data_11304 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11304 _Entry.Title ; Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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 M. Yoneyama . . . 11304 2 N. Tochio . . . 11304 3 S. Koshiba . . . 11304 4 M. Inoue . . . 11304 5 T. Kigawa . . . 11304 6 S. Yokoyama . . . 11304 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)' . 11304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 11304 '15N chemical shifts' 114 11304 '1H chemical shifts' 793 11304 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-09 original author . 11304 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DOC 'BMRB Entry Tracking System' 11304 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11304 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Fibronectin type-III domain of human Neural cell adhesion molecule 2 ; _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 M. Yoneyama . . . 11304 1 2 N. Tochio . . . 11304 1 3 S. Koshiba . . . 11304 1 4 M. Inoue . . . 11304 1 5 T. Kigawa . . . 11304 1 6 S. Yokoyama . . . 11304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11304 _Assembly.ID 1 _Assembly.Name 'Neural cell adhesion molecule 2' _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 'Fibronectin type-III domain' 1 $entity_1 A . yes native no no . . . 11304 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 2doc . . . . . . 11304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11304 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type-III 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 ; GSSGSSGQEYILALADVPSS PYGVKIIELSQTTAKVSFNK PDSHGGVPIHHYQVDVKEVA SEIWKIVRSHGVQTMVVLNN LEPNTTYEIRVAAVNGKGQG DYSKIEIFQTLPVSGPSSG ; _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 119 _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 2DOC . "Solution Structure Of The Fibronectin Type-Iii Domain Of Human Neural Cell Adhesion Molecule 2" . . . . . 100.00 119 100.00 100.00 7.03e-79 . . . . 11304 1 2 no PDB 2XYC . "Crystal Structure Of Ncam2 Igiv-Fn3i" . . . . . 92.44 291 97.27 98.18 2.94e-68 . . . . 11304 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type-III domain' . 11304 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 . 11304 1 2 . SER . 11304 1 3 . SER . 11304 1 4 . GLY . 11304 1 5 . SER . 11304 1 6 . SER . 11304 1 7 . GLY . 11304 1 8 . GLN . 11304 1 9 . GLU . 11304 1 10 . TYR . 11304 1 11 . ILE . 11304 1 12 . LEU . 11304 1 13 . ALA . 11304 1 14 . LEU . 11304 1 15 . ALA . 11304 1 16 . ASP . 11304 1 17 . VAL . 11304 1 18 . PRO . 11304 1 19 . SER . 11304 1 20 . SER . 11304 1 21 . PRO . 11304 1 22 . TYR . 11304 1 23 . GLY . 11304 1 24 . VAL . 11304 1 25 . LYS . 11304 1 26 . ILE . 11304 1 27 . ILE . 11304 1 28 . GLU . 11304 1 29 . LEU . 11304 1 30 . SER . 11304 1 31 . GLN . 11304 1 32 . THR . 11304 1 33 . THR . 11304 1 34 . ALA . 11304 1 35 . LYS . 11304 1 36 . VAL . 11304 1 37 . SER . 11304 1 38 . PHE . 11304 1 39 . ASN . 11304 1 40 . LYS . 11304 1 41 . PRO . 11304 1 42 . ASP . 11304 1 43 . SER . 11304 1 44 . HIS . 11304 1 45 . GLY . 11304 1 46 . GLY . 11304 1 47 . VAL . 11304 1 48 . PRO . 11304 1 49 . ILE . 11304 1 50 . HIS . 11304 1 51 . HIS . 11304 1 52 . TYR . 11304 1 53 . GLN . 11304 1 54 . VAL . 11304 1 55 . ASP . 11304 1 56 . VAL . 11304 1 57 . LYS . 11304 1 58 . GLU . 11304 1 59 . VAL . 11304 1 60 . ALA . 11304 1 61 . SER . 11304 1 62 . GLU . 11304 1 63 . ILE . 11304 1 64 . TRP . 11304 1 65 . LYS . 11304 1 66 . ILE . 11304 1 67 . VAL . 11304 1 68 . ARG . 11304 1 69 . SER . 11304 1 70 . HIS . 11304 1 71 . GLY . 11304 1 72 . VAL . 11304 1 73 . GLN . 11304 1 74 . THR . 11304 1 75 . MET . 11304 1 76 . VAL . 11304 1 77 . VAL . 11304 1 78 . LEU . 11304 1 79 . ASN . 11304 1 80 . ASN . 11304 1 81 . LEU . 11304 1 82 . GLU . 11304 1 83 . PRO . 11304 1 84 . ASN . 11304 1 85 . THR . 11304 1 86 . THR . 11304 1 87 . TYR . 11304 1 88 . GLU . 11304 1 89 . ILE . 11304 1 90 . ARG . 11304 1 91 . VAL . 11304 1 92 . ALA . 11304 1 93 . ALA . 11304 1 94 . VAL . 11304 1 95 . ASN . 11304 1 96 . GLY . 11304 1 97 . LYS . 11304 1 98 . GLY . 11304 1 99 . GLN . 11304 1 100 . GLY . 11304 1 101 . ASP . 11304 1 102 . TYR . 11304 1 103 . SER . 11304 1 104 . LYS . 11304 1 105 . ILE . 11304 1 106 . GLU . 11304 1 107 . ILE . 11304 1 108 . PHE . 11304 1 109 . GLN . 11304 1 110 . THR . 11304 1 111 . LEU . 11304 1 112 . PRO . 11304 1 113 . VAL . 11304 1 114 . SER . 11304 1 115 . GLY . 11304 1 116 . PRO . 11304 1 117 . SER . 11304 1 118 . SER . 11304 1 119 . GLY . 11304 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 11304 1 . SER 2 2 11304 1 . SER 3 3 11304 1 . GLY 4 4 11304 1 . SER 5 5 11304 1 . SER 6 6 11304 1 . GLY 7 7 11304 1 . GLN 8 8 11304 1 . GLU 9 9 11304 1 . TYR 10 10 11304 1 . ILE 11 11 11304 1 . LEU 12 12 11304 1 . ALA 13 13 11304 1 . LEU 14 14 11304 1 . ALA 15 15 11304 1 . ASP 16 16 11304 1 . VAL 17 17 11304 1 . PRO 18 18 11304 1 . SER 19 19 11304 1 . SER 20 20 11304 1 . PRO 21 21 11304 1 . TYR 22 22 11304 1 . GLY 23 23 11304 1 . VAL 24 24 11304 1 . LYS 25 25 11304 1 . ILE 26 26 11304 1 . ILE 27 27 11304 1 . GLU 28 28 11304 1 . LEU 29 29 11304 1 . SER 30 30 11304 1 . GLN 31 31 11304 1 . THR 32 32 11304 1 . THR 33 33 11304 1 . ALA 34 34 11304 1 . LYS 35 35 11304 1 . VAL 36 36 11304 1 . SER 37 37 11304 1 . PHE 38 38 11304 1 . ASN 39 39 11304 1 . LYS 40 40 11304 1 . PRO 41 41 11304 1 . ASP 42 42 11304 1 . SER 43 43 11304 1 . HIS 44 44 11304 1 . GLY 45 45 11304 1 . GLY 46 46 11304 1 . VAL 47 47 11304 1 . PRO 48 48 11304 1 . ILE 49 49 11304 1 . HIS 50 50 11304 1 . HIS 51 51 11304 1 . TYR 52 52 11304 1 . GLN 53 53 11304 1 . VAL 54 54 11304 1 . ASP 55 55 11304 1 . VAL 56 56 11304 1 . LYS 57 57 11304 1 . GLU 58 58 11304 1 . VAL 59 59 11304 1 . ALA 60 60 11304 1 . SER 61 61 11304 1 . GLU 62 62 11304 1 . ILE 63 63 11304 1 . TRP 64 64 11304 1 . LYS 65 65 11304 1 . ILE 66 66 11304 1 . VAL 67 67 11304 1 . ARG 68 68 11304 1 . SER 69 69 11304 1 . HIS 70 70 11304 1 . GLY 71 71 11304 1 . VAL 72 72 11304 1 . GLN 73 73 11304 1 . THR 74 74 11304 1 . MET 75 75 11304 1 . VAL 76 76 11304 1 . VAL 77 77 11304 1 . LEU 78 78 11304 1 . ASN 79 79 11304 1 . ASN 80 80 11304 1 . LEU 81 81 11304 1 . GLU 82 82 11304 1 . PRO 83 83 11304 1 . ASN 84 84 11304 1 . THR 85 85 11304 1 . THR 86 86 11304 1 . TYR 87 87 11304 1 . GLU 88 88 11304 1 . ILE 89 89 11304 1 . ARG 90 90 11304 1 . VAL 91 91 11304 1 . ALA 92 92 11304 1 . ALA 93 93 11304 1 . VAL 94 94 11304 1 . ASN 95 95 11304 1 . GLY 96 96 11304 1 . LYS 97 97 11304 1 . GLY 98 98 11304 1 . GLN 99 99 11304 1 . GLY 100 100 11304 1 . ASP 101 101 11304 1 . TYR 102 102 11304 1 . SER 103 103 11304 1 . LYS 104 104 11304 1 . ILE 105 105 11304 1 . GLU 106 106 11304 1 . ILE 107 107 11304 1 . PHE 108 108 11304 1 . GLN 109 109 11304 1 . THR 110 110 11304 1 . LEU 111 111 11304 1 . PRO 112 112 11304 1 . VAL 113 113 11304 1 . SER 114 114 11304 1 . GLY 115 115 11304 1 . PRO 116 116 11304 1 . SER 117 117 11304 1 . SER 118 118 11304 1 . GLY 119 119 11304 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 11304 _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 . . . . . . . . . . . . . . . . . . . . . 11304 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 11304 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050719-17 . . . . . . 11304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11304 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM Fibronectin type-III domain, U-15N, {13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fibronectin type-III domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11304 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11304 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11304 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11304 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11304 1 6 H2O . . . . . . solvent 90 . . % . . . . 11304 1 7 D2O . . . . . . solvent 10 . . % . . . . 11304 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 11304 _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 11304 1 pH 7.0 0.05 pH 11304 1 pressure 1 0.001 atm 11304 1 temperature 298 0.1 K 11304 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11304 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11304 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11304 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11304 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11304 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11304 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11304 _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.' . . 11304 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11304 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11304 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11304 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11304 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11304 _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.' . . 11304 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11304 5 'structure solution' 11304 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 11304 _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 11304 _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 . . . 11304 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 11304 _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 . . . . . . . . . . . . . . . . 11304 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11304 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 11304 _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 . . . . . . . . . 11304 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11304 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11304 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 11304 _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 11304 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11304 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 . . 11304 1 2 $NMRPipe . . 11304 1 3 $NMRVIEW . . 11304 1 4 $Kujira . . 11304 1 5 $CYANA . . 11304 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.526 0.030 . 1 . . . . 6 SER HA . 11304 1 2 . 1 1 6 6 SER HB2 H 1 3.927 0.030 . 1 . . . . 6 SER HB2 . 11304 1 3 . 1 1 6 6 SER HB3 H 1 3.927 0.030 . 1 . . . . 6 SER HB3 . 11304 1 4 . 1 1 6 6 SER C C 13 175.186 0.300 . 1 . . . . 6 SER C . 11304 1 5 . 1 1 6 6 SER CA C 13 58.753 0.300 . 1 . . . . 6 SER CA . 11304 1 6 . 1 1 6 6 SER CB C 13 63.979 0.300 . 1 . . . . 6 SER CB . 11304 1 7 . 1 1 7 7 GLY H H 1 8.512 0.030 . 1 . . . . 7 GLY H . 11304 1 8 . 1 1 7 7 GLY HA2 H 1 4.027 0.030 . 2 . . . . 7 GLY HA2 . 11304 1 9 . 1 1 7 7 GLY HA3 H 1 3.973 0.030 . 2 . . . . 7 GLY HA3 . 11304 1 10 . 1 1 7 7 GLY C C 13 174.517 0.300 . 1 . . . . 7 GLY C . 11304 1 11 . 1 1 7 7 GLY CA C 13 45.588 0.300 . 1 . . . . 7 GLY CA . 11304 1 12 . 1 1 7 7 GLY N N 15 110.921 0.300 . 1 . . . . 7 GLY N . 11304 1 13 . 1 1 8 8 GLN H H 1 8.246 0.030 . 1 . . . . 8 GLN H . 11304 1 14 . 1 1 8 8 GLN HA H 1 4.276 0.030 . 1 . . . . 8 GLN HA . 11304 1 15 . 1 1 8 8 GLN HB2 H 1 2.061 0.030 . 2 . . . . 8 GLN HB2 . 11304 1 16 . 1 1 8 8 GLN HB3 H 1 1.937 0.030 . 2 . . . . 8 GLN HB3 . 11304 1 17 . 1 1 8 8 GLN HE21 H 1 7.491 0.030 . 2 . . . . 8 GLN HE21 . 11304 1 18 . 1 1 8 8 GLN HE22 H 1 6.836 0.030 . 2 . . . . 8 GLN HE22 . 11304 1 19 . 1 1 8 8 GLN HG2 H 1 2.299 0.030 . 1 . . . . 8 GLN HG2 . 11304 1 20 . 1 1 8 8 GLN HG3 H 1 2.299 0.030 . 1 . . . . 8 GLN HG3 . 11304 1 21 . 1 1 8 8 GLN C C 13 176.227 0.300 . 1 . . . . 8 GLN C . 11304 1 22 . 1 1 8 8 GLN CA C 13 56.203 0.300 . 1 . . . . 8 GLN CA . 11304 1 23 . 1 1 8 8 GLN CB C 13 29.338 0.300 . 1 . . . . 8 GLN CB . 11304 1 24 . 1 1 8 8 GLN CG C 13 33.780 0.300 . 1 . . . . 8 GLN CG . 11304 1 25 . 1 1 8 8 GLN N N 15 119.847 0.300 . 1 . . . . 8 GLN N . 11304 1 26 . 1 1 8 8 GLN NE2 N 15 112.234 0.300 . 1 . . . . 8 GLN NE2 . 11304 1 27 . 1 1 9 9 GLU H H 1 8.643 0.030 . 1 . . . . 9 GLU H . 11304 1 28 . 1 1 9 9 GLU HA H 1 4.134 0.030 . 1 . . . . 9 GLU HA . 11304 1 29 . 1 1 9 9 GLU HB2 H 1 1.926 0.030 . 2 . . . . 9 GLU HB2 . 11304 1 30 . 1 1 9 9 GLU HB3 H 1 1.884 0.030 . 2 . . . . 9 GLU HB3 . 11304 1 31 . 1 1 9 9 GLU HG2 H 1 2.202 0.030 . 2 . . . . 9 GLU HG2 . 11304 1 32 . 1 1 9 9 GLU HG3 H 1 2.138 0.030 . 2 . . . . 9 GLU HG3 . 11304 1 33 . 1 1 9 9 GLU C C 13 176.711 0.300 . 1 . . . . 9 GLU C . 11304 1 34 . 1 1 9 9 GLU CA C 13 57.597 0.300 . 1 . . . . 9 GLU CA . 11304 1 35 . 1 1 9 9 GLU CB C 13 29.870 0.300 . 1 . . . . 9 GLU CB . 11304 1 36 . 1 1 9 9 GLU CG C 13 36.330 0.300 . 1 . . . . 9 GLU CG . 11304 1 37 . 1 1 9 9 GLU N N 15 121.514 0.300 . 1 . . . . 9 GLU N . 11304 1 38 . 1 1 10 10 TYR H H 1 8.075 0.030 . 1 . . . . 10 TYR H . 11304 1 39 . 1 1 10 10 TYR HA H 1 4.529 0.030 . 1 . . . . 10 TYR HA . 11304 1 40 . 1 1 10 10 TYR HB2 H 1 3.046 0.030 . 2 . . . . 10 TYR HB2 . 11304 1 41 . 1 1 10 10 TYR HB3 H 1 2.929 0.030 . 2 . . . . 10 TYR HB3 . 11304 1 42 . 1 1 10 10 TYR HD1 H 1 7.083 0.030 . 1 . . . . 10 TYR HD1 . 11304 1 43 . 1 1 10 10 TYR HD2 H 1 7.083 0.030 . 1 . . . . 10 TYR HD2 . 11304 1 44 . 1 1 10 10 TYR HE1 H 1 6.783 0.030 . 1 . . . . 10 TYR HE1 . 11304 1 45 . 1 1 10 10 TYR HE2 H 1 6.783 0.030 . 1 . . . . 10 TYR HE2 . 11304 1 46 . 1 1 10 10 TYR C C 13 175.830 0.300 . 1 . . . . 10 TYR C . 11304 1 47 . 1 1 10 10 TYR CA C 13 58.222 0.300 . 1 . . . . 10 TYR CA . 11304 1 48 . 1 1 10 10 TYR CB C 13 38.555 0.300 . 1 . . . . 10 TYR CB . 11304 1 49 . 1 1 10 10 TYR CD1 C 13 133.050 0.300 . 1 . . . . 10 TYR CD1 . 11304 1 50 . 1 1 10 10 TYR CD2 C 13 133.050 0.300 . 1 . . . . 10 TYR CD2 . 11304 1 51 . 1 1 10 10 TYR CE1 C 13 118.238 0.300 . 1 . . . . 10 TYR CE1 . 11304 1 52 . 1 1 10 10 TYR CE2 C 13 118.238 0.300 . 1 . . . . 10 TYR CE2 . 11304 1 53 . 1 1 10 10 TYR N N 15 120.735 0.300 . 1 . . . . 10 TYR N . 11304 1 54 . 1 1 11 11 ILE H H 1 7.831 0.030 . 1 . . . . 11 ILE H . 11304 1 55 . 1 1 11 11 ILE HA H 1 3.978 0.030 . 1 . . . . 11 ILE HA . 11304 1 56 . 1 1 11 11 ILE HB H 1 1.812 0.030 . 1 . . . . 11 ILE HB . 11304 1 57 . 1 1 11 11 ILE HD11 H 1 0.829 0.030 . 1 . . . . 11 ILE HD1 . 11304 1 58 . 1 1 11 11 ILE HD12 H 1 0.829 0.030 . 