data_10270 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10270 _Entry.Title ; Solution structures of the fn3 domain of human contactin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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. Sato . . . 10270 2 N. Tochio . . . 10270 3 S. Koshiba . . . 10270 4 M. Inoue . . . 10270 5 T. Kigawa . . . 10270 6 S. Yokoyama . . . 10270 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 10270 '15N chemical shifts' 119 10270 '1H chemical shifts' 755 10270 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 . . 2009-12-14 2008-12-15 original author . 10270 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE2 'BMRB Entry Tracking System' 10270 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10270 _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 structures of the fn3 domain of human contactin 1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10270 1 2 N. Tochio . . . 10270 1 3 S. Koshiba . . . 10270 1 4 M. Inoue . . . 10270 1 5 T. Kigawa . . . 10270 1 6 S. Yokoyama . . . 10270 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10270 _Assembly.ID 1 _Assembly.Name Contactin-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fibronectin type III domain' 1 $entity_1 . . yes native no no . . . 10270 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 . PDB 2EE2 . . . . . . 10270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10270 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVAVINSAQDAPSE APTEVGVKVLSSSEISVHWE HVLEKIVESYQIRYWAAHDK EEAANRVQVTSQEYSARLEN LLPDTQYFIEVGACNSAGCG PPSDMIEAFTKKASGPSSG ; _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2EE2 . "Solution Structures Of The Fn3 Domain Of Human Contactin 1" . . . . . 100.00 119 100.00 100.00 4.76e-80 . . . . 10270 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' . 10270 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 . 10270 1 2 . SER . 10270 1 3 . SER . 10270 1 4 . GLY . 10270 1 5 . SER . 10270 1 6 . SER . 10270 1 7 . GLY . 10270 1 8 . VAL . 10270 1 9 . ALA . 10270 1 10 . VAL . 10270 1 11 . ILE . 10270 1 12 . ASN . 10270 1 13 . SER . 10270 1 14 . ALA . 10270 1 15 . GLN . 10270 1 16 . ASP . 10270 1 17 . ALA . 10270 1 18 . PRO . 10270 1 19 . SER . 10270 1 20 . GLU . 10270 1 21 . ALA . 10270 1 22 . PRO . 10270 1 23 . THR . 10270 1 24 . GLU . 10270 1 25 . VAL . 10270 1 26 . GLY . 10270 1 27 . VAL . 10270 1 28 . LYS . 10270 1 29 . VAL . 10270 1 30 . LEU . 10270 1 31 . SER . 10270 1 32 . SER . 10270 1 33 . SER . 10270 1 34 . GLU . 10270 1 35 . ILE . 10270 1 36 . SER . 10270 1 37 . VAL . 10270 1 38 . HIS . 10270 1 39 . TRP . 10270 1 40 . GLU . 10270 1 41 . HIS . 10270 1 42 . VAL . 10270 1 43 . LEU . 10270 1 44 . GLU . 10270 1 45 . LYS . 10270 1 46 . ILE . 10270 1 47 . VAL . 10270 1 48 . GLU . 10270 1 49 . SER . 10270 1 50 . TYR . 10270 1 51 . GLN . 10270 1 52 . ILE . 10270 1 53 . ARG . 10270 1 54 . TYR . 10270 1 55 . TRP . 10270 1 56 . ALA . 10270 1 57 . ALA . 10270 1 58 . HIS . 10270 1 59 . ASP . 10270 1 60 . LYS . 10270 1 61 . GLU . 10270 1 62 . GLU . 10270 1 63 . ALA . 10270 1 64 . ALA . 10270 1 65 . ASN . 10270 1 66 . ARG . 10270 1 67 . VAL . 10270 1 68 . GLN . 10270 1 69 . VAL . 10270 1 70 . THR . 10270 1 71 . SER . 10270 1 72 . GLN . 10270 1 73 . GLU . 10270 1 74 . TYR . 10270 1 75 . SER . 10270 1 76 . ALA . 10270 1 77 . ARG . 10270 1 78 . LEU . 10270 1 79 . GLU . 10270 1 80 . ASN . 10270 1 81 . LEU . 10270 1 82 . LEU . 10270 1 83 . PRO . 10270 1 84 . ASP . 10270 1 85 . THR . 10270 1 86 . GLN . 10270 1 87 . TYR . 10270 1 88 . PHE . 10270 1 89 . ILE . 10270 1 90 . GLU . 10270 1 91 . VAL . 10270 1 92 . GLY . 10270 1 93 . ALA . 10270 1 94 . CYS . 10270 1 95 . ASN . 10270 1 96 . SER . 10270 1 97 . ALA . 10270 1 98 . GLY . 10270 1 99 . CYS . 10270 1 100 . GLY . 10270 1 101 . PRO . 10270 1 102 . PRO . 10270 1 103 . SER . 10270 1 104 . ASP . 10270 1 105 . MET . 10270 1 106 . ILE . 10270 1 107 . GLU . 10270 1 108 . ALA . 10270 1 109 . PHE . 10270 1 110 . THR . 10270 1 111 . LYS . 10270 1 112 . LYS . 10270 1 113 . ALA . 10270 1 114 . SER . 10270 1 115 . GLY . 10270 1 116 . PRO . 10270 1 117 . SER . 10270 1 118 . SER . 10270 1 119 . GLY . 10270 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 10270 1 . SER 2 2 10270 1 . SER 3 3 10270 1 . GLY 4 4 10270 1 . SER 5 5 10270 1 . SER 6 6 10270 1 . GLY 7 7 10270 1 . VAL 8 8 10270 1 . ALA 9 9 10270 1 . VAL 10 10 10270 1 . ILE 11 11 10270 1 . ASN 12 12 10270 1 . SER 13 13 10270 1 . ALA 14 14 10270 1 . GLN 15 15 10270 1 . ASP 16 16 10270 1 . ALA 17 17 10270 1 . PRO 18 18 10270 1 . SER 19 19 10270 1 . GLU 20 20 10270 1 . ALA 21 21 10270 1 . PRO 22 22 10270 1 . THR 23 23 10270 1 . GLU 24 24 10270 1 . VAL 25 25 10270 1 . GLY 26 26 10270 1 . VAL 27 27 10270 1 . LYS 28 28 10270 1 . VAL 29 29 10270 1 . LEU 30 30 10270 1 . SER 31 31 10270 1 . SER 32 32 10270 1 . SER 33 33 10270 1 . GLU 34 34 10270 1 . ILE 35 35 10270 1 . SER 36 36 10270 1 . VAL 37 37 10270 1 . HIS 38 38 10270 1 . TRP 39 39 10270 1 . GLU 40 40 10270 1 . HIS 41 41 10270 1 . VAL 42 42 10270 1 . LEU 43 43 10270 1 . GLU 44 44 10270 1 . LYS 45 45 10270 1 . ILE 46 46 10270 1 . VAL 47 47 10270 1 . GLU 48 48 10270 1 . SER 49 49 10270 1 . TYR 50 50 10270 1 . GLN 51 51 10270 1 . ILE 52 52 10270 1 . ARG 53 53 10270 1 . TYR 54 54 10270 1 . TRP 55 55 10270 1 . ALA 56 56 10270 1 . ALA 57 57 10270 1 . HIS 58 58 10270 1 . ASP 59 59 10270 1 . LYS 60 60 10270 1 . GLU 61 61 10270 1 . GLU 62 62 10270 1 . ALA 63 63 10270 1 . ALA 64 64 10270 1 . ASN 65 65 10270 1 . ARG 66 66 10270 1 . VAL 67 67 10270 1 . GLN 68 68 10270 1 . VAL 69 69 10270 1 . THR 70 70 10270 1 . SER 71 71 10270 1 . GLN 72 72 10270 1 . GLU 73 73 10270 1 . TYR 74 74 10270 1 . SER 75 75 10270 1 . ALA 76 76 10270 1 . ARG 77 77 10270 1 . LEU 78 78 10270 1 . GLU 79 79 10270 1 . ASN 80 80 10270 1 . LEU 81 81 10270 1 . LEU 82 82 10270 1 . PRO 83 83 10270 1 . ASP 84 84 10270 1 . THR 85 85 10270 1 . GLN 86 86 10270 1 . TYR 87 87 10270 1 . PHE 88 88 10270 1 . ILE 89 89 10270 1 . GLU 90 90 10270 1 . VAL 91 91 10270 1 . GLY 92 92 10270 1 . ALA 93 93 10270 1 . CYS 94 94 10270 1 . ASN 95 95 10270 1 . SER 96 96 10270 1 . ALA 97 97 10270 1 . GLY 98 98 10270 1 . CYS 99 99 10270 1 . GLY 100 100 10270 1 . PRO 101 101 10270 1 . PRO 102 102 10270 1 . SER 103 103 10270 1 . ASP 104 104 10270 1 . MET 105 105 10270 1 . ILE 106 106 10270 1 . GLU 107 107 10270 1 . ALA 108 108 10270 1 . PHE 109 109 10270 1 . THR 110 110 10270 1 . LYS 111 111 10270 1 . LYS 112 112 10270 1 . ALA 113 113 10270 1 . SER 114 114 10270 1 . GLY 115 115 10270 1 . PRO 116 116 10270 1 . SER 117 117 10270 1 . SER 118 118 10270 1 . GLY 119 119 10270 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 10270 _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 . . . . . . . . . . . . . . . . . . . . . 10270 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 10270 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P050711-22 . . . . . . 10270 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10270 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10270 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10270 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10270 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10270 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10270 1 6 H2O . . . . . . solvent 90 . . % . . . . 10270 1 7 D2O . . . . . . solvent 10 . . % . . . . 10270 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 10270 _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 10270 1 pH 7.0 0.05 pH 10270 1 pressure 1 0.001 atm 10270 1 temperature 296 0.1 K 10270 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10270 _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 . . 