRO HD3 H 1 3.692 0.030 . 2 . . . . 106 PRO HD3 . 11119 1 1199 . 1 1 106 106 PRO HG2 H 1 1.915 0.030 . 2 . . . . 106 PRO HG2 . 11119 1 1200 . 1 1 106 106 PRO HG3 H 1 2.143 0.030 . 2 . . . . 106 PRO HG3 . 11119 1 1201 . 1 1 106 106 PRO C C 13 176.004 0.300 . 1 . . . . 106 PRO C . 11119 1 1202 . 1 1 106 106 PRO CA C 13 63.205 0.300 . 1 . . . . 106 PRO CA . 11119 1 1203 . 1 1 106 106 PRO CB C 13 32.179 0.300 . 1 . . . . 106 PRO CB . 11119 1 1204 . 1 1 106 106 PRO CD C 13 50.175 0.300 . 1 . . . . 106 PRO CD . 11119 1 1205 . 1 1 106 106 PRO CG C 13 27.842 0.300 . 1 . . . . 106 PRO CG . 11119 1 1206 . 1 1 107 107 LEU H H 1 9.241 0.030 . 1 . . . . 107 LEU H . 11119 1 1207 . 1 1 107 107 LEU HA H 1 4.757 0.030 . 1 . . . . 107 LEU HA . 11119 1 1208 . 1 1 107 107 LEU HB2 H 1 1.880 0.030 . 2 . . . . 107 LEU HB2 . 11119 1 1209 . 1 1 107 107 LEU HB3 H 1 1.524 0.030 . 2 . . . . 107 LEU HB3 . 11119 1 1210 . 1 1 107 107 LEU HD11 H 1 1.040 0.030 . 1 . . . . 107 LEU HD1 . 11119 1 1211 . 1 1 107 107 LEU HD12 H 1 1.040 0.030 . 1 . . . . 107 LEU HD1 . 11119 1 1212 . 1 1 107 107 LEU HD13 H 1 1.040 0.030 . 1 . . . . 107 LEU HD1 . 11119 1 1213 . 1 1 107 107 LEU HD21 H 1 0.712 0.030 . 1 . . . . 107 LEU HD2 . 11119 1 1214 . 1 1 107 107 LEU HD22 H 1 0.712 0.030 . 1 . . . . 107 LEU HD2 . 11119 1 1215 . 1 1 107 107 LEU HD23 H 1 0.712 0.030 . 1 . . . . 107 LEU HD2 . 11119 1 1216 . 1 1 107 107 LEU HG H 1 1.442 0.030 . 1 . . . . 107 LEU HG . 11119 1 1217 . 1 1 107 107 LEU C C 13 174.787 0.300 . 1 . . . . 107 LEU C . 11119 1 1218 . 1 1 107 107 LEU CA C 13 53.582 0.300 . 1 . . . . 107 LEU CA . 11119 1 1219 . 1 1 107 107 LEU CB C 13 45.065 0.300 . 1 . . . . 107 LEU CB . 11119 1 1220 . 1 1 107 107 LEU CD1 C 13 23.219 0.300 . 2 . . . . 107 LEU CD1 . 11119 1 1221 . 1 1 107 107 LEU CD2 C 13 26.591 0.300 . 2 . . . . 107 LEU CD2 . 11119 1 1222 . 1 1 107 107 LEU CG C 13 27.374 0.300 . 1 . . . . 107 LEU CG . 11119 1 1223 . 1 1 107 107 LEU N N 15 127.228 0.300 . 1 . . . . 107 LEU N . 11119 1 1224 . 1 1 108 108 ARG H H 1 8.752 0.030 . 1 . . . . 108 ARG H . 11119 1 1225 . 1 1 108 108 ARG HA H 1 5.211 0.030 . 1 . . . . 108 ARG HA . 11119 1 1226 . 1 1 108 108 ARG HB2 H 1 1.758 0.030 . 2 . . . . 108 ARG HB2 . 11119 1 1227 . 1 1 108 108 ARG HB3 H 1 1.672 0.030 . 2 . . . . 108 ARG HB3 . 11119 1 1228 . 1 1 108 108 ARG HD2 H 1 3.164 0.030 . 1 . . . . 108 ARG HD2 . 11119 1 1229 . 