1 . . . . 11 ILE HD1 . 11304 1 59 . 1 1 11 11 ILE HD13 H 1 0.829 0.030 . 1 . . . . 11 ILE HD1 . 11304 1 60 . 1 1 11 11 ILE HG12 H 1 1.423 0.030 . 2 . . . . 11 ILE HG12 . 11304 1 61 . 1 1 11 11 ILE HG13 H 1 1.134 0.030 . 2 . . . . 11 ILE HG13 . 11304 1 62 . 1 1 11 11 ILE HG21 H 1 0.854 0.030 . 1 . . . . 11 ILE HG2 . 11304 1 63 . 1 1 11 11 ILE HG22 H 1 0.854 0.030 . 1 . . . . 11 ILE HG2 . 11304 1 64 . 1 1 11 11 ILE HG23 H 1 0.854 0.030 . 1 . . . . 11 ILE HG2 . 11304 1 65 . 1 1 11 11 ILE C C 13 176.794 0.300 . 1 . . . . 11 ILE C . 11304 1 66 . 1 1 11 11 ILE CA C 13 61.543 0.300 . 1 . . . . 11 ILE CA . 11304 1 67 . 1 1 11 11 ILE CB C 13 38.405 0.300 . 1 . . . . 11 ILE CB . 11304 1 68 . 1 1 11 11 ILE CD1 C 13 12.759 0.300 . 1 . . . . 11 ILE CD1 . 11304 1 69 . 1 1 11 11 ILE CG1 C 13 27.570 0.300 . 1 . . . . 11 ILE CG1 . 11304 1 70 . 1 1 11 11 ILE CG2 C 13 17.620 0.300 . 1 . . . . 11 ILE CG2 . 11304 1 71 . 1 1 11 11 ILE N N 15 121.910 0.300 . 1 . . . . 11 ILE N . 11304 1 72 . 1 1 12 12 LEU H H 1 8.105 0.030 . 1 . . . . 12 LEU H . 11304 1 73 . 1 1 12 12 LEU HA H 1 4.102 0.030 . 1 . . . . 12 LEU HA . 11304 1 74 . 1 1 12 12 LEU HB2 H 1 1.620 0.030 . 2 . . . . 12 LEU HB2 . 11304 1 75 . 1 1 12 12 LEU HB3 H 1 1.525 0.030 . 2 . . . . 12 LEU HB3 . 11304 1 76 . 1 1 12 12 LEU HD11 H 1 0.872 0.030 . 1 . . . . 12 LEU HD1 . 11304 1 77 . 1 1 12 12 LEU HD12 H 1 0.872 0.030 . 1 . . . . 12 LEU HD1 . 11304 1 78 . 1 1 12 12 LEU HD13 H 1 0.872 0.030 . 1 . . . . 12 LEU HD1 . 11304 1 79 . 1 1 12 12 LEU HD21 H 1 0.808 0.030 . 1 . . . . 12 LEU HD2 . 11304 1 80 . 1 1 12 12 LEU HD22 H 1 0.808 0.030 . 1 . . . . 12 LEU HD2 . 11304 1 81 . 1 1 12 12 LEU HD23 H 1 0.808 0.030 . 1 . . . . 12 LEU HD2 . 11304 1 82 . 1 1 12 12 LEU HG H 1 1.598 0.030 . 1 . . . . 12 LEU HG . 11304 1 83 . 1 1 12 12 LEU C C 13 177.714 0.300 . 1 . . . . 12 LEU C . 11304 1 84 . 1 1 12 12 LEU CA C 13 56.194 0.300 . 1 . . . . 12 LEU CA . 11304 1 85 . 1 1 12 12 LEU CB C 13 41.978 0.300 . 1 . . . . 12 LEU CB . 11304 1 86 . 1 1 12 12 LEU CD1 C 13 24.762 0.300 . 2 . . . . 12 LEU CD1 . 11304 1 87 . 1 1 12 12 LEU CD2 C 13 23.756 0.300 . 2 . . . . 12 LEU CD2 . 11304 1 88 . 1 1 12 12 LEU CG C 13 27.046 0.300 . 1 . . . . 12 LEU CG . 11304 1 89 . 1 1 12 12 LEU N N 15 124.948 0.300 . 1 . . . . 12 LEU N . 11304 1 90 . 1 1 13 13 ALA H H 1 8.056 0.030 . 1 . . . . 13 ALA H . 11304 1 91 . 1 1 13 13 ALA HA H 1 4.183 0.030 . 1 . . . . 13 ALA HA . 11304 1 92 . 1 1 13 13 ALA HB1 H 1 1.372 0.030 . 1 . . . . 13 ALA HB . 11304 1 93 . 1 1 13 13 ALA HB2 H 1 1.372 0.030 . 1 . . . . 13 ALA HB . 11304 1 94 . 1 1 13 13 ALA HB3 H 1 1.372 0.030 . 1 . . . . 13 ALA HB . 11304 1 95 . 1 1 13 13 ALA C C 13 178.031 0.300 . 1 . . . . 13 ALA C . 11304 1 96 . 1 1 13 13 ALA CA C 13 53.369 0.300 . 1 . . . . 13 ALA CA . 11304 1 97 . 1 1 13 13 ALA CB C 13 18.887 0.300 . 1 . . . . 13 ALA CB . 11304 1 98 . 1 1 13 13 ALA N N 15 122.876 0.300 . 1 . . . . 13 ALA N . 11304 1 99 . 1 1 14 14 LEU H H 1 7.717 0.030 . 1 . . . . 14 LEU H . 11304 1 100 . 1 1 14 14 LEU HA H 1 4.306 0.030 . 1 . . . . 14 LEU HA . 11304 1 101 . 1 1 14 14 LEU HB2 H 1 1.596 0.030 . 1 . . . . 14 LEU HB2 . 11304 1 102 . 1 1 14 14 LEU HB3 H 1 1.596 0.030 . 1 . . . . 14 LEU HB3 . 11304 1 103 . 1 1 14 14 LEU HD11 H 1 0.868 0.030 . 1 . . . . 14 LEU HD1 . 11304 1 104 . 1 1 14 14 LEU HD12 H 1 0.868 0.030 . 1 . . . . 14 LEU HD1 . 11304 1 105 . 1 1 14 14 LEU HD13 H 1 0.868 0.030 . 1 . . . . 14 LEU HD1 . 11304 1 106 . 1 1 14 14 LEU HD21 H 1 0.819 0.030 . 1 . . . . 14 LEU HD2 . 11304 1 107 . 1 1 14 14 LEU HD22 H 1 0.819 0.030 . 1 . . . . 14 LEU HD2 . 11304 1 108 . 1 1 14 14 LEU HD23 H 1 0.819 0.030 . 1 . . . . 14 LEU HD2 . 11304 1 109 . 1 1 14 14 LEU HG H 1 1.581 0.030 . 1 . . . . 14 LEU HG . 11304 1 110 . 1 1 14 14 LEU C C 13 176.830 0.300 . 1 . . . . 14 LEU C . 11304 1 111 . 1 1 14 14 LEU CA C 13 54.764 0.300 . 1 . . . . 14 LEU CA . 11304 1 112 . 1 1 14 14 LEU CB C 13 42.371 0.300 . 1 . . . . 14 LEU CB . 11304 1 113 . 1 1 14 14 LEU CD1 C 13 25.036 0.300 . 2 . . . . 14 LEU CD1 . 11304 1 114 . 1 1 14 14 LEU CD2 C 13 23.107 0.300 . 2 . . . . 14 LEU CD2 . 11304 1 115 . 1 1 14 14 LEU CG C 13 26.954 0.300 . 1 . . . . 14 LEU CG . 11304 1 116 . 1 1 14 14 LEU N N 15 118.970 0.300 . 1 . . . . 14 LEU N . 11304 1 117 . 1 1 15 15 ALA H H 1 7.727 0.030 . 1 . . . . 15 ALA H . 11304 1 118 . 1 1 15 15 ALA HA H 1 4.447 0.030 . 1 . . . . 15 ALA HA . 11304 1 119 . 1 1 15 15 ALA HB1 H 1 1.349 0.030 . 1 . . . . 15 ALA HB . 11304 1 120 . 1 1 15 15 ALA HB2 H 1 1.349 0.030 . 1 . . . . 15 ALA HB . 11304 1 121 . 1 1 15 15 ALA HB3 H 1 1.349 0.030 . 1 . . . . 15 ALA HB . 11304 1 122 . 1 1 15 15 ALA C C 13 175.878 0.300 . 1 . . . . 15 ALA C . 11304 1 123 . 1 1 15 15 ALA CA C 13 52.091 0.300 . 1 . . . . 15 ALA CA . 11304 1 124 . 1 1 15 15 ALA CB C 13 20.558 0.300 . 1 . . . . 15 ALA CB . 11304 1 125 . 1 1 15 15 ALA N N 15 123.397 0.300 . 1 . . . . 15 ALA N . 11304 1 126 . 1 1 16 16 ASP H H 1 8.642 0.030 . 1 . . . . 16 ASP H . 11304 1 127 . 1 1 16 16 ASP HA H 1 4.824 0.030 . 1 . . . . 16 ASP HA . 11304 1 128 . 1 1 16 16 ASP HB2 H 1 2.774 0.030 . 2 . . . . 16 ASP HB2 . 11304 1 129 . 1 1 16 16 ASP HB3 H 1 2.544 0.030 . 2 . . . . 16 ASP HB3 . 11304 1 130 . 1 1 16 16 ASP C C 13 175.939 0.300 . 1 . . . . 16 ASP C . 11304 1 131 . 1 1 16 16 ASP CA C 13 52.877 0.300 . 1 . . . . 16 ASP CA . 11304 1 132 . 1 1 16 16 ASP CB C 13 43.545 0.300 . 1 . . . . 16 ASP CB . 11304 1 133 . 1 1 16 16 ASP N N 15 120.120 0.300 . 1 . . . . 16 ASP N . 11304 1 134 . 1 1 17 17 VAL H H 1 8.062 0.030 . 1 . . . . 17 VAL H . 11304 1 135 . 1 1 17 17 VAL HA H 1 4.437 0.030 . 1 . . . . 17 VAL HA . 11304 1 136 . 1 1 17 17 VAL HB H 1 1.772 0.030 . 1 . . . . 17 VAL HB . 11304 1 137 . 1 1 17 17 VAL HG11 H 1 0.630 0.030 . 1 . . . . 17 VAL HG1 . 11304 1 138 . 1 1 17 17 VAL HG12 H 1 0.630 0.030 . 1 . . . . 17 VAL HG1 . 11304 1 139 . 1 1 17 17 VAL HG13 H 1 0.630 0.030 . 1 . . . . 17 VAL HG1 . 11304 1 140 . 1 1 17 17 VAL HG21 H 1 0.812 0.030 . 1 . . . . 17 VAL HG2 . 11304 1 141 . 1 1 17 17 VAL HG22 H 1 0.812 0.030 . 1 . . . . 17 VAL HG2 . 11304 1 142 . 1 1 17 17 VAL HG23 H 1 0.812 0.030 . 1 . . . . 17 VAL HG2 . 11304 1 143 . 1 1 17 17 VAL C C 13 172.998 0.300 . 1 . . . . 17 VAL C . 11304 1 144 . 1 1 17 17 VAL CA C 13 59.770 0.300 . 1 . . . . 17 VAL CA . 11304 1 145 . 1 1 17 17 VAL CB C 13 30.172 0.300 . 1 . . . . 17 VAL CB . 11304 1 146 . 1 1 17 17 VAL CG1 C 13 21.463 0.300 . 2 . . . . 17 VAL CG1 . 11304 1 147 . 1 1 17 17 VAL CG2 C 13 17.880 0.300 . 2 . . . . 17 VAL CG2 . 11304 1 148 . 1 1 17 17 VAL N N 15 112.134 0.300 . 1 . . . . 17 VAL N . 11304 1 149 . 1 1 18 18 PRO HA H 1 4.256 0.030 . 1 . . . . 18 PRO HA . 11304 1 150 . 1 1 18 18 PRO HB2 H 1 2.375 0.030 . 2 . . . . 18 PRO HB2 . 11304 1 151 . 1 1 18 18 PRO HB3 H 1 2.041 0.030 . 2 . . . . 18 PRO HB3 . 11304 1 152 . 1 1 18 18 PRO HD2 H 1 3.631 0.030 . 2 . . . . 18 PRO HD2 . 11304 1 153 . 1 1 18 18 PRO HD3 H 1 3.118 0.030 . 2 . . . . 18 PRO HD3 . 11304 1 154 . 1 1 18 18 PRO HG2 H 1 1.745 0.030 . 2 . . . . 18 PRO HG2 . 11304 1 155 . 1 1 18 18 PRO HG3 H 1 1.480 0.030 . 2 . . . . 18 PRO HG3 . 11304 1 156 . 1 1 18 18 PRO CA C 13 62.405 0.300 . 1 . . . . 18 PRO CA . 11304 1 157 . 1 1 18 18 PRO CB C 13 33.416 0.300 . 1 . . . . 18 PRO CB . 11304 1 158 . 1 1 18 18 PRO CD C 13 50.321 0.300 . 1 . . . . 18 PRO CD . 11304 1 159 . 1 1 18 18 PRO CG C 13 28.351 0.300 . 1 . . . . 18 PRO CG . 11304 1 160 . 1 1 19 19 SER H H 1 8.295 0.030 . 1 . . . . 19 SER H . 11304 1 161 . 1 1 19 19 SER HA H 1 4.640 0.030 . 1 . . . . 19 SER HA . 11304 1 162 . 1 1 19 19 SER HB2 H 1 4.510 0.030 . 2 . . . . 19 SER HB2 . 11304 1 163 . 1 1 19 19 SER HB3 H 1 3.991 0.030 . 2 . . . . 19 SER HB3 . 11304 1 164 . 1 1 19 19 SER CA C 13 58.353 0.300 . 1 . . . . 19 SER CA . 11304 1 165 . 1 1 19 19 SER CB C 13 63.817 0.300 . 1 . . . . 19 SER CB . 11304 1 166 . 1 1 19 19 SER N N 15 113.871 0.300 . 1 . . . . 19 SER N . 11304 1 167 . 1 1 20 20 SER H H 1 8.617 0.030 . 1 . . . . 20 SER H . 11304 1 168 . 1 1 20 20 SER HA H 1 4.776 0.030 . 1 . . . . 20 SER HA . 11304 1 169 . 1 1 20 20 SER HB2 H 1 3.766 0.030 . 2 . . . . 20 SER HB2 . 11304 1 170 . 1 1 20 20 SER HB3 H 1 3.713 0.030 . 2 . . . . 20 SER HB3 . 11304 1 171 . 1 1 20 20 SER CA C 13 57.305 0.300 . 1 . . . . 20 SER CA . 11304 1 172 . 1 1 20 20 SER CB C 13 63.586 0.300 . 1 . . . . 20 SER CB . 11304 1 173 . 1 1 20 20 SER N N 15 114.326 0.300 . 1 . . . . 20 SER N . 11304 1 174 . 1 1 21 21 PRO HA H 1 4.527 0.030 . 1 . . . . 21 PRO HA . 11304 1 175 . 1 1 21 21 PRO HB2 H 1 2.441 0.030 . 2 . . . . 21 PRO HB2 . 11304 1 176 . 1 1 21 21 PRO HB3 H 1 1.317 0.030 . 2 . . . . 21 PRO HB3 . 11304 1 177 . 1 1 21 21 PRO HD2 H 1 3.720 0.030 . 1 . . . . 21 PRO HD2 . 11304 1 178 . 1 1 21 21 PRO HD3 H 1 3.720 0.030 . 1 . . . . 21 PRO HD3 . 11304 1 179 . 1 1 21 21 PRO HG2 H 1 1.640 0.030 . 2 . . . . 21 PRO HG2 . 11304 1 180 . 1 1 21 21 PRO HG3 H 1 1.591 0.030 . 2 . . . . 21 PRO HG3 . 11304 1 181 . 1 1 21 21 PRO CA C 13 62.844 0.300 . 1 . . . . 21 PRO CA . 11304 1 182 . 1 1 21 21 PRO CB C 13 32.112 0.300 . 1 . . . . 21 PRO CB . 11304 1 183 . 1 1 21 21 PRO CD C 13 50.844 0.300 . 1 . . . . 21 PRO CD . 11304 1 184 . 1 1 21 21 PRO CG C 13 28.602 0.300 . 1 . . . . 21 PRO CG . 11304 1 185 . 1 1 22 22 TYR H H 1 7.213 0.030 . 1 . . . . 22 TYR H . 11304 1 186 . 1 1 22 22 TYR HA H 1 5.144 0.030 . 1 . . . . 22 TYR HA . 11304 1 187 . 1 1 22 22 TYR HB2 H 1 3.177 0.030 . 2 . . . . 22 TYR HB2 . 11304 1 188 . 1 1 22 22 TYR HB3 H 1 3.093 0.030 . 2 . . . . 22 TYR HB3 . 11304 1 189 . 1 1 22 22 TYR HD1 H 1 7.105 0.030 . 1 . . . . 22 TYR HD1 . 11304 1 190 . 1 1 22 22 TYR HD2 H 1 7.105 0.030 . 1 . . . . 22 TYR HD2 . 11304 1 191 . 1 1 22 22 TYR HE1 H 1 6.852 0.030 . 1 . . . . 22 TYR HE1 . 11304 1 192 . 1 1 22 22 TYR HE2 H 1 6.852 0.030 . 1 . . . . 22 TYR HE2 . 11304 1 193 . 1 1 22 22 TYR CA C 13 55.775 0.300 . 1 . . . . 22 TYR CA . 11304 1 194 . 1 1 22 22 TYR CB C 13 39.082 0.300 . 1 . . . . 22 TYR CB . 11304 1 195 . 1 1 22 22 TYR CD1 C 13 133.826 0.300 . 1 . . . . 22 TYR CD1 . 11304 1 196 . 1 1 22 22 TYR CD2 C 13 133.826 0.300 . 1 . . . . 22 TYR CD2 . 11304 1 197 . 1 1 22 22 TYR CE1 C 13 119.004 0.300 . 1 . . . . 22 TYR CE1 . 11304 1 198 . 1 1 22 22 TYR CE2 C 13 119.004 0.300 . 1 . . . . 22 TYR CE2 . 11304 1 199 . 1 1 22 22 TYR N N 15 113.521 0.300 . 1 . . . . 22 TYR N . 11304 1 200 . 1 1 23 23 GLY H H 1 9.108 0.030 . 1 . . . . 23 GLY H . 11304 1 201 . 1 1 23 23 GLY HA2 H 1 3.952 0.030 . 2 . . . . 23 GLY HA2 . 11304 1 202 . 1 1 23 23 GLY HA3 H 1 3.794 0.030 . 2 . . . . 23 GLY HA3 . 11304 1 203 . 1 1 23 23 GLY C C 13 174.851 0.300 . 1 . . . . 23 GLY C . 11304 1 204 . 1 1 23 23 GLY CA C 13 47.236 0.300 . 1 . . . . 23 GLY CA . 11304 1 205 . 1 1 23 23 GLY N N 15 110.361 0.300 . 1 . . . . 23 GLY N . 11304 1 206 . 1 1 24 24 VAL H H 1 7.741 0.030 . 1 . . . . 24 VAL H . 11304 1 207 . 1 1 24 24 VAL HA H 1 4.279 0.030 . 1 . . . . 24 VAL HA . 11304 1 208 . 1 1 24 24 VAL HB H 1 2.169 0.030 . 1 . . . . 24 VAL HB . 11304 1 209 . 1 1 24 24 VAL HG11 H 1 0.885 0.030 . 1 . . . . 24 VAL HG1 . 11304 1 210 . 1 1 24 24 VAL HG12 H 1 0.885 0.030 . 1 . . . . 24 VAL HG1 . 11304 1 211 . 1 1 24 24 VAL HG13 H 1 0.885 0.030 . 1 . . . . 24 VAL HG1 . 11304 1 212 . 1 1 24 24 VAL HG21 H 1 0.734 0.030 . 1 . . . . 24 VAL HG2 . 11304 1 213 . 1 1 24 24 VAL HG22 H 1 0.734 0.030 . 1 . . . . 24 VAL HG2 . 11304 1 214 . 1 1 24 24 VAL HG23 H 1 0.734 0.030 . 1 . . . . 24 VAL HG2 . 11304 1 215 . 1 1 24 24 VAL C C 13 176.260 0.300 . 1 . . . . 24 VAL C . 11304 1 216 . 1 1 24 24 VAL CA C 13 63.549 0.300 . 1 . . . . 24 VAL CA . 11304 1 217 . 1 1 24 24 VAL CB C 13 31.117 0.300 . 1 . . . . 24 VAL CB . 11304 1 218 . 1 1 24 24 VAL CG1 C 13 21.053 0.300 . 2 . . . . 24 VAL CG1 . 11304 1 219 . 1 1 24 24 VAL CG2 C 13 21.457 0.300 . 2 . . . . 24 VAL CG2 . 11304 1 220 . 1 1 24 24 VAL N N 15 119.135 0.300 . 1 . . . . 24 VAL N . 11304 1 221 . 1 1 25 25 LYS H H 1 9.260 0.030 . 1 . . . . 25 LYS H . 11304 1 222 . 1 1 25 25 LYS HA H 1 4.578 0.030 . 1 . . . . 25 LYS HA . 11304 1 223 . 1 1 25 25 LYS HB2 H 1 1.654 0.030 . 2 . . . . 25 LYS HB2 . 11304 1 224 . 1 1 25 25 LYS HB3 H 1 1.564 0.030 . 2 . . . . 25 LYS HB3 . 11304 1 225 . 1 1 25 25 LYS HD2 H 1 1.581 0.030 . 1 . . . . 25 LYS HD2 . 11304 1 226 . 1 1 25 25 LYS HD3 H 1 1.581 0.030 . 1 . . . . 25 LYS HD3 . 11304 1 227 . 1 1 25 25 LYS HE2 H 1 2.883 0.030 . 1 . . . . 25 LYS HE2 . 11304 1 228 . 1 1 25 25 LYS HE3 H 1 2.883 0.030 . 1 . . . . 25 LYS HE3 . 11304 1 229 . 1 1 25 25 LYS HG2 H 1 1.285 0.030 . 1 . . . . 25 LYS HG2 . 11304 1 230 . 1 1 25 25 LYS HG3 H 1 1.285 0.030 . 1 . . . . 25 LYS HG3 . 11304 1 231 . 1 1 25 25 LYS C C 13 173.857 0.300 . 1 . . . . 25 LYS C . 11304 1 232 . 1 1 25 25 LYS CA C 13 54.886 0.300 . 1 . . . . 25 LYS CA . 11304 1 233 . 1 1 25 25 LYS CB C 13 36.256 0.300 . 1 . . . . 25 LYS CB . 11304 1 234 . 1 1 25 25 LYS CD C 13 29.104 0.300 . 1 . . . . 25 LYS CD . 11304 1 235 . 1 1 25 25 LYS CE C 13 42.093 0.300 . 1 . . . . 25 LYS CE . 11304 1 236 . 1 1 25 25 LYS CG C 13 24.130 0.300 . 1 . . . . 25 LYS CG . 11304 1 237 . 1 1 25 25 LYS N N 15 127.695 0.300 . 1 . . . . 25 LYS N . 11304 1 238 . 1 1 26 26 ILE H H 1 8.710 0.030 . 1 . . . . 26 ILE H . 11304 1 239 . 1 1 26 26 ILE HA H 1 4.609 0.030 . 1 . . . . 26 ILE HA . 11304 1 240 . 1 1 26 26 ILE HB H 1 1.902 0.030 . 1 . . . . 26 ILE HB . 11304 1 241 . 1 1 26 26 ILE HD11 H 1 0.388 0.030 . 1 . . . . 26 ILE HD1 . 11304 1 242 . 1 1 26 26 ILE HD12 H 1 0.388 0.030 . 1 . . . . 26 ILE HD1 . 11304 1 243 . 1 1 26 26 ILE HD13 H 1 0.388 0.030 . 1 . . . . 26 ILE HD1 . 11304 1 244 . 1 1 26 26 ILE HG12 H 1 1.184 0.030 . 2 . . . . 26 ILE HG12 . 11304 1 245 . 1 1 26 26 ILE HG13 H 1 0.903 0.030 . 2 . . . . 26 ILE HG13 . 11304 1 246 . 1 1 26 26 ILE HG21 H 1 0.419 0.030 . 1 . . . . 26 ILE HG2 . 11304 1 247 . 1 1 26 26 ILE HG22 H 1 0.419 0.030 . 1 . . . . 26 ILE HG2 . 11304 1 248 . 1 1 26 26 ILE HG23 H 1 0.419 0.030 . 1 . . . . 26 ILE HG2 . 11304 1 249 . 1 1 26 26 ILE C C 13 176.717 0.300 . 1 . . . . 26 ILE C . 11304 1 250 . 1 1 26 26 ILE CA C 13 59.494 0.300 . 1 . . . . 26 ILE CA . 11304 1 251 . 1 1 26 26 ILE CB C 13 35.750 0.300 . 1 . . . . 26 ILE CB . 11304 1 252 . 