10270 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10270 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10270 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10270 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10270 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10270 _Software.ID 3 _Software.Name NMRView _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10270 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10270 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10270 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10270 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10270 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10270 _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.' . . 10270 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10270 5 'structure solution' 10270 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 10270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10270 _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 . 900 . . . 10270 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 10270 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10270 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10270 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 10270 _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 . . . . . . . . . 10270 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10270 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10270 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 10270 _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 13C-separated NOESY' 1 $sample_1 isotropic 10270 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10270 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 1 1 GLY H H 1 9.967 0.030 . 1 . . . . 1 GLY H . 10270 1 2 . 1 1 1 1 GLY HA2 H 1 4.583 0.030 . 2 . . . . 1 GLY HA2 . 10270 1 3 . 1 1 1 1 GLY HA3 H 1 3.644 0.030 . 2 . . . . 1 GLY HA3 . 10270 1 4 . 1 1 1 1 GLY CA C 13 43.301 0.300 . 1 . . . . 1 GLY CA . 10270 1 5 . 1 1 1 1 GLY N N 15 125.711 0.300 . 1 . . . . 1 GLY N . 10270 1 6 . 1 1 4 4 GLY H H 1 8.507 0.030 . 1 . . . . 4 GLY H . 10270 1 7 . 1 1 4 4 GLY HA2 H 1 4.513 0.030 . 2 . . . . 4 GLY HA2 . 10270 1 8 . 1 1 4 4 GLY HA3 H 1 3.859 0.030 . 2 . . . . 4 GLY HA3 . 10270 1 9 . 1 1 4 4 GLY CA C 13 44.199 0.300 . 1 . . . . 4 GLY CA . 10270 1 10 . 1 1 4 4 GLY N N 15 116.148 0.300 . 1 . . . . 4 GLY N . 10270 1 11 . 1 1 6 6 SER HA H 1 4.472 0.030 . 1 . . . . 6 SER HA . 10270 1 12 . 1 1 6 6 SER HB2 H 1 3.889 0.030 . 2 . . . . 6 SER HB2 . 10270 1 13 . 1 1 6 6 SER C C 13 174.998 0.300 . 1 . . . . 6 SER C . 10270 1 14 . 1 1 6 6 SER CA C 13 58.657 0.300 . 1 . . . . 6 SER CA . 10270 1 15 . 1 1 6 6 SER CB C 13 64.025 0.300 . 1 . . . . 6 SER CB . 10270 1 16 . 1 1 7 7 GLY H H 1 8.399 0.030 . 1 . . . . 7 GLY H . 10270 1 17 . 1 1 7 7 GLY HA2 H 1 3.963 0.030 . 1 . . . . 7 GLY HA2 . 10270 1 18 . 1 1 7 7 GLY HA3 H 1 3.963 0.030 . 1 . . . . 7 GLY HA3 . 10270 1 19 . 1 1 7 7 GLY C C 13 173.942 0.300 . 1 . . . . 7 GLY C . 10270 1 20 . 1 1 7 7 GLY CA C 13 45.332 0.300 . 1 . . . . 7 GLY CA . 10270 1 21 . 1 1 7 7 GLY N N 15 110.856 0.300 . 1 . . . . 7 GLY N . 10270 1 22 . 1 1 8 8 VAL H H 1 7.919 0.030 . 1 . . . . 8 VAL H . 10270 1 23 . 1 1 8 8 VAL HA H 1 4.101 0.030 . 1 . . . . 8 VAL HA . 10270 1 24 . 1 1 8 8 VAL HB H 1 2.040 0.030 . 1 . . . . 8 VAL HB . 10270 1 25 . 1 1 8 8 VAL HG11 H 1 0.912 0.030 . 1 . . . . 8 VAL HG1 . 10270 1 26 . 1 1 8 8 VAL HG12 H 1 0.912 0.030 . 1 . . . . 8 VAL HG1 . 10270 1 27 . 1 1 8 8 VAL HG13 H 1 0.912 0.030 . 1 . . . . 8 VAL HG1 . 10270 1 28 . 1 1 8 8 VAL HG21 H 1 0.913 0.030 . 1 . . . . 8 VAL HG2 . 10270 1 29 . 1 1 8 8 VAL HG22 H 1 0.913 0.030 . 1 . . . . 8 VAL HG2 . 10270 1 30 . 1 1 8 8 VAL HG23 H 1 0.913 0.030 . 1 . . . . 8 VAL HG2 . 10270 1 31 . 1 1 8 8 VAL C C 13 175.827 0.300 . 1 . . . . 8 VAL C . 10270 1 32 . 1 1 8 8 VAL CA C 13 61.987 0.300 . 1 . . . . 8 VAL CA . 10270 1 33 . 1 1 8 8 VAL CB C 13 32.786 0.300 . 1 . . . . 8 VAL CB . 10270 1 34 . 1 1 8 8 VAL CG1 C 13 21.151 0.300 . 2 . . . . 8 VAL CG1 . 10270 1 35 . 1 1 8 8 VAL CG2 C 13 20.710 0.300 . 2 . . . . 8 VAL CG2 . 10270 1 36 . 1 1 8 8 VAL N N 15 119.305 0.300 . 1 . . . . 8 VAL N . 10270 1 37 . 1 1 9 9 ALA H H 1 8.367 0.030 . 1 . . . . 9 ALA H . 10270 1 38 . 1 1 9 9 ALA HA H 1 4.329 0.030 . 1 . . . . 9 ALA HA . 10270 1 39 . 1 1 9 9 ALA HB1 H 1 1.341 0.030 . 1 . . . . 9 ALA HB . 10270 1 40 . 1 1 9 9 ALA HB2 H 1 1.341 0.030 . 1 . . . . 9 ALA HB . 10270 1 41 . 1 1 9 9 ALA HB3 H 1 1.341 0.030 . 1 . . . . 9 ALA HB . 10270 1 42 . 1 1 9 9 ALA C C 13 177.422 0.300 . 1 . . . . 9 ALA C . 10270 1 43 . 1 1 9 9 ALA CA C 13 52.399 0.300 . 1 . . . . 9 ALA CA . 10270 1 44 . 1 1 9 9 ALA CB C 13 19.317 0.300 . 1 . . . . 9 ALA CB . 10270 1 45 . 1 1 9 9 ALA N N 15 128.175 0.300 . 1 . . . . 9 ALA N . 10270 1 46 . 1 1 10 10 VAL H H 1 8.154 0.030 . 1 . . . . 10 VAL H . 10270 1 47 . 1 1 10 10 VAL HA H 1 4.046 0.030 . 1 . . . . 10 VAL HA . 10270 1 48 . 1 1 10 10 VAL HB H 1 1.998 0.030 . 1 . . . . 10 VAL HB . 10270 1 49 . 1 1 10 10 VAL HG11 H 1 0.880 0.030 . 1 . . . . 10 VAL HG1 . 10270 1 50 . 1 1 10 10 VAL HG12 H 1 0.880 0.030 . 1 . . . . 10 VAL HG1 . 10270 1 51 . 1 1 10 10 VAL HG13 H 1 0.880 0.030 . 1 . . . . 10 VAL HG1 . 10270 1 52 . 1 1 10 10 VAL HG21 H 1 0.879 0.030 . 1 . . . . 10 VAL HG2 . 10270 1 53 . 1 1 10 10 VAL HG22 H 1 0.879 0.030 . 1 . . . . 10 VAL HG2 . 10270 1 54 . 1 1 10 10 VAL HG23 H 1 0.879 0.030 . 1 . . . . 10 VAL HG2 . 10270 1 55 . 1 1 10 10 VAL C C 13 176.076 0.300 . 1 . . . . 10 VAL C . 10270 1 56 . 1 1 10 10 VAL CA C 13 62.288 0.300 . 1 . . . . 10 VAL CA . 10270 1 57 . 1 1 10 10 VAL CB C 13 32.786 0.300 . 1 . . . . 10 VAL CB . 10270 1 58 . 1 1 10 10 VAL CG1 C 13 21.173 0.300 . 2 . . . . 10 VAL CG1 . 10270 1 59 . 1 1 10 10 VAL CG2 C 13 20.317 0.300 . 2 . . . . 10 VAL CG2 . 10270 1 60 . 1 1 10 10 VAL N N 15 120.641 0.300 . 1 . . . . 10 VAL N . 10270 1 61 . 1 1 11 11 ILE H H 1 8.261 0.030 . 1 . . . . 11 ILE H . 10270 1 62 . 1 1 11 11 ILE HA H 1 4.148 0.030 . 1 . . . . 11 ILE HA . 10270 1 63 . 1 1 11 11 ILE HB H 1 1.812 0.030 . 1 . . . . 11 ILE HB . 10270 1 64 . 1 1 11 11 ILE HD11 H 1 0.821 0.030 . 1 . . . . 11 ILE HD1 . 10270 1 65 . 1 1 11 11 ILE HD12 H 1 0.821 0.030 . 1 . . . . 11 ILE HD1 . 10270 1 66 . 1 1 11 11 ILE HD13 H 1 0.821 0.030 . 1 . . . . 11 ILE HD1 . 10270 1 67 . 1 1 11 11 ILE HG12 H 1 1.431 0.030 . 2 . . . . 11 ILE HG12 . 10270 1 68 . 1 1 11 11 ILE HG13 H 1 1.147 0.030 . 2 . . . . 11 ILE HG13 . 10270 1 69 . 1 1 11 11 ILE HG21 H 1 0.860 0.030 . 1 . . . . 11 ILE HG2 . 10270 1 70 . 1 1 11 11 ILE HG22 H 1 0.860 0.030 . 1 . . . . 11 ILE HG2 . 10270 1 71 . 1 1 11 11 ILE HG23 H 1 0.860 0.030 . 1 . . . . 11 ILE HG2 . 10270 1 72 . 1 1 11 11 ILE C C 13 175.857 0.300 . 1 . . . . 11 ILE C . 10270 1 73 . 1 1 11 11 ILE CA C 13 60.842 0.300 . 1 . . . . 11 ILE CA . 10270 1 74 . 1 1 11 11 ILE CB C 13 38.776 0.300 . 1 . . . . 11 ILE CB . 10270 1 75 . 1 1 11 11 ILE CD1 C 13 12.808 0.300 . 1 . . . . 11 ILE CD1 . 10270 1 76 . 1 1 11 11 ILE CG1 C 13 27.217 0.300 . 1 . . . . 11 ILE CG1 . 10270 1 77 . 1 1 11 11 ILE CG2 C 13 17.421 0.300 . 1 . . . . 11 ILE CG2 . 10270 1 78 . 1 1 11 11 ILE N N 15 125.253 0.300 . 1 . . . . 11 ILE N . 10270 1 79 . 1 1 12 12 ASN H H 1 8.575 0.030 . 1 . . . . 12 ASN H . 10270 1 80 . 1 1 12 12 ASN HA H 1 4.737 0.030 . 1 . . . . 12 ASN HA . 10270 1 81 . 1 1 12 12 ASN HB2 H 1 2.821 0.030 . 2 . . . . 12 ASN HB2 . 10270 1 82 . 1 1 12 12 ASN HB3 H 1 2.710 0.030 . 2 . . . . 12 ASN HB3 . 10270 1 83 . 1 1 12 12 ASN HD21 H 1 7.603 0.030 . 2 . . . . 12 ASN HD21 . 10270 1 84 . 1 1 12 12 ASN HD22 H 1 6.896 0.030 . 2 . . . . 12 ASN HD22 . 10270 1 85 . 1 1 12 12 ASN C C 13 175.004 0.300 . 1 . . . . 12 ASN C . 10270 1 86 . 1 1 12 12 ASN CA C 13 53.087 0.300 . 1 . . . . 12 ASN CA . 10270 1 87 . 1 1 12 12 ASN CB C 13 39.076 0.300 . 1 . . . . 12 ASN CB . 10270 1 88 . 1 1 12 12 ASN N N 15 123.538 0.300 . 1 . . . . 12 ASN N . 10270 1 89 . 1 1 12 12 ASN ND2 N 15 112.751 0.300 . 1 . . . . 12 ASN ND2 . 10270 1 90 . 1 1 13 13 SER H H 1 8.317 0.030 . 1 . . . . 13 SER H . 10270 1 91 . 1 1 13 13 SER HA H 1 4.373 0.030 . 1 . . . . 13 SER HA . 10270 1 92 . 