1 1 108 108 ARG HD3 H 1 3.164 0.030 . 1 . . . . 108 ARG HD3 . 11119 1 1230 . 1 1 108 108 ARG HG2 H 1 1.437 0.030 . 2 . . . . 108 ARG HG2 . 11119 1 1231 . 1 1 108 108 ARG HG3 H 1 1.373 0.030 . 2 . . . . 108 ARG HG3 . 11119 1 1232 . 1 1 108 108 ARG C C 13 176.167 0.300 . 1 . . . . 108 ARG C . 11119 1 1233 . 1 1 108 108 ARG CA C 13 55.405 0.300 . 1 . . . . 108 ARG CA . 11119 1 1234 . 1 1 108 108 ARG CB C 13 31.786 0.300 . 1 . . . . 108 ARG CB . 11119 1 1235 . 1 1 108 108 ARG CD C 13 43.457 0.300 . 1 . . . . 108 ARG CD . 11119 1 1236 . 1 1 108 108 ARG CG C 13 28.225 0.300 . 1 . . . . 108 ARG CG . 11119 1 1237 . 1 1 108 108 ARG N N 15 129.316 0.300 . 1 . . . . 108 ARG N . 11119 1 1238 . 1 1 109 109 VAL H H 1 9.619 0.030 . 1 . . . . 109 VAL H . 11119 1 1239 . 1 1 109 109 VAL HA H 1 4.371 0.030 . 1 . . . . 109 VAL HA . 11119 1 1240 . 1 1 109 109 VAL HB H 1 2.179 0.030 . 1 . . . . 109 VAL HB . 11119 1 1241 . 1 1 109 109 VAL HG11 H 1 0.968 0.030 . 1 . . . . 109 VAL HG1 . 11119 1 1242 . 1 1 109 109 VAL HG12 H 1 0.968 0.030 . 1 . . . . 109 VAL HG1 . 11119 1 1243 . 1 1 109 109 VAL HG13 H 1 0.968 0.030 . 1 . . . . 109 VAL HG1 . 11119 1 1244 . 1 1 109 109 VAL HG21 H 1 0.938 0.030 . 1 . . . . 109 VAL HG2 . 11119 1 1245 . 1 1 109 109 VAL HG22 H 1 0.938 0.030 . 1 . . . . 109 VAL HG2 . 11119 1 1246 . 1 1 109 109 VAL HG23 H 1 0.938 0.030 . 1 . . . . 109 VAL HG2 . 11119 1 1247 . 1 1 109 109 VAL C C 13 172.583 0.300 . 1 . . . . 109 VAL C . 11119 1 1248 . 1 1 109 109 VAL CA C 13 61.668 0.300 . 1 . . . . 109 VAL CA . 11119 1 1249 . 1 1 109 109 VAL CB C 13 36.483 0.300 . 1 . . . . 109 VAL CB . 11119 1 1250 . 1 1 109 109 VAL CG1 C 13 22.985 0.300 . 2 . . . . 109 VAL CG1 . 11119 1 1251 . 1 1 109 109 VAL CG2 C 13 21.849 0.300 . 2 . . . . 109 VAL CG2 . 11119 1 1252 . 1 1 109 109 VAL N N 15 127.706 0.300 . 1 . . . . 109 VAL N . 11119 1 1253 . 1 1 110 110 GLU H H 1 8.455 0.030 . 1 . . . . 110 GLU H . 11119 1 1254 . 1 1 110 110 GLU HA H 1 5.441 0.030 . 1 . . . . 110 GLU HA . 11119 1 1255 . 1 1 110 110 GLU HB2 H 1 1.970 0.030 . 2 . . . . 110 GLU HB2 . 11119 1 1256 . 1 1 110 110 GLU HB3 H 1 1.736 0.030 . 2 . . . . 110 GLU HB3 . 11119 1 1257 . 1 1 110 110 GLU HG2 H 1 2.482 0.030 . 2 . . . . 110 GLU HG2 . 11119 1 1258 . 1 1 110 110 GLU HG3 H 1 1.831 0.030 . 2 . . . . 110 GLU HG3 . 11119 1 1259 . 1 1 110 110 GLU C C 13 177.004 0.300 . 1 . . . . 110 GLU C . 11119 1 1260 . 