1 1 26 26 ILE CD1 C 13 12.144 0.300 . 1 . . . . 26 ILE CD1 . 11304 1 253 . 1 1 26 26 ILE CG1 C 13 28.085 0.300 . 1 . . . . 26 ILE CG1 . 11304 1 254 . 1 1 26 26 ILE CG2 C 13 19.648 0.300 . 1 . . . . 26 ILE CG2 . 11304 1 255 . 1 1 26 26 ILE N N 15 124.041 0.300 . 1 . . . . 26 ILE N . 11304 1 256 . 1 1 27 27 ILE H H 1 8.651 0.030 . 1 . . . . 27 ILE H . 11304 1 257 . 1 1 27 27 ILE HA H 1 4.435 0.030 . 1 . . . . 27 ILE HA . 11304 1 258 . 1 1 27 27 ILE HB H 1 1.962 0.030 . 1 . . . . 27 ILE HB . 11304 1 259 . 1 1 27 27 ILE HD11 H 1 0.769 0.030 . 1 . . . . 27 ILE HD1 . 11304 1 260 . 1 1 27 27 ILE HD12 H 1 0.769 0.030 . 1 . . . . 27 ILE HD1 . 11304 1 261 . 1 1 27 27 ILE HD13 H 1 0.769 0.030 . 1 . . . . 27 ILE HD1 . 11304 1 262 . 1 1 27 27 ILE HG12 H 1 1.165 0.030 . 2 . . . . 27 ILE HG12 . 11304 1 263 . 1 1 27 27 ILE HG13 H 1 0.884 0.030 . 2 . . . . 27 ILE HG13 . 11304 1 264 . 1 1 27 27 ILE HG21 H 1 0.839 0.030 . 1 . . . . 27 ILE HG2 . 11304 1 265 . 1 1 27 27 ILE HG22 H 1 0.839 0.030 . 1 . . . . 27 ILE HG2 . 11304 1 266 . 1 1 27 27 ILE HG23 H 1 0.839 0.030 . 1 . . . . 27 ILE HG2 . 11304 1 267 . 1 1 27 27 ILE C C 13 175.267 0.300 . 1 . . . . 27 ILE C . 11304 1 268 . 1 1 27 27 ILE CA C 13 61.048 0.300 . 1 . . . . 27 ILE CA . 11304 1 269 . 1 1 27 27 ILE CB C 13 39.943 0.300 . 1 . . . . 27 ILE CB . 11304 1 270 . 1 1 27 27 ILE CD1 C 13 13.425 0.300 . 1 . . . . 27 ILE CD1 . 11304 1 271 . 1 1 27 27 ILE CG1 C 13 26.311 0.300 . 1 . . . . 27 ILE CG1 . 11304 1 272 . 1 1 27 27 ILE CG2 C 13 18.377 0.300 . 1 . . . . 27 ILE CG2 . 11304 1 273 . 1 1 27 27 ILE N N 15 122.151 0.300 . 1 . . . . 27 ILE N . 11304 1 274 . 1 1 28 28 GLU H H 1 7.762 0.030 . 1 . . . . 28 GLU H . 11304 1 275 . 1 1 28 28 GLU HA H 1 4.242 0.030 . 1 . . . . 28 GLU HA . 11304 1 276 . 1 1 28 28 GLU HB2 H 1 1.906 0.030 . 2 . . . . 28 GLU HB2 . 11304 1 277 . 1 1 28 28 GLU HB3 H 1 1.818 0.030 . 2 . . . . 28 GLU HB3 . 11304 1 278 . 1 1 28 28 GLU HG2 H 1 2.202 0.030 . 2 . . . . 28 GLU HG2 . 11304 1 279 . 1 1 28 28 GLU HG3 H 1 2.129 0.030 . 2 . . . . 28 GLU HG3 . 11304 1 280 . 1 1 28 28 GLU C C 13 174.366 0.300 . 1 . . . . 28 GLU C . 11304 1 281 . 1 1 28 28 GLU CA C 13 56.418 0.300 . 1 . . . . 28 GLU CA . 11304 1 282 . 1 1 28 28 GLU CB C 13 31.786 0.300 . 1 . . . . 28 GLU CB . 11304 1 283 . 1 1 28 28 GLU CG C 13 36.737 0.300 . 1 . . . . 28 GLU CG . 11304 1 284 . 1 1 28 28 GLU N N 15 118.671 0.300 . 1 . . . . 28 GLU N . 11304 1 285 . 1 1 29 29 LEU H H 1 8.318 0.030 . 1 . . . . 29 LEU H . 11304 1 286 . 1 1 29 29 LEU HA H 1 4.667 0.030 . 1 . . . . 29 LEU HA . 11304 1 287 . 1 1 29 29 LEU HB2 H 1 1.681 0.030 . 2 . . . . 29 LEU HB2 . 11304 1 288 . 1 1 29 29 LEU HB3 H 1 1.450 0.030 . 2 . . . . 29 LEU HB3 . 11304 1 289 . 1 1 29 29 LEU HD11 H 1 1.041 0.030 . 1 . . . . 29 LEU HD1 . 11304 1 290 . 1 1 29 29 LEU HD12 H 1 1.041 0.030 . 1 . . . . 29 LEU HD1 . 11304 1 291 . 1 1 29 29 LEU HD13 H 1 1.041 0.030 . 1 . . . . 29 LEU HD1 . 11304 1 292 . 1 1 29 29 LEU HD21 H 1 1.087 0.030 . 1 . . . . 29 LEU HD2 . 11304 1 293 . 1 1 29 29 LEU HD22 H 1 1.087 0.030 . 1 . . . . 29 LEU HD2 . 11304 1 294 . 1 1 29 29 LEU HD23 H 1 1.087 0.030 . 1 . . . . 29 LEU HD2 . 11304 1 295 . 1 1 29 29 LEU HG H 1 1.627 0.030 . 1 . . . . 29 LEU HG . 11304 1 296 . 1 1 29 29 LEU C C 13 175.657 0.300 . 1 . . . . 29 LEU C . 11304 1 297 . 1 1 29 29 LEU CA C 13 55.394 0.300 . 1 . . . . 29 LEU CA . 11304 1 298 . 1 1 29 29 LEU CB C 13 45.833 0.300 . 1 . . . . 29 LEU CB . 11304 1 299 . 1 1 29 29 LEU CD1 C 13 25.891 0.300 . 2 . . . . 29 LEU CD1 . 11304 1 300 . 1 1 29 29 LEU CD2 C 13 25.010 0.300 . 2 . . . . 29 LEU CD2 . 11304 1 301 . 1 1 29 29 LEU CG C 13 27.164 0.300 . 1 . . . . 29 LEU CG . 11304 1 302 . 1 1 29 29 LEU N N 15 123.658 0.300 . 1 . . . . 29 LEU N . 11304 1 303 . 1 1 30 30 SER H H 1 8.700 0.030 . 1 . . . . 30 SER H . 11304 1 304 . 1 1 30 30 SER HA H 1 4.817 0.030 . 1 . . . . 30 SER HA . 11304 1 305 . 1 1 30 30 SER HB2 H 1 4.173 0.030 . 2 . . . . 30 SER HB2 . 11304 1 306 . 1 1 30 30 SER HB3 H 1 3.931 0.030 . 2 . . . . 30 SER HB3 . 11304 1 307 . 1 1 30 30 SER C C 13 173.683 0.300 . 1 . . . . 30 SER C . 11304 1 308 . 1 1 30 30 SER CA C 13 56.807 0.300 . 1 . . . . 30 SER CA . 11304 1 309 . 1 1 30 30 SER CB C 13 65.136 0.300 . 1 . . . . 30 SER CB . 11304 1 310 . 1 1 30 30 SER N N 15 121.790 0.300 . 1 . . . . 30 SER N . 11304 1 311 . 1 1 31 31 GLN H H 1 8.391 0.030 . 1 . . . . 31 GLN H . 11304 1 312 . 1 1 31 31 GLN HA H 1 4.654 0.030 . 1 . . . . 31 GLN HA . 11304 1 313 . 1 1 31 31 GLN HB2 H 1 2.364 0.030 . 2 . . . . 31 GLN HB2 . 11304 1 314 . 1 1 31 31 GLN HB3 H 1 1.887 0.030 . 2 . . . . 31 GLN HB3 . 11304 1 315 . 1 1 31 31 GLN HE21 H 1 7.406 0.030 . 2 . . . . 31 GLN HE21 . 11304 1 316 . 1 1 31 31 GLN HE22 H 1 7.084 0.030 . 2 . . . . 31 GLN HE22 . 11304 1 317 . 1 1 31 31 GLN HG2 H 1 2.533 0.030 . 2 . . . . 31 GLN HG2 . 11304 1 318 . 1 1 31 31 GLN HG3 H 1 2.355 0.030 . 2 . . . . 31 GLN HG3 . 11304 1 319 . 1 1 31 31 GLN C C 13 175.766 0.300 . 1 . . . . 31 GLN C . 11304 1 320 . 1 1 31 31 GLN CA C 13 60.157 0.300 . 1 . . . . 31 GLN CA . 11304 1 321 . 1 1 31 31 GLN CB C 13 29.142 0.300 . 1 . . . . 31 GLN CB . 11304 1 322 . 1 1 31 31 GLN CG C 13 34.971 0.300 . 1 . . . . 31 GLN CG . 11304 1 323 . 1 1 31 31 GLN N N 15 120.097 0.300 . 1 . . . . 31 GLN N . 11304 1 324 . 1 1 31 31 GLN NE2 N 15 111.919 0.300 . 1 . . . . 31 GLN NE2 . 11304 1 325 . 1 1 32 32 THR H H 1 7.428 0.030 . 1 . . . . 32 THR H . 11304 1 326 . 1 1 32 32 THR HA H 1 4.638 0.030 . 1 . . . . 32 THR HA . 11304 1 327 . 1 1 32 32 THR HB H 1 4.591 0.030 . 1 . . . . 32 THR HB . 11304 1 328 . 1 1 32 32 THR HG21 H 1 1.128 0.030 . 1 . . . . 32 THR HG2 . 11304 1 329 . 1 1 32 32 THR HG22 H 1 1.128 0.030 . 1 . . . . 32 THR HG2 . 11304 1 330 . 1 1 32 32 THR HG23 H 1 1.128 0.030 . 1 . . . . 32 THR HG2 . 11304 1 331 . 1 1 32 32 THR C C 13 174.396 0.300 . 1 . . . . 32 THR C . 11304 1 332 . 1 1 32 32 THR CA C 13 60.138 0.300 . 1 . . . . 32 THR CA . 11304 1 333 . 1 1 32 32 THR CB C 13 71.592 0.300 . 1 . . . . 32 THR CB . 11304 1 334 . 1 1 32 32 THR CG2 C 13 21.164 0.300 . 1 . . . . 32 THR CG2 . 11304 1 335 . 1 1 32 32 THR N N 15 97.846 0.300 . 1 . . . . 32 THR N . 11304 1 336 . 1 1 33 33 THR H H 1 7.268 0.030 . 1 . . . . 33 THR H . 11304 1 337 . 1 1 33 33 THR HA H 1 5.367 0.030 . 1 . . . . 33 THR HA . 11304 1 338 . 1 1 33 33 THR HB H 1 4.081 0.030 . 1 . . . . 33 THR HB . 11304 1 339 . 1 1 33 33 THR HG21 H 1 1.145 0.030 . 1 . . . . 33 THR HG2 . 11304 1 340 . 1 1 33 33 THR HG22 H 1 1.145 0.030 . 1 . . . . 33 THR HG2 . 11304 1 341 . 1 1 33 33 THR HG23 H 1 1.145 0.030 . 1 . . . . 33 THR HG2 . 11304 1 342 . 1 1 33 33 THR C C 13 171.846 0.300 . 1 . . . . 33 THR C . 11304 1 343 . 1 1 33 33 THR CA C 13 59.066 0.300 . 1 . . . . 33 THR CA . 11304 1 344 . 1 1 33 33 THR CB C 13 73.456 0.300 . 1 . . . . 33 THR CB . 11304 1 345 . 1 1 33 33 THR CG2 C 13 21.658 0.300 . 1 . . . . 33 THR CG2 . 11304 1 346 . 1 1 33 33 THR N N 15 112.024 0.300 . 1 . . . . 33 THR N . 11304 1 347 . 1 1 34 34 ALA H H 1 8.316 0.030 . 1 . . . . 34 ALA H . 11304 1 348 . 1 1 34 34 ALA HA H 1 4.644 0.030 . 1 . . . . 34 ALA HA . 11304 1 349 . 1 1 34 34 ALA HB1 H 1 0.810 0.030 . 1 . . . . 34 ALA HB . 11304 1 350 . 1 1 34 34 ALA HB2 H 1 0.810 0.030 . 1 . . . . 34 ALA HB . 11304 1 351 . 1 1 34 34 ALA HB3 H 1 0.810 0.030 . 1 . . . . 34 ALA HB . 11304 1 352 . 1 1 34 34 ALA C C 13 174.739 0.300 . 1 . . . . 34 ALA C . 11304 1 353 . 1 1 34 34 ALA CA C 13 51.565 0.300 . 1 . . . . 34 ALA CA . 11304 1 354 . 1 1 34 34 ALA CB C 13 23.221 0.300 . 1 . . . . 34 ALA CB . 11304 1 355 . 1 1 34 34 ALA N N 15 119.959 0.300 . 1 . . . . 34 ALA N . 11304 1 356 . 1 1 35 35 LYS H H 1 8.434 0.030 . 1 . . . . 35 LYS H . 11304 1 357 . 1 1 35 35 LYS HA H 1 4.932 0.030 . 1 . . . . 35 LYS HA . 11304 1 358 . 1 1 35 35 LYS HB2 H 1 1.614 0.030 . 2 . . . . 35 LYS HB2 . 11304 1 359 . 1 1 35 35 LYS HB3 H 1 1.589 0.030 . 2 . . . . 35 LYS HB3 . 11304 1 360 . 1 1 35 35 LYS HD2 H 1 1.648 0.030 . 2 . . . . 35 LYS HD2 . 11304 1 361 . 1 1 35 35 LYS HD3 H 1 1.331 0.030 . 2 . . . . 35 LYS HD3 . 11304 1 362 . 1 1 35 35 LYS HE2 H 1 2.774 0.030 . 1 . . . . 35 LYS HE2 . 11304 1 363 . 1 1 35 35 LYS HE3 H 1 2.774 0.030 . 1 . . . . 35 LYS HE3 . 11304 1 364 . 1 1 35 35 LYS HG2 H 1 1.165 0.030 . 2 . . . . 35 LYS HG2 . 11304 1 365 . 1 1 35 35 LYS HG3 H 1 1.094 0.030 . 2 . . . . 35 LYS HG3 . 11304 1 366 . 1 1 35 35 LYS C C 13 173.952 0.300 . 1 . . . . 35 LYS C . 11304 1 367 . 1 1 35 35 LYS CA C 13 55.523 0.300 . 1 . . . . 35 LYS CA . 11304 1 368 . 1 1 35 35 LYS CB C 13 34.987 0.300 . 1 . . . . 35 LYS CB . 11304 1 369 . 1 1 35 35 LYS CD C 13 29.538 0.300 . 1 . . . . 35 LYS CD . 11304 1 370 . 1 1 35 35 LYS CE C 13 41.846 0.300 . 1 . . . . 35 LYS CE . 11304 1 371 . 1 1 35 35 LYS CG C 13 25.448 0.300 . 1 . . . . 35 LYS CG . 11304 1 372 . 1 1 35 35 LYS N N 15 121.346 0.300 . 1 . . . . 35 LYS N . 11304 1 373 . 1 1 36 36 VAL H H 1 8.957 0.030 . 1 . . . . 36 VAL H . 11304 1 374 . 1 1 36 36 VAL HA H 1 4.794 0.030 . 1 . . . . 36 VAL HA . 11304 1 375 . 1 1 36 36 VAL HB H 1 1.916 0.030 . 1 . . . . 36 VAL HB . 11304 1 376 . 1 1 36 36 VAL HG11 H 1 0.729 0.030 . 1 . . . . 36 VAL HG1 . 11304 1 377 . 1 1 36 36 VAL HG12 H 1 0.729 0.030 . 1 . . . . 36 VAL HG1 . 11304 1 378 . 1 1 36 36 VAL HG13 H 1 0.729 0.030 . 1 . . . . 36 VAL HG1 . 11304 1 379 . 1 1 36 36 VAL HG21 H 1 0.868 0.030 . 1 . . . . 36 VAL HG2 . 11304 1 380 . 1 1 36 36 VAL HG22 H 1 0.868 0.030 . 1 . . . . 36 VAL HG2 . 11304 1 381 . 1 1 36 36 VAL HG23 H 1 0.868 0.030 . 1 . . . . 36 VAL HG2 . 11304 1 382 . 1 1 36 36 VAL C C 13 173.887 0.300 . 1 . . . . 36 VAL C . 11304 1 383 . 1 1 36 36 VAL CA C 13 60.045 0.300 . 1 . . . . 36 VAL CA . 11304 1 384 . 1 1 36 36 VAL CB C 13 34.308 0.300 . 1 . . . . 36 VAL CB . 11304 1 385 . 1 1 36 36 VAL CG1 C 13 21.317 0.300 . 2 . . . . 36 VAL CG1 . 11304 1 386 . 1 1 36 36 VAL CG2 C 13 21.284 0.300 . 2 . . . . 36 VAL CG2 . 11304 1 387 . 1 1 36 36 VAL N N 15 125.925 0.300 . 1 . . . . 36 VAL N . 11304 1 388 . 1 1 37 37 SER H H 1 9.094 0.030 . 1 . . . . 37 SER H . 11304 1 389 . 1 1 37 37 SER HA H 1 5.165 0.030 . 1 . . . . 37 SER HA . 11304 1 390 . 1 1 37 37 SER HB2 H 1 3.645 0.030 . 2 . . . . 37 SER HB2 . 11304 1 391 . 1 1 37 37 SER HB3 H 1 3.475 0.030 . 2 . . . . 37 SER HB3 . 11304 1 392 . 1 1 37 37 SER C C 13 172.684 0.300 . 1 . . . . 37 SER C . 11304 1 393 . 1 1 37 37 SER CA C 13 55.661 0.300 . 1 . . . . 37 SER CA . 11304 1 394 . 1 1 37 37 SER CB C 13 66.403 0.300 . 1 . . . . 37 SER CB . 11304 1 395 . 1 1 37 37 SER N N 15 120.501 0.300 . 1 . . . . 37 SER N . 11304 1 396 . 1 1 38 38 PHE H H 1 7.075 0.030 . 1 . . . . 38 PHE H . 11304 1 397 . 1 1 38 38 PHE HA H 1 4.734 0.030 . 1 . . . . 38 PHE HA . 11304 1 398 . 1 1 38 38 PHE HB2 H 1 3.041 0.030 . 2 . . . . 38 PHE HB2 . 11304 1 399 . 1 1 38 38 PHE HB3 H 1 2.722 0.030 . 2 . . . . 38 PHE HB3 . 11304 1 400 . 1 1 38 38 PHE HD1 H 1 6.433 0.030 . 1 . . . . 38 PHE HD1 . 11304 1 401 . 1 1 38 38 PHE HD2 H 1 6.433 0.030 . 1 . . . . 38 PHE HD2 . 11304 1 402 . 1 1 38 38 PHE HE1 H 1 6.364 0.030 . 1 . . . . 38 PHE HE1 . 11304 1 403 . 1 1 38 38 PHE HE2 H 1 6.364 0.030 . 1 . . . . 38 PHE HE2 . 11304 1 404 . 1 1 38 38 PHE HZ H 1 5.806 0.030 . 1 . . . . 38 PHE HZ . 11304 1 405 . 1 1 38 38 PHE C C 13 172.799 0.300 . 1 . . . . 38 PHE C . 11304 1 406 . 1 1 38 38 PHE CA C 13 55.484 0.300 . 1 . . . . 38 PHE CA . 11304 1 407 . 1 1 38 38 PHE CB C 13 39.576 0.300 . 1 . . . . 38 PHE CB . 11304 1 408 . 1 1 38 38 PHE CD1 C 13 131.790 0.300 . 1 . . . . 38 PHE CD1 . 11304 1 409 . 1 1 38 38 PHE CD2 C 13 131.790 0.300 . 1 . . . . 38 PHE CD2 . 11304 1 410 . 1 1 38 38 PHE CE1 C 13 129.179 0.300 . 1 . . . . 38 PHE CE1 . 11304 1 411 . 1 1 38 38 PHE CE2 C 13 129.179 0.300 . 1 . . . . 38 PHE CE2 . 11304 1 412 . 1 1 38 38 PHE N N 15 116.980 0.300 . 1 . . . . 38 PHE N . 11304 1 413 . 1 1 39 39 ASN H H 1 8.709 0.030 . 1 . . . . 39 ASN H . 11304 1 414 . 1 1 39 39 ASN HA H 1 4.730 0.030 . 1 . . . . 39 ASN HA . 11304 1 415 . 1 1 39 39 ASN HB2 H 1 2.024 0.030 . 2 . . . . 39 ASN HB2 . 11304 1 416 . 1 1 39 39 ASN HB3 H 1 1.270 0.030 . 2 . . . . 39 ASN HB3 . 11304 1 417 . 1 1 39 39 ASN HD21 H 1 6.926 0.030 . 2 . . . . 39 ASN HD21 . 11304 1 418 . 1 1 39 39 ASN HD22 H 1 6.444 0.030 . 2 . . . . 39 ASN HD22 . 11304 1 419 . 1 1 39 39 ASN C C 13 174.426 0.300 . 1 . . . . 39 ASN C . 11304 1 420 . 1 1 39 39 ASN CA C 13 51.970 0.300 . 1 . . . . 39 ASN CA . 11304 1 421 . 1 1 39 39 ASN CB C 13 39.535 0.300 . 1 . . . . 39 ASN CB . 11304 1 422 . 1 1 39 39 ASN N N 15 115.925 0.300 . 1 . . . . 39 ASN N . 11304 1 423 . 1 1 39 39 ASN ND2 N 15 113.422 0.300 . 1 . . . . 39 ASN ND2 . 11304 1 424 . 1 1 40 40 LYS H H 1 8.251 0.030 . 1 . . . . 40 LYS H . 11304 1 425 . 1 1 40 40 LYS HA H 1 4.498 0.030 . 1 . . . . 40 LYS HA . 11304 1 426 . 1 1 40 40 LYS HB2 H 1 1.882 0.030 . 2 . . . . 40 LYS HB2 . 11304 1 427 . 1 1 40 40 LYS HB3 H 1 1.714 0.030 . 2 . . . . 40 LYS HB3 . 11304 1 428 . 1 1 40 40 LYS HD2 H 1 1.734 0.030 . 1 . . . . 40 LYS HD2 . 11304 1 429 . 1 1 40 40 LYS HD3 H 1 1.734 0.030 . 1 . . . . 40 LYS HD3 . 11304 1 430 . 1 1 40 40 LYS HE2 H 1 3.057 0.030 . 1 . . . . 40 LYS HE2 . 11304 1 431 . 1 1 40 40 LYS HE3 H 1 3.057 0.030 . 1 . . . . 40 LYS HE3 . 11304 1 432 . 1 1 40 40 LYS HG2 H 1 1.569 0.030 . 2 . . . . 40 LYS HG2 . 11304 1 433 . 1 1 40 40 LYS HG3 H 1 1.451 0.030 . 2 . . . . 40 LYS HG3 . 11304 1 434 . 1 1 40 40 LYS C C 13 173.176 0.300 . 1 . . . . 40 LYS C . 11304 1 435 . 1 1 40 40 LYS CA C 13 54.111 0.300 . 1 . . . . 40 LYS CA . 11304 1 436 . 1 1 40 40 LYS CB C 13 32.244 0.300 . 1 . . . . 40 LYS CB . 11304 1 437 . 1 1 40 40 LYS CD C 13 29.557 0.300 . 1 . . . . 40 LYS CD . 11304 1 438 . 1 1 40 40 LYS CE C 13 42.131 0.300 . 1 . . . . 40 LYS CE . 11304 1 439 . 1 1 40 40 LYS CG C 13 23.049 0.300 . 1 . . . . 40 LYS CG . 11304 1 440 . 1 1 40 40 LYS N N 15 121.002 0.300 . 1 . . . . 40 LYS N . 11304 1 441 . 1 1 41 41 PRO HA H 1 4.253 0.030 . 1 . . . . 41 PRO HA . 11304 1 442 . 1 1 41 41 PRO HB2 H 1 2.211 0.030 . 2 . . . . 41 PRO HB2 . 11304 1 443 . 1 1 41 41 PRO HB3 H 1 1.740 0.030 . 2 . . . . 41 PRO HB3 . 11304 1 444 . 1 1 41 41 PRO HD2 H 1 3.859 0.030 . 1 . . . . 41 PRO HD2 . 11304 1 445 . 