1 1 13 13 SER HB2 H 1 3.845 0.030 . 2 . . . . 13 SER HB2 . 10270 1 93 . 1 1 13 13 SER HB3 H 1 3.793 0.030 . 2 . . . . 13 SER HB3 . 10270 1 94 . 1 1 13 13 SER C C 13 174.118 0.300 . 1 . . . . 13 SER C . 10270 1 95 . 1 1 13 13 SER CA C 13 58.375 0.300 . 1 . . . . 13 SER CA . 10270 1 96 . 1 1 13 13 SER CB C 13 63.866 0.300 . 1 . . . . 13 SER CB . 10270 1 97 . 1 1 13 13 SER N N 15 116.982 0.300 . 1 . . . . 13 SER N . 10270 1 98 . 1 1 14 14 ALA H H 1 8.317 0.030 . 1 . . . . 14 ALA H . 10270 1 99 . 1 1 14 14 ALA HA H 1 4.285 0.030 . 1 . . . . 14 ALA HA . 10270 1 100 . 1 1 14 14 ALA HB1 H 1 1.341 0.030 . 1 . . . . 14 ALA HB . 10270 1 101 . 1 1 14 14 ALA HB2 H 1 1.341 0.030 . 1 . . . . 14 ALA HB . 10270 1 102 . 1 1 14 14 ALA HB3 H 1 1.341 0.030 . 1 . . . . 14 ALA HB . 10270 1 103 . 1 1 14 14 ALA C C 13 177.298 0.300 . 1 . . . . 14 ALA C . 10270 1 104 . 1 1 14 14 ALA CA C 13 52.628 0.300 . 1 . . . . 14 ALA CA . 10270 1 105 . 1 1 14 14 ALA CB C 13 19.192 0.300 . 1 . . . . 14 ALA CB . 10270 1 106 . 1 1 14 14 ALA N N 15 125.606 0.300 . 1 . . . . 14 ALA N . 10270 1 107 . 1 1 15 15 GLN H H 1 8.221 0.030 . 1 . . . . 15 GLN H . 10270 1 108 . 1 1 15 15 GLN HA H 1 4.237 0.030 . 1 . . . . 15 GLN HA . 10270 1 109 . 1 1 15 15 GLN HB2 H 1 2.022 0.030 . 2 . . . . 15 GLN HB2 . 10270 1 110 . 1 1 15 15 GLN HB3 H 1 1.894 0.030 . 2 . . . . 15 GLN HB3 . 10270 1 111 . 1 1 15 15 GLN HE21 H 1 7.457 0.030 . 2 . . . . 15 GLN HE21 . 10270 1 112 . 1 1 15 15 GLN HE22 H 1 6.825 0.030 . 2 . . . . 15 GLN HE22 . 10270 1 113 . 1 1 15 15 GLN HG2 H 1 2.280 0.030 . 1 . . . . 15 GLN HG2 . 10270 1 114 . 1 1 15 15 GLN HG3 H 1 2.280 0.030 . 1 . . . . 15 GLN HG3 . 10270 1 115 . 1 1 15 15 GLN C C 13 174.741 0.300 . 1 . . . . 15 GLN C . 10270 1 116 . 1 1 15 15 GLN CA C 13 55.925 0.300 . 1 . . . . 15 GLN CA . 10270 1 117 . 1 1 15 15 GLN CB C 13 29.990 0.300 . 1 . . . . 15 GLN CB . 10270 1 118 . 1 1 15 15 GLN CG C 13 33.816 0.300 . 1 . . . . 15 GLN CG . 10270 1 119 . 1 1 15 15 GLN N N 15 119.248 0.300 . 1 . . . . 15 GLN N . 10270 1 120 . 1 1 15 15 GLN NE2 N 15 112.443 0.300 . 1 . . . . 15 GLN NE2 . 10270 1 121 . 1 1 16 16 ASP H H 1 7.898 0.030 . 1 . . . . 16 ASP H . 10270 1 122 . 1 1 16 16 ASP HA H 1 4.714 0.030 . 1 . . . . 16 ASP HA . 10270 1 123 . 1 1 16 16 ASP HB2 H 1 2.637 0.030 . 2 . . . . 16 ASP HB2 . 10270 1 124 . 1 1 16 16 ASP HB3 H 1 2.360 0.030 . 2 . . . . 16 ASP HB3 . 10270 1 125 . 1 1 16 16 ASP C C 13 175.219 0.300 . 1 . . . . 16 ASP C . 10270 1 126 . 1 1 16 16 ASP CA C 13 53.387 0.300 . 1 . . . . 16 ASP CA . 10270 1 127 . 1 1 16 16 ASP CB C 13 42.771 0.300 . 1 . . . . 16 ASP CB . 10270 1 128 . 1 1 16 16 ASP N N 15 119.674 0.300 . 1 . . . . 16 ASP N . 10270 1 129 . 1 1 17 17 ALA H H 1 8.256 0.030 . 1 . . . . 17 ALA H . 10270 1 130 . 1 1 17 17 ALA HA H 1 4.549 0.030 . 1 . . . . 17 ALA HA . 10270 1 131 . 1 1 17 17 ALA HB1 H 1 0.924 0.030 . 1 . . . . 17 ALA HB . 10270 1 132 . 1 1 17 17 ALA HB2 H 1 0.924 0.030 . 1 . . . . 17 ALA HB . 10270 1 133 . 1 1 17 17 ALA HB3 H 1 0.924 0.030 . 1 . . . . 17 ALA HB . 10270 1 134 . 1 1 17 17 ALA C C 13 174.226 0.300 . 1 . . . . 17 ALA C . 10270 1 135 . 1 1 17 17 ALA CA C 13 50.514 0.300 . 1 . . . . 17 ALA CA . 10270 1 136 . 1 1 17 17 ALA CB C 13 16.689 0.300 . 1 . . . . 17 ALA CB . 10270 1 137 . 1 1 17 17 ALA N N 15 123.830 0.300 . 1 . . . . 17 ALA N . 10270 1 138 . 1 1 18 18 PRO HA H 1 4.247 0.030 . 1 . . . . 18 PRO HA . 10270 1 139 . 1 1 18 18 PRO HB2 H 1 2.295 0.030 . 2 . . . . 18 PRO HB2 . 10270 1 140 . 1 1 18 18 PRO HB3 H 1 1.589 0.030 . 2 . . . . 18 PRO HB3 . 10270 1 141 . 1 1 18 18 PRO HD2 H 1 3.667 0.030 . 2 . . . . 18 PRO HD2 . 10270 1 142 . 1 1 18 18 PRO HD3 H 1 3.076 0.030 . 2 . . . . 18 PRO HD3 . 10270 1 143 . 1 1 18 18 PRO HG2 H 1 1.575 0.030 . 2 . . . . 18 PRO HG2 . 10270 1 144 . 1 1 18 18 PRO HG3 H 1 1.434 0.030 . 2 . . . . 18 PRO HG3 . 10270 1 145 . 1 1 18 18 PRO CA C 13 63.135 0.300 . 1 . . . . 18 PRO CA . 10270 1 146 . 1 1 18 18 PRO CB C 13 31.866 0.300 . 1 . . . . 18 PRO CB . 10270 1 147 . 1 1 18 18 PRO CD C 13 50.329 0.300 . 1 . . . . 18 PRO CD . 10270 1 148 . 1 1 18 18 PRO CG C 13 28.500 0.300 . 1 . . . . 18 PRO CG . 10270 1 149 . 1 1 19 19 SER HA H 1 4.524 0.030 . 1 . . . . 19 SER HA . 10270 1 150 . 1 1 19 19 SER HB2 H 1 4.003 0.030 . 2 . . . . 19 SER HB2 . 10270 1 151 . 1 1 19 19 SER HB3 H 1 3.807 0.030 . 2 . . . . 19 SER HB3 . 10270 1 152 . 1 1 19 19 SER C C 13 173.934 0.300 . 1 . . . . 19 SER C . 10270 1 153 . 1 1 19 19 SER CA C 13 58.657 0.300 . 1 . . . . 19 SER CA . 10270 1 154 . 1 1 19 19 SER CB C 13 65.246 0.300 . 1 . . . . 19 SER CB . 10270 1 155 . 1 1 20 20 GLU H H 1 7.589 0.030 . 1 . . . . 20 GLU H . 10270 1 156 . 1 1 20 20 GLU HA H 1 4.604 0.030 . 1 . . . . 20 GLU HA . 10270 1 157 . 1 1 20 20 GLU HB2 H 1 2.034 0.030 . 2 . . . . 20 GLU HB2 . 10270 1 158 . 1 1 20 20 GLU HB3 H 1 1.821 0.030 . 2 . . . . 20 GLU HB3 . 10270 1 159 . 1 1 20 20 GLU HG2 H 1 2.275 0.030 . 2 . . . . 20 GLU HG2 . 10270 1 160 . 1 1 20 20 GLU HG3 H 1 2.205 0.030 . 2 . . . . 20 GLU HG3 . 10270 1 161 . 1 1 20 20 GLU C C 13 175.082 0.300 . 1 . . . . 20 GLU C . 10270 1 162 . 1 1 20 20 GLU CA C 13 54.762 0.300 . 1 . . . . 20 GLU CA . 10270 1 163 . 1 1 20 20 GLU CB C 13 33.405 0.300 . 1 . . . . 20 GLU CB . 10270 1 164 . 1 1 20 20 GLU CG C 13 36.265 0.300 . 1 . . . . 20 GLU CG . 10270 1 165 . 1 1 20 20 GLU N N 15 121.739 0.300 . 1 . . . . 20 GLU N . 10270 1 166 . 1 1 21 21 ALA H H 1 8.564 0.030 . 1 . . . . 21 ALA H . 10270 1 167 . 1 1 21 21 ALA HA H 1 4.995 0.030 . 1 . . . . 21 ALA HA . 10270 1 168 . 1 1 21 21 ALA HB1 H 1 1.150 0.030 . 1 . . . . 21 ALA HB . 10270 1 169 . 1 1 21 21 ALA HB2 H 1 1.150 0.030 . 1 . . . . 21 ALA HB . 10270 1 170 . 1 1 21 21 ALA HB3 H 1 1.150 0.030 . 1 . . . . 21 ALA HB . 10270 1 171 . 1 1 21 21 ALA C C 13 175.731 0.300 . 1 . . . . 21 ALA C . 10270 1 172 . 1 1 21 21 ALA CA C 13 49.341 0.300 . 1 . . . . 21 ALA CA . 10270 1 173 . 1 1 21 21 ALA CB C 13 19.388 0.300 . 1 . . . . 21 ALA CB . 10270 1 174 . 1 1 21 21 ALA N N 15 125.054 0.300 . 1 . . . . 21 ALA N . 10270 1 175 . 1 1 22 22 PRO HA H 1 4.529 0.030 . 1 . . . . 22 PRO HA . 10270 1 176 . 1 1 22 22 PRO HB2 H 1 2.497 0.030 . 2 . . . . 22 PRO HB2 . 10270 1 177 . 1 1 22 22 PRO HB3 H 1 1.661 0.030 . 2 . . . . 22 PRO HB3 . 10270 1 178 . 1 1 22 22 PRO HD2 H 1 4.121 0.030 . 2 . . . . 22 PRO HD2 . 10270 1 179 . 1 1 22 22 PRO HD3 H 1 3.692 0.030 . 2 . . . . 22 PRO HD3 . 10270 1 180 . 1 1 22 22 PRO HG2 H 1 1.664 0.030 . 2 . . . . 22 PRO HG2 . 10270 1 181 . 1 1 22 22 PRO HG3 H 1 1.631 0.030 . 2 . . . . 22 PRO HG3 . 10270 1 182 . 1 1 22 22 PRO C C 13 174.830 0.300 . 1 . . . . 22 PRO C . 10270 1 183 . 1 1 22 22 PRO CA C 13 63.076 0.300 . 1 . . . . 22 PRO CA . 10270 1 184 . 1 1 22 22 PRO CB C 13 32.294 0.300 . 1 . . . . 22 PRO CB . 10270 1 185 . 1 1 22 22 PRO CD C 13 50.418 0.300 . 1 . . . . 22 PRO CD . 10270 1 186 . 1 1 22 22 PRO CG C 13 28.085 0.300 . 1 . . . . 22 PRO CG . 10270 1 187 . 1 1 23 23 THR H H 1 7.442 0.030 . 1 . . . . 23 THR H . 10270 1 188 . 1 1 23 23 THR HA H 1 4.663 0.030 . 1 . . . . 23 THR HA . 10270 1 189 . 1 1 23 23 THR HB H 1 4.420 0.030 . 1 . . . . 23 THR HB . 10270 1 190 . 1 1 23 23 THR HG21 H 1 1.297 0.030 . 1 . . . . 23 THR HG2 . 10270 1 191 . 1 1 23 23 THR HG22 H 1 1.297 0.030 . 1 . . . . 23 THR HG2 . 10270 1 192 . 1 1 23 23 THR HG23 H 1 1.297 0.030 . 1 . . . . 23 THR HG2 . 10270 1 193 . 1 1 23 23 THR C C 13 172.878 0.300 . 1 . . . . 23 THR C . 10270 1 194 . 1 1 23 23 THR CA C 13 59.961 0.300 . 1 . . . . 23 THR CA . 10270 1 195 . 1 1 23 23 THR CB C 13 72.337 0.300 . 1 . . . . 23 THR CB . 10270 1 196 . 1 1 23 23 THR CG2 C 13 22.213 0.300 . 1 . . . . 23 THR CG2 . 10270 1 197 . 1 1 23 23 THR N N 15 109.039 0.300 . 1 . . . . 23 THR N . 10270 1 198 . 1 1 24 24 GLU H H 1 8.782 0.030 . 1 . . . . 24 GLU H . 10270 1 199 . 1 1 24 24 GLU HA H 1 3.911 0.030 . 1 . . . . 24 GLU HA . 10270 1 200 . 1 1 24 24 GLU HB2 H 1 2.161 0.030 . 2 . . . . 24 GLU HB2 . 10270 1 201 . 1 1 24 24 GLU HB3 H 1 1.970 0.030 . 2 . . . . 