1 1 110 110 GLU CA C 13 53.430 0.300 . 1 . . . . 110 GLU CA . 11119 1 1261 . 1 1 110 110 GLU CB C 13 32.695 0.300 . 1 . . . . 110 GLU CB . 11119 1 1262 . 1 1 110 110 GLU CG C 13 35.952 0.300 . 1 . . . . 110 GLU CG . 11119 1 1263 . 1 1 110 110 GLU N N 15 128.298 0.300 . 1 . . . . 110 GLU N . 11119 1 1264 . 1 1 111 111 THR H H 1 9.065 0.030 . 1 . . . . 111 THR H . 11119 1 1265 . 1 1 111 111 THR HA H 1 4.135 0.030 . 1 . . . . 111 THR HA . 11119 1 1266 . 1 1 111 111 THR HB H 1 4.863 0.030 . 1 . . . . 111 THR HB . 11119 1 1267 . 1 1 111 111 THR HG21 H 1 1.168 0.030 . 1 . . . . 111 THR HG2 . 11119 1 1268 . 1 1 111 111 THR HG22 H 1 1.168 0.030 . 1 . . . . 111 THR HG2 . 11119 1 1269 . 1 1 111 111 THR HG23 H 1 1.168 0.030 . 1 . . . . 111 THR HG2 . 11119 1 1270 . 1 1 111 111 THR C C 13 175.877 0.300 . 1 . . . . 111 THR C . 11119 1 1271 . 1 1 111 111 THR CA C 13 61.481 0.300 . 1 . . . . 111 THR CA . 11119 1 1272 . 1 1 111 111 THR CB C 13 69.723 0.300 . 1 . . . . 111 THR CB . 11119 1 1273 . 1 1 111 111 THR CG2 C 13 24.256 0.300 . 1 . . . . 111 THR CG2 . 11119 1 1274 . 1 1 111 111 THR N N 15 116.052 0.300 . 1 . . . . 111 THR N . 11119 1 1275 . 1 1 112 112 GLN H H 1 7.614 0.030 . 1 . . . . 112 GLN H . 11119 1 1276 . 1 1 112 112 GLN HA H 1 4.329 0.030 . 1 . . . . 112 GLN HA . 11119 1 1277 . 1 1 112 112 GLN HB2 H 1 2.124 0.030 . 2 . . . . 112 GLN HB2 . 11119 1 1278 . 1 1 112 112 GLN HB3 H 1 1.432 0.030 . 2 . . . . 112 GLN HB3 . 11119 1 1279 . 1 1 112 112 GLN HE21 H 1 7.307 0.030 . 2 . . . . 112 GLN HE21 . 11119 1 1280 . 1 1 112 112 GLN HE22 H 1 6.812 0.030 . 2 . . . . 112 GLN HE22 . 11119 1 1281 . 1 1 112 112 GLN HG2 H 1 2.325 0.030 . 2 . . . . 112 GLN HG2 . 11119 1 1282 . 1 1 112 112 GLN C C 13 174.548 0.300 . 1 . . . . 112 GLN C . 11119 1 1283 . 1 1 112 112 GLN CA C 13 54.646 0.300 . 1 . . . . 112 GLN CA . 11119 1 1284 . 1 1 112 112 GLN CB C 13 28.390 0.300 . 1 . . . . 112 GLN CB . 11119 1 1285 . 1 1 112 112 GLN CG C 13 33.988 0.300 . 1 . . . . 112 GLN CG . 11119 1 1286 . 1 1 112 112 GLN N N 15 118.492 0.300 . 1 . . . . 112 GLN N . 11119 1 1287 . 1 1 112 112 GLN NE2 N 15 111.388 0.300 . 1 . . . . 112 GLN NE2 . 11119 1 1288 . 1 1 113 113 PRO HA H 1 4.636 0.030 . 1 . . . . 113 PRO HA . 11119 1 1289 . 1 1 113 113 PRO HB2 H 1 2.266 0.030 . 2 . . . . 113 PRO HB2 . 11119 1 1290 . 1 1 113 113 PRO HB3 H 1 1.965 0.030 . 2 . . . . 113 PRO HB3 . 