1 1 41 41 PRO HD3 H 1 3.859 0.030 . 1 . . . . 41 PRO HD3 . 11304 1 446 . 1 1 41 41 PRO HG2 H 1 1.878 0.030 . 2 . . . . 41 PRO HG2 . 11304 1 447 . 1 1 41 41 PRO HG3 H 1 1.758 0.030 . 2 . . . . 41 PRO HG3 . 11304 1 448 . 1 1 41 41 PRO C C 13 176.481 0.300 . 1 . . . . 41 PRO C . 11304 1 449 . 1 1 41 41 PRO CA C 13 62.315 0.300 . 1 . . . . 41 PRO CA . 11304 1 450 . 1 1 41 41 PRO CB C 13 33.452 0.300 . 1 . . . . 41 PRO CB . 11304 1 451 . 1 1 41 41 PRO CD C 13 50.983 0.300 . 1 . . . . 41 PRO CD . 11304 1 452 . 1 1 41 41 PRO CG C 13 28.354 0.300 . 1 . . . . 41 PRO CG . 11304 1 453 . 1 1 42 42 ASP H H 1 8.729 0.030 . 1 . . . . 42 ASP H . 11304 1 454 . 1 1 42 42 ASP HA H 1 4.504 0.030 . 1 . . . . 42 ASP HA . 11304 1 455 . 1 1 42 42 ASP HB2 H 1 2.718 0.030 . 2 . . . . 42 ASP HB2 . 11304 1 456 . 1 1 42 42 ASP HB3 H 1 2.480 0.030 . 2 . . . . 42 ASP HB3 . 11304 1 457 . 1 1 42 42 ASP C C 13 176.470 0.300 . 1 . . . . 42 ASP C . 11304 1 458 . 1 1 42 42 ASP CA C 13 56.423 0.300 . 1 . . . . 42 ASP CA . 11304 1 459 . 1 1 42 42 ASP CB C 13 40.870 0.300 . 1 . . . . 42 ASP CB . 11304 1 460 . 1 1 42 42 ASP N N 15 120.380 0.300 . 1 . . . . 42 ASP N . 11304 1 461 . 1 1 43 43 SER H H 1 7.868 0.030 . 1 . . . . 43 SER H . 11304 1 462 . 1 1 43 43 SER HA H 1 4.766 0.030 . 1 . . . . 43 SER HA . 11304 1 463 . 1 1 43 43 SER HB2 H 1 3.714 0.030 . 1 . . . . 43 SER HB2 . 11304 1 464 . 1 1 43 43 SER HB3 H 1 3.714 0.030 . 1 . . . . 43 SER HB3 . 11304 1 465 . 1 1 43 43 SER C C 13 174.404 0.300 . 1 . . . . 43 SER C . 11304 1 466 . 1 1 43 43 SER CA C 13 56.137 0.300 . 1 . . . . 43 SER CA . 11304 1 467 . 1 1 43 43 SER CB C 13 64.531 0.300 . 1 . . . . 43 SER CB . 11304 1 468 . 1 1 43 43 SER N N 15 111.810 0.300 . 1 . . . . 43 SER N . 11304 1 469 . 1 1 44 44 HIS HA H 1 4.531 0.030 . 1 . . . . 44 HIS HA . 11304 1 470 . 1 1 44 44 HIS HB2 H 1 3.576 0.030 . 2 . . . . 44 HIS HB2 . 11304 1 471 . 1 1 44 44 HIS HB3 H 1 3.072 0.030 . 2 . . . . 44 HIS HB3 . 11304 1 472 . 1 1 44 44 HIS HD2 H 1 6.874 0.030 . 1 . . . . 44 HIS HD2 . 11304 1 473 . 1 1 44 44 HIS HE1 H 1 7.686 0.030 . 1 . . . . 44 HIS HE1 . 11304 1 474 . 1 1 44 44 HIS CA C 13 55.644 0.300 . 1 . . . . 44 HIS CA . 11304 1 475 . 1 1 44 44 HIS CB C 13 30.132 0.300 . 1 . . . . 44 HIS CB . 11304 1 476 . 1 1 44 44 HIS CD2 C 13 119.539 0.300 . 1 . . . . 44 HIS CD2 . 11304 1 477 . 1 1 44 44 HIS CE1 C 13 138.607 0.300 . 1 . . . . 44 HIS CE1 . 11304 1 478 . 1 1 45 45 GLY H H 1 7.909 0.030 . 1 . . . . 45 GLY H . 11304 1 479 . 1 1 45 45 GLY HA2 H 1 3.938 0.030 . 2 . . . . 45 GLY HA2 . 11304 1 480 . 1 1 45 45 GLY HA3 H 1 3.456 0.030 . 2 . . . . 45 GLY HA3 . 11304 1 481 . 1 1 45 45 GLY CA C 13 45.461 0.300 . 1 . . . . 45 GLY CA . 11304 1 482 . 1 1 45 45 GLY N N 15 105.784 0.300 . 1 . . . . 45 GLY N . 11304 1 483 . 1 1 46 46 GLY H H 1 9.177 0.030 . 1 . . . . 46 GLY H . 11304 1 484 . 1 1 46 46 GLY HA2 H 1 4.352 0.030 . 2 . . . . 46 GLY HA2 . 11304 1 485 . 1 1 46 46 GLY HA3 H 1 3.678 0.030 . 2 . . . . 46 GLY HA3 . 11304 1 486 . 1 1 46 46 GLY CA C 13 45.254 0.300 . 1 . . . . 46 GLY CA . 11304 1 487 . 1 1 46 46 GLY N N 15 109.176 0.300 . 1 . . . . 46 GLY N . 11304 1 488 . 1 1 47 47 VAL H H 1 7.250 0.030 . 1 . . . . 47 VAL H . 11304 1 489 . 1 1 47 47 VAL HA H 1 4.538 0.030 . 1 . . . . 47 VAL HA . 11304 1 490 . 1 1 47 47 VAL HB H 1 2.168 0.030 . 1 . . . . 47 VAL HB . 11304 1 491 . 1 1 47 47 VAL HG11 H 1 0.875 0.030 . 1 . . . . 47 VAL HG1 . 11304 1 492 . 1 1 47 47 VAL HG12 H 1 0.875 0.030 . 1 . . . . 47 VAL HG1 . 11304 1 493 . 1 1 47 47 VAL HG13 H 1 0.875 0.030 . 1 . . . . 47 VAL HG1 . 11304 1 494 . 1 1 47 47 VAL HG21 H 1 0.702 0.030 . 1 . . . . 47 VAL HG2 . 11304 1 495 . 1 1 47 47 VAL HG22 H 1 0.702 0.030 . 1 . . . . 47 VAL HG2 . 11304 1 496 . 1 1 47 47 VAL HG23 H 1 0.702 0.030 . 1 . . . . 47 VAL HG2 . 11304 1 497 . 1 1 47 47 VAL CA C 13 58.478 0.300 . 1 . . . . 47 VAL CA . 11304 1 498 . 1 1 47 47 VAL CB C 13 33.301 0.300 . 1 . . . . 47 VAL CB . 11304 1 499 . 1 1 47 47 VAL CG1 C 13 22.662 0.300 . 2 . . . . 47 VAL CG1 . 11304 1 500 . 1 1 47 47 VAL CG2 C 13 19.478 0.300 . 2 . . . . 47 VAL CG2 . 11304 1 501 . 1 1 47 47 VAL N N 15 115.267 0.300 . 1 . . . . 47 VAL N . 11304 1 502 . 1 1 48 48 PRO HA H 1 4.108 0.030 . 1 . . . . 48 PRO HA . 11304 1 503 . 1 1 48 48 PRO HB2 H 1 2.203 0.030 . 2 . . . . 48 PRO HB2 . 11304 1 504 . 1 1 48 48 PRO HB3 H 1 1.716 0.030 . 2 . . . . 48 PRO HB3 . 11304 1 505 . 1 1 48 48 PRO HD2 H 1 3.593 0.030 . 2 . . . . 48 PRO HD2 . 11304 1 506 . 1 1 48 48 PRO HD3 H 1 3.497 0.030 . 2 . . . . 48 PRO HD3 . 11304 1 507 . 1 1 48 48 PRO HG2 H 1 1.978 0.030 . 2 . . . . 48 PRO HG2 . 11304 1 508 . 1 1 48 48 PRO HG3 H 1 1.829 0.030 . 2 . . . . 48 PRO HG3 . 11304 1 509 . 1 1 48 48 PRO C C 13 177.702 0.300 . 1 . . . . 48 PRO C . 11304 1 510 . 1 1 48 48 PRO CA C 13 63.326 0.300 . 1 . . . . 48 PRO CA . 11304 1 511 . 1 1 48 48 PRO CB C 13 32.408 0.300 . 1 . . . . 48 PRO CB . 11304 1 512 . 1 1 48 48 PRO CD C 13 50.569 0.300 . 1 . . . . 48 PRO CD . 11304 1 513 . 1 1 48 48 PRO CG C 13 27.724 0.300 . 1 . . . . 48 PRO CG . 11304 1 514 . 1 1 49 49 ILE H H 1 8.405 0.030 . 1 . . . . 49 ILE H . 11304 1 515 . 1 1 49 49 ILE HA H 1 3.381 0.030 . 1 . . . . 49 ILE HA . 11304 1 516 . 1 1 49 49 ILE HB H 1 1.546 0.030 . 1 . . . . 49 ILE HB . 11304 1 517 . 1 1 49 49 ILE HD11 H 1 0.846 0.030 . 1 . . . . 49 ILE HD1 . 11304 1 518 . 1 1 49 49 ILE HD12 H 1 0.846 0.030 . 1 . . . . 49 ILE HD1 . 11304 1 519 . 1 1 49 49 ILE HD13 H 1 0.846 0.030 . 1 . . . . 49 ILE HD1 . 11304 1 520 . 1 1 49 49 ILE HG12 H 1 1.840 0.030 . 2 . . . . 49 ILE HG12 . 11304 1 521 . 1 1 49 49 ILE HG13 H 1 0.760 0.030 . 2 . . . . 49 ILE HG13 . 11304 1 522 . 1 1 49 49 ILE HG21 H 1 0.354 0.030 . 1 . . . . 49 ILE HG2 . 11304 1 523 . 1 1 49 49 ILE HG22 H 1 0.354 0.030 . 1 . . . . 49 ILE HG2 . 11304 1 524 . 1 1 49 49 ILE HG23 H 1 0.354 0.030 . 1 . . . . 49 ILE HG2 . 11304 1 525 . 1 1 49 49 ILE C C 13 175.059 0.300 . 1 . . . . 49 ILE C . 11304 1 526 . 1 1 49 49 ILE CA C 13 63.430 0.300 . 1 . . . . 49 ILE CA . 11304 1 527 . 1 1 49 49 ILE CB C 13 38.846 0.300 . 1 . . . . 49 ILE CB . 11304 1 528 . 1 1 49 49 ILE CD1 C 13 13.518 0.300 . 1 . . . . 49 ILE CD1 . 11304 1 529 . 1 1 49 49 ILE CG1 C 13 30.096 0.300 . 1 . . . . 49 ILE CG1 . 11304 1 530 . 1 1 49 49 ILE CG2 C 13 16.973 0.300 . 1 . . . . 49 ILE CG2 . 11304 1 531 . 1 1 49 49 ILE N N 15 121.881 0.300 . 1 . . . . 49 ILE N . 11304 1 532 . 1 1 50 50 HIS H H 1 9.363 0.030 . 1 . . . . 50 HIS H . 11304 1 533 . 1 1 50 50 HIS HA H 1 4.467 0.030 . 1 . . . . 50 HIS HA . 11304 1 534 . 1 1 50 50 HIS HB2 H 1 3.012 0.030 . 2 . . . . 50 HIS HB2 . 11304 1 535 . 1 1 50 50 HIS HB3 H 1 2.902 0.030 . 2 . . . . 50 HIS HB3 . 11304 1 536 . 1 1 50 50 HIS HD2 H 1 7.041 0.030 . 1 . . . . 50 HIS HD2 . 11304 1 537 . 1 1 50 50 HIS C C 13 174.373 0.300 . 1 . . . . 50 HIS C . 11304 1 538 . 1 1 50 50 HIS CA C 13 57.990 0.300 . 1 . . . . 50 HIS CA . 11304 1 539 . 1 1 50 50 HIS CB C 13 32.269 0.300 . 1 . . . . 50 HIS CB . 11304 1 540 . 1 1 50 50 HIS CD2 C 13 119.278 0.300 . 1 . . . . 50 HIS CD2 . 11304 1 541 . 1 1 50 50 HIS N N 15 126.398 0.300 . 1 . . . . 50 HIS N . 11304 1 542 . 1 1 51 51 HIS H H 1 7.419 0.030 . 1 . . . . 51 HIS H . 11304 1 543 . 1 1 51 51 HIS HA H 1 4.491 0.030 . 1 . . . . 51 HIS HA . 11304 1 544 . 1 1 51 51 HIS HB2 H 1 3.387 0.030 . 2 . . . . 51 HIS HB2 . 11304 1 545 . 1 1 51 51 HIS HB3 H 1 3.249 0.030 . 2 . . . . 51 HIS HB3 . 11304 1 546 . 1 1 51 51 HIS HD2 H 1 6.745 0.030 . 1 . . . . 51 HIS HD2 . 11304 1 547 . 1 1 51 51 HIS HE1 H 1 7.876 0.030 . 1 . . . . 51 HIS HE1 . 11304 1 548 . 1 1 51 51 HIS C C 13 170.839 0.300 . 1 . . . . 51 HIS C . 11304 1 549 . 1 1 51 51 HIS CA C 13 55.905 0.300 . 1 . . . . 51 HIS CA . 11304 1 550 . 1 1 51 51 HIS CB C 13 30.025 0.300 . 1 . . . . 51 HIS CB . 11304 1 551 . 1 1 51 51 HIS CD2 C 13 119.778 0.300 . 1 . . . . 51 HIS CD2 . 11304 1 552 . 1 1 51 51 HIS CE1 C 13 137.657 0.300 . 1 . . . . 51 HIS CE1 . 11304 1 553 . 1 1 51 51 HIS N N 15 110.914 0.300 . 1 . . . . 51 HIS N . 11304 1 554 . 1 1 52 52 TYR H H 1 8.986 0.030 . 1 . . . . 52 TYR H . 11304 1 555 . 1 1 52 52 TYR HA H 1 5.095 0.030 . 1 . . . . 52 TYR HA . 11304 1 556 . 1 1 52 52 TYR HB2 H 1 2.662 0.030 . 2 . . . . 52 TYR HB2 . 11304 1 557 . 1 1 52 52 TYR HB3 H 1 2.597 0.030 . 2 . . . . 52 TYR HB3 . 11304 1 558 . 1 1 52 52 TYR HD1 H 1 6.951 0.030 . 1 . . . . 52 TYR HD1 . 11304 1 559 . 1 1 52 52 TYR HD2 H 1 6.951 0.030 . 1 . . . . 52 TYR HD2 . 11304 1 560 . 1 1 52 52 TYR HE1 H 1 6.561 0.030 . 1 . . . . 52 TYR HE1 . 11304 1 561 . 1 1 52 52 TYR HE2 H 1 6.561 0.030 . 1 . . . . 52 TYR HE2 . 11304 1 562 . 1 1 52 52 TYR C C 13 174.512 0.300 . 1 . . . . 52 TYR C . 11304 1 563 . 1 1 52 52 TYR CA C 13 56.960 0.300 . 1 . . . . 52 TYR CA . 11304 1 564 . 1 1 52 52 TYR CB C 13 41.364 0.300 . 1 . . . . 52 TYR CB . 11304 1 565 . 1 1 52 52 TYR CD1 C 13 133.709 0.300 . 1 . . . . 52 TYR CD1 . 11304 1 566 . 1 1 52 52 TYR CD2 C 13 133.709 0.300 . 1 . . . . 52 TYR CD2 . 11304 1 567 . 1 1 52 52 TYR CE1 C 13 117.224 0.300 . 1 . . . . 52 TYR CE1 . 11304 1 568 . 1 1 52 52 TYR CE2 C 13 117.224 0.300 . 1 . . . . 52 TYR CE2 . 11304 1 569 . 1 1 52 52 TYR N N 15 115.517 0.300 . 1 . . . . 52 TYR N . 11304 1 570 . 1 1 53 53 GLN H H 1 9.574 0.030 . 1 . . . . 53 GLN H . 11304 1 571 . 1 1 53 53 GLN HA H 1 5.023 0.030 . 1 . . . . 53 GLN HA . 11304 1 572 . 1 1 53 53 GLN HB2 H 1 1.841 0.030 . 2 . . . . 53 GLN HB2 . 11304 1 573 . 1 1 53 53 GLN HB3 H 1 1.808 0.030 . 2 . . . . 53 GLN HB3 . 11304 1 574 . 1 1 53 53 GLN HE21 H 1 9.317 0.030 . 2 . . . . 53 GLN HE21 . 11304 1 575 . 1 1 53 53 GLN HE22 H 1 6.704 0.030 . 2 . . . . 53 GLN HE22 . 11304 1 576 . 1 1 53 53 GLN HG2 H 1 2.390 0.030 . 2 . . . . 53 GLN HG2 . 11304 1 577 . 1 1 53 53 GLN HG3 H 1 2.101 0.030 . 2 . . . . 53 GLN HG3 . 11304 1 578 . 1 1 53 53 GLN C C 13 173.164 0.300 . 1 . . . . 53 GLN C . 11304 1 579 . 1 1 53 53 GLN CA C 13 54.935 0.300 . 1 . . . . 53 GLN CA . 11304 1 580 . 1 1 53 53 GLN CB C 13 32.670 0.300 . 1 . . . . 53 GLN CB . 11304 1 581 . 1 1 53 53 GLN CG C 13 35.172 0.300 . 1 . . . . 53 GLN CG . 11304 1 582 . 1 1 53 53 GLN N N 15 123.436 0.300 . 1 . . . . 53 GLN N . 11304 1 583 . 1 1 53 53 GLN NE2 N 15 116.096 0.300 . 1 . . . . 53 GLN NE2 . 11304 1 584 . 1 1 54 54 VAL H H 1 9.381 0.030 . 1 . . . . 54 VAL H . 11304 1 585 . 1 1 54 54 VAL HA H 1 4.625 0.030 . 1 . . . . 54 VAL HA . 11304 1 586 . 1 1 54 54 VAL HB H 1 2.109 0.030 . 1 . . . . 54 VAL HB . 11304 1 587 . 1 1 54 54 VAL HG11 H 1 0.866 0.030 . 1 . . . . 54 VAL HG1 . 11304 1 588 . 1 1 54 54 VAL HG12 H 1 0.866 0.030 . 1 . . . . 54 VAL HG1 . 11304 1 589 . 1 1 54 54 VAL HG13 H 1 0.866 0.030 . 1 . . . . 54 VAL HG1 . 11304 1 590 . 1 1 54 54 VAL HG21 H 1 0.818 0.030 . 1 . . . . 54 VAL HG2 . 11304 1 591 . 1 1 54 54 VAL HG22 H 1 0.818 0.030 . 1 . . . . 54 VAL HG2 . 11304 1 592 . 1 1 54 54 VAL HG23 H 1 0.818 0.030 . 1 . . . . 54 VAL HG2 . 11304 1 593 . 1 1 54 54 VAL C C 13 173.045 0.300 . 1 . . . . 54 VAL C . 11304 1 594 . 1 1 54 54 VAL CA C 13 61.166 0.300 . 1 . . . . 54 VAL CA . 11304 1 595 . 1 1 54 54 VAL CB C 13 33.079 0.300 . 1 . . . . 54 VAL CB . 11304 1 596 . 1 1 54 54 VAL CG1 C 13 21.935 0.300 . 2 . . . . 54 VAL CG1 . 11304 1 597 . 1 1 54 54 VAL CG2 C 13 21.702 0.300 . 2 . . . . 54 VAL CG2 . 11304 1 598 . 1 1 54 54 VAL N N 15 127.040 0.300 . 1 . . . . 54 VAL N . 11304 1 599 . 1 1 55 55 ASP H H 1 8.918 0.030 . 1 . . . . 55 ASP H . 11304 1 600 . 1 1 55 55 ASP HA H 1 5.839 0.030 . 1 . . . . 55 ASP HA . 11304 1 601 . 1 1 55 55 ASP HB2 H 1 2.432 0.030 . 2 . . . . 55 ASP HB2 . 11304 1 602 . 1 1 55 55 ASP HB3 H 1 2.045 0.030 . 2 . . . . 55 ASP HB3 . 11304 1 603 . 1 1 55 55 ASP C C 13 175.308 0.300 . 1 . . . . 55 ASP C . 11304 1 604 . 1 1 55 55 ASP CA C 13 51.731 0.300 . 1 . . . . 55 ASP CA . 11304 1 605 . 1 1 55 55 ASP CB C 13 41.364 0.300 . 1 . . . . 55 ASP CB . 11304 1 606 . 1 1 55 55 ASP N N 15 128.821 0.300 . 1 . . . . 55 ASP N . 11304 1 607 . 1 1 56 56 VAL H H 1 9.628 0.030 . 1 . . . . 56 VAL H . 11304 1 608 . 1 1 56 56 VAL HA H 1 5.869 0.030 . 1 . . . . 56 VAL HA . 11304 1 609 . 1 1 56 56 VAL HB H 1 1.977 0.030 . 1 . . . . 56 VAL HB . 11304 1 610 . 1 1 56 56 VAL HG11 H 1 0.947 0.030 . 1 . . . . 56 VAL HG1 . 11304 1 611 . 1 1 56 56 VAL HG12 H 1 0.947 0.030 . 1 . . . . 56 VAL HG1 . 11304 1 612 . 1 1 56 56 VAL HG13 H 1 0.947 0.030 . 1 . . . . 56 VAL HG1 . 11304 1 613 . 1 1 56 56 VAL HG21 H 1 0.961 0.030 . 1 . . . . 56 VAL HG2 . 11304 1 614 . 1 1 56 56 VAL HG22 H 1 0.961 0.030 . 1 . . . . 56 VAL HG2 . 11304 1 615 . 1 1 56 56 VAL HG23 H 1 0.961 0.030 . 1 . . . . 56 VAL HG2 . 11304 1 616 . 1 1 56 56 VAL C C 13 174.666 0.300 . 1 . . . . 56 VAL C . 11304 1 617 . 1 1 56 56 VAL CA C 13 59.006 0.300 . 1 . . . . 56 VAL CA . 11304 1 618 . 1 1 56 56 VAL CB C 13 35.983 0.300 . 1 . . . . 56 VAL CB . 11304 1 619 . 1 1 56 56 VAL CG1 C 13 19.672 0.300 . 2 . . . . 56 VAL CG1 . 11304 1 620 . 1 1 56 56 VAL CG2 C 13 21.970 0.300 . 2 . . . . 56 VAL CG2 . 11304 1 621 . 1 1 56 56 VAL N N 15 121.085 0.300 . 1 . . . . 56 VAL N . 11304 1 622 . 1 1 57 57 LYS H H 1 9.019 0.030 . 1 . . . . 57 LYS H . 11304 1 623 . 1 1 57 57 LYS HA H 1 4.771 0.030 . 1 . . . . 57 LYS HA . 11304 1 624 . 1 1 57 57 LYS HB2 H 1 1.316 0.030 . 2 . . . . 57 LYS HB2 . 11304 1 625 . 1 1 57 57 LYS HB3 H 1 1.037 0.030 . 2 . . . . 57 LYS HB3 . 11304 1 626 . 1 1 57 57 LYS HD2 H 1 0.293 0.030 . 2 . . . . 57 LYS HD2 . 11304 1 627 . 1 1 57 57 LYS HD3 H 1 -0.911 0.030 . 2 . . . . 57 LYS HD3 . 11304 1 628 . 1 1 57 57 LYS HE2 H 1 2.170 0.030 . 2 . . . . 57 LYS HE2 . 11304 1 629 . 1 1 57 57 LYS HE3 H 1 1.562 0.030 . 2 . . . . 57 LYS HE3 . 11304 1 630 . 1 1 57 57 LYS HG2 H 1 0.506 0.030 . 2 . . . . 57 LYS HG2 . 11304 1 631 . 1 1 57 57 LYS HG3 H 1 -0.051 0.030 . 2 . . . . 57 LYS HG3 . 11304 1 632 . 1 1 57 57 LYS C C 13 174.659 0.300 . 1 . . . . 57 LYS C . 11304 1 633 . 1 1 57 57 LYS CA C 13 55.424 0.300 . 1 . . . . 57 LYS CA . 11304 1 634 . 1 1 57 57 LYS CB C 13 37.017 0.300 . 1 . . . . 57 LYS CB . 11304 1 635 . 1 1 57 57 LYS CD C 13 27.965 0.300 . 1 . . . . 57 LYS CD . 11304 1 636 . 1 1 57 57 LYS CE C 13 40.846 0.300 . 1 . . . . 57 LYS CE . 11304 1 637 . 1 1 57 57 LYS CG C 13 20.675 0.300 . 1 . . . . 