24 GLU HB3 . 10270 1 202 . 1 1 24 24 GLU HG2 H 1 2.276 0.030 . 2 . . . . 24 GLU HG2 . 10270 1 203 . 1 1 24 24 GLU HG3 H 1 2.207 0.030 . 2 . . . . 24 GLU HG3 . 10270 1 204 . 1 1 24 24 GLU C C 13 175.816 0.300 . 1 . . . . 24 GLU C . 10270 1 205 . 1 1 24 24 GLU CA C 13 56.172 0.300 . 1 . . . . 24 GLU CA . 10270 1 206 . 1 1 24 24 GLU CB C 13 27.761 0.300 . 1 . . . . 24 GLU CB . 10270 1 207 . 1 1 24 24 GLU CG C 13 36.270 0.300 . 1 . . . . 24 GLU CG . 10270 1 208 . 1 1 24 24 GLU N N 15 115.227 0.300 . 1 . . . . 24 GLU N . 10270 1 209 . 1 1 25 25 VAL H H 1 8.030 0.030 . 1 . . . . 25 VAL H . 10270 1 210 . 1 1 25 25 VAL HA H 1 4.891 0.030 . 1 . . . . 25 VAL HA . 10270 1 211 . 1 1 25 25 VAL HB H 1 2.034 0.030 . 1 . . . . 25 VAL HB . 10270 1 212 . 1 1 25 25 VAL HG11 H 1 0.945 0.030 . 1 . . . . 25 VAL HG1 . 10270 1 213 . 1 1 25 25 VAL HG12 H 1 0.945 0.030 . 1 . . . . 25 VAL HG1 . 10270 1 214 . 1 1 25 25 VAL HG13 H 1 0.945 0.030 . 1 . . . . 25 VAL HG1 . 10270 1 215 . 1 1 25 25 VAL HG21 H 1 0.915 0.030 . 1 . . . . 25 VAL HG2 . 10270 1 216 . 1 1 25 25 VAL HG22 H 1 0.915 0.030 . 1 . . . . 25 VAL HG2 . 10270 1 217 . 1 1 25 25 VAL HG23 H 1 0.915 0.030 . 1 . . . . 25 VAL HG2 . 10270 1 218 . 1 1 25 25 VAL C C 13 177.065 0.300 . 1 . . . . 25 VAL C . 10270 1 219 . 1 1 25 25 VAL CA C 13 62.446 0.300 . 1 . . . . 25 VAL CA . 10270 1 220 . 1 1 25 25 VAL CB C 13 31.471 0.300 . 1 . . . . 25 VAL CB . 10270 1 221 . 1 1 25 25 VAL CG1 C 13 21.953 0.300 . 2 . . . . 25 VAL CG1 . 10270 1 222 . 1 1 25 25 VAL CG2 C 13 21.953 0.300 . 2 . . . . 25 VAL CG2 . 10270 1 223 . 1 1 25 25 VAL N N 15 119.529 0.300 . 1 . . . . 25 VAL N . 10270 1 224 . 1 1 26 26 GLY H H 1 8.796 0.030 . 1 . . . . 26 GLY H . 10270 1 225 . 1 1 26 26 GLY HA2 H 1 4.420 0.030 . 2 . . . . 26 GLY HA2 . 10270 1 226 . 1 1 26 26 GLY HA3 H 1 3.646 0.030 . 2 . . . . 26 GLY HA3 . 10270 1 227 . 1 1 26 26 GLY C C 13 170.874 0.300 . 1 . . . . 26 GLY C . 10270 1 228 . 1 1 26 26 GLY CA C 13 44.468 0.300 . 1 . . . . 26 GLY CA . 10270 1 229 . 1 1 26 26 GLY N N 15 114.560 0.300 . 1 . . . . 26 GLY N . 10270 1 230 . 1 1 27 27 VAL H H 1 8.332 0.030 . 1 . . . . 27 VAL H . 10270 1 231 . 1 1 27 27 VAL HA H 1 5.508 0.030 . 1 . . . . 27 VAL HA . 10270 1 232 . 1 1 27 27 VAL HB H 1 1.853 0.030 . 1 . . . . 27 VAL HB . 10270 1 233 . 1 1 27 27 VAL HG11 H 1 0.736 0.030 . 1 . . . . 27 VAL HG1 . 10270 1 234 . 1 1 27 27 VAL HG12 H 1 0.736 0.030 . 1 . . . . 27 VAL HG1 . 10270 1 235 . 1 1 27 27 VAL HG13 H 1 0.736 0.030 . 1 . . . . 27 VAL HG1 . 10270 1 236 . 1 1 27 27 VAL HG21 H 1 0.732 0.030 . 1 . . . . 27 VAL HG2 . 10270 1 237 . 1 1 27 27 VAL HG22 H 1 0.732 0.030 . 1 . . . . 27 VAL HG2 . 10270 1 238 . 1 1 27 27 VAL HG23 H 1 0.732 0.030 . 1 . . . . 27 VAL HG2 . 10270 1 239 . 1 1 27 27 VAL C C 13 175.652 0.300 . 1 . . . . 27 VAL C . 10270 1 240 . 1 1 27 27 VAL CA C 13 58.279 0.300 . 1 . . . . 27 VAL CA . 10270 1 241 . 1 1 27 27 VAL CB C 13 36.230 0.300 . 1 . . . . 27 VAL CB . 10270 1 242 . 1 1 27 27 VAL CG1 C 13 22.282 0.300 . 2 . . . . 27 VAL CG1 . 10270 1 243 . 1 1 27 27 VAL CG2 C 13 19.450 0.300 . 2 . . . . 27 VAL CG2 . 10270 1 244 . 1 1 27 27 VAL N N 15 110.792 0.300 . 1 . . . . 27 VAL N . 10270 1 245 . 1 1 28 28 LYS H H 1 9.143 0.030 . 1 . . . . 28 LYS H . 10270 1 246 . 1 1 28 28 LYS HA H 1 4.550 0.030 . 1 . . . . 28 LYS HA . 10270 1 247 . 1 1 28 28 LYS HB2 H 1 1.761 0.030 . 1 . . . . 28 LYS HB2 . 10270 1 248 . 1 1 28 28 LYS HB3 H 1 1.761 0.030 . 1 . . . . 28 LYS HB3 . 10270 1 249 . 1 1 28 28 LYS HD2 H 1 1.600 0.030 . 1 . . . . 28 LYS HD2 . 10270 1 250 . 1 1 28 28 LYS HD3 H 1 1.600 0.030 . 1 . . . . 28 LYS HD3 . 10270 1 251 . 1 1 28 28 LYS HE2 H 1 2.791 0.030 . 2 . . . . 28 LYS HE2 . 10270 1 252 . 1 1 28 28 LYS HG2 H 1 1.335 0.030 . 2 . . . . 28 LYS HG2 . 10270 1 253 . 1 1 28 28 LYS HG3 H 1 1.225 0.030 . 2 . . . . 28 LYS HG3 . 10270 1 254 . 1 1 28 28 LYS C C 13 175.150 0.300 . 1 . . . . 28 LYS C . 10270 1 255 . 1 1 28 28 LYS CA C 13 55.396 0.300 . 1 . . . . 28 LYS CA . 10270 1 256 . 1 1 28 28 LYS CB C 13 35.134 0.300 . 1 . . . . 28 LYS CB . 10270 1 257 . 1 1 28 28 LYS CD C 13 29.285 0.300 . 1 . . . . 28 LYS CD . 10270 1 258 . 1 1 28 28 LYS CE C 13 42.220 0.300 . 1 . . . . 28 LYS CE . 10270 1 259 . 1 1 28 28 LYS CG C 13 25.032 0.300 . 1 . . . . 28 LYS CG . 10270 1 260 . 1 1 28 28 LYS N N 15 123.314 0.300 . 1 . . . . 28 LYS N . 10270 1 261 . 1 1 29 29 VAL H H 1 9.190 0.030 . 1 . . . . 29 VAL H . 10270 1 262 . 1 1 29 29 VAL HA H 1 3.939 0.030 . 1 . . . . 29 VAL HA . 10270 1 263 . 1 1 29 29 VAL HB H 1 2.128 0.030 . 1 . . . . 29 VAL HB . 10270 1 264 . 1 1 29 29 VAL HG11 H 1 1.203 0.030 . 1 . . . . 29 VAL HG1 . 10270 1 265 . 1 1 29 29 VAL HG12 H 1 1.203 0.030 . 1 . . . . 29 VAL HG1 . 10270 1 266 . 1 1 29 29 VAL HG13 H 1 1.203 0.030 . 1 . . . . 29 VAL HG1 . 10270 1 267 . 1 1 29 29 VAL HG21 H 1 0.997 0.030 . 1 . . . . 29 VAL HG2 . 10270 1 268 . 1 1 29 29 VAL HG22 H 1 0.997 0.030 . 1 . . . . 29 VAL HG2 . 10270 1 269 . 1 1 29 29 VAL HG23 H 1 0.997 0.030 . 1 . . . . 29 VAL HG2 . 10270 1 270 . 1 1 29 29 VAL C C 13 176.162 0.300 . 1 . . . . 29 VAL C . 10270 1 271 . 1 1 29 29 VAL CA C 13 64.332 0.300 . 1 . . . . 29 VAL CA . 10270 1 272 . 1 1 29 29 VAL CB C 13 31.417 0.300 . 1 . . . . 29 VAL CB . 10270 1 273 . 1 1 29 29 VAL CG1 C 13 22.416 0.300 . 2 . . . . 29 VAL CG1 . 10270 1 274 . 1 1 29 29 VAL CG2 C 13 21.046 0.300 . 2 . . . . 29 VAL CG2 . 10270 1 275 . 1 1 29 29 VAL N N 15 127.176 0.300 . 1 . . . . 29 VAL N . 10270 1 276 . 1 1 30 30 LEU H H 1 8.108 0.030 . 1 . . . . 30 LEU H . 10270 1 277 . 1 1 30 30 LEU HA H 1 4.375 0.030 . 1 . . . . 30 LEU HA . 10270 1 278 . 1 1 30 30 LEU HB2 H 1 1.523 0.030 . 1 . . . . 30 LEU HB2 . 10270 1 279 . 1 1 30 30 LEU HB3 H 1 1.523 0.030 . 1 . . . . 30 LEU HB3 . 10270 1 280 . 1 1 30 30 LEU HD11 H 1 0.760 0.030 . 1 . . . . 30 LEU HD1 . 10270 1 281 . 1 1 30 30 LEU HD12 H 1 0.760 0.030 . 1 . . . . 30 LEU HD1 . 10270 1 282 . 1 1 30 30 LEU HD13 H 1 0.760 0.030 . 1 . . . . 30 LEU HD1 . 10270 1 283 . 1 1 30 30 LEU HD21 H 1 0.737 0.030 . 1 . . . . 30 LEU HD2 . 10270 1 284 . 1 1 30 30 LEU HD22 H 1 0.737 0.030 . 1 . . . . 30 LEU HD2 . 10270 1 285 . 1 1 30 30 LEU HD23 H 1 0.737 0.030 . 1 . . . . 30 LEU HD2 . 10270 1 286 . 1 1 30 30 LEU HG H 1 1.603 0.030 . 1 . . . . 30 LEU HG . 10270 1 287 . 1 1 30 30 LEU C C 13 177.477 0.300 . 1 . . . . 30 LEU C . 10270 1 288 . 1 1 30 30 LEU CA C 13 55.886 0.300 . 1 . . . . 30 LEU CA . 10270 1 289 . 1 1 30 30 LEU CB C 13 42.498 0.300 . 1 . . . . 30 LEU CB . 10270 1 290 . 1 1 30 30 LEU CD1 C 13 25.366 0.300 . 2 . . . . 30 LEU CD1 . 10270 1 291 . 1 1 30 30 LEU CD2 C 13 22.241 0.300 . 2 . . . . 30 LEU CD2 . 10270 1 292 . 1 1 30 30 LEU CG C 13 26.857 0.300 . 1 . . . . 30 LEU CG . 10270 1 293 . 1 1 30 30 LEU N N 15 128.053 0.300 . 1 . . . . 30 LEU N . 10270 1 294 . 1 1 31 31 SER H H 1 8.152 0.030 . 1 . . . . 31 SER H . 10270 1 295 . 1 1 31 31 SER HA H 1 4.748 0.030 . 1 . . . . 31 SER HA . 10270 1 296 . 1 1 31 31 SER HB2 H 1 4.298 0.030 . 2 . . . . 31 SER HB2 . 10270 1 297 . 1 1 31 31 SER HB3 H 1 4.048 0.030 . 2 . . . . 31 SER HB3 . 10270 1 298 . 1 1 31 31 SER C C 13 173.427 0.300 . 1 . . . . 31 SER C . 10270 1 299 . 1 1 31 31 SER CA C 13 57.811 0.300 . 1 . . . . 31 SER CA . 10270 1 300 . 1 1 31 31 SER CB C 13 64.517 0.300 . 1 . . . . 31 SER CB . 10270 1 301 . 1 1 31 31 SER N N 15 112.798 0.300 . 1 . . . . 31 SER N . 10270 1 302 . 1 1 32 32 SER H H 1 8.450 0.030 . 1 . . . . 32 SER H . 10270 1 303 . 1 1 32 32 SER HA H 1 4.604 0.030 . 1 . . . . 32 SER HA . 10270 1 304 . 1 1 32 32 SER HB2 H 1 3.960 0.030 . 2 . . . . 32 SER HB2 . 10270 1 305 . 1 1 32 32 SER HB3 H 1 3.548 0.030 . 2 . . . . 32 SER HB3 . 10270 1 306 . 1 1 32 32 SER C C 13 172.423 0.300 . 1 . . . . 32 SER C . 10270 1 307 . 1 1 32 32 SER CA C 13 59.414 0.300 . 1 . . . . 32 SER CA . 10270 1 308 . 1 1 32 32 SER CB C 13 63.903 0.300 . 1 . . . . 32 SER CB . 10270 1 309 . 1 1 32 32 SER N N 15 112.687 0.300 . 1 . . . . 32 SER N . 10270 1 310 . 1 1 33 33 SER H H 1 8.355 0.030 . 