11119 1 1291 . 1 1 113 113 PRO HD2 H 1 3.651 0.030 . 2 . . . . 113 PRO HD2 . 11119 1 1292 . 1 1 113 113 PRO HD3 H 1 3.793 0.030 . 2 . . . . 113 PRO HD3 . 11119 1 1293 . 1 1 113 113 PRO HG2 H 1 2.056 0.030 . 2 . . . . 113 PRO HG2 . 11119 1 1294 . 1 1 113 113 PRO HG3 H 1 1.991 0.030 . 2 . . . . 113 PRO HG3 . 11119 1 1295 . 1 1 113 113 PRO C C 13 176.545 0.300 . 1 . . . . 113 PRO C . 11119 1 1296 . 1 1 113 113 PRO CA C 13 62.173 0.300 . 1 . . . . 113 PRO CA . 11119 1 1297 . 1 1 113 113 PRO CB C 13 32.107 0.300 . 1 . . . . 113 PRO CB . 11119 1 1298 . 1 1 113 113 PRO CD C 13 49.644 0.300 . 1 . . . . 113 PRO CD . 11119 1 1299 . 1 1 113 113 PRO CG C 13 26.924 0.300 . 1 . . . . 113 PRO CG . 11119 1 1300 . 1 1 114 114 GLU H H 1 8.715 0.030 . 1 . . . . 114 GLU H . 11119 1 1301 . 1 1 114 114 GLU HA H 1 4.429 0.030 . 1 . . . . 114 GLU HA . 11119 1 1302 . 1 1 114 114 GLU HB2 H 1 2.085 0.030 . 2 . . . . 114 GLU HB2 . 11119 1 1303 . 1 1 114 114 GLU HB3 H 1 1.855 0.030 . 2 . . . . 114 GLU HB3 . 11119 1 1304 . 1 1 114 114 GLU HG2 H 1 2.286 0.030 . 1 . . . . 114 GLU HG2 . 11119 1 1305 . 1 1 114 114 GLU HG3 H 1 2.286 0.030 . 1 . . . . 114 GLU HG3 . 11119 1 1306 . 1 1 114 114 GLU C C 13 176.319 0.300 . 1 . . . . 114 GLU C . 11119 1 1307 . 1 1 114 114 GLU CA C 13 56.230 0.300 . 1 . . . . 114 GLU CA . 11119 1 1308 . 1 1 114 114 GLU CB C 13 31.493 0.300 . 1 . . . . 114 GLU CB . 11119 1 1309 . 1 1 114 114 GLU CG C 13 37.328 0.300 . 1 . . . . 114 GLU CG . 11119 1 1310 . 1 1 114 114 GLU N N 15 120.110 0.300 . 1 . . . . 114 GLU N . 11119 1 1311 . 1 1 115 115 SER H H 1 8.415 0.030 . 1 . . . . 115 SER H . 11119 1 1312 . 1 1 115 115 SER HA H 1 4.478 0.030 . 1 . . . . 115 SER HA . 11119 1 1313 . 1 1 115 115 SER HB2 H 1 3.872 0.030 . 2 . . . . 115 SER HB2 . 11119 1 1314 . 1 1 115 115 SER C C 13 174.480 0.300 . 1 . . . . 115 SER C . 11119 1 1315 . 1 1 115 115 SER CA C 13 58.208 0.300 . 1 . . . . 115 SER CA . 11119 1 1316 . 1 1 115 115 SER CB C 13 63.984 0.300 . 1 . . . . 115 SER CB . 11119 1 1317 . 1 1 115 115 SER N N 15 117.782 0.300 . 1 . . . . 115 SER N . 11119 1 1318 . 1 1 116 116 GLY H H 1 8.325 0.030 . 1 . . . . 116 GLY H . 11119 1 1319 . 1 1 116 116 GLY HA2 H 1 4.187 0.030 . 2 . . . . 116 GLY HA2 . 11119 1 1320 . 1 1 116 116 GLY HA3 H 1 4.099 0.030 . 2 . . . . 116 GLY HA3 . 11119 1 1321 . 1 1 116 116 GLY C C 13 171.780 0.300 . 1 . . . . 116 GLY C . 11119 1 1322 . 