57 LYS CG . 11304 1 638 . 1 1 57 57 LYS N N 15 124.915 0.300 . 1 . . . . 57 LYS N . 11304 1 639 . 1 1 58 58 GLU H H 1 9.023 0.030 . 1 . . . . 58 GLU H . 11304 1 640 . 1 1 58 58 GLU HA H 1 4.024 0.030 . 1 . . . . 58 GLU HA . 11304 1 641 . 1 1 58 58 GLU HB2 H 1 1.844 0.030 . 2 . . . . 58 GLU HB2 . 11304 1 642 . 1 1 58 58 GLU HB3 H 1 1.643 0.030 . 2 . . . . 58 GLU HB3 . 11304 1 643 . 1 1 58 58 GLU HG2 H 1 2.065 0.030 . 2 . . . . 58 GLU HG2 . 11304 1 644 . 1 1 58 58 GLU HG3 H 1 1.976 0.030 . 2 . . . . 58 GLU HG3 . 11304 1 645 . 1 1 58 58 GLU C C 13 178.871 0.300 . 1 . . . . 58 GLU C . 11304 1 646 . 1 1 58 58 GLU CA C 13 56.938 0.300 . 1 . . . . 58 GLU CA . 11304 1 647 . 1 1 58 58 GLU CB C 13 28.841 0.300 . 1 . . . . 58 GLU CB . 11304 1 648 . 1 1 58 58 GLU CG C 13 36.767 0.300 . 1 . . . . 58 GLU CG . 11304 1 649 . 1 1 58 58 GLU N N 15 124.584 0.300 . 1 . . . . 58 GLU N . 11304 1 650 . 1 1 59 59 VAL H H 1 7.855 0.030 . 1 . . . . 59 VAL H . 11304 1 651 . 1 1 59 59 VAL HA H 1 3.658 0.030 . 1 . . . . 59 VAL HA . 11304 1 652 . 1 1 59 59 VAL HB H 1 1.741 0.030 . 1 . . . . 59 VAL HB . 11304 1 653 . 1 1 59 59 VAL HG11 H 1 0.778 0.030 . 1 . . . . 59 VAL HG1 . 11304 1 654 . 1 1 59 59 VAL HG12 H 1 0.778 0.030 . 1 . . . . 59 VAL HG1 . 11304 1 655 . 1 1 59 59 VAL HG13 H 1 0.778 0.030 . 1 . . . . 59 VAL HG1 . 11304 1 656 . 1 1 59 59 VAL HG21 H 1 0.776 0.030 . 1 . . . . 59 VAL HG2 . 11304 1 657 . 1 1 59 59 VAL HG22 H 1 0.776 0.030 . 1 . . . . 59 VAL HG2 . 11304 1 658 . 1 1 59 59 VAL HG23 H 1 0.776 0.030 . 1 . . . . 59 VAL HG2 . 11304 1 659 . 1 1 59 59 VAL C C 13 176.786 0.300 . 1 . . . . 59 VAL C . 11304 1 660 . 1 1 59 59 VAL CA C 13 65.576 0.300 . 1 . . . . 59 VAL CA . 11304 1 661 . 1 1 59 59 VAL CB C 13 31.639 0.300 . 1 . . . . 59 VAL CB . 11304 1 662 . 1 1 59 59 VAL CG1 C 13 21.535 0.300 . 2 . . . . 59 VAL CG1 . 11304 1 663 . 1 1 59 59 VAL CG2 C 13 21.186 0.300 . 2 . . . . 59 VAL CG2 . 11304 1 664 . 1 1 59 59 VAL N N 15 123.394 0.300 . 1 . . . . 59 VAL N . 11304 1 665 . 1 1 60 60 ALA H H 1 7.910 0.030 . 1 . . . . 60 ALA H . 11304 1 666 . 1 1 60 60 ALA HA H 1 4.190 0.030 . 1 . . . . 60 ALA HA . 11304 1 667 . 1 1 60 60 ALA HB1 H 1 1.335 0.030 . 1 . . . . 60 ALA HB . 11304 1 668 . 1 1 60 60 ALA HB2 H 1 1.335 0.030 . 1 . . . . 60 ALA HB . 11304 1 669 . 1 1 60 60 ALA HB3 H 1 1.335 0.030 . 1 . . . . 60 ALA HB . 11304 1 670 . 1 1 60 60 ALA C C 13 177.313 0.300 . 1 . . . . 60 ALA C . 11304 1 671 . 1 1 60 60 ALA CA C 13 52.488 0.300 . 1 . . . . 60 ALA CA . 11304 1 672 . 1 1 60 60 ALA CB C 13 18.747 0.300 . 1 . . . . 60 ALA CB . 11304 1 673 . 1 1 60 60 ALA N N 15 119.013 0.300 . 1 . . . . 60 ALA N . 11304 1 674 . 1 1 61 61 SER H H 1 7.552 0.030 . 1 . . . . 61 SER H . 11304 1 675 . 1 1 61 61 SER HA H 1 4.484 0.030 . 1 . . . . 61 SER HA . 11304 1 676 . 1 1 61 61 SER HB2 H 1 3.833 0.030 . 2 . . . . 61 SER HB2 . 11304 1 677 . 1 1 61 61 SER HB3 H 1 3.750 0.030 . 2 . . . . 61 SER HB3 . 11304 1 678 . 1 1 61 61 SER C C 13 173.737 0.300 . 1 . . . . 61 SER C . 11304 1 679 . 1 1 61 61 SER CA C 13 56.895 0.300 . 1 . . . . 61 SER CA . 11304 1 680 . 1 1 61 61 SER CB C 13 64.849 0.300 . 1 . . . . 61 SER CB . 11304 1 681 . 1 1 61 61 SER N N 15 113.922 0.300 . 1 . . . . 61 SER N . 11304 1 682 . 1 1 62 62 GLU H H 1 8.584 0.030 . 1 . . . . 62 GLU H . 11304 1 683 . 1 1 62 62 GLU HA H 1 4.335 0.030 . 1 . . . . 62 GLU HA . 11304 1 684 . 1 1 62 62 GLU HB2 H 1 2.174 0.030 . 2 . . . . 62 GLU HB2 . 11304 1 685 . 1 1 62 62 GLU HB3 H 1 1.811 0.030 . 2 . . . . 62 GLU HB3 . 11304 1 686 . 1 1 62 62 GLU HG2 H 1 2.250 0.030 . 2 . . . . 62 GLU HG2 . 11304 1 687 . 1 1 62 62 GLU HG3 H 1 2.154 0.030 . 2 . . . . 62 GLU HG3 . 11304 1 688 . 1 1 62 62 GLU C C 13 176.276 0.300 . 1 . . . . 62 GLU C . 11304 1 689 . 1 1 62 62 GLU CA C 13 56.194 0.300 . 1 . . . . 62 GLU CA . 11304 1 690 . 1 1 62 62 GLU CB C 13 31.148 0.300 . 1 . . . . 62 GLU CB . 11304 1 691 . 1 1 62 62 GLU CG C 13 36.271 0.300 . 1 . . . . 62 GLU CG . 11304 1 692 . 1 1 62 62 GLU N N 15 120.299 0.300 . 1 . . . . 62 GLU N . 11304 1 693 . 1 1 63 63 ILE H H 1 7.771 0.030 . 1 . . . . 63 ILE H . 11304 1 694 . 1 1 63 63 ILE HA H 1 4.265 0.030 . 1 . . . . 63 ILE HA . 11304 1 695 . 1 1 63 63 ILE HB H 1 1.757 0.030 . 1 . . . . 63 ILE HB . 11304 1 696 . 1 1 63 63 ILE HD11 H 1 0.848 0.030 . 1 . . . . 63 ILE HD1 . 11304 1 697 . 1 1 63 63 ILE HD12 H 1 0.848 0.030 . 1 . . . . 63 ILE HD1 . 11304 1 698 . 1 1 63 63 ILE HD13 H 1 0.848 0.030 . 1 . . . . 63 ILE HD1 . 11304 1 699 . 1 1 63 63 ILE HG12 H 1 1.461 0.030 . 2 . . . . 63 ILE HG12 . 11304 1 700 . 1 1 63 63 ILE HG13 H 1 1.165 0.030 . 2 . . . . 63 ILE HG13 . 11304 1 701 . 1 1 63 63 ILE HG21 H 1 0.901 0.030 . 1 . . . . 63 ILE HG2 . 11304 1 702 . 1 1 63 63 ILE HG22 H 1 0.901 0.030 . 1 . . . . 63 ILE HG2 . 11304 1 703 . 1 1 63 63 ILE HG23 H 1 0.901 0.030 . 1 . . . . 63 ILE HG2 . 11304 1 704 . 1 1 63 63 ILE C C 13 175.056 0.300 . 1 . . . . 63 ILE C . 11304 1 705 . 1 1 63 63 ILE CA C 13 59.982 0.300 . 1 . . . . 63 ILE CA . 11304 1 706 . 1 1 63 63 ILE CB C 13 39.336 0.300 . 1 . . . . 63 ILE CB . 11304 1 707 . 1 1 63 63 ILE CD1 C 13 12.264 0.300 . 1 . . . . 63 ILE CD1 . 11304 1 708 . 1 1 63 63 ILE CG1 C 13 27.046 0.300 . 1 . . . . 63 ILE CG1 . 11304 1 709 . 1 1 63 63 ILE CG2 C 13 17.355 0.300 . 1 . . . . 63 ILE CG2 . 11304 1 710 . 1 1 63 63 ILE N N 15 120.142 0.300 . 1 . . . . 63 ILE N . 11304 1 711 . 1 1 64 64 TRP H H 1 8.517 0.030 . 1 . . . . 64 TRP H . 11304 1 712 . 1 1 64 64 TRP HA H 1 4.455 0.030 . 1 . . . . 64 TRP HA . 11304 1 713 . 1 1 64 64 TRP HB2 H 1 2.977 0.030 . 2 . . . . 64 TRP HB2 . 11304 1 714 . 1 1 64 64 TRP HB3 H 1 2.945 0.030 . 2 . . . . 64 TRP HB3 . 11304 1 715 . 1 1 64 64 TRP HD1 H 1 7.259 0.030 . 1 . . . . 64 TRP HD1 . 11304 1 716 . 1 1 64 64 TRP HE1 H 1 10.036 0.030 . 1 . . . . 64 TRP HE1 . 11304 1 717 . 1 1 64 64 TRP HE3 H 1 7.210 0.030 . 1 . . . . 64 TRP HE3 . 11304 1 718 . 1 1 64 64 TRP HH2 H 1 6.691 0.030 . 1 . . . . 64 TRP HH2 . 11304 1 719 . 1 1 64 64 TRP HZ2 H 1 7.200 0.030 . 1 . . . . 64 TRP HZ2 . 11304 1 720 . 1 1 64 64 TRP HZ3 H 1 6.878 0.030 . 1 . . . . 64 TRP HZ3 . 11304 1 721 . 1 1 64 64 TRP C C 13 176.490 0.300 . 1 . . . . 64 TRP C . 11304 1 722 . 1 1 64 64 TRP CA C 13 57.496 0.300 . 1 . . . . 64 TRP CA . 11304 1 723 . 1 1 64 64 TRP CB C 13 29.693 0.300 . 1 . . . . 64 TRP CB . 11304 1 724 . 1 1 64 64 TRP CD1 C 13 128.335 0.300 . 1 . . . . 64 TRP CD1 . 11304 1 725 . 1 1 64 64 TRP CE3 C 13 120.904 0.300 . 1 . . . . 64 TRP CE3 . 11304 1 726 . 1 1 64 64 TRP CH2 C 13 123.448 0.300 . 1 . . . . 64 TRP CH2 . 11304 1 727 . 1 1 64 64 TRP CZ2 C 13 114.159 0.300 . 1 . . . . 64 TRP CZ2 . 11304 1 728 . 1 1 64 64 TRP CZ3 C 13 122.105 0.300 . 1 . . . . 64 TRP CZ3 . 11304 1 729 . 1 1 64 64 TRP N N 15 127.281 0.300 . 1 . . . . 64 TRP N . 11304 1 730 . 1 1 64 64 TRP NE1 N 15 130.256 0.300 . 1 . . . . 64 TRP NE1 . 11304 1 731 . 1 1 65 65 LYS H H 1 9.327 0.030 . 1 . . . . 65 LYS H . 11304 1 732 . 1 1 65 65 LYS HA H 1 4.673 0.030 . 1 . . . . 65 LYS HA . 11304 1 733 . 1 1 65 65 LYS HB2 H 1 2.000 0.030 . 1 . . . . 65 LYS HB2 . 11304 1 734 . 1 1 65 65 LYS HB3 H 1 2.000 0.030 . 1 . . . . 65 LYS HB3 . 11304 1 735 . 1 1 65 65 LYS HD2 H 1 1.755 0.030 . 1 . . . . 65 LYS HD2 . 11304 1 736 . 1 1 65 65 LYS HD3 H 1 1.755 0.030 . 1 . . . . 65 LYS HD3 . 11304 1 737 . 1 1 65 65 LYS HE2 H 1 3.050 0.030 . 1 . . . . 65 LYS HE2 . 11304 1 738 . 1 1 65 65 LYS HE3 H 1 3.050 0.030 . 1 . . . . 65 LYS HE3 . 11304 1 739 . 1 1 65 65 LYS HG2 H 1 1.632 0.030 . 2 . . . . 65 LYS HG2 . 11304 1 740 . 1 1 65 65 LYS HG3 H 1 1.486 0.030 . 2 . . . . 65 LYS HG3 . 11304 1 741 . 1 1 65 65 LYS C C 13 175.384 0.300 . 1 . . . . 65 LYS C . 11304 1 742 . 1 1 65 65 LYS CA C 13 55.866 0.300 . 1 . . . . 65 LYS CA . 11304 1 743 . 1 1 65 65 LYS CB C 13 33.461 0.300 . 1 . . . . 65 LYS CB . 11304 1 744 . 1 1 65 65 LYS CD C 13 29.321 0.300 . 1 . . . . 65 LYS CD . 11304 1 745 . 1 1 65 65 LYS CE C 13 42.254 0.300 . 1 . . . . 65 LYS CE . 11304 1 746 . 1 1 65 65 LYS CG C 13 25.652 0.300 . 1 . . . . 65 LYS CG . 11304 1 747 . 1 1 65 65 LYS N N 15 125.687 0.300 . 1 . . . . 65 LYS N . 11304 1 748 . 1 1 66 66 ILE H H 1 8.332 0.030 . 1 . . . . 66 ILE H . 11304 1 749 . 1 1 66 66 ILE HA H 1 4.954 0.030 . 1 . . . . 66 ILE HA . 11304 1 750 . 1 1 66 66 ILE HB H 1 1.690 0.030 . 1 . . . . 66 ILE HB . 11304 1 751 . 1 1 66 66 ILE HD11 H 1 0.825 0.030 . 1 . . . . 66 ILE HD1 . 11304 1 752 . 1 1 66 66 ILE HD12 H 1 0.825 0.030 . 1 . . . . 66 ILE HD1 . 11304 1 753 . 1 1 66 66 ILE HD13 H 1 0.825 0.030 . 1 . . . . 66 ILE HD1 . 11304 1 754 . 1 1 66 66 ILE HG12 H 1 1.495 0.030 . 2 . . . . 66 ILE HG12 . 11304 1 755 . 1 1 66 66 ILE HG13 H 1 1.224 0.030 . 2 . . . . 66 ILE HG13 . 11304 1 756 . 1 1 66 66 ILE HG21 H 1 0.804 0.030 . 1 . . . . 66 ILE HG2 . 11304 1 757 . 1 1 66 66 ILE HG22 H 1 0.804 0.030 . 1 . . . . 66 ILE HG2 . 11304 1 758 . 1 1 66 66 ILE HG23 H 1 0.804 0.030 . 1 . . . . 66 ILE HG2 . 11304 1 759 . 1 1 66 66 ILE C C 13 176.734 0.300 . 1 . . . . 66 ILE C . 11304 1 760 . 1 1 66 66 ILE CA C 13 61.410 0.300 . 1 . . . . 66 ILE CA . 11304 1 761 . 1 1 66 66 ILE CB C 13 40.343 0.300 . 1 . . . . 66 ILE CB . 11304 1 762 . 1 1 66 66 ILE CD1 C 13 13.766 0.300 . 1 . . . . 66 ILE CD1 . 11304 1 763 . 1 1 66 66 ILE CG1 C 13 27.076 0.300 . 1 . . . . 66 ILE CG1 . 11304 1 764 . 1 1 66 66 ILE CG2 C 13 17.950 0.300 . 1 . . . . 66 ILE CG2 . 11304 1 765 . 1 1 66 66 ILE N N 15 122.212 0.300 . 1 . . . . 66 ILE N . 11304 1 766 . 1 1 67 67 VAL H H 1 9.639 0.030 . 1 . . . . 67 VAL H . 11304 1 767 . 1 1 67 67 VAL HA H 1 4.348 0.030 . 1 . . . . 67 VAL HA . 11304 1 768 . 1 1 67 67 VAL HB H 1 2.068 0.030 . 1 . . . . 67 VAL HB . 11304 1 769 . 1 1 67 67 VAL HG11 H 1 0.954 0.030 . 1 . . . . 67 VAL HG1 . 11304 1 770 . 1 1 67 67 VAL HG12 H 1 0.954 0.030 . 1 . . . . 67 VAL HG1 . 11304 1 771 . 1 1 67 67 VAL HG13 H 1 0.954 0.030 . 1 . . . . 67 VAL HG1 . 11304 1 772 . 1 1 67 67 VAL HG21 H 1 0.949 0.030 . 1 . . . . 67 VAL HG2 . 11304 1 773 . 1 1 67 67 VAL HG22 H 1 0.949 0.030 . 1 . . . . 67 VAL HG2 . 11304 1 774 . 1 1 67 67 VAL HG23 H 1 0.949 0.030 . 1 . . . . 67 VAL HG2 . 11304 1 775 . 1 1 67 67 VAL C C 13 174.637 0.300 . 1 . . . . 67 VAL C . 11304 1 776 . 1 1 67 67 VAL CA C 13 61.616 0.300 . 1 . . . . 67 VAL CA . 11304 1 777 . 1 1 67 67 VAL CB C 13 34.723 0.300 . 1 . . . . 67 VAL CB . 11304 1 778 . 1 1 67 67 VAL CG1 C 13 21.289 0.300 . 2 . . . . 67 VAL CG1 . 11304 1 779 . 1 1 67 67 VAL CG2 C 13 20.931 0.300 . 2 . . . . 67 VAL CG2 . 11304 1 780 . 1 1 67 67 VAL N N 15 129.761 0.300 . 1 . . . . 67 VAL N . 11304 1 781 . 1 1 68 68 ARG H H 1 8.603 0.030 . 1 . . . . 68 ARG H . 11304 1 782 . 1 1 68 68 ARG HA H 1 5.335 0.030 . 1 . . . . 68 ARG HA . 11304 1 783 . 1 1 68 68 ARG HB2 H 1 1.826 0.030 . 2 . . . . 68 ARG HB2 . 11304 1 784 . 1 1 68 68 ARG HB3 H 1 1.698 0.030 . 2 . . . . 68 ARG HB3 . 11304 1 785 . 1 1 68 68 ARG HD2 H 1 2.925 0.030 . 2 . . . . 68 ARG HD2 . 11304 1 786 . 1 1 68 68 ARG HD3 H 1 2.801 0.030 . 2 . . . . 68 ARG HD3 . 11304 1 787 . 1 1 68 68 ARG HG2 H 1 1.664 0.030 . 2 . . . . 68 ARG HG2 . 11304 1 788 . 1 1 68 68 ARG HG3 H 1 1.583 0.030 . 2 . . . . 68 ARG HG3 . 11304 1 789 . 1 1 68 68 ARG C C 13 177.034 0.300 . 1 . . . . 68 ARG C . 11304 1 790 . 1 1 68 68 ARG CA C 13 55.154 0.300 . 1 . . . . 68 ARG CA . 11304 1 791 . 1 1 68 68 ARG CB C 13 32.457 0.300 . 1 . . . . 68 ARG CB . 11304 1 792 . 1 1 68 68 ARG CD C 13 43.412 0.300 . 1 . . . . 68 ARG CD . 11304 1 793 . 1 1 68 68 ARG CG C 13 28.405 0.300 . 1 . . . . 68 ARG CG . 11304 1 794 . 1 1 68 68 ARG N N 15 124.304 0.300 . 1 . . . . 68 ARG N . 11304 1 795 . 1 1 69 69 SER H H 1 9.118 0.030 . 1 . . . . 69 SER H . 11304 1 796 . 1 1 69 69 SER HA H 1 4.480 0.030 . 1 . . . . 69 SER HA . 11304 1 797 . 1 1 69 69 SER HB2 H 1 4.610 0.030 . 2 . . . . 69 SER HB2 . 11304 1 798 . 1 1 69 69 SER HB3 H 1 3.952 0.030 . 2 . . . . 69 SER HB3 . 11304 1 799 . 1 1 69 69 SER C C 13 173.169 0.300 . 1 . . . . 69 SER C . 11304 1 800 . 1 1 69 69 SER CA C 13 58.459 0.300 . 1 . . . . 69 SER CA . 11304 1 801 . 1 1 69 69 SER CB C 13 64.756 0.300 . 1 . . . . 69 SER CB . 11304 1 802 . 1 1 69 69 SER N N 15 117.706 0.300 . 1 . . . . 69 SER N . 11304 1 803 . 1 1 70 70 HIS H H 1 8.935 0.030 . 1 . . . . 70 HIS H . 11304 1 804 . 1 1 70 70 HIS HA H 1 4.819 0.030 . 1 . . . . 70 HIS HA . 11304 1 805 . 1 1 70 70 HIS HB2 H 1 3.224 0.030 . 2 . . . . 70 HIS HB2 . 11304 1 806 . 1 1 70 70 HIS HB3 H 1 3.100 0.030 . 2 . . . . 70 HIS HB3 . 11304 1 807 . 1 1 70 70 HIS HD2 H 1 7.057 0.030 . 1 . . . . 70 HIS HD2 . 11304 1 808 . 1 1 70 70 HIS C C 13 175.886 0.300 . 1 . . . . 70 HIS C . 11304 1 809 . 1 1 70 70 HIS CA C 13 55.672 0.300 . 1 . . . . 70 HIS CA . 11304 1 810 . 1 1 70 70 HIS CB C 13 29.534 0.300 . 1 . . . . 70 HIS CB . 11304 1 811 . 1 1 70 70 HIS CD2 C 13 119.430 0.300 . 1 . . . . 70 HIS CD2 . 11304 1 812 . 1 1 70 70 HIS N N 15 120.924 0.300 . 1 . . . . 70 HIS N . 11304 1 813 . 1 1 71 71 GLY H H 1 8.250 0.030 . 1 . . . . 71 GLY H . 11304 1 814 . 1 1 71 71 GLY HA2 H 1 4.086 0.030 . 2 . . . . 71 GLY HA2 . 11304 1 815 . 1 1 71 71 GLY HA3 H 1 3.956 0.030 . 2 . . . . 71 GLY HA3 . 11304 1 816 . 1 1 71 71 GLY C C 13 174.796 0.300 . 1 . . . . 71 GLY C . 11304 1 817 . 1 1 71 71 GLY CA C 13 46.096 0.300 . 1 . . . . 71 GLY CA . 11304 1 818 . 1 1 71 71 GLY N N 15 113.208 0.300 . 1 . . . . 71 GLY N . 11304 1 819 . 1 1 72 72 VAL H H 1 8.347 0.030 . 1 . . . . 72 VAL H . 11304 1 820 . 1 1 72 72 VAL HA H 1 4.276 0.030 . 1 . . . . 72 VAL HA . 11304 1 821 . 1 1 72 72 VAL HB H 1 2.452 0.030 . 1 . . . . 72 VAL HB . 11304 1 822 . 1 1 72 72 VAL HG11 H 1 0.748 0.030 . 1 . . . . 72 VAL HG1 . 11304 1 823 . 1 1 72 72 VAL HG12 H 1 0.748 0.030 . 1 . . . . 72 VAL HG1 . 11304 1 824 . 1 1 72 72 VAL HG13 H 1 0.748 0.030 . 1 . . . . 72 VAL HG1 . 11304 1 825 . 1 1 72 72 VAL HG21 H 1 0.890 0.030 . 1 . . . . 72 VAL HG2 . 11304 1 826 . 1 1 72 72 VAL HG22 H 1 0.890 0.030 . 1 . . . . 72 VAL HG2 . 11304 1 827 . 1 1 72 72 VAL HG23 H 1 0.890 0.030 . 1 . . . . 72 VAL HG2 . 11304 1 828 . 1 1 72 72 VAL C C 13 176.259 0.300 . 1 . . . . 72 VAL C . 11304 1 829 . 1 1 72 72 VAL CA C 13 61.536 0.300 . 1 . . . . 72 VAL CA . 11304 1 830 . 1 1 72 72 VAL CB C 13 30.489 0.300 . 1 . . . . 