1 . . . . 33 SER H . 10270 1 311 . 1 1 33 33 SER HA H 1 4.759 0.030 . 1 . . . . 33 SER HA . 10270 1 312 . 1 1 33 33 SER HB2 H 1 4.097 0.030 . 2 . . . . 33 SER HB2 . 10270 1 313 . 1 1 33 33 SER HB3 H 1 3.550 0.030 . 2 . . . . 33 SER HB3 . 10270 1 314 . 1 1 33 33 SER C C 13 173.940 0.300 . 1 . . . . 33 SER C . 10270 1 315 . 1 1 33 33 SER CA C 13 57.229 0.300 . 1 . . . . 33 SER CA . 10270 1 316 . 1 1 33 33 SER CB C 13 66.786 0.300 . 1 . . . . 33 SER CB . 10270 1 317 . 1 1 33 33 SER N N 15 109.767 0.300 . 1 . . . . 33 SER N . 10270 1 318 . 1 1 34 34 GLU H H 1 6.978 0.030 . 1 . . . . 34 GLU H . 10270 1 319 . 1 1 34 34 GLU HA H 1 5.487 0.030 . 1 . . . . 34 GLU HA . 10270 1 320 . 1 1 34 34 GLU HB2 H 1 1.933 0.030 . 2 . . . . 34 GLU HB2 . 10270 1 321 . 1 1 34 34 GLU HB3 H 1 1.777 0.030 . 2 . . . . 34 GLU HB3 . 10270 1 322 . 1 1 34 34 GLU HG2 H 1 2.274 0.030 . 2 . . . . 34 GLU HG2 . 10270 1 323 . 1 1 34 34 GLU HG3 H 1 2.036 0.030 . 2 . . . . 34 GLU HG3 . 10270 1 324 . 1 1 34 34 GLU C C 13 175.294 0.300 . 1 . . . . 34 GLU C . 10270 1 325 . 1 1 34 34 GLU CA C 13 55.130 0.300 . 1 . . . . 34 GLU CA . 10270 1 326 . 1 1 34 34 GLU CB C 13 35.711 0.300 . 1 . . . . 34 GLU CB . 10270 1 327 . 1 1 34 34 GLU CG C 13 36.849 0.300 . 1 . . . . 34 GLU CG . 10270 1 328 . 1 1 34 34 GLU N N 15 119.009 0.300 . 1 . . . . 34 GLU N . 10270 1 329 . 1 1 35 35 ILE H H 1 8.190 0.030 . 1 . . . . 35 ILE H . 10270 1 330 . 1 1 35 35 ILE HA H 1 4.477 0.030 . 1 . . . . 35 ILE HA . 10270 1 331 . 1 1 35 35 ILE HB H 1 1.188 0.030 . 1 . . . . 35 ILE HB . 10270 1 332 . 1 1 35 35 ILE HD11 H 1 0.338 0.030 . 1 . . . . 35 ILE HD1 . 10270 1 333 . 1 1 35 35 ILE HD12 H 1 0.338 0.030 . 1 . . . . 35 ILE HD1 . 10270 1 334 . 1 1 35 35 ILE HD13 H 1 0.338 0.030 . 1 . . . . 35 ILE HD1 . 10270 1 335 . 1 1 35 35 ILE HG12 H 1 1.255 0.030 . 2 . . . . 35 ILE HG12 . 10270 1 336 . 1 1 35 35 ILE HG13 H 1 0.795 0.030 . 2 . . . . 35 ILE HG13 . 10270 1 337 . 1 1 35 35 ILE HG21 H 1 0.555 0.030 . 1 . . . . 35 ILE HG2 . 10270 1 338 . 1 1 35 35 ILE HG22 H 1 0.555 0.030 . 1 . . . . 35 ILE HG2 . 10270 1 339 . 1 1 35 35 ILE HG23 H 1 0.555 0.030 . 1 . . . . 35 ILE HG2 . 10270 1 340 . 1 1 35 35 ILE C C 13 173.681 0.300 . 1 . . . . 35 ILE C . 10270 1 341 . 1 1 35 35 ILE CA C 13 60.203 0.300 . 1 . . . . 35 ILE CA . 10270 1 342 . 1 1 35 35 ILE CB C 13 43.791 0.300 . 1 . . . . 35 ILE CB . 10270 1 343 . 1 1 35 35 ILE CD1 C 13 13.302 0.300 . 1 . . . . 35 ILE CD1 . 10270 1 344 . 1 1 35 35 ILE CG1 C 13 28.071 0.300 . 1 . . . . 35 ILE CG1 . 10270 1 345 . 1 1 35 35 ILE CG2 C 13 17.420 0.300 . 1 . . . . 35 ILE CG2 . 10270 1 346 . 1 1 35 35 ILE N N 15 120.691 0.300 . 1 . . . . 35 ILE N . 10270 1 347 . 1 1 36 36 SER H H 1 9.269 0.030 . 1 . . . . 36 SER H . 10270 1 348 . 1 1 36 36 SER HA H 1 5.300 0.030 . 1 . . . . 36 SER HA . 10270 1 349 . 1 1 36 36 SER HB2 H 1 3.796 0.030 . 2 . . . . 36 SER HB2 . 10270 1 350 . 1 1 36 36 SER HB3 H 1 3.724 0.030 . 2 . . . . 36 SER HB3 . 10270 1 351 . 1 1 36 36 SER C C 13 172.945 0.300 . 1 . . . . 36 SER C . 10270 1 352 . 1 1 36 36 SER CA C 13 56.549 0.300 . 1 . . . . 36 SER CA . 10270 1 353 . 1 1 36 36 SER CB C 13 64.591 0.300 . 1 . . . . 36 SER CB . 10270 1 354 . 1 1 36 36 SER N N 15 120.471 0.300 . 1 . . . . 36 SER N . 10270 1 355 . 1 1 37 37 VAL H H 1 9.000 0.030 . 1 . . . . 37 VAL H . 10270 1 356 . 1 1 37 37 VAL HA H 1 4.902 0.030 . 1 . . . . 37 VAL HA . 10270 1 357 . 1 1 37 37 VAL HB H 1 1.880 0.030 . 1 . . . . 37 VAL HB . 10270 1 358 . 1 1 37 37 VAL HG11 H 1 0.995 0.030 . 1 . . . . 37 VAL HG1 . 10270 1 359 . 1 1 37 37 VAL HG12 H 1 0.995 0.030 . 1 . . . . 37 VAL HG1 . 10270 1 360 . 1 1 37 37 VAL HG13 H 1 0.995 0.030 . 1 . . . . 37 VAL HG1 . 10270 1 361 . 1 1 37 37 VAL HG21 H 1 0.828 0.030 . 1 . . . . 37 VAL HG2 . 10270 1 362 . 1 1 37 37 VAL HG22 H 1 0.828 0.030 . 1 . . . . 37 VAL HG2 . 10270 1 363 . 1 1 37 37 VAL HG23 H 1 0.828 0.030 . 1 . . . . 37 VAL HG2 . 10270 1 364 . 1 1 37 37 VAL C C 13 173.530 0.300 . 1 . . . . 37 VAL C . 10270 1 365 . 1 1 37 37 VAL CA C 13 60.261 0.300 . 1 . . . . 37 VAL CA . 10270 1 366 . 1 1 37 37 VAL CB C 13 35.001 0.300 . 1 . . . . 37 VAL CB . 10270 1 367 . 1 1 37 37 VAL CG1 C 13 21.339 0.300 . 2 . . . . 37 VAL CG1 . 10270 1 368 . 1 1 37 37 VAL CG2 C 13 22.173 0.300 . 2 . . . . 37 VAL CG2 . 10270 1 369 . 1 1 37 37 VAL N N 15 127.009 0.300 . 1 . . . . 37 VAL N . 10270 1 370 . 1 1 38 38 HIS H H 1 8.779 0.030 . 1 . . . . 38 HIS H . 10270 1 371 . 1 1 38 38 HIS HA H 1 5.238 0.030 . 1 . . . . 38 HIS HA . 10270 1 372 . 1 1 38 38 HIS HB2 H 1 2.976 0.030 . 2 . . . . 38 HIS HB2 . 10270 1 373 . 1 1 38 38 HIS HB3 H 1 2.901 0.030 . 2 . . . . 38 HIS HB3 . 10270 1 374 . 1 1 38 38 HIS HD2 H 1 6.767 0.030 . 1 . . . . 38 HIS HD2 . 10270 1 375 . 1 1 38 38 HIS HE1 H 1 7.730 0.030 . 1 . . . . 38 HIS HE1 . 10270 1 376 . 1 1 38 38 HIS C C 13 173.545 0.300 . 1 . . . . 38 HIS C . 10270 1 377 . 1 1 38 38 HIS CA C 13 54.991 0.300 . 1 . . . . 38 HIS CA . 10270 1 378 . 1 1 38 38 HIS CB C 13 32.564 0.300 . 1 . . . . 38 HIS CB . 10270 1 379 . 1 1 38 38 HIS CD2 C 13 123.050 0.300 . 1 . . . . 38 HIS CD2 . 10270 1 380 . 1 1 38 38 HIS CE1 C 13 136.990 0.300 . 1 . . . . 38 HIS CE1 . 10270 1 381 . 1 1 38 38 HIS N N 15 123.115 0.300 . 1 . . . . 38 HIS N . 10270 1 382 . 1 1 39 39 TRP H H 1 7.682 0.030 . 1 . . . . 39 TRP H . 10270 1 383 . 1 1 39 39 TRP HA H 1 5.044 0.030 . 1 . . . . 39 TRP HA . 10270 1 384 . 1 1 39 39 TRP HB2 H 1 3.421 0.030 . 2 . . . . 39 TRP HB2 . 10270 1 385 . 1 1 39 39 TRP HB3 H 1 2.996 0.030 . 2 . . . . 39 TRP HB3 . 10270 1 386 . 1 1 39 39 TRP HD1 H 1 6.476 0.030 . 1 . . . . 39 TRP HD1 . 10270 1 387 . 1 1 39 39 TRP HE1 H 1 5.937 0.030 . 1 . . . . 39 TRP HE1 . 10270 1 388 . 1 1 39 39 TRP HE3 H 1 6.906 0.030 . 1 . . . . 39 TRP HE3 . 10270 1 389 . 1 1 39 39 TRP HH2 H 1 6.517 0.030 . 1 . . . . 39 TRP HH2 . 10270 1 390 . 1 1 39 39 TRP HZ2 H 1 6.652 0.030 . 1 . . . . 39 TRP HZ2 . 10270 1 391 . 1 1 39 39 TRP HZ3 H 1 6.515 0.030 . 1 . . . . 39 TRP HZ3 . 10270 1 392 . 1 1 39 39 TRP C C 13 173.585 0.300 . 1 . . . . 39 TRP C . 10270 1 393 . 1 1 39 39 TRP CA C 13 57.170 0.300 . 1 . . . . 39 TRP CA . 10270 1 394 . 1 1 39 39 TRP CB C 13 31.554 0.300 . 1 . . . . 39 TRP CB . 10270 1 395 . 1 1 39 39 TRP CD1 C 13 125.451 0.300 . 1 . . . . 39 TRP CD1 . 10270 1 396 . 1 1 39 39 TRP CE3 C 13 120.571 0.300 . 1 . . . . 39 TRP CE3 . 10270 1 397 . 1 1 39 39 TRP CH2 C 13 123.631 0.300 . 1 . . . . 39 TRP CH2 . 10270 1 398 . 1 1 39 39 TRP CZ2 C 13 113.508 0.300 . 1 . . . . 39 TRP CZ2 . 10270 1 399 . 1 1 39 39 TRP CZ3 C 13 120.984 0.300 . 1 . . . . 39 TRP CZ3 . 10270 1 400 . 1 1 39 39 TRP N N 15 116.447 0.300 . 1 . . . . 39 TRP N . 10270 1 401 . 1 1 39 39 TRP NE1 N 15 121.288 0.300 . 1 . . . . 39 TRP NE1 . 10270 1 402 . 1 1 40 40 GLU H H 1 8.522 0.030 . 1 . . . . 40 GLU H . 10270 1 403 . 1 1 40 40 GLU HA H 1 4.619 0.030 . 1 . . . . 40 GLU HA . 10270 1 404 . 1 1 40 40 GLU HB2 H 1 2.025 0.030 . 2 . . . . 40 GLU HB2 . 10270 1 405 . 1 1 40 40 GLU HB3 H 1 1.877 0.030 . 2 . . . . 40 GLU HB3 . 10270 1 406 . 1 1 40 40 GLU HG2 H 1 2.394 0.030 . 2 . . . . 40 GLU HG2 . 10270 1 407 . 1 1 40 40 GLU HG3 H 1 2.217 0.030 . 2 . . . . 40 GLU HG3 . 10270 1 408 . 1 1 40 40 GLU C C 13 177.186 0.300 . 1 . . . . 40 GLU C . 10270 1 409 . 1 1 40 40 GLU CA C 13 54.356 0.300 . 1 . . . . 40 GLU CA . 10270 1 410 . 1 1 40 40 GLU CB C 13 30.344 0.300 . 1 . . . . 40 GLU CB . 10270 1 411 . 1 1 40 40 GLU CG C 13 36.206 0.300 . 1 . . . . 40 GLU CG . 10270 1 412 . 1 1 40 40 GLU N N 15 117.208 0.300 . 1 . . . . 40 GLU N . 10270 1 413 . 1 1 41 41 HIS H H 1 8.477 0.030 . 1 . . . . 41 HIS H . 10270 1 414 . 1 1 41 41 HIS HA H 1 4.748 0.030 . 1 . . . . 41 HIS HA . 10270 1 415 . 1 1 41 41 HIS HB2 H 1 3.290 0.030 . 2 . . . . 41 HIS HB2 . 10270 1 416 . 1 1 41 41 HIS HB3 H 1 3.167 0.030 . 2 . . . . 41 HIS HB3 . 10270 1 417 . 1 1 41 41 HIS HD2 H 1 6.342 0.030 . 1 . . . . 41 HIS HD2 . 10270 1 418 . 1 1 41 41 HIS HE1 H 1 7.707 0.030 . 1 . . . . 41 HIS HE1 . 10270 1 419 . 1 1 41 41 HIS C C 13 177.474 0.300 . 