1 1 116 116 GLY CA C 13 44.663 0.300 . 1 . . . . 116 GLY CA . 11119 1 1323 . 1 1 116 116 GLY N N 15 110.807 0.300 . 1 . . . . 116 GLY N . 11119 1 1324 . 1 1 117 117 PRO HA H 1 4.490 0.030 . 1 . . . . 117 PRO HA . 11119 1 1325 . 1 1 117 117 PRO HB2 H 1 2.288 0.030 . 2 . . . . 117 PRO HB2 . 11119 1 1326 . 1 1 117 117 PRO HD2 H 1 3.640 0.030 . 1 . . . . 117 PRO HD2 . 11119 1 1327 . 1 1 117 117 PRO HD3 H 1 3.640 0.030 . 1 . . . . 117 PRO HD3 . 11119 1 1328 . 1 1 117 117 PRO HG2 H 1 2.030 0.030 . 2 . . . . 117 PRO HG2 . 11119 1 1329 . 1 1 117 117 PRO C C 13 177.397 0.300 . 1 . . . . 117 PRO C . 11119 1 1330 . 1 1 117 117 PRO CA C 13 63.239 0.300 . 1 . . . . 117 PRO CA . 11119 1 1331 . 1 1 117 117 PRO CB C 13 32.190 0.300 . 1 . . . . 117 PRO CB . 11119 1 1332 . 1 1 117 117 PRO CD C 13 49.769 0.300 . 1 . . . . 117 PRO CD . 11119 1 1333 . 1 1 117 117 PRO CG C 13 27.196 0.300 . 1 . . . . 117 PRO CG . 11119 1 1334 . 1 1 118 118 SER H H 1 8.541 0.030 . 1 . . . . 118 SER H . 11119 1 1335 . 1 1 118 118 SER HA H 1 4.514 0.030 . 1 . . . . 118 SER HA . 11119 1 1336 . 1 1 118 118 SER HB2 H 1 3.911 0.030 . 2 . . . . 118 SER HB2 . 11119 1 1337 . 1 1 118 118 SER C C 13 174.726 0.300 . 1 . . . . 118 SER C . 11119 1 1338 . 1 1 118 118 SER CA C 13 58.386 0.300 . 1 . . . . 118 SER CA . 11119 1 1339 . 1 1 118 118 SER CB C 13 64.134 0.300 . 1 . . . . 118 SER CB . 11119 1 1340 . 1 1 118 118 SER N N 15 116.520 0.300 . 1 . . . . 118 SER N . 11119 1 1341 . 1 1 119 119 SER H H 1 8.347 0.030 . 1 . . . . 119 SER H . 11119 1 1342 . 1 1 119 119 SER HA H 1 4.493 0.030 . 1 . . . . 119 SER HA . 11119 1 1343 . 1 1 119 119 SER HB2 H 1 3.911 0.030 . 2 . . . . 119 SER HB2 . 11119 1 1344 . 1 1 119 119 SER C C 13 173.946 0.300 . 1 . . . . 119 SER C . 11119 1 1345 . 1 1 119 119 SER CA C 13 58.404 0.300 . 1 . . . . 119 SER CA . 11119 1 1346 . 1 1 119 119 SER CB C 13 64.157 0.300 . 1 . . . . 119 SER CB . 11119 1 1347 . 1 1 119 119 SER N N 15 117.990 0.300 . 1 . . . . 119 SER N . 11119 1 1348 . 1 1 120 120 GLY H H 1 8.059 0.030 . 1 . . . . 120 GLY H . 11119 1 1349 . 1 1 120 120 GLY HA2 H 1 3.790 0.030 . 2 . . . . 120 GLY HA2 . 11119 1 1350 . 1 1 120 120 GLY C C 13 179.015 0.300 . 1 . . . . 120 GLY C . 11119 1 1351 . 1 1 120 120 GLY CA C 13 46.198 0.300 . 1 . . . . 120 GLY CA . 11119 1 1352 . 1 1 120 120 GLY N N 15 116.940 0.300 . 1 . . . . 120 GLY N . 11119 1 stop_ save_