72 VAL CB . 11304 1 831 . 1 1 72 72 VAL CG1 C 13 22.202 0.300 . 2 . . . . 72 VAL CG1 . 11304 1 832 . 1 1 72 72 VAL CG2 C 13 18.383 0.300 . 2 . . . . 72 VAL CG2 . 11304 1 833 . 1 1 72 72 VAL N N 15 116.870 0.300 . 1 . . . . 72 VAL N . 11304 1 834 . 1 1 73 73 GLN H H 1 7.725 0.030 . 1 . . . . 73 GLN H . 11304 1 835 . 1 1 73 73 GLN HA H 1 4.347 0.030 . 1 . . . . 73 GLN HA . 11304 1 836 . 1 1 73 73 GLN HB2 H 1 2.231 0.030 . 1 . . . . 73 GLN HB2 . 11304 1 837 . 1 1 73 73 GLN HB3 H 1 2.231 0.030 . 1 . . . . 73 GLN HB3 . 11304 1 838 . 1 1 73 73 GLN HE21 H 1 7.644 0.030 . 2 . . . . 73 GLN HE21 . 11304 1 839 . 1 1 73 73 GLN HE22 H 1 6.963 0.030 . 2 . . . . 73 GLN HE22 . 11304 1 840 . 1 1 73 73 GLN HG2 H 1 2.612 0.030 . 2 . . . . 73 GLN HG2 . 11304 1 841 . 1 1 73 73 GLN HG3 H 1 2.500 0.030 . 2 . . . . 73 GLN HG3 . 11304 1 842 . 1 1 73 73 GLN C C 13 176.022 0.300 . 1 . . . . 73 GLN C . 11304 1 843 . 1 1 73 73 GLN CA C 13 56.948 0.300 . 1 . . . . 73 GLN CA . 11304 1 844 . 1 1 73 73 GLN CB C 13 29.676 0.300 . 1 . . . . 73 GLN CB . 11304 1 845 . 1 1 73 73 GLN CG C 13 34.265 0.300 . 1 . . . . 73 GLN CG . 11304 1 846 . 1 1 73 73 GLN N N 15 122.902 0.300 . 1 . . . . 73 GLN N . 11304 1 847 . 1 1 73 73 GLN NE2 N 15 112.234 0.300 . 1 . . . . 73 GLN NE2 . 11304 1 848 . 1 1 74 74 THR H H 1 7.856 0.030 . 1 . . . . 74 THR H . 11304 1 849 . 1 1 74 74 THR HA H 1 3.513 0.030 . 1 . . . . 74 THR HA . 11304 1 850 . 1 1 74 74 THR HB H 1 3.873 0.030 . 1 . . . . 74 THR HB . 11304 1 851 . 1 1 74 74 THR HG21 H 1 0.834 0.030 . 1 . . . . 74 THR HG2 . 11304 1 852 . 1 1 74 74 THR HG22 H 1 0.834 0.030 . 1 . . . . 74 THR HG2 . 11304 1 853 . 1 1 74 74 THR HG23 H 1 0.834 0.030 . 1 . . . . 74 THR HG2 . 11304 1 854 . 1 1 74 74 THR C C 13 172.621 0.300 . 1 . . . . 74 THR C . 11304 1 855 . 1 1 74 74 THR CA C 13 59.252 0.300 . 1 . . . . 74 THR CA . 11304 1 856 . 1 1 74 74 THR CB C 13 66.115 0.300 . 1 . . . . 74 THR CB . 11304 1 857 . 1 1 74 74 THR CG2 C 13 20.822 0.300 . 1 . . . . 74 THR CG2 . 11304 1 858 . 1 1 74 74 THR N N 15 112.556 0.300 . 1 . . . . 74 THR N . 11304 1 859 . 1 1 75 75 MET H H 1 6.848 0.030 . 1 . . . . 75 MET H . 11304 1 860 . 1 1 75 75 MET HA H 1 5.182 0.030 . 1 . . . . 75 MET HA . 11304 1 861 . 1 1 75 75 MET HB2 H 1 1.756 0.030 . 2 . . . . 75 MET HB2 . 11304 1 862 . 1 1 75 75 MET HB3 H 1 1.700 0.030 . 2 . . . . 75 MET HB3 . 11304 1 863 . 1 1 75 75 MET HE1 H 1 1.916 0.030 . 1 . . . . 75 MET HE . 11304 1 864 . 1 1 75 75 MET HE2 H 1 1.916 0.030 . 1 . . . . 75 MET HE . 11304 1 865 . 1 1 75 75 MET HE3 H 1 1.916 0.030 . 1 . . . . 75 MET HE . 11304 1 866 . 1 1 75 75 MET HG2 H 1 2.283 0.030 . 2 . . . . 75 MET HG2 . 11304 1 867 . 1 1 75 75 MET HG3 H 1 2.237 0.030 . 2 . . . . 75 MET HG3 . 11304 1 868 . 1 1 75 75 MET C C 13 175.421 0.300 . 1 . . . . 75 MET C . 11304 1 869 . 1 1 75 75 MET CA C 13 54.375 0.300 . 1 . . . . 75 MET CA . 11304 1 870 . 1 1 75 75 MET CB C 13 35.353 0.300 . 1 . . . . 75 MET CB . 11304 1 871 . 1 1 75 75 MET CE C 13 16.950 0.300 . 1 . . . . 75 MET CE . 11304 1 872 . 1 1 75 75 MET CG C 13 31.546 0.300 . 1 . . . . 75 MET CG . 11304 1 873 . 1 1 75 75 MET N N 15 116.901 0.300 . 1 . . . . 75 MET N . 11304 1 874 . 1 1 76 76 VAL H H 1 8.929 0.030 . 1 . . . . 76 VAL H . 11304 1 875 . 1 1 76 76 VAL HA H 1 4.360 0.030 . 1 . . . . 76 VAL HA . 11304 1 876 . 1 1 76 76 VAL HB H 1 1.778 0.030 . 1 . . . . 76 VAL HB . 11304 1 877 . 1 1 76 76 VAL HG11 H 1 0.830 0.030 . 1 . . . . 76 VAL HG1 . 11304 1 878 . 1 1 76 76 VAL HG12 H 1 0.830 0.030 . 1 . . . . 76 VAL HG1 . 11304 1 879 . 1 1 76 76 VAL HG13 H 1 0.830 0.030 . 1 . . . . 76 VAL HG1 . 11304 1 880 . 1 1 76 76 VAL HG21 H 1 0.868 0.030 . 1 . . . . 76 VAL HG2 . 11304 1 881 . 1 1 76 76 VAL HG22 H 1 0.868 0.030 . 1 . . . . 76 VAL HG2 . 11304 1 882 . 1 1 76 76 VAL HG23 H 1 0.868 0.030 . 1 . . . . 76 VAL HG2 . 11304 1 883 . 1 1 76 76 VAL C C 13 173.512 0.300 . 1 . . . . 76 VAL C . 11304 1 884 . 1 1 76 76 VAL CA C 13 61.040 0.300 . 1 . . . . 76 VAL CA . 11304 1 885 . 1 1 76 76 VAL CB C 13 36.782 0.300 . 1 . . . . 76 VAL CB . 11304 1 886 . 1 1 76 76 VAL CG1 C 13 21.411 0.300 . 2 . . . . 76 VAL CG1 . 11304 1 887 . 1 1 76 76 VAL CG2 C 13 21.411 0.300 . 2 . . . . 76 VAL CG2 . 11304 1 888 . 1 1 76 76 VAL N N 15 122.871 0.300 . 1 . . . . 76 VAL N . 11304 1 889 . 1 1 77 77 VAL H H 1 8.460 0.030 . 1 . . . . 77 VAL H . 11304 1 890 . 1 1 77 77 VAL HA H 1 4.360 0.030 . 1 . . . . 77 VAL HA . 11304 1 891 . 1 1 77 77 VAL HB H 1 1.936 0.030 . 1 . . . . 77 VAL HB . 11304 1 892 . 1 1 77 77 VAL HG11 H 1 0.794 0.030 . 1 . . . . 77 VAL HG1 . 11304 1 893 . 1 1 77 77 VAL HG12 H 1 0.794 0.030 . 1 . . . . 77 VAL HG1 . 11304 1 894 . 1 1 77 77 VAL HG13 H 1 0.794 0.030 . 1 . . . . 77 VAL HG1 . 11304 1 895 . 1 1 77 77 VAL HG21 H 1 0.882 0.030 . 1 . . . . 77 VAL HG2 . 11304 1 896 . 1 1 77 77 VAL HG22 H 1 0.882 0.030 . 1 . . . . 77 VAL HG2 . 11304 1 897 . 1 1 77 77 VAL HG23 H 1 0.882 0.030 . 1 . . . . 77 VAL HG2 . 11304 1 898 . 1 1 77 77 VAL C C 13 174.962 0.300 . 1 . . . . 77 VAL C . 11304 1 899 . 1 1 77 77 VAL CA C 13 62.364 0.300 . 1 . . . . 77 VAL CA . 11304 1 900 . 1 1 77 77 VAL CB C 13 32.673 0.300 . 1 . . . . 77 VAL CB . 11304 1 901 . 1 1 77 77 VAL CG1 C 13 21.202 0.300 . 2 . . . . 77 VAL CG1 . 11304 1 902 . 1 1 77 77 VAL CG2 C 13 21.945 0.300 . 2 . . . . 77 VAL CG2 . 11304 1 903 . 1 1 77 77 VAL N N 15 126.375 0.300 . 1 . . . . 77 VAL N . 11304 1 904 . 1 1 78 78 LEU H H 1 9.202 0.030 . 1 . . . . 78 LEU H . 11304 1 905 . 1 1 78 78 LEU HA H 1 4.563 0.030 . 1 . . . . 78 LEU HA . 11304 1 906 . 1 1 78 78 LEU HB2 H 1 1.830 0.030 . 2 . . . . 78 LEU HB2 . 11304 1 907 . 1 1 78 78 LEU HB3 H 1 1.270 0.030 . 2 . . . . 78 LEU HB3 . 11304 1 908 . 1 1 78 78 LEU HD11 H 1 0.727 0.030 . 1 . . . . 78 LEU HD1 . 11304 1 909 . 1 1 78 78 LEU HD12 H 1 0.727 0.030 . 1 . . . . 78 LEU HD1 . 11304 1 910 . 1 1 78 78 LEU HD13 H 1 0.727 0.030 . 1 . . . . 78 LEU HD1 . 11304 1 911 . 1 1 78 78 LEU HD21 H 1 0.757 0.030 . 1 . . . . 78 LEU HD2 . 11304 1 912 . 1 1 78 78 LEU HD22 H 1 0.757 0.030 . 1 . . . . 78 LEU HD2 . 11304 1 913 . 1 1 78 78 LEU HD23 H 1 0.757 0.030 . 1 . . . . 78 LEU HD2 . 11304 1 914 . 1 1 78 78 LEU HG H 1 1.588 0.030 . 1 . . . . 78 LEU HG . 11304 1 915 . 1 1 78 78 LEU C C 13 174.803 0.300 . 1 . . . . 78 LEU C . 11304 1 916 . 1 1 78 78 LEU CA C 13 53.362 0.300 . 1 . . . . 78 LEU CA . 11304 1 917 . 1 1 78 78 LEU CB C 13 42.402 0.300 . 1 . . . . 78 LEU CB . 11304 1 918 . 1 1 78 78 LEU CD1 C 13 26.297 0.300 . 2 . . . . 78 LEU CD1 . 11304 1 919 . 1 1 78 78 LEU CD2 C 13 23.364 0.300 . 2 . . . . 78 LEU CD2 . 11304 1 920 . 1 1 78 78 LEU CG C 13 26.851 0.300 . 1 . . . . 78 LEU CG . 11304 1 921 . 1 1 78 78 LEU N N 15 127.811 0.300 . 1 . . . . 78 LEU N . 11304 1 922 . 1 1 79 79 ASN H H 1 8.230 0.030 . 1 . . . . 79 ASN H . 11304 1 923 . 1 1 79 79 ASN HA H 1 5.233 0.030 . 1 . . . . 79 ASN HA . 11304 1 924 . 1 1 79 79 ASN HB2 H 1 2.726 0.030 . 2 . . . . 79 ASN HB2 . 11304 1 925 . 1 1 79 79 ASN HB3 H 1 2.658 0.030 . 2 . . . . 79 ASN HB3 . 11304 1 926 . 1 1 79 79 ASN HD21 H 1 7.403 0.030 . 2 . . . . 79 ASN HD21 . 11304 1 927 . 1 1 79 79 ASN HD22 H 1 6.759 0.030 . 2 . . . . 79 ASN HD22 . 11304 1 928 . 1 1 79 79 ASN C C 13 174.130 0.300 . 1 . . . . 79 ASN C . 11304 1 929 . 1 1 79 79 ASN CA C 13 51.474 0.300 . 1 . . . . 79 ASN CA . 11304 1 930 . 1 1 79 79 ASN CB C 13 42.005 0.300 . 1 . . . . 79 ASN CB . 11304 1 931 . 1 1 79 79 ASN N N 15 118.977 0.300 . 1 . . . . 79 ASN N . 11304 1 932 . 1 1 79 79 ASN ND2 N 15 112.555 0.300 . 1 . . . . 79 ASN ND2 . 11304 1 933 . 1 1 80 80 ASN H H 1 9.013 0.030 . 1 . . . . 80 ASN H . 11304 1 934 . 1 1 80 80 ASN HA H 1 4.365 0.030 . 1 . . . . 80 ASN HA . 11304 1 935 . 1 1 80 80 ASN HB2 H 1 3.016 0.030 . 2 . . . . 80 ASN HB2 . 11304 1 936 . 1 1 80 80 ASN HB3 H 1 2.846 0.030 . 2 . . . . 80 ASN HB3 . 11304 1 937 . 1 1 80 80 ASN HD21 H 1 7.565 0.030 . 2 . . . . 80 ASN HD21 . 11304 1 938 . 1 1 80 80 ASN HD22 H 1 6.875 0.030 . 2 . . . . 80 ASN HD22 . 11304 1 939 . 1 1 80 80 ASN C C 13 175.033 0.300 . 1 . . . . 80 ASN C . 11304 1 940 . 1 1 80 80 ASN CA C 13 54.441 0.300 . 1 . . . . 80 ASN CA . 11304 1 941 . 1 1 80 80 ASN CB C 13 37.071 0.300 . 1 . . . . 80 ASN CB . 11304 1 942 . 1 1 80 80 ASN N N 15 112.731 0.300 . 1 . . . . 80 ASN N . 11304 1 943 . 1 1 80 80 ASN ND2 N 15 113.199 0.300 . 1 . . . . 80 ASN ND2 . 11304 1 944 . 1 1 81 81 LEU H H 1 8.566 0.030 . 1 . . . . 81 LEU H . 11304 1 945 . 1 1 81 81 LEU HA H 1 4.394 0.030 . 1 . . . . 81 LEU HA . 11304 1 946 . 1 1 81 81 LEU HB2 H 1 1.396 0.030 . 2 . . . . 81 LEU HB2 . 11304 1 947 . 1 1 81 81 LEU HB3 H 1 1.108 0.030 . 2 . . . . 81 LEU HB3 . 11304 1 948 . 1 1 81 81 LEU HD11 H 1 0.330 0.030 . 1 . . . . 81 LEU HD1 . 11304 1 949 . 1 1 81 81 LEU HD12 H 1 0.330 0.030 . 1 . . . . 81 LEU HD1 . 11304 1 950 . 1 1 81 81 LEU HD13 H 1 0.330 0.030 . 1 . . . . 81 LEU HD1 . 11304 1 951 . 1 1 81 81 LEU HD21 H 1 0.103 0.030 . 1 . . . . 81 LEU HD2 . 11304 1 952 . 1 1 81 81 LEU HD22 H 1 0.103 0.030 . 1 . . . . 81 LEU HD2 . 11304 1 953 . 1 1 81 81 LEU HD23 H 1 0.103 0.030 . 1 . . . . 81 LEU HD2 . 11304 1 954 . 1 1 81 81 LEU HG H 1 1.130 0.030 . 1 . . . . 81 LEU HG . 11304 1 955 . 1 1 81 81 LEU C C 13 175.680 0.300 . 1 . . . . 81 LEU C . 11304 1 956 . 1 1 81 81 LEU CA C 13 53.530 0.300 . 1 . . . . 81 LEU CA . 11304 1 957 . 1 1 81 81 LEU CB C 13 41.093 0.300 . 1 . . . . 81 LEU CB . 11304 1 958 . 1 1 81 81 LEU CD1 C 13 25.896 0.300 . 2 . . . . 81 LEU CD1 . 11304 1 959 . 1 1 81 81 LEU CD2 C 13 19.877 0.300 . 2 . . . . 81 LEU CD2 . 11304 1 960 . 1 1 81 81 LEU CG C 13 26.311 0.300 . 1 . . . . 81 LEU CG . 11304 1 961 . 1 1 81 81 LEU N N 15 117.866 0.300 . 1 . . . . 81 LEU N . 11304 1 962 . 1 1 82 82 GLU H H 1 8.600 0.030 . 1 . . . . 82 GLU H . 11304 1 963 . 1 1 82 82 GLU HA H 1 4.811 0.030 . 1 . . . . 82 GLU HA . 11304 1 964 . 1 1 82 82 GLU HB2 H 1 1.993 0.030 . 2 . . . . 82 GLU HB2 . 11304 1 965 . 1 1 82 82 GLU HB3 H 1 1.883 0.030 . 2 . . . . 82 GLU HB3 . 11304 1 966 . 1 1 82 82 GLU HG2 H 1 2.363 0.030 . 2 . . . . 82 GLU HG2 . 11304 1 967 . 1 1 82 82 GLU HG3 H 1 2.280 0.030 . 2 . . . . 82 GLU HG3 . 11304 1 968 . 1 1 82 82 GLU C C 13 174.805 0.300 . 1 . . . . 82 GLU C . 11304 1 969 . 1 1 82 82 GLU CA C 13 53.045 0.300 . 1 . . . . 82 GLU CA . 11304 1 970 . 1 1 82 82 GLU CB C 13 30.892 0.300 . 1 . . . . 82 GLU CB . 11304 1 971 . 1 1 82 82 GLU CG C 13 35.590 0.300 . 1 . . . . 82 GLU CG . 11304 1 972 . 1 1 82 82 GLU N N 15 120.419 0.300 . 1 . . . . 82 GLU N . 11304 1 973 . 1 1 83 83 PRO HA H 1 5.190 0.030 . 1 . . . . 83 PRO HA . 11304 1 974 . 1 1 83 83 PRO HB2 H 1 2.414 0.030 . 2 . . . . 83 PRO HB2 . 11304 1 975 . 1 1 83 83 PRO HB3 H 1 1.930 0.030 . 2 . . . . 83 PRO HB3 . 11304 1 976 . 1 1 83 83 PRO HD2 H 1 3.787 0.030 . 2 . . . . 83 PRO HD2 . 11304 1 977 . 1 1 83 83 PRO HD3 H 1 3.670 0.030 . 2 . . . . 83 PRO HD3 . 11304 1 978 . 1 1 83 83 PRO HG2 H 1 2.011 0.030 . 2 . . . . 83 PRO HG2 . 11304 1 979 . 1 1 83 83 PRO HG3 H 1 1.820 0.030 . 2 . . . . 83 PRO HG3 . 11304 1 980 . 1 1 83 83 PRO C C 13 178.406 0.300 . 1 . . . . 83 PRO C . 11304 1 981 . 1 1 83 83 PRO CA C 13 62.836 0.300 . 1 . . . . 83 PRO CA . 11304 1 982 . 1 1 83 83 PRO CB C 13 33.064 0.300 . 1 . . . . 83 PRO CB . 11304 1 983 . 1 1 83 83 PRO CD C 13 51.071 0.300 . 1 . . . . 83 PRO CD . 11304 1 984 . 1 1 83 83 PRO CG C 13 27.556 0.300 . 1 . . . . 83 PRO CG . 11304 1 985 . 1 1 84 84 ASN H H 1 7.696 0.030 . 1 . . . . 84 ASN H . 11304 1 986 . 1 1 84 84 ASN HA H 1 4.320 0.030 . 1 . . . . 84 ASN HA . 11304 1 987 . 1 1 84 84 ASN HB2 H 1 3.243 0.030 . 2 . . . . 84 ASN HB2 . 11304 1 988 . 1 1 84 84 ASN HB3 H 1 2.248 0.030 . 2 . . . . 84 ASN HB3 . 11304 1 989 . 1 1 84 84 ASN HD21 H 1 7.513 0.030 . 2 . . . . 84 ASN HD21 . 11304 1 990 . 1 1 84 84 ASN HD22 H 1 6.670 0.030 . 2 . . . . 84 ASN HD22 . 11304 1 991 . 1 1 84 84 ASN C C 13 174.516 0.300 . 1 . . . . 84 ASN C . 11304 1 992 . 1 1 84 84 ASN CA C 13 53.285 0.300 . 1 . . . . 84 ASN CA . 11304 1 993 . 1 1 84 84 ASN CB C 13 39.593 0.300 . 1 . . . . 84 ASN CB . 11304 1 994 . 1 1 84 84 ASN N N 15 124.385 0.300 . 1 . . . . 84 ASN N . 11304 1 995 . 1 1 84 84 ASN ND2 N 15 109.498 0.300 . 1 . . . . 84 ASN ND2 . 11304 1 996 . 1 1 85 85 THR H H 1 8.431 0.030 . 1 . . . . 85 THR H . 11304 1 997 . 1 1 85 85 THR HA H 1 4.375 0.030 . 1 . . . . 85 THR HA . 11304 1 998 . 1 1 85 85 THR HB H 1 3.912 0.030 . 1 . . . . 85 THR HB . 11304 1 999 . 1 1 85 85 THR HG21 H 1 0.521 0.030 . 1 . . . . 85 THR HG2 . 11304 1 1000 . 1 1 85 85 THR HG22 H 1 0.521 0.030 . 1 . . . . 85 THR HG2 . 11304 1 1001 . 1 1 85 85 THR HG23 H 1 0.521 0.030 . 1 . . . . 85 THR HG2 . 11304 1 1002 . 1 1 85 85 THR C C 13 171.448 0.300 . 1 . . . . 85 THR C . 11304 1 1003 . 1 1 85 85 THR CA C 13 63.202 0.300 . 1 . . . . 85 THR CA . 11304 1 1004 . 1 1 85 85 THR CB C 13 71.138 0.300 . 1 . . . . 85 THR CB . 11304 1 1005 . 1 1 85 85 THR CG2 C 13 20.076 0.300 . 1 . . . . 85 THR CG2 . 11304 1 1006 . 1 1 85 85 THR N N 15 115.629 0.300 . 1 . . . . 85 THR N . 11304 1 1007 . 1 1 86 86 THR H H 1 8.288 0.030 . 1 . . . . 86 THR H . 11304 1 1008 . 1 1 86 86 THR HA H 1 4.660 0.030 . 1 . . . . 86 THR HA . 11304 1 1009 . 1 1 86 86 THR HB H 1 3.788 0.030 . 1 . . . . 86 THR HB . 11304 1 1010 . 1 1 86 86 THR HG21 H 1 1.030 0.030 . 1 . . . . 86 THR HG2 . 11304 1 1011 . 1 1 86 86 THR HG22 H 1 1.030 0.030 . 1 . . . . 86 THR HG2 . 11304 1 1012 . 1 1 86 86 THR HG23 H 1 1.030 0.030 . 1 . . . . 86 THR HG2 . 11304 1 1013 . 1 1 86 86 THR C C 13 172.930 0.300 . 1 . . . . 86 THR C . 11304 1 1014 . 1 1 86 86 THR CA C 13 62.576 0.300 . 1 . . . . 86 THR CA . 11304 1 1015 . 1 1 86 86 THR CB C 13 68.439 0.300 . 1 . . . . 86 THR CB . 11304 1 1016 . 1 1 86 86 THR CG2 C 13 22.576 0.300 . 1 . . . . 86 THR CG2 . 11304 1 1017 . 1 1 86 86 THR N N 15 122.534 0.300 . 1 . . . . 86 THR N . 11304 1 1018 . 1 1 87 87 TYR H H 1 9.073 0.030 . 1 . . . . 87 TYR H . 11304 1 1019 . 1 1 87 87 TYR HA H 1 4.700 0.030 . 1 . . . . 87 TYR HA . 11304 1 1020 . 1 1 87 87 TYR HB2 H 1 2.219 0.030 . 2 . . . . 87 TYR HB2 . 11304 1 1021 . 1 1 87 87 TYR HB3 H 1 1.035 0.030 . 2 . . . . 87 TYR HB3 . 11304 1 1022 . 1 1 87 87 TYR HD1 H 1 6.510 0.030 . 1 . . . . 87 TYR HD1 . 11304 1 1023 . 