1 . . . . 41 HIS C . 10270 1 420 . 1 1 41 41 HIS CA C 13 54.779 0.300 . 1 . . . . 41 HIS CA . 10270 1 421 . 1 1 41 41 HIS CB C 13 31.140 0.300 . 1 . . . . 41 HIS CB . 10270 1 422 . 1 1 41 41 HIS CD2 C 13 116.060 0.300 . 1 . . . . 41 HIS CD2 . 10270 1 423 . 1 1 41 41 HIS CE1 C 13 137.668 0.300 . 1 . . . . 41 HIS CE1 . 10270 1 424 . 1 1 41 41 HIS N N 15 119.083 0.300 . 1 . . . . 41 HIS N . 10270 1 425 . 1 1 42 42 VAL H H 1 7.680 0.030 . 1 . . . . 42 VAL H . 10270 1 426 . 1 1 42 42 VAL HA H 1 4.428 0.030 . 1 . . . . 42 VAL HA . 10270 1 427 . 1 1 42 42 VAL HB H 1 2.397 0.030 . 1 . . . . 42 VAL HB . 10270 1 428 . 1 1 42 42 VAL HG11 H 1 0.988 0.030 . 1 . . . . 42 VAL HG1 . 10270 1 429 . 1 1 42 42 VAL HG12 H 1 0.988 0.030 . 1 . . . . 42 VAL HG1 . 10270 1 430 . 1 1 42 42 VAL HG13 H 1 0.988 0.030 . 1 . . . . 42 VAL HG1 . 10270 1 431 . 1 1 42 42 VAL HG21 H 1 1.006 0.030 . 1 . . . . 42 VAL HG2 . 10270 1 432 . 1 1 42 42 VAL HG22 H 1 1.006 0.030 . 1 . . . . 42 VAL HG2 . 10270 1 433 . 1 1 42 42 VAL HG23 H 1 1.006 0.030 . 1 . . . . 42 VAL HG2 . 10270 1 434 . 1 1 42 42 VAL C C 13 175.401 0.300 . 1 . . . . 42 VAL C . 10270 1 435 . 1 1 42 42 VAL CA C 13 60.878 0.300 . 1 . . . . 42 VAL CA . 10270 1 436 . 1 1 42 42 VAL CB C 13 32.216 0.300 . 1 . . . . 42 VAL CB . 10270 1 437 . 1 1 42 42 VAL CG1 C 13 22.365 0.300 . 2 . . . . 42 VAL CG1 . 10270 1 438 . 1 1 42 42 VAL CG2 C 13 19.736 0.300 . 2 . . . . 42 VAL CG2 . 10270 1 439 . 1 1 42 42 VAL N N 15 114.975 0.300 . 1 . . . . 42 VAL N . 10270 1 440 . 1 1 43 43 LEU H H 1 9.107 0.030 . 1 . . . . 43 LEU H . 10270 1 441 . 1 1 43 43 LEU HA H 1 4.303 0.030 . 1 . . . . 43 LEU HA . 10270 1 442 . 1 1 43 43 LEU HB2 H 1 1.879 0.030 . 2 . . . . 43 LEU HB2 . 10270 1 443 . 1 1 43 43 LEU HB3 H 1 1.585 0.030 . 2 . . . . 43 LEU HB3 . 10270 1 444 . 1 1 43 43 LEU HD11 H 1 0.969 0.030 . 1 . . . . 43 LEU HD1 . 10270 1 445 . 1 1 43 43 LEU HD12 H 1 0.969 0.030 . 1 . . . . 43 LEU HD1 . 10270 1 446 . 1 1 43 43 LEU HD13 H 1 0.969 0.030 . 1 . . . . 43 LEU HD1 . 10270 1 447 . 1 1 43 43 LEU HD21 H 1 0.875 0.030 . 1 . . . . 43 LEU HD2 . 10270 1 448 . 1 1 43 43 LEU HD22 H 1 0.875 0.030 . 1 . . . . 43 LEU HD2 . 10270 1 449 . 1 1 43 43 LEU HD23 H 1 0.875 0.030 . 1 . . . . 43 LEU HD2 . 10270 1 450 . 1 1 43 43 LEU HG H 1 1.720 0.030 . 1 . . . . 43 LEU HG . 10270 1 451 . 1 1 43 43 LEU C C 13 178.603 0.300 . 1 . . . . 43 LEU C . 10270 1 452 . 1 1 43 43 LEU CA C 13 55.872 0.300 . 1 . . . . 43 LEU CA . 10270 1 453 . 1 1 43 43 LEU CB C 13 41.684 0.300 . 1 . . . . 43 LEU CB . 10270 1 454 . 1 1 43 43 LEU CD1 C 13 25.334 0.300 . 2 . . . . 43 LEU CD1 . 10270 1 455 . 1 1 43 43 LEU CD2 C 13 23.121 0.300 . 2 . . . . 43 LEU CD2 . 10270 1 456 . 1 1 43 43 LEU CG C 13 27.291 0.300 . 1 . . . . 43 LEU CG . 10270 1 457 . 1 1 43 43 LEU N N 15 123.877 0.300 . 1 . . . . 43 LEU N . 10270 1 458 . 1 1 44 44 GLU H H 1 7.988 0.030 . 1 . . . . 44 GLU H . 10270 1 459 . 1 1 44 44 GLU HA H 1 4.152 0.030 . 1 . . . . 44 GLU HA . 10270 1 460 . 1 1 44 44 GLU HB2 H 1 1.981 0.030 . 1 . . . . 44 GLU HB2 . 10270 1 461 . 1 1 44 44 GLU HB3 H 1 1.981 0.030 . 1 . . . . 44 GLU HB3 . 10270 1 462 . 1 1 44 44 GLU HG2 H 1 2.278 0.030 . 2 . . . . 44 GLU HG2 . 10270 1 463 . 1 1 44 44 GLU HG3 H 1 2.221 0.030 . 2 . . . . 44 GLU HG3 . 10270 1 464 . 1 1 44 44 GLU C C 13 177.236 0.300 . 1 . . . . 44 GLU C . 10270 1 465 . 1 1 44 44 GLU CA C 13 57.282 0.300 . 1 . . . . 44 GLU CA . 10270 1 466 . 1 1 44 44 GLU CB C 13 31.033 0.300 . 1 . . . . 44 GLU CB . 10270 1 467 . 1 1 44 44 GLU CG C 13 36.642 0.300 . 1 . . . . 44 GLU CG . 10270 1 468 . 1 1 44 44 GLU N N 15 119.655 0.300 . 1 . . . . 44 GLU N . 10270 1 469 . 1 1 45 45 LYS H H 1 8.596 0.030 . 1 . . . . 45 LYS H . 10270 1 470 . 1 1 45 45 LYS HA H 1 4.295 0.030 . 1 . . . . 45 LYS HA . 10270 1 471 . 1 1 45 45 LYS HB2 H 1 1.986 0.030 . 2 . . . . 45 LYS HB2 . 10270 1 472 . 1 1 45 45 LYS HB3 H 1 1.791 0.030 . 2 . . . . 45 LYS HB3 . 10270 1 473 . 1 1 45 45 LYS HD2 H 1 1.689 0.030 . 1 . . . . 45 LYS HD2 . 10270 1 474 . 1 1 45 45 LYS HD3 H 1 1.689 0.030 . 1 . . . . 45 LYS HD3 . 10270 1 475 . 1 1 45 45 LYS HE2 H 1 3.032 0.030 . 1 . . . . 45 LYS HE2 . 10270 1 476 . 1 1 45 45 LYS HE3 H 1 3.032 0.030 . 1 . . . . 45 LYS HE3 . 10270 1 477 . 1 1 45 45 LYS HG2 H 1 1.558 0.030 . 2 . . . . 45 LYS HG2 . 10270 1 478 . 1 1 45 45 LYS HG3 H 1 1.503 0.030 . 2 . . . . 45 LYS HG3 . 10270 1 479 . 1 1 45 45 LYS C C 13 177.258 0.300 . 1 . . . . 45 LYS C . 10270 1 480 . 1 1 45 45 LYS CA C 13 57.170 0.300 . 1 . . . . 45 LYS CA . 10270 1 481 . 1 1 45 45 LYS CB C 13 32.204 0.300 . 1 . . . . 45 LYS CB . 10270 1 482 . 1 1 45 45 LYS CD C 13 28.772 0.300 . 1 . . . . 45 LYS CD . 10270 1 483 . 1 1 45 45 LYS CE C 13 42.242 0.300 . 1 . . . . 45 LYS CE . 10270 1 484 . 1 1 45 45 LYS CG C 13 25.001 0.300 . 1 . . . . 45 LYS CG . 10270 1 485 . 1 1 45 45 LYS N N 15 120.518 0.300 . 1 . . . . 45 LYS N . 10270 1 486 . 1 1 46 46 ILE H H 1 7.212 0.030 . 1 . . . . 46 ILE H . 10270 1 487 . 1 1 46 46 ILE HA H 1 4.371 0.030 . 1 . . . . 46 ILE HA . 10270 1 488 . 1 1 46 46 ILE HB H 1 2.084 0.030 . 1 . . . . 46 ILE HB . 10270 1 489 . 1 1 46 46 ILE HD11 H 1 0.726 0.030 . 1 . . . . 46 ILE HD1 . 10270 1 490 . 1 1 46 46 ILE HD12 H 1 0.726 0.030 . 1 . . . . 46 ILE HD1 . 10270 1 491 . 1 1 46 46 ILE HD13 H 1 0.726 0.030 . 1 . . . . 46 ILE HD1 . 10270 1 492 . 1 1 46 46 ILE HG12 H 1 1.093 0.030 . 1 . . . . 46 ILE HG12 . 10270 1 493 . 1 1 46 46 ILE HG13 H 1 1.093 0.030 . 1 . . . . 46 ILE HG13 . 10270 1 494 . 1 1 46 46 ILE HG21 H 1 0.895 0.030 . 1 . . . . 46 ILE HG2 . 10270 1 495 . 1 1 46 46 ILE HG22 H 1 0.895 0.030 . 1 . . . . 46 ILE HG2 . 10270 1 496 . 1 1 46 46 ILE HG23 H 1 0.895 0.030 . 1 . . . . 46 ILE HG2 . 10270 1 497 . 1 1 46 46 ILE C C 13 175.191 0.300 . 1 . . . . 46 ILE C . 10270 1 498 . 1 1 46 46 ILE CA C 13 60.666 0.300 . 1 . . . . 46 ILE CA . 10270 1 499 . 1 1 46 46 ILE CB C 13 37.531 0.300 . 1 . . . . 46 ILE CB . 10270 1 500 . 1 1 46 46 ILE CD1 C 13 13.716 0.300 . 1 . . . . 46 ILE CD1 . 10270 1 501 . 1 1 46 46 ILE CG1 C 13 26.668 0.300 . 1 . . . . 46 ILE CG1 . 10270 1 502 . 1 1 46 46 ILE CG2 C 13 18.370 0.300 . 1 . . . . 46 ILE CG2 . 10270 1 503 . 1 1 46 46 ILE N N 15 111.434 0.300 . 1 . . . . 46 ILE N . 10270 1 504 . 1 1 47 47 VAL H H 1 7.378 0.030 . 1 . . . . 47 VAL H . 10270 1 505 . 1 1 47 47 VAL HA H 1 3.658 0.030 . 1 . . . . 47 VAL HA . 10270 1 506 . 1 1 47 47 VAL HB H 1 1.853 0.030 . 1 . . . . 47 VAL HB . 10270 1 507 . 1 1 47 47 VAL HG11 H 1 0.759 0.030 . 1 . . . . 47 VAL HG1 . 10270 1 508 . 1 1 47 47 VAL HG12 H 1 0.759 0.030 . 1 . . . . 47 VAL HG1 . 10270 1 509 . 1 1 47 47 VAL HG13 H 1 0.759 0.030 . 1 . . . . 47 VAL HG1 . 10270 1 510 . 1 1 47 47 VAL HG21 H 1 0.573 0.030 . 1 . . . . 47 VAL HG2 . 10270 1 511 . 1 1 47 47 VAL HG22 H 1 0.573 0.030 . 1 . . . . 47 VAL HG2 . 10270 1 512 . 1 1 47 47 VAL HG23 H 1 0.573 0.030 . 1 . . . . 47 VAL HG2 . 10270 1 513 . 1 1 47 47 VAL C C 13 175.157 0.300 . 1 . . . . 47 VAL C . 10270 1 514 . 1 1 47 47 VAL CA C 13 63.521 0.300 . 1 . . . . 47 VAL CA . 10270 1 515 . 1 1 47 47 VAL CB C 13 33.570 0.300 . 1 . . . . 47 VAL CB . 10270 1 516 . 1 1 47 47 VAL CG1 C 13 23.246 0.300 . 2 . . . . 47 VAL CG1 . 10270 1 517 . 1 1 47 47 VAL CG2 C 13 21.458 0.300 . 2 . . . . 47 VAL CG2 . 10270 1 518 . 1 1 47 47 VAL N N 15 122.780 0.300 . 1 . . . . 47 VAL N . 10270 1 519 . 1 1 48 48 GLU H H 1 8.733 0.030 . 1 . . . . 48 GLU H . 10270 1 520 . 1 1 48 48 GLU HA H 1 4.615 0.030 . 1 . . . . 48 GLU HA . 10270 1 521 . 1 1 48 48 GLU HB2 H 1 2.190 0.030 . 2 . . . . 48 GLU HB2 . 10270 1 522 . 1 1 48 48 GLU HB3 H 1 1.866 0.030 . 2 . . . . 48 GLU HB3 . 10270 1 523 . 1 1 48 48 GLU HG2 H 1 2.311 0.030 . 1 . . . . 48 GLU HG2 . 10270 1 524 . 1 1 48 48 GLU HG3 H 1 2.311 0.030 . 1 . . . . 48 GLU HG3 . 10270 1 525 . 1 1 48 48 GLU C C 13 176.241 0.300 . 1 . . . . 48 GLU C . 10270 1 526 . 1 1 48 48 GLU CA C 13 56.701 0.300 . 1 . . . . 48 GLU CA . 10270 1 527 . 1 1 48 48 GLU CB C 13 32.966 0.300 . 1 . . . . 48 GLU CB . 