1 1 87 87 TYR HD2 H 1 6.510 0.030 . 1 . . . . 87 TYR HD2 . 11304 1 1024 . 1 1 87 87 TYR HE1 H 1 6.747 0.030 . 1 . . . . 87 TYR HE1 . 11304 1 1025 . 1 1 87 87 TYR HE2 H 1 6.747 0.030 . 1 . . . . 87 TYR HE2 . 11304 1 1026 . 1 1 87 87 TYR C C 13 173.645 0.300 . 1 . . . . 87 TYR C . 11304 1 1027 . 1 1 87 87 TYR CA C 13 57.726 0.300 . 1 . . . . 87 TYR CA . 11304 1 1028 . 1 1 87 87 TYR CB C 13 43.297 0.300 . 1 . . . . 87 TYR CB . 11304 1 1029 . 1 1 87 87 TYR CD1 C 13 133.318 0.300 . 1 . . . . 87 TYR CD1 . 11304 1 1030 . 1 1 87 87 TYR CD2 C 13 133.318 0.300 . 1 . . . . 87 TYR CD2 . 11304 1 1031 . 1 1 87 87 TYR CE1 C 13 117.990 0.300 . 1 . . . . 87 TYR CE1 . 11304 1 1032 . 1 1 87 87 TYR CE2 C 13 117.990 0.300 . 1 . . . . 87 TYR CE2 . 11304 1 1033 . 1 1 87 87 TYR N N 15 127.429 0.300 . 1 . . . . 87 TYR N . 11304 1 1034 . 1 1 88 88 GLU H H 1 8.985 0.030 . 1 . . . . 88 GLU H . 11304 1 1035 . 1 1 88 88 GLU HA H 1 5.265 0.030 . 1 . . . . 88 GLU HA . 11304 1 1036 . 1 1 88 88 GLU HB2 H 1 1.878 0.030 . 1 . . . . 88 GLU HB2 . 11304 1 1037 . 1 1 88 88 GLU HB3 H 1 1.878 0.030 . 1 . . . . 88 GLU HB3 . 11304 1 1038 . 1 1 88 88 GLU HG2 H 1 1.962 0.030 . 1 . . . . 88 GLU HG2 . 11304 1 1039 . 1 1 88 88 GLU HG3 H 1 1.962 0.030 . 1 . . . . 88 GLU HG3 . 11304 1 1040 . 1 1 88 88 GLU C C 13 175.935 0.300 . 1 . . . . 88 GLU C . 11304 1 1041 . 1 1 88 88 GLU CA C 13 53.896 0.300 . 1 . . . . 88 GLU CA . 11304 1 1042 . 1 1 88 88 GLU CB C 13 33.702 0.300 . 1 . . . . 88 GLU CB . 11304 1 1043 . 1 1 88 88 GLU CG C 13 37.181 0.300 . 1 . . . . 88 GLU CG . 11304 1 1044 . 1 1 88 88 GLU N N 15 116.449 0.300 . 1 . . . . 88 GLU N . 11304 1 1045 . 1 1 89 89 ILE H H 1 9.025 0.030 . 1 . . . . 89 ILE H . 11304 1 1046 . 1 1 89 89 ILE HA H 1 6.173 0.030 . 1 . . . . 89 ILE HA . 11304 1 1047 . 1 1 89 89 ILE HB H 1 1.857 0.030 . 1 . . . . 89 ILE HB . 11304 1 1048 . 1 1 89 89 ILE HD11 H 1 0.696 0.030 . 1 . . . . 89 ILE HD1 . 11304 1 1049 . 1 1 89 89 ILE HD12 H 1 0.696 0.030 . 1 . . . . 89 ILE HD1 . 11304 1 1050 . 1 1 89 89 ILE HD13 H 1 0.696 0.030 . 1 . . . . 89 ILE HD1 . 11304 1 1051 . 1 1 89 89 ILE HG12 H 1 1.712 0.030 . 2 . . . . 89 ILE HG12 . 11304 1 1052 . 1 1 89 89 ILE HG13 H 1 1.044 0.030 . 2 . . . . 89 ILE HG13 . 11304 1 1053 . 1 1 89 89 ILE HG21 H 1 1.050 0.030 . 1 . . . . 89 ILE HG2 . 11304 1 1054 . 1 1 89 89 ILE HG22 H 1 1.050 0.030 . 1 . . . . 89 ILE HG2 . 11304 1 1055 . 1 1 89 89 ILE HG23 H 1 1.050 0.030 . 1 . . . . 89 ILE HG2 . 11304 1 1056 . 1 1 89 89 ILE C C 13 173.802 0.300 . 1 . . . . 89 ILE C . 11304 1 1057 . 1 1 89 89 ILE CA C 13 58.222 0.300 . 1 . . . . 89 ILE CA . 11304 1 1058 . 1 1 89 89 ILE CB C 13 43.647 0.300 . 1 . . . . 89 ILE CB . 11304 1 1059 . 1 1 89 89 ILE CD1 C 13 16.057 0.300 . 1 . . . . 89 ILE CD1 . 11304 1 1060 . 1 1 89 89 ILE CG1 C 13 27.316 0.300 . 1 . . . . 89 ILE CG1 . 11304 1 1061 . 1 1 89 89 ILE CG2 C 13 18.105 0.300 . 1 . . . . 89 ILE CG2 . 11304 1 1062 . 1 1 89 89 ILE N N 15 114.601 0.300 . 1 . . . . 89 ILE N . 11304 1 1063 . 1 1 90 90 ARG H H 1 8.694 0.030 . 1 . . . . 90 ARG H . 11304 1 1064 . 1 1 90 90 ARG HA H 1 4.556 0.030 . 1 . . . . 90 ARG HA . 11304 1 1065 . 1 1 90 90 ARG HB2 H 1 1.621 0.030 . 2 . . . . 90 ARG HB2 . 11304 1 1066 . 1 1 90 90 ARG HB3 H 1 1.475 0.030 . 2 . . . . 90 ARG HB3 . 11304 1 1067 . 1 1 90 90 ARG HD2 H 1 1.846 0.030 . 2 . . . . 90 ARG HD2 . 11304 1 1068 . 1 1 90 90 ARG HD3 H 1 1.337 0.030 . 2 . . . . 90 ARG HD3 . 11304 1 1069 . 1 1 90 90 ARG HE H 1 5.191 0.030 . 1 . . . . 90 ARG HE . 11304 1 1070 . 1 1 90 90 ARG HG2 H 1 1.029 0.030 . 2 . . . . 90 ARG HG2 . 11304 1 1071 . 1 1 90 90 ARG HG3 H 1 0.706 0.030 . 2 . . . . 90 ARG HG3 . 11304 1 1072 . 1 1 90 90 ARG C C 13 172.885 0.300 . 1 . . . . 90 ARG C . 11304 1 1073 . 1 1 90 90 ARG CA C 13 54.721 0.300 . 1 . . . . 90 ARG CA . 11304 1 1074 . 1 1 90 90 ARG CB C 13 32.719 0.300 . 1 . . . . 90 ARG CB . 11304 1 1075 . 1 1 90 90 ARG CD C 13 42.631 0.300 . 1 . . . . 90 ARG CD . 11304 1 1076 . 1 1 90 90 ARG CG C 13 25.466 0.300 . 1 . . . . 90 ARG CG . 11304 1 1077 . 1 1 90 90 ARG N N 15 118.188 0.300 . 1 . . . . 90 ARG N . 11304 1 1078 . 1 1 91 91 VAL H H 1 8.503 0.030 . 1 . . . . 91 VAL H . 11304 1 1079 . 1 1 91 91 VAL HA H 1 5.227 0.030 . 1 . . . . 91 VAL HA . 11304 1 1080 . 1 1 91 91 VAL HB H 1 1.235 0.030 . 1 . . . . 91 VAL HB . 11304 1 1081 . 1 1 91 91 VAL HG11 H 1 -0.077 0.030 . 1 . . . . 91 VAL HG1 . 11304 1 1082 . 1 1 91 91 VAL HG12 H 1 -0.077 0.030 . 1 . . . . 91 VAL HG1 . 11304 1 1083 . 1 1 91 91 VAL HG13 H 1 -0.077 0.030 . 1 . . . . 91 VAL HG1 . 11304 1 1084 . 1 1 91 91 VAL HG21 H 1 0.467 0.030 . 1 . . . . 91 VAL HG2 . 11304 1 1085 . 1 1 91 91 VAL HG22 H 1 0.467 0.030 . 1 . . . . 91 VAL HG2 . 11304 1 1086 . 1 1 91 91 VAL HG23 H 1 0.467 0.030 . 1 . . . . 91 VAL HG2 . 11304 1 1087 . 1 1 91 91 VAL C C 13 174.193 0.300 . 1 . . . . 91 VAL C . 11304 1 1088 . 1 1 91 91 VAL CA C 13 60.478 0.300 . 1 . . . . 91 VAL CA . 11304 1 1089 . 1 1 91 91 VAL CB C 13 35.173 0.300 . 1 . . . . 91 VAL CB . 11304 1 1090 . 1 1 91 91 VAL CG1 C 13 19.852 0.300 . 2 . . . . 91 VAL CG1 . 11304 1 1091 . 1 1 91 91 VAL CG2 C 13 21.140 0.300 . 2 . . . . 91 VAL CG2 . 11304 1 1092 . 1 1 91 91 VAL N N 15 119.813 0.300 . 1 . . . . 91 VAL N . 11304 1 1093 . 1 1 92 92 ALA H H 1 9.335 0.030 . 1 . . . . 92 ALA H . 11304 1 1094 . 1 1 92 92 ALA HA H 1 4.604 0.030 . 1 . . . . 92 ALA HA . 11304 1 1095 . 1 1 92 92 ALA HB1 H 1 0.645 0.030 . 1 . . . . 92 ALA HB . 11304 1 1096 . 1 1 92 92 ALA HB2 H 1 0.645 0.030 . 1 . . . . 92 ALA HB . 11304 1 1097 . 1 1 92 92 ALA HB3 H 1 0.645 0.030 . 1 . . . . 92 ALA HB . 11304 1 1098 . 1 1 92 92 ALA C C 13 175.174 0.300 . 1 . . . . 92 ALA C . 11304 1 1099 . 1 1 92 92 ALA CA C 13 50.644 0.300 . 1 . . . . 92 ALA CA . 11304 1 1100 . 1 1 92 92 ALA CB C 13 23.268 0.300 . 1 . . . . 92 ALA CB . 11304 1 1101 . 1 1 92 92 ALA N N 15 128.335 0.300 . 1 . . . . 92 ALA N . 11304 1 1102 . 1 1 93 93 ALA H H 1 9.700 0.030 . 1 . . . . 93 ALA H . 11304 1 1103 . 1 1 93 93 ALA HA H 1 4.604 0.030 . 1 . . . . 93 ALA HA . 11304 1 1104 . 1 1 93 93 ALA HB1 H 1 1.307 0.030 . 1 . . . . 93 ALA HB . 11304 1 1105 . 1 1 93 93 ALA HB2 H 1 1.307 0.030 . 1 . . . . 93 ALA HB . 11304 1 1106 . 1 1 93 93 ALA HB3 H 1 1.307 0.030 . 1 . . . . 93 ALA HB . 11304 1 1107 . 1 1 93 93 ALA C C 13 175.079 0.300 . 1 . . . . 93 ALA C . 11304 1 1108 . 1 1 93 93 ALA CA C 13 50.641 0.300 . 1 . . . . 93 ALA CA . 11304 1 1109 . 1 1 93 93 ALA CB C 13 22.755 0.300 . 1 . . . . 93 ALA CB . 11304 1 1110 . 1 1 93 93 ALA N N 15 123.790 0.300 . 1 . . . . 93 ALA N . 11304 1 1111 . 1 1 94 94 VAL H H 1 8.131 0.030 . 1 . . . . 94 VAL H . 11304 1 1112 . 1 1 94 94 VAL HA H 1 4.352 0.030 . 1 . . . . 94 VAL HA . 11304 1 1113 . 1 1 94 94 VAL HB H 1 0.650 0.030 . 1 . . . . 94 VAL HB . 11304 1 1114 . 1 1 94 94 VAL HG11 H 1 0.668 0.030 . 1 . . . . 94 VAL HG1 . 11304 1 1115 . 1 1 94 94 VAL HG12 H 1 0.668 0.030 . 1 . . . . 94 VAL HG1 . 11304 1 1116 . 1 1 94 94 VAL HG13 H 1 0.668 0.030 . 1 . . . . 94 VAL HG1 . 11304 1 1117 . 1 1 94 94 VAL HG21 H 1 0.488 0.030 . 1 . . . . 94 VAL HG2 . 11304 1 1118 . 1 1 94 94 VAL HG22 H 1 0.488 0.030 . 1 . . . . 94 VAL HG2 . 11304 1 1119 . 1 1 94 94 VAL HG23 H 1 0.488 0.030 . 1 . . . . 94 VAL HG2 . 11304 1 1120 . 1 1 94 94 VAL C C 13 175.849 0.300 . 1 . . . . 94 VAL C . 11304 1 1121 . 1 1 94 94 VAL CA C 13 61.200 0.300 . 1 . . . . 94 VAL CA . 11304 1 1122 . 1 1 94 94 VAL CB C 13 33.427 0.300 . 1 . . . . 94 VAL CB . 11304 1 1123 . 1 1 94 94 VAL CG1 C 13 21.401 0.300 . 2 . . . . 94 VAL CG1 . 11304 1 1124 . 1 1 94 94 VAL CG2 C 13 20.641 0.300 . 2 . . . . 94 VAL CG2 . 11304 1 1125 . 1 1 94 94 VAL N N 15 119.974 0.300 . 1 . . . . 94 VAL N . 11304 1 1126 . 1 1 95 95 ASN H H 1 8.599 0.030 . 1 . . . . 95 ASN H . 11304 1 1127 . 1 1 95 95 ASN HA H 1 4.701 0.030 . 1 . . . . 95 ASN HA . 11304 1 1128 . 1 1 95 95 ASN HB2 H 1 3.211 0.030 . 2 . . . . 95 ASN HB2 . 11304 1 1129 . 1 1 95 95 ASN HB3 H 1 2.366 0.030 . 2 . . . . 95 ASN HB3 . 11304 1 1130 . 1 1 95 95 ASN HD21 H 1 7.980 0.030 . 2 . . . . 95 ASN HD21 . 11304 1 1131 . 1 1 95 95 ASN HD22 H 1 7.912 0.030 . 2 . . . . 95 ASN HD22 . 11304 1 1132 . 1 1 95 95 ASN C C 13 175.900 0.300 . 1 . . . . 95 ASN C . 11304 1 1133 . 1 1 95 95 ASN CA C 13 50.595 0.300 . 1 . . . . 95 ASN CA . 11304 1 1134 . 1 1 95 95 ASN CB C 13 41.788 0.300 . 1 . . . . 95 ASN CB . 11304 1 1135 . 1 1 95 95 ASN N N 15 126.734 0.300 . 1 . . . . 95 ASN N . 11304 1 1136 . 1 1 95 95 ASN ND2 N 15 113.641 0.300 . 1 . . . . 95 ASN ND2 . 11304 1 1137 . 1 1 96 96 GLY H H 1 8.064 0.030 . 1 . . . . 96 GLY H . 11304 1 1138 . 1 1 96 96 GLY HA2 H 1 3.745 0.030 . 2 . . . . 96 GLY HA2 . 11304 1 1139 . 1 1 96 96 GLY HA3 H 1 3.683 0.030 . 2 . . . . 96 GLY HA3 . 11304 1 1140 . 1 1 96 96 GLY C C 13 174.113 0.300 . 1 . . . . 96 GLY C . 11304 1 1141 . 1 1 96 96 GLY CA C 13 46.631 0.300 . 1 . . . . 96 GLY CA . 11304 1 1142 . 1 1 96 96 GLY N N 15 103.360 0.300 . 1 . . . . 96 GLY N . 11304 1 1143 . 1 1 97 97 LYS H H 1 7.756 0.030 . 1 . . . . 97 LYS H . 11304 1 1144 . 1 1 97 97 LYS HA H 1 4.270 0.030 . 1 . . . . 97 LYS HA . 11304 1 1145 . 1 1 97 97 LYS HB2 H 1 1.822 0.030 . 2 . . . . 97 LYS HB2 . 11304 1 1146 . 1 1 97 97 LYS HB3 H 1 1.526 0.030 . 2 . . . . 97 LYS HB3 . 11304 1 1147 . 1 1 97 97 LYS HD2 H 1 1.612 0.030 . 2 . . . . 97 LYS HD2 . 11304 1 1148 . 1 1 97 97 LYS HD3 H 1 1.532 0.030 . 2 . . . . 97 LYS HD3 . 11304 1 1149 . 1 1 97 97 LYS HE2 H 1 2.954 0.030 . 2 . . . . 97 LYS HE2 . 11304 1 1150 . 1 1 97 97 LYS HE3 H 1 2.932 0.030 . 2 . . . . 97 LYS HE3 . 11304 1 1151 . 1 1 97 97 LYS HG2 H 1 1.211 0.030 . 1 . . . . 97 LYS HG2 . 11304 1 1152 . 1 1 97 97 LYS HG3 H 1 1.211 0.030 . 1 . . . . 97 LYS HG3 . 11304 1 1153 . 1 1 97 97 LYS C C 13 176.241 0.300 . 1 . . . . 97 LYS C . 11304 1 1154 . 1 1 97 97 LYS CA C 13 55.413 0.300 . 1 . . . . 97 LYS CA . 11304 1 1155 . 1 1 97 97 LYS CB C 13 32.163 0.300 . 1 . . . . 97 LYS CB . 11304 1 1156 . 1 1 97 97 LYS CD C 13 28.003 0.300 . 1 . . . . 97 LYS CD . 11304 1 1157 . 1 1 97 97 LYS CE C 13 42.109 0.300 . 1 . . . . 97 LYS CE . 11304 1 1158 . 1 1 97 97 LYS CG C 13 24.513 0.300 . 1 . . . . 97 LYS CG . 11304 1 1159 . 1 1 97 97 LYS N N 15 118.670 0.300 . 1 . . . . 97 LYS N . 11304 1 1160 . 1 1 98 98 GLY H H 1 7.818 0.030 . 1 . . . . 98 GLY H . 11304 1 1161 . 1 1 98 98 GLY HA2 H 1 4.270 0.030 . 2 . . . . 98 GLY HA2 . 11304 1 1162 . 1 1 98 98 GLY HA3 H 1 3.719 0.030 . 2 . . . . 98 GLY HA3 . 11304 1 1163 . 1 1 98 98 GLY C C 13 170.562 0.300 . 1 . . . . 98 GLY C . 11304 1 1164 . 1 1 98 98 GLY CA C 13 44.830 0.300 . 1 . . . . 98 GLY CA . 11304 1 1165 . 1 1 98 98 GLY N N 15 107.312 0.300 . 1 . . . . 98 GLY N . 11304 1 1166 . 1 1 99 99 GLN H H 1 8.279 0.030 . 1 . . . . 99 GLN H . 11304 1 1167 . 1 1 99 99 GLN HA H 1 4.470 0.030 . 1 . . . . 99 GLN HA . 11304 1 1168 . 1 1 99 99 GLN HB2 H 1 1.870 0.030 . 2 . . . . 99 GLN HB2 . 11304 1 1169 . 1 1 99 99 GLN HB3 H 1 1.771 0.030 . 2 . . . . 99 GLN HB3 . 11304 1 1170 . 1 1 99 99 GLN HE21 H 1 6.574 0.030 . 2 . . . . 99 GLN HE21 . 11304 1 1171 . 1 1 99 99 GLN HE22 H 1 6.080 0.030 . 2 . . . . 99 GLN HE22 . 11304 1 1172 . 1 1 99 99 GLN HG2 H 1 2.367 0.030 . 2 . . . . 99 GLN HG2 . 11304 1 1173 . 1 1 99 99 GLN HG3 H 1 1.715 0.030 . 2 . . . . 99 GLN HG3 . 11304 1 1174 . 1 1 99 99 GLN C C 13 176.420 0.300 . 1 . . . . 99 GLN C . 11304 1 1175 . 1 1 99 99 GLN CA C 13 55.151 0.300 . 1 . . . . 99 GLN CA . 11304 1 1176 . 1 1 99 99 GLN CB C 13 30.442 0.300 . 1 . . . . 99 GLN CB . 11304 1 1177 . 1 1 99 99 GLN CG C 13 33.130 0.300 . 1 . . . . 99 GLN CG . 11304 1 1178 . 1 1 99 99 GLN N N 15 120.224 0.300 . 1 . . . . 99 GLN N . 11304 1 1179 . 1 1 99 99 GLN NE2 N 15 109.431 0.300 . 1 . . . . 99 GLN NE2 . 11304 1 1180 . 1 1 100 100 GLY H H 1 8.688 0.030 . 1 . . . . 100 GLY H . 11304 1 1181 . 1 1 100 100 GLY HA2 H 1 4.106 0.030 . 1 . . . . 100 GLY HA2 . 11304 1 1182 . 1 1 100 100 GLY HA3 H 1 4.106 0.030 . 1 . . . . 100 GLY HA3 . 11304 1 1183 . 1 1 100 100 GLY C C 13 172.599 0.300 . 1 . . . . 100 GLY C . 11304 1 1184 . 1 1 100 100 GLY CA C 13 44.641 0.300 . 1 . . . . 100 GLY CA . 11304 1 1185 . 1 1 100 100 GLY N N 15 113.299 0.300 . 1 . . . . 100 GLY N . 11304 1 1186 . 1 1 101 101 ASP H H 1 7.828 0.030 . 1 . . . . 101 ASP H . 11304 1 1187 . 1 1 101 101 ASP HA H 1 4.326 0.030 . 1 . . . . 101 ASP HA . 11304 1 1188 . 1 1 101 101 ASP HB2 H 1 2.675 0.030 . 2 . . . . 101 ASP HB2 . 11304 1 1189 . 1 1 101 101 ASP HB3 H 1 2.418 0.030 . 2 . . . . 101 ASP HB3 . 11304 1 1190 . 1 1 101 101 ASP C C 13 177.651 0.300 . 1 . . . . 101 ASP C . 11304 1 1191 . 1 1 101 101 ASP CA C 13 54.317 0.300 . 1 . . . . 101 ASP CA . 11304 1 1192 . 1 1 101 101 ASP CB C 13 41.808 0.300 . 1 . . . . 101 ASP CB . 11304 1 1193 . 1 1 101 101 ASP N N 15 116.112 0.300 . 1 . . . . 101 ASP N . 11304 1 1194 . 1 1 102 102 TYR H H 1 8.431 0.030 . 1 . . . . 102 TYR H . 11304 1 1195 . 1 1 102 102 TYR HA H 1 4.705 0.030 . 1 . . . . 102 TYR HA . 11304 1 1196 . 1 1 102 102 TYR HB2 H 1 3.209 0.030 . 2 . . . . 102 TYR HB2 . 11304 1 1197 . 1 1 102 102 TYR HB3 H 1 2.639 0.030 . 2 . . . . 102 TYR HB3 . 11304 1 1198 . 1 1 102 102 TYR HD1 H 1 6.837 0.030 . 1 . . . . 102 TYR HD1 . 11304 1 1199 . 1 1 102 102 TYR HD2 H 1 6.837 0.030 . 1 . . . . 102 TYR HD2 . 11304 1 1200 . 1 1 102 102 TYR HE1 H 1 6.484 0.030 . 1 . . . . 102 TYR HE1 . 11304 1 1201 . 1 1 102 102 TYR HE2 H 1 6.484 0.030 . 1 . . . . 102 TYR HE2 . 11304 1 1202 . 1 1 102 102 TYR C C 13 178.762 0.300 . 1 . . . . 102 TYR C . 11304 1 1203 . 1 1 102 102 TYR CA C 13 59.197 0.300 . 1 . . . . 102 TYR CA . 11304 1 1204 . 1 1 102 102 TYR CB C 13 41.075 0.300 . 1 . . . . 102 TYR CB . 11304 1 1205 . 1 1 102 102 TYR CD1 C 13 132.777 0.300 . 1 . . . . 102 TYR CD1 . 11304 1 1206 . 1 1 102 102 TYR CD2 C 13 132.777 0.300 . 1 . . . . 102 TYR CD2 . 11304 1 1207 . 1 1 102 102 TYR CE1 C 13 121.052 0.300 . 1 . . . . 102 TYR CE1 . 11304 1 1208 . 1 1 102 102 TYR CE2 C 13 121.052 0.300 . 1 . . . . 102 TYR CE2 . 11304 1 1209 . 1 1 102 102 TYR N N 15 118.697 0.300 . 1 . . . . 102 TYR N . 11304 1 1210 . 1 1 103 103 SER H H 1 9.284 0.030 . 1 . . . . 103 SER H . 11304 1 1211 . 1 1 103 103 SER HA H 1 4.529 0.030 . 1 . . . . 103 SER HA . 11304 1 1212 . 1 1 103 103 SER HB2 H 1 4.277 0.030 . 2 . . . . 103 SER HB2 . 11304 1 1213 . 1 1 103 103 SER HB3 H 1 3.709 0.030 . 2 . . . . 103 SER HB3 . 11304 1 1214 . 1 1 103 103 SER C C 13 173.419 0.300 . 1 . . . . 103 SER C . 11304 1 1215 . 1 1 103 103 SER CA C 13 58.231 0.300 . 1 . . . . 103 SER CA . 11304 1 1216 . 1 1 103 103 SER CB C 13 66.149 0.300 . 1 . . . . 103 SER CB . 11304 1 1217 . 1 1 103 103 SER N N 15 115.131 0.300 . 1 . . . . 103 SER N . 11304 1 1218 . 1 1 104 104 LYS H H 1 8.296 0.030 . 1 . . . . 104 LYS H . 11304 1 1219 . 1 1 104 104 LYS HA H 1 4.258 0.030 . 1 . . . . 104 LYS HA . 11304 1 1220 . 1 1 104 104 LYS HB2 H 1 1.937 0.030 . 1 . . . . 104 LYS HB2 . 11304 1 1221 . 1 1 104 104 LYS HB3 H 1 1.937 0.030 . 1 . . . . 104 LYS HB3 . 11304 1 1222 . 1 1 104 104 LYS HD2 H 1 1.814 0.030 . 1 . . . . 104 LYS HD2 . 11304 1 1223 . 1 1 104 104 LYS HD3 H 1 1.814 0.030 . 1 . . . . 104 LYS HD3 . 11304 1 1224 . 1 1 104 104 LYS HE2 H 1 3.126 0.030 . 1 . . . . 104 LYS HE2 . 11304 1 1225 . 1 1 104 104 LYS HE3 H 1 3.126 0.030 . 1 . . . . 104 LYS HE3 . 11304 1 1226 . 1 1 104 104 LYS HG2 H 1 1.631 0.030 . 1 . . . . 104 LYS HG2 . 11304 1 1227 . 1 1 104 104 LYS HG3 H 1 1.631 0.030 . 1 . . . . 104 LYS HG3 . 11304 1 1228 . 1 1 104 104 LYS C C 13 177.671 0.300 . 1 . . . . 104 LYS C . 11304 1 1229 . 1 1 104 104 LYS CA C 13 57.192 0.300 . 1 . . . . 104 LYS CA . 11304 1 1230 . 1 1 104 104 LYS CB C 13 32.653 0.300 . 1 . . . . 104 LYS CB . 11304 1 1231 . 1 1 104 104 LYS CD C 13 29.302 0.300 . 1 . . . . 104 LYS CD . 11304 1 1232 . 1 1 104 104 LYS CE C 13 42.128 0.300 . 1 . . . . 104 LYS CE . 11304 1 1233 . 1 1 104 104 LYS CG C 13 24.644 0.300 . 1 . . . . 104 LYS CG . 11304 1 1234 . 1 1 104 104 LYS N N 15 119.572 0.300 . 1 . . . . 104 LYS N . 11304 1 1235 . 1 1 105 105 ILE H H 1 8.427 0.030 . 1 . . . . 105 ILE H . 11304 1 1236 . 1 1 105 105 ILE HA H 1 4.534 0.030 . 1 . . . . 105 ILE HA . 11304 1 1237 . 1 1 105 105 ILE HB H 1 1.760 0.030 . 1 . . . . 105 ILE HB . 11304 1 1238 . 1 1 105 105 ILE HD11 H 1 1.049 0.030 . 1 . . . . 105 ILE HD1 . 11304 1 1239 . 1 1 105 105 ILE HD12 H 1 1.049 0.030 . 1 . . . . 105 ILE HD1 . 11304 1 1240 . 1 1 105 105 ILE HD13 H 1 1.049 0.030 . 1 . . . . 105 ILE HD1 . 11304 1 1241 . 1 1 105 105 ILE HG12 H 1 1.793 0.030 . 2 . . . . 105 ILE HG12 . 11304 1 1242 . 1 1 105 105 ILE HG13 H 1 1.039 0.030 . 2 . . . . 105 ILE HG13 . 11304 1 1243 . 1 1 105 105 ILE HG21 H 1 1.088 0.030 . 1 . . . . 105 ILE HG2 . 11304 1 1244 . 1 1 105 105 ILE HG22 H 1 1.088 0.030 . 1 . . . . 105 ILE HG2 . 11304 1 1245 . 1 1 105 105 ILE HG23 H 1 1.088 0.030 . 1 . . . . 105 ILE HG2 . 11304 1 1246 . 1 1 105 105 ILE C C 13 176.659 0.300 . 1 . . . . 105 ILE C . 11304 1 1247 . 1 1 105 105 ILE CA C 13 62.137 0.300 . 1 . . . . 105 ILE CA . 11304 1 1248 . 1 1 105 105 ILE CB C 13 39.086 0.300 . 1 . . . . 105 ILE CB . 11304 1 1249 . 1 1 105 105 ILE CD1 C 13 13.656 0.300 . 1 . . . . 105 ILE CD1 . 11304 1 1250 . 1 1 105 105 ILE CG1 C 13 30.242 0.300 . 1 . . . . 105 ILE CG1 . 11304 1 1251 . 1 1 105 105 ILE CG2 C 13 18.626 0.300 . 1 . . . . 105 ILE CG2 . 11304 1 1252 . 1 1 105 105 ILE N N 15 126.900 0.300 . 1 . . . . 105 ILE N . 11304 1 1253 . 1 1 106 106 GLU H H 1 8.633 0.030 . 1 . . . . 106 GLU H . 11304 1 1254 . 1 1 106 106 GLU HA H 1 4.903 0.030 . 1 . . . . 106 GLU HA . 11304 1 1255 . 1 1 106 106 GLU HB2 H 1 2.064 0.030 . 2 . . . . 106 GLU HB2 . 11304 1 1256 . 1 1 106 106 GLU HB3 H 1 1.619 0.030 . 2 . . . . 106 GLU HB3 . 11304 1 1257 . 1 1 106 106 GLU HG2 H 1 2.263 0.030 . 1 . . . . 106 GLU HG2 . 11304 1 1258 . 1 1 106 106 GLU HG3 H 1 2.263 0.030 . 1 . . . . 106 GLU HG3 . 11304 1 1259 . 1 1 106 106 GLU C C 13 174.247 0.300 . 1 . . . . 106 GLU C . 11304 1 1260 . 1 1 106 106 GLU CA C 13 53.809 0.300 . 1 . . . . 106 GLU CA . 11304 1 1261 . 1 1 106 106 GLU CB C 13 32.441 0.300 . 1 . . . . 106 GLU CB . 11304 1 1262 . 1 1 106 106 GLU CG C 13 34.867 0.300 . 1 . . . . 106 GLU CG . 11304 1 1263 . 1 1 106 106 GLU N N 15 127.444 0.300 . 1 . . . . 106 GLU N . 11304 1 1264 . 1 1 107 107 ILE H H 1 8.520 0.030 . 1 . . . . 107 ILE H . 11304 1 1265 . 1 1 107 107 ILE HA H 1 5.563 0.030 . 1 . . . . 107 ILE HA . 11304 1 1266 . 1 1 107 107 ILE HB H 1 1.643 0.030 . 1 . . . . 107 ILE HB . 11304 1 1267 . 1 1 107 107 ILE HD11 H 1 0.811 0.030 . 1 . . . . 107 ILE HD1 . 11304 1 1268 . 1 1 107 107 ILE HD12 H 1 0.811 0.030 . 1 . . . . 107 ILE HD1 . 11304 1 1269 . 1 1 107 107 ILE HD13 H 1 0.811 0.030 . 1 . . . . 107 ILE HD1 . 11304 1 1270 . 1 1 107 107 ILE HG12 H 1 1.512 0.030 . 2 . . . . 107 ILE HG12 . 11304 1 1271 . 1 1 107 107 ILE HG13 H 1 1.070 0.030 . 2 . . . . 107 ILE HG13 . 11304 1 1272 . 1 1 107 107 ILE HG21 H 1 0.799 0.030 . 1 . . . . 107 ILE HG2 . 11304 1 1273 . 1 1 107 107 ILE HG22 H 1 0.799 0.030 . 1 . . . . 107 ILE HG2 . 11304 1 1274 . 1 1 107 107 ILE HG23 H 1 0.799 0.030 . 1 . . . . 107 ILE HG2 . 11304 1 1275 . 1 1 107 107 ILE C C 13 176.505 0.300 . 1 . . . . 107 ILE C . 11304 1 1276 . 1 1 107 107 ILE CA C 13 59.235 0.300 . 1 . . . . 107 ILE CA . 11304 1 1277 . 1 1 107 107 ILE CB C 13 41.115 0.300 . 1 . . . . 107 ILE CB . 11304 1 1278 . 1 1 107 107 ILE CD1 C 13 13.594 0.300 . 1 . . . . 107 ILE CD1 . 11304 1 1279 . 1 1 107 107 ILE CG1 C 13 28.178 0.300 . 1 . . . . 107 ILE CG1 . 11304 1 1280 . 1 1 107 107 ILE CG2 C 13 17.757 0.300 . 1 . . . . 107 ILE CG2 . 11304 1 1281 . 1 1 107 107 ILE N N 15 120.862 0.300 . 1 . . . . 107 ILE N . 11304 1 1282 . 1 1 108 108 PHE H H 1 9.022 0.030 . 1 . . . . 108 PHE H . 11304 1 1283 . 1 1 108 108 PHE HA H 1 5.019 0.030 . 1 . . . . 108 PHE HA . 11304 1 1284 . 1 1 108 108 PHE HB2 H 1 3.069 0.030 . 1 . . . . 108 PHE HB2 . 11304 1 1285 . 1 1 108 108 PHE HB3 H 1 3.069 0.030 . 1 . . . . 108 PHE HB3 . 11304 1 1286 . 1 1 108 108 PHE HD1 H 1 6.872 0.030 . 1 . . . . 108 PHE HD1 . 11304 1 1287 . 1 1 108 108 PHE HD2 H 1 6.872 0.030 . 1 . . . . 108 PHE HD2 . 11304 1 1288 . 1 1 108 108 PHE HE1 H 1 6.818 0.030 . 1 . . . . 108 PHE HE1 . 11304 1 1289 . 1 1 108 108 PHE HE2 H 1 6.818 0.030 . 1 . . . . 108 PHE HE2 . 11304 1 1290 . 1 1 108 108 PHE HZ H 1 6.431 0.030 . 1 . . . . 108 PHE HZ . 11304 1 1291 . 1 1 108 108 PHE C C 13 170.931 0.300 . 1 . . . . 108 PHE C . 11304 1 1292 . 1 1 108 108 PHE CA C 13 56.143 0.300 . 1 . . . . 108 PHE CA . 11304 1 1293 . 1 1 108 108 PHE CB C 13 41.943 0.300 . 1 . . . . 108 PHE CB . 11304 1 1294 . 1 1 108 108 PHE CD1 C 13 132.304 0.300 . 1 . . . . 108 PHE CD1 . 11304 1 1295 . 1 1 108 108 PHE CD2 C 13 132.304 0.300 . 1 . . . . 108 PHE CD2 . 11304 1 1296 . 1 1 108 108 PHE CE1 C 13 130.364 0.300 . 1 . . . . 108 PHE CE1 . 11304 1 1297 . 1 1 108 108 PHE CE2 C 13 130.364 0.300 . 1 . . . . 108 PHE CE2 . 11304 1 1298 . 1 1 108 108 PHE CZ C 13 128.493 0.300 . 1 . . . . 108 PHE CZ . 11304 1 1299 . 1 1 108 108 PHE N N 15 122.644 0.300 . 1 . . . . 108 PHE N . 11304 1 1300 . 1 1 109 109 GLN H H 1 8.571 0.030 . 1 . . . . 109 GLN H . 11304 1 1301 . 1 1 109 109 GLN HA H 1 5.543 0.030 . 1 . . . . 109 GLN HA . 11304 1 1302 . 1 1 109 109 GLN HB2 H 1 1.931 0.030 . 2 . . . . 109 GLN HB2 . 11304 1 1303 . 1 1 109 109 GLN HB3 H 1 1.786 0.030 . 2 . . . . 109 GLN HB3 . 11304 1 1304 . 1 1 109 109 GLN HE21 H 1 6.926 0.030 . 2 . . . . 109 GLN HE21 . 11304 1 1305 . 1 1 109 109 GLN HE22 H 1 6.606 0.030 . 2 . . . . 109 GLN HE22 . 11304 1 1306 . 1 1 109 109 GLN HG2 H 1 2.532 0.030 . 2 . . . . 109 GLN HG2 . 11304 1 1307 . 1 1 109 109 GLN HG3 H 1 2.000 0.030 . 2 . . . . 109 GLN HG3 . 11304 1 1308 . 1 1 109 109 GLN C C 13 176.599 0.300 . 1 . . . . 109 GLN C . 11304 1 1309 . 1 1 109 109 GLN CA C 13 53.229 0.300 . 1 . . . . 109 GLN CA . 11304 1 1310 . 1 1 109 109 GLN CB C 13 32.191 0.300 . 1 . . . . 109 GLN CB . 11304 1 1311 . 1 1 109 109 GLN CG C 13 33.102 0.300 . 1 . . . . 109 GLN CG . 11304 1 1312 . 1 1 109 109 GLN N N 15 120.924 0.300 . 1 . . . . 109 GLN N . 11304 1 1313 . 1 1 109 109 GLN NE2 N 15 110.802 0.300 . 1 . . . . 109 GLN NE2 . 11304 1 1314 . 1 1 110 110 THR H H 1 8.918 0.030 . 1 . . . . 110 THR H . 11304 1 1315 . 1 1 110 110 THR HA H 1 4.408 0.030 . 1 . . . . 110 THR HA . 11304 1 1316 . 1 1 110 110 THR HB H 1 4.971 0.030 . 1 . . . . 110 THR HB . 11304 1 1317 . 1 1 110 110 THR HG21 H 1 1.341 0.030 . 1 . . . . 110 THR HG2 . 11304 1 1318 . 1 1 110 110 THR HG22 H 1 1.341 0.030 . 1 . . . . 110 THR HG2 . 11304 1 1319 . 1 1 110 110 THR HG23 H 1 1.341 0.030 . 1 . . . . 110 THR HG2 . 11304 1 1320 . 1 1 110 110 THR C C 13 175.595 0.300 . 1 . . . . 110 THR C . 11304 1 1321 . 1 1 110 110 THR CA C 13 61.683 0.300 . 1 . . . . 110 THR CA . 11304 1 1322 . 1 1 110 110 THR CB C 13 69.786 0.300 . 1 . . . . 110 THR CB . 11304 1 1323 . 1 1 110 110 THR CG2 C 13 25.419 0.300 . 1 . . . . 110 THR CG2 . 11304 1 1324 . 1 1 110 110 THR N N 15 115.243 0.300 . 1 . . . . 110 THR N . 11304 1 1325 . 1 1 111 111 LEU H H 1 7.148 0.030 . 1 . . . . 111 LEU H . 11304 1 1326 . 1 1 111 111 LEU HA H 1 4.423 0.030 . 1 . . . . 111 LEU HA . 11304 1 1327 . 1 1 111 111 LEU HB2 H 1 1.706 0.030 . 2 . . . . 111 LEU HB2 . 11304 1 1328 . 1 1 111 111 LEU HB3 H 1 1.201 0.030 . 2 . . . . 111 LEU HB3 . 11304 1 1329 . 1 1 111 111 LEU HD11 H 1 0.981 0.030 . 1 . . . . 111 LEU HD1 . 11304 1 1330 . 1 1 111 111 LEU HD12 H 1 0.981 0.030 . 1 . . . . 111 LEU HD1 . 11304 1 1331 . 1 1 111 111 LEU HD13 H 1 0.981 0.030 . 1 . . . . 111 LEU HD1 . 11304 1 1332 . 1 1 111 111 LEU HD21 H 1 0.952 0.030 . 1 . . . . 111 LEU HD2 . 11304 1 1333 . 1 1 111 111 LEU HD22 H 1 0.952 0.030 . 1 . . . . 111 LEU HD2 . 11304 1 1334 . 1 1 111 111 LEU HD23 H 1 0.952 0.030 . 1 . . . . 111 LEU HD2 . 11304 1 1335 . 1 1 111 111 LEU HG H 1 1.539 0.030 . 1 . . . . 111 LEU HG . 11304 1 1336 . 1 1 111 111 LEU C C 13 175.571 0.300 . 1 . . . . 111 LEU C . 11304 1 1337 . 1 1 111 111 LEU CA C 13 53.657 0.300 . 1 . . . . 111 LEU CA . 11304 1 1338 . 1 1 111 111 LEU CB C 13 41.123 0.300 . 1 . . . . 111 LEU CB . 11304 1 1339 . 1 1 111 111 LEU CD1 C 13 26.211 0.300 . 2 . . . . 111 LEU CD1 . 11304 1 1340 . 1 1 111 111 LEU CD2 C 13 21.987 0.300 . 2 . . . . 111 LEU CD2 . 11304 1 1341 . 1 1 111 111 LEU CG C 13 27.652 0.300 . 1 . . . . 111 LEU CG . 11304 1 1342 . 1 1 111 111 LEU N N 15 118.246 0.300 . 1 . . . . 111 LEU N . 11304 1 1343 . 1 1 112 112 PRO HA H 1 4.702 0.030 . 1 . . . . 112 PRO HA . 11304 1 1344 . 1 1 112 112 PRO HB2 H 1 2.136 0.030 . 2 . . . . 112 PRO HB2 . 11304 1 1345 . 1 1 112 112 PRO HB3 H 1 1.967 0.030 . 2 . . . . 112 PRO HB3 . 11304 1 1346 . 1 1 112 112 PRO HD2 H 1 3.869 0.030 . 2 . . . . 112 PRO HD2 . 11304 1 1347 . 1 1 112 112 PRO HD3 H 1 3.611 0.030 . 2 . . . . 112 PRO HD3 . 11304 1 1348 . 1 1 112 112 PRO HG2 H 1 2.019 0.030 . 2 . . . . 112 PRO HG2 . 11304 1 1349 . 1 1 112 112 PRO HG3 H 1 1.908 0.030 . 2 . . . . 112 PRO HG3 . 11304 1 1350 . 1 1 112 112 PRO C C 13 177.734 0.300 . 1 . . . . 112 PRO C . 11304 1 1351 . 1 1 112 112 PRO CA C 13 62.074 0.300 . 1 . . . . 112 PRO CA . 11304 1 1352 . 1 1 112 112 PRO CB C 13 32.278 0.300 . 1 . . . . 112 PRO CB . 11304 1 1353 . 1 1 112 112 PRO CD C 13 49.787 0.300 . 1 . . . . 112 PRO CD . 11304 1 1354 . 1 1 112 112 PRO CG C 13 26.848 0.300 . 1 . . . . 112 PRO CG . 11304 1 1355 . 1 1 113 113 VAL H H 1 8.876 0.030 . 1 . . . . 113 VAL H . 11304 1 1356 . 1 1 113 113 VAL HA H 1 3.952 0.030 . 1 . . . . 113 VAL HA . 11304 1 1357 . 1 1 113 113 VAL HB H 1 2.076 0.030 . 1 . . . . 113 VAL HB . 11304 1 1358 . 1 1 113 113 VAL HG11 H 1 0.986 0.030 . 1 . . . . 113 VAL HG1 . 11304 1 1359 . 1 1 113 113 VAL HG12 H 1 0.986 0.030 . 1 . . . . 113 VAL HG1 . 11304 1 1360 . 1 1 113 113 VAL HG13 H 1 0.986 0.030 . 1 . . . . 113 VAL HG1 . 11304 1 1361 . 1 1 113 113 VAL HG21 H 1 0.978 0.030 . 1 . . . . 113 VAL HG2 . 11304 1 1362 . 1 1 113 113 VAL HG22 H 1 0.978 0.030 . 1 . . . . 113 VAL HG2 . 11304 1 1363 . 1 1 113 113 VAL HG23 H 1 0.978 0.030 . 1 . . . . 113 VAL HG2 . 11304 1 1364 . 1 1 113 113 VAL C C 13 176.532 0.300 . 1 . . . . 113 VAL C . 11304 1 1365 . 1 1 113 113 VAL CA C 13 63.567 0.300 . 1 . . . . 113 VAL CA . 11304 1 1366 . 1 1 113 113 VAL CB C 13 32.220 0.300 . 1 . . . . 113 VAL CB . 11304 1 1367 . 1 1 113 113 VAL CG1 C 13 20.939 0.300 . 2 . . . . 113 VAL CG1 . 11304 1 1368 . 1 1 113 113 VAL CG2 C 13 21.205 0.300 . 2 . . . . 113 VAL CG2 . 11304 1 1369 . 1 1 113 113 VAL N N 15 119.303 0.300 . 1 . . . . 113 VAL N . 11304 1 1370 . 1 1 114 114 SER H H 1 8.291 0.030 . 1 . . . . 114 SER H . 11304 1 1371 . 1 1 114 114 SER HA H 1 4.501 0.030 . 1 . . . . 114 SER HA . 11304 1 1372 . 1 1 114 114 SER HB2 H 1 3.849 0.030 . 1 . . . . 114 SER HB2 . 11304 1 1373 . 1 1 114 114 SER HB3 H 1 3.849 0.030 . 1 . . . . 114 SER HB3 . 11304 1 1374 . 1 1 114 114 SER C C 13 174.494 0.300 . 1 . . . . 114 SER C . 11304 1 1375 . 1 1 114 114 SER CA C 13 58.124 0.300 . 1 . . . . 114 SER CA . 11304 1 1376 . 1 1 114 114 SER CB C 13 64.103 0.300 . 1 . . . . 114 SER CB . 11304 1 1377 . 1 1 114 114 SER N N 15 118.883 0.300 . 1 . . . . 114 SER N . 11304 1 1378 . 1 1 115 115 GLY H H 1 8.277 0.030 . 1 . . . . 115 GLY H . 11304 1 1379 . 1 1 115 115 GLY HA2 H 1 4.169 0.030 . 2 . . . . 115 GLY HA2 . 11304 1 1380 . 1 1 115 115 GLY HA3 H 1 4.088 0.030 . 2 . . . . 115 GLY HA3 . 11304 1 1381 . 1 1 115 115 GLY C C 13 171.687 0.300 . 1 . . . . 115 GLY C . 11304 1 1382 . 1 1 115 115 GLY CA C 13 44.678 0.300 . 1 . . . . 115 GLY CA . 11304 1 1383 . 1 1 115 115 GLY N N 15 111.053 0.300 . 1 . . . . 115 GLY N . 11304 1 1384 . 1 1 116 116 PRO HA H 1 4.483 0.030 . 1 . . . . 116 PRO HA . 11304 1 1385 . 1 1 116 116 PRO HB2 H 1 2.301 0.030 . 2 . . . . 116 PRO HB2 . 11304 1 1386 . 1 1 116 116 PRO HB3 H 1 1.973 0.030 . 2 . . . . 116 PRO HB3 . 11304 1 1387 . 1 1 116 116 PRO HD2 H 1 3.629 0.030 . 1 . . . . 116 PRO HD2 . 11304 1 1388 . 1 1 116 116 PRO HD3 H 1 3.629 0.030 . 1 . . . . 116 PRO HD3 . 11304 1 1389 . 1 1 116 116 PRO HG2 H 1 2.021 0.030 . 1 . . . . 116 PRO HG2 . 11304 1 1390 . 1 1 116 116 PRO HG3 H 1 2.021 0.030 . 1 . . . . 116 PRO HG3 . 11304 1 1391 . 1 1 116 116 PRO CA C 13 63.259 0.300 . 1 . . . . 116 PRO CA . 11304 1 1392 . 1 1 116 116 PRO CB C 13 32.267 0.300 . 1 . . . . 116 PRO CB . 11304 1 1393 . 1 1 116 116 PRO CD C 13 49.794 0.300 . 1 . . . . 116 PRO CD . 11304 1 1394 . 1 1 116 116 PRO CG C 13 27.186 0.300 . 1 . . . . 116 PRO CG . 11304 1 stop_ save_