10270 1 528 . 1 1 48 48 GLU CG C 13 36.793 0.300 . 1 . . . . 48 GLU CG . 10270 1 529 . 1 1 48 48 GLU N N 15 124.835 0.300 . 1 . . . . 48 GLU N . 10270 1 530 . 1 1 49 49 SER H H 1 8.130 0.030 . 1 . . . . 49 SER H . 10270 1 531 . 1 1 49 49 SER HA H 1 4.726 0.030 . 1 . . . . 49 SER HA . 10270 1 532 . 1 1 49 49 SER HB2 H 1 3.850 0.030 . 2 . . . . 49 SER HB2 . 10270 1 533 . 1 1 49 49 SER HB3 H 1 3.664 0.030 . 2 . . . . 49 SER HB3 . 10270 1 534 . 1 1 49 49 SER C C 13 171.371 0.300 . 1 . . . . 49 SER C . 10270 1 535 . 1 1 49 49 SER CA C 13 57.440 0.300 . 1 . . . . 49 SER CA . 10270 1 536 . 1 1 49 49 SER CB C 13 66.073 0.300 . 1 . . . . 49 SER CB . 10270 1 537 . 1 1 49 49 SER N N 15 114.231 0.300 . 1 . . . . 49 SER N . 10270 1 538 . 1 1 50 50 TYR H H 1 8.681 0.030 . 1 . . . . 50 TYR H . 10270 1 539 . 1 1 50 50 TYR HA H 1 5.057 0.030 . 1 . . . . 50 TYR HA . 10270 1 540 . 1 1 50 50 TYR HB2 H 1 2.338 0.030 . 2 . . . . 50 TYR HB2 . 10270 1 541 . 1 1 50 50 TYR HB3 H 1 2.012 0.030 . 2 . . . . 50 TYR HB3 . 10270 1 542 . 1 1 50 50 TYR HD1 H 1 6.877 0.030 . 1 . . . . 50 TYR HD1 . 10270 1 543 . 1 1 50 50 TYR HD2 H 1 6.877 0.030 . 1 . . . . 50 TYR HD2 . 10270 1 544 . 1 1 50 50 TYR HE1 H 1 6.650 0.030 . 1 . . . . 50 TYR HE1 . 10270 1 545 . 1 1 50 50 TYR HE2 H 1 6.650 0.030 . 1 . . . . 50 TYR HE2 . 10270 1 546 . 1 1 50 50 TYR C C 13 174.034 0.300 . 1 . . . . 50 TYR C . 10270 1 547 . 1 1 50 50 TYR CA C 13 57.434 0.300 . 1 . . . . 50 TYR CA . 10270 1 548 . 1 1 50 50 TYR CB C 13 41.437 0.300 . 1 . . . . 50 TYR CB . 10270 1 549 . 1 1 50 50 TYR CD1 C 13 133.619 0.300 . 1 . . . . 50 TYR CD1 . 10270 1 550 . 1 1 50 50 TYR CD2 C 13 133.619 0.300 . 1 . . . . 50 TYR CD2 . 10270 1 551 . 1 1 50 50 TYR CE1 C 13 117.784 0.300 . 1 . . . . 50 TYR CE1 . 10270 1 552 . 1 1 50 50 TYR CE2 C 13 117.784 0.300 . 1 . . . . 50 TYR CE2 . 10270 1 553 . 1 1 50 50 TYR N N 15 115.301 0.300 . 1 . . . . 50 TYR N . 10270 1 554 . 1 1 51 51 GLN H H 1 9.200 0.030 . 1 . . . . 51 GLN H . 10270 1 555 . 1 1 51 51 GLN HA H 1 5.144 0.030 . 1 . . . . 51 GLN HA . 10270 1 556 . 1 1 51 51 GLN HB2 H 1 1.823 0.030 . 1 . . . . 51 GLN HB2 . 10270 1 557 . 1 1 51 51 GLN HB3 H 1 1.823 0.030 . 1 . . . . 51 GLN HB3 . 10270 1 558 . 1 1 51 51 GLN HE21 H 1 7.678 0.030 . 2 . . . . 51 GLN HE21 . 10270 1 559 . 1 1 51 51 GLN HE22 H 1 6.843 0.030 . 2 . . . . 51 GLN HE22 . 10270 1 560 . 1 1 51 51 GLN HG2 H 1 2.118 0.030 . 2 . . . . 51 GLN HG2 . 10270 1 561 . 1 1 51 51 GLN HG3 H 1 1.958 0.030 . 2 . . . . 51 GLN HG3 . 10270 1 562 . 1 1 51 51 GLN C C 13 173.878 0.300 . 1 . . . . 51 GLN C . 10270 1 563 . 1 1 51 51 GLN CA C 13 53.669 0.300 . 1 . . . . 51 GLN CA . 10270 1 564 . 1 1 51 51 GLN CB C 13 32.783 0.300 . 1 . . . . 51 GLN CB . 10270 1 565 . 1 1 51 51 GLN CG C 13 34.869 0.300 . 1 . . . . 51 GLN CG . 10270 1 566 . 1 1 51 51 GLN N N 15 119.842 0.300 . 1 . . . . 51 GLN N . 10270 1 567 . 1 1 51 51 GLN NE2 N 15 111.541 0.300 . 1 . . . . 51 GLN NE2 . 10270 1 568 . 1 1 52 52 ILE H H 1 9.441 0.030 . 1 . . . . 52 ILE H . 10270 1 569 . 1 1 52 52 ILE HA H 1 4.803 0.030 . 1 . . . . 52 ILE HA . 10270 1 570 . 1 1 52 52 ILE HB H 1 1.812 0.030 . 1 . . . . 52 ILE HB . 10270 1 571 . 1 1 52 52 ILE HD11 H 1 0.655 0.030 . 1 . . . . 52 ILE HD1 . 10270 1 572 . 1 1 52 52 ILE HD12 H 1 0.655 0.030 . 1 . . . . 52 ILE HD1 . 10270 1 573 . 1 1 52 52 ILE HD13 H 1 0.655 0.030 . 1 . . . . 52 ILE HD1 . 10270 1 574 . 1 1 52 52 ILE HG12 H 1 1.064 0.030 . 2 . . . . 52 ILE HG12 . 10270 1 575 . 1 1 52 52 ILE HG13 H 1 0.870 0.030 . 2 . . . . 52 ILE HG13 . 10270 1 576 . 1 1 52 52 ILE HG21 H 1 0.800 0.030 . 1 . . . . 52 ILE HG2 . 10270 1 577 . 1 1 52 52 ILE HG22 H 1 0.800 0.030 . 1 . . . . 52 ILE HG2 . 10270 1 578 . 1 1 52 52 ILE HG23 H 1 0.800 0.030 . 1 . . . . 52 ILE HG2 . 10270 1 579 . 1 1 52 52 ILE C C 13 174.953 0.300 . 1 . . . . 52 ILE C . 10270 1 580 . 1 1 52 52 ILE CA C 13 61.054 0.300 . 1 . . . . 52 ILE CA . 10270 1 581 . 1 1 52 52 ILE CB C 13 39.108 0.300 . 1 . . . . 52 ILE CB . 10270 1 582 . 1 1 52 52 ILE CD1 C 13 16.492 0.300 . 1 . . . . 52 ILE CD1 . 10270 1 583 . 1 1 52 52 ILE CG1 C 13 30.735 0.300 . 1 . . . . 52 ILE CG1 . 10270 1 584 . 1 1 52 52 ILE CG2 C 13 21.613 0.300 . 1 . . . . 52 ILE CG2 . 10270 1 585 . 1 1 52 52 ILE N N 15 128.547 0.300 . 1 . . . . 52 ILE N . 10270 1 586 . 1 1 53 53 ARG H H 1 9.169 0.030 . 1 . . . . 53 ARG H . 10270 1 587 . 1 1 53 53 ARG HA H 1 5.628 0.030 . 1 . . . . 53 ARG HA . 10270 1 588 . 1 1 53 53 ARG HB2 H 1 1.906 0.030 . 2 . . . . 53 ARG HB2 . 10270 1 589 . 1 1 53 53 ARG HB3 H 1 1.754 0.030 . 2 . . . . 53 ARG HB3 . 10270 1 590 . 1 1 53 53 ARG HD2 H 1 3.128 0.030 . 1 . . . . 53 ARG HD2 . 10270 1 591 . 1 1 53 53 ARG HD3 H 1 3.128 0.030 . 1 . . . . 53 ARG HD3 . 10270 1 592 . 1 1 53 53 ARG HG2 H 1 1.618 0.030 . 2 . . . . 53 ARG HG2 . 10270 1 593 . 1 1 53 53 ARG HG3 H 1 1.467 0.030 . 2 . . . . 53 ARG HG3 . 10270 1 594 . 1 1 53 53 ARG C C 13 174.869 0.300 . 1 . . . . 53 ARG C . 10270 1 595 . 1 1 53 53 ARG CA C 13 54.479 0.300 . 1 . . . . 53 ARG CA . 10270 1 596 . 1 1 53 53 ARG CB C 13 33.942 0.300 . 1 . . . . 53 ARG CB . 10270 1 597 . 1 1 53 53 ARG CD C 13 43.373 0.300 . 1 . . . . 53 ARG CD . 10270 1 598 . 1 1 53 53 ARG CG C 13 29.294 0.300 . 1 . . . . 53 ARG CG . 10270 1 599 . 1 1 53 53 ARG N N 15 127.779 0.300 . 1 . . . . 53 ARG N . 10270 1 600 . 1 1 54 54 TYR H H 1 8.671 0.030 . 1 . . . . 54 TYR H . 10270 1 601 . 1 1 54 54 TYR HA H 1 6.310 0.030 . 1 . . . . 54 TYR HA . 10270 1 602 . 1 1 54 54 TYR HB2 H 1 2.844 0.030 . 2 . . . . 54 TYR HB2 . 10270 1 603 . 1 1 54 54 TYR HB3 H 1 2.607 0.030 . 2 . . . . 54 TYR HB3 . 10270 1 604 . 1 1 54 54 TYR HD1 H 1 6.747 0.030 . 1 . . . . 54 TYR HD1 . 10270 1 605 . 1 1 54 54 TYR HD2 H 1 6.747 0.030 . 1 . . . . 54 TYR HD2 . 10270 1 606 . 1 1 54 54 TYR HE1 H 1 6.595 0.030 . 1 . . . . 54 TYR HE1 . 10270 1 607 . 1 1 54 54 TYR HE2 H 1 6.595 0.030 . 1 . . . . 54 TYR HE2 . 10270 1 608 . 1 1 54 54 TYR C C 13 173.965 0.300 . 1 . . . . 54 TYR C . 10270 1 609 . 1 1 54 54 TYR CA C 13 55.291 0.300 . 1 . . . . 54 TYR CA . 10270 1 610 . 1 1 54 54 TYR CB C 13 41.930 0.300 . 1 . . . . 54 TYR CB . 10270 1 611 . 1 1 54 54 TYR CD1 C 13 133.656 0.300 . 1 . . . . 54 TYR CD1 . 10270 1 612 . 1 1 54 54 TYR CD2 C 13 133.656 0.300 . 1 . . . . 54 TYR CD2 . 10270 1 613 . 1 1 54 54 TYR CE1 C 13 118.257 0.300 . 1 . . . . 54 TYR CE1 . 10270 1 614 . 1 1 54 54 TYR CE2 C 13 118.257 0.300 . 1 . . . . 54 TYR CE2 . 10270 1 615 . 1 1 54 54 TYR N N 15 117.929 0.300 . 1 . . . . 54 TYR N . 10270 1 616 . 1 1 55 55 TRP H H 1 8.928 0.030 . 1 . . . . 55 TRP H . 10270 1 617 . 1 1 55 55 TRP HA H 1 5.054 0.030 . 1 . . . . 55 TRP HA . 10270 1 618 . 1 1 55 55 TRP HB2 H 1 3.283 0.030 . 2 . . . . 55 TRP HB2 . 10270 1 619 . 1 1 55 55 TRP HB3 H 1 3.109 0.030 . 2 . . . . 55 TRP HB3 . 10270 1 620 . 1 1 55 55 TRP HD1 H 1 7.051 0.030 . 1 . . . . 55 TRP HD1 . 10270 1 621 . 1 1 55 55 TRP HE1 H 1 9.770 0.030 . 1 . . . . 55 TRP HE1 . 10270 1 622 . 1 1 55 55 TRP HE3 H 1 7.118 0.030 . 1 . . . . 55 TRP HE3 . 10270 1 623 . 1 1 55 55 TRP HH2 H 1 6.807 0.030 . 1 . . . . 55 TRP HH2 . 10270 1 624 . 1 1 55 55 TRP HZ2 H 1 7.115 0.030 . 1 . . . . 55 TRP HZ2 . 10270 1 625 . 1 1 55 55 TRP HZ3 H 1 6.593 0.030 . 1 . . . . 55 TRP HZ3 . 10270 1 626 . 1 1 55 55 TRP C C 13 172.613 0.300 . 1 . . . . 55 TRP C . 10270 1 627 . 1 1 55 55 TRP CA C 13 56.577 0.300 . 1 . . . . 55 TRP CA . 10270 1 628 . 1 1 55 55 TRP CB C 13 32.118 0.300 . 1 . . . . 55 TRP CB . 10270 1 629 . 1 1 55 55 TRP CD1 C 13 128.615 0.300 . 1 . . . . 55 TRP CD1 . 10270 1 630 . 1 1 55 55 TRP CE3 C 13 121.461 0.300 . 1 . . . . 55 TRP CE3 . 10270 1 631 . 1 1 55 55 TRP CH2 C 13 123.569 0.300 . 1 . . . . 55 TRP CH2 . 10270 1 632 . 1 1 55 55 TRP CZ2 C 13 114.633 0.300 . 1 . . . . 55 TRP CZ2 . 10270 1 633 . 1 1 55 55 TRP CZ3 C 13 121.291 0.300 . 1 . . . . 55 TRP CZ3 . 10270 1 634 . 1 1 55 55 TRP N N 15 121.459 0.300 . 1 . . . . 55 TRP N . 10270 1 635 . 1 1 55 55 TRP NE1 N 15 129.227 0.300 . 1 . . . . 55 TRP NE1 . 10270 1 636 . 1 1 56 56 ALA H H 1 8.870 0.030 . 1 . . . . 56 ALA H . 10270 1 637 . 1 1 56 56 ALA HA H 1 4.053 0.030 . 1 . . . . 56 ALA HA . 10270 1 638 . 1 1 56 56 ALA HB1 H 1 0.723 0.030 . 1 . . . . 56 ALA HB . 10270 1 639 . 1 1 56 56 ALA HB2 H 1 0.723 0.030 . 1 . . . . 56 ALA HB . 10270 1 640 . 1 1 56 56 ALA HB3 H 1 0.723 0.030 . 1 . . . . 56 ALA HB . 10270 1 641 . 1 1 56 56 ALA C C 13 179.868 0.300 . 1 . . . . 56 ALA C . 10270 1 642 . 1 1 56 56 ALA CA C 13 50.478 0.300 . 1 . . . . 56 ALA CA . 10270 1 643 . 1 1 56 56 ALA CB C 13 19.108 0.300 . 1 . . . . 56 ALA CB . 10270 1 644 . 1 1 56 56 ALA N N 15 124.214 0.300 . 1 . . . . 56 ALA N . 10270 1 645 . 1 1 57 57 ALA H H 1 8.147 0.030 . 1 . . . . 57 ALA H . 10270 1 646 . 1 1 57 57 ALA HA H 1 3.913 0.030 . 1 . . . . 57 ALA HA . 10270 1 647 . 1 1 57 57 ALA HB1 H 1 1.171 0.030 . 1 . . . . 57 ALA HB . 10270 1 648 . 1 1 57 57 ALA HB2 H 1 1.171 0.030 . 1 . . . . 57 ALA HB . 10270 1 649 . 1 1 57 57 ALA HB3 H 1 1.171 0.030 . 1 . . . . 57 ALA HB . 10270 1 650 . 1 1 57 57 ALA C C 13 178.479 0.300 . 1 . . . . 57 ALA C . 10270 1 651 . 1 1 57 57 ALA CA C 13 54.832 0.300 . 1 . . . . 57 ALA CA . 10270 1 652 . 1 1 57 57 ALA CB C 13 19.317 0.300 . 1 . . . . 57 ALA CB . 10270 1 653 . 1 1 57 57 ALA N N 15 120.999 0.300 . 1 . . . . 57 ALA N . 10270 1 654 . 1 1 58 58 HIS H H 1 7.274 0.030 . 1 . . . . 58 HIS H . 10270 1 655 . 1 1 58 58 HIS HA H 1 4.605 0.030 . 1 . . . . 58 HIS HA . 10270 1 656 . 1 1 58 58 HIS HB2 H 1 3.351 0.030 . 2 . . . . 58 HIS HB2 . 10270 1 657 . 1 1 58 58 HIS HB3 H 1 3.012 0.030 . 2 . . . . 58 HIS HB3 . 10270 1 658 . 1 1 58 58 HIS HD2 H 1 6.959 0.030 . 1 . . . . 58 HIS HD2 . 10270 1 659 . 1 1 58 58 HIS HE1 H 1 7.627 0.030 . 1 . . . . 58 HIS HE1 . 10270 1 660 . 1 1 58 58 HIS C C 13 175.349 0.300 . 1 . . . . 58 HIS C . 10270 1 661 . 1 1 58 58 HIS CA C 13 56.066 0.300 . 1 . . . . 58 HIS CA . 10270 1 662 . 1 1 58 58 HIS CB C 13 29.780 0.300 . 1 . . . . 58 HIS CB . 10270 1 663 . 1 1 58 58 HIS CD2 C 13 119.361 0.300 . 1 . . . . 58 HIS CD2 . 10270 1 664 . 1 1 58 58 HIS CE1 C 13 137.953 0.300 . 1 . . . . 58 HIS CE1 . 10270 1 665 . 1 1 58 58 HIS N N 15 109.961 0.300 . 1 . . . . 58 HIS N . 10270 1 666 . 1 1 59 59 ASP H H 1 7.945 0.030 . 1 . . . . 59 ASP H . 10270 1 667 . 1 1 59 59 ASP HA H 1 4.869 0.030 . 1 . . . . 59 ASP HA . 10270 1 668 . 1 1 59 59 ASP HB2 H 1 2.888 0.030 . 2 . . . . 59 ASP HB2 . 10270 1 669 . 1 1 59 59 ASP HB3 H 1 2.821 0.030 . 2 . . . . 59 ASP HB3 . 10270 1 670 . 1 1 59 59 ASP C C 13 175.895 0.300 . 1 . . . . 59 ASP C . 10270 1 671 . 1 1 59 59 ASP CA C 13 53.898 0.300 . 1 . . . . 59 ASP CA . 10270 1 672 . 1 1 59 59 ASP CB C 13 42.385 0.300 . 1 . . . . 59 ASP CB . 10270 1 673 . 1 1 59 59 ASP N N 15 123.825 0.300 . 1 . . . . 59 ASP N . 10270 1 674 . 1 1 60 60 LYS H H 1 8.147 0.030 . 1 . . . . 60 LYS H . 10270 1 675 . 1 1 60 60 LYS HA H 1 4.197 0.030 . 1 . . . . 60 LYS HA . 10270 1 676 . 1 1 60 60 LYS HB2 H 1 1.894 0.030 . 2 . . . . 60 LYS HB2 . 10270 1 677 . 1 1 60 60 LYS HB3 H 1 1.667 0.030 . 2 . . . . 60 LYS HB3 . 10270 1 678 . 1 1 60 60 LYS HD2 H 1 1.620 0.030 . 2 . . . . 60 LYS HD2 . 10270 1 679 . 1 1 60 60 LYS HE2 H 1 2.940 0.030 . 2 . . . . 60 LYS HE2 . 10270 1 680 . 1 1 60 60 LYS HG2 H 1 1.461 0.030 . 2 . . . . 60 LYS HG2 . 10270 1 681 . 1 1 60 60 LYS HG3 H 1 1.431 0.030 . 2 . . . . 60 LYS HG3 . 10270 1 682 . 1 1 60 60 LYS C C 13 177.212 0.300 . 1 . . . . 60 LYS C . 10270 1 683 . 1 1 60 60 LYS CA C 13 56.121 0.300 . 1 . . . . 60 LYS CA . 10270 1 684 . 1 1 60 60 LYS CB C 13 32.951 0.300 . 1 . . . . 60 LYS CB . 10270 1 685 . 1 1 60 60 LYS CD C 13 29.038 0.300 . 1 . . . . 60 LYS CD . 10270 1 686 . 1 1 60 60 LYS CE C 13 42.220 0.300 . 1 . . . . 60 LYS CE . 10270 1 687 . 1 1 60 60 LYS CG C 13 24.908 0.300 . 1 . . . . 60 LYS CG . 10270 1 688 . 1 1 60 60 LYS N N 15 117.803 0.300 . 1 . . . . 60 LYS N . 10270 1 689 . 1 1 61 61 GLU H H 1 8.381 0.030 . 1 . . . . 61 GLU H . 10270 1 690 . 1 1 61 61 GLU HA H 1 2.603 0.030 . 1 . . . . 61 GLU HA . 10270 1 691 . 1 1 61 61 GLU HB2 H 1 1.380 0.030 . 2 . . . . 61 GLU HB2 . 10270 1 692 . 1 1 61 61 GLU HB3 H 1 1.303 0.030 . 2 . . . . 61 GLU HB3 . 10270 1 693 . 1 1 61 61 GLU HG2 H 1 1.496 0.030 . 2 . . . . 61 GLU HG2 . 10270 1 694 . 1 1 61 61 GLU HG3 H 1 1.445 0.030 . 2 . . . . 61 GLU HG3 . 10270 1 695 . 1 1 61 61 GLU C C 13 178.058 0.300 . 1 . . . . 61 GLU C . 10270 1 696 . 1 1 61 61 GLU CA C 13 58.622 0.300 . 1 . . . . 61 GLU CA . 10270 1 697 . 1 1 61 61 GLU CB C 13 28.709 0.300 . 1 . . . . 61 GLU CB . 10270 1 698 . 1 1 61 61 GLU CG C 13 35.509 0.300 . 1 . . . . 61 GLU CG . 10270 1 699 . 1 1 61 61 GLU N N 15 122.310 0.300 . 1 . . . . 61 GLU N . 10270 1 700 . 1 1 62 62 GLU H H 1 8.470 0.030 . 1 . . . . 62 GLU H . 10270 1 701 . 1 1 62 62 GLU HA H 1 3.919 0.030 . 1 . . . . 62 GLU HA . 10270 1 702 . 1 1 62 62 GLU HB2 H 1 1.905 0.030 . 1 . . . . 62 GLU HB2 . 10270 1 703 . 1 1 62 62 GLU HB3 H 1 1.905 0.030 . 1 . . . . 62 GLU HB3 . 10270 1 704 . 1 1 62 62 GLU HG2 H 1 2.140 0.030 . 1 . . . . 62 GLU HG2 . 10270 1 705 . 1 1 62 62 GLU HG3 H 1 2.140 0.030 . 1 . . . . 62 GLU HG3 . 10270 1 706 . 1 1 62 62 GLU C C 13 176.293 0.300 . 1 . . . . 62 GLU C . 10270 1 707 . 1 1 62 62 GLU CA C 13 57.899 0.300 . 1 . . . . 62 GLU CA . 10270 1 708 . 1 1 62 62 GLU CB C 13 28.796 0.300 . 1 . . . . 62 GLU CB . 10270 1 709 . 1 1 62 62 GLU CG C 13 35.970 0.300 . 1 . . . . 62 GLU CG . 10270 1 710 . 1 1 62 62 GLU N N 15 117.600 0.300 . 1 . . . . 62 GLU N . 10270 1 711 . 1 1 63 63 ALA H H 1 7.760 0.030 . 1 . . . . 63 ALA H . 10270 1 712 . 1 1 63 63 ALA HA H 1 4.443 0.030 . 1 . . . . 63 ALA HA . 10270 1 713 . 1 1 63 63 ALA HB1 H 1 1.386 0.030 . 1 . . . . 63 ALA HB . 10270 1 714 . 1 1 63 63 ALA HB2 H 1 1.386 0.030 . 1 . . . . 63 ALA HB . 10270 1 715 . 1 1 63 63 ALA HB3 H 1 1.386 0.030 . 1 . . . . 63 ALA HB . 10270 1 716 . 1 1 63 63 ALA C C 13 176.867 0.300 . 1 . . . . 63 ALA C . 10270 1 717 . 1 1 63 63 ALA CA C 13 51.095 0.300 . 1 . . . . 63 ALA CA . 10270 1 718 . 1 1 63 63 ALA CB C 13 18.845 0.300 . 1 . . . . 63 ALA CB . 10270 1 719 . 1 1 63 63 ALA N N 15 123.067 0.300 . 1 . . . . 63 ALA N . 10270 1 720 . 1 1 64 64 ALA H H 1 7.389 0.030 . 1 . . . . 64 ALA H . 10270 1 721 . 1 1 64 64 ALA HA H 1 4.175 0.030 . 1 . . . . 64 ALA HA . 10270 1 722 . 1 1 64 64 ALA HB1 H 1 1.332 0.030 . 1 . . . . 64 ALA HB . 10270 1 723 . 1 1 64 64 ALA HB2 H 1 1.332 0.030 . 1 . . . . 64 ALA HB . 10270 1 724 . 1 1 64 64 ALA HB3 H 1 1.332 0.030 . 1 . . . . 64 ALA HB . 10270 1 725 . 1 1 64 64 ALA C C 13 177.784 0.300 . 1 . . . . 64 ALA C . 10270 1 726 . 1 1 64 64 ALA CA C 13 53.099 0.300 . 1 . . . . 64 ALA CA . 10270 1 727 . 1 1 64 64 ALA CB C 13 19.784 0.300 . 1 . . . . 64 ALA CB . 10270 1 728 . 1 1 64 64 ALA N N 15 121.409 0.300 . 1 . . . . 64 ALA N . 10270 1 729 . 1 1 65 65 ASN H H 1 8.152 0.030 . 1 . . . . 65 ASN H . 10270 1 730 . 1 1 65 65 ASN HA H 1 4.714 0.030 . 1 . . . . 65 ASN HA . 10270 1 731 . 1 1 65 65 ASN HB2 H 1 2.274 0.030 . 2 . . . . 65 ASN HB2 . 10270 1 732 . 1 1 65 65 ASN HB3 H 1 1.551 0.030 . 2 . . . . 65 ASN HB3 . 10270 1 733 . 1 1 65 65 ASN HD21 H 1 7.226 0.030 . 2 . . . . 65 ASN HD21 . 10270 1 734 . 1 1 65 65 ASN HD22 H 1 6.986 0.030 . 2 . . . . 65 ASN HD22 . 10270 1 735 . 1 1 65 65 ASN C C 13 173.533 0.300 . 1 . . . . 65 ASN C . 10270 1 736 . 1 1 65 65 ASN CA C 13 52.523 0.300 . 1 . . . . 65 ASN CA . 10270 1 737 . 1 1 65 65 ASN CB C 13 40.739 0.300 . 1 . . . . 65 ASN CB . 10270 1 738 . 1 1 65 65 ASN N N 15 119.620 0.300 . 1 . . . . 65 ASN N . 10270 1 739 . 1 1 65 65 ASN ND2 N 15 113.582 0.300 . 1 . . . . 65 ASN ND2 . 10270 1 740 . 1 1 66 66 ARG H H 1 8.366 0.030 . 1 . . . . 66 ARG H . 10270 1 741 . 1 1 66 66 ARG HA H 1 5.760 0.030 . 1 . . . . 66 ARG HA . 10270 1 742 . 1 1 66 66 ARG HB2 H 1 1.602 0.030 . 1 . . . . 66 ARG HB2 . 10270 1 743 . 1 1 66 66 ARG HB3 H 1 1.602 0.030 . 1 . . . . 66 ARG HB3 . 10270 1 744 . 1 1 66 66 ARG HD2 H 1 3.032 0.030 . 1 . . . . 66 ARG HD2 . 10270 1 745 . 1 1 66 66 ARG HD3 H 1 3.032 0.030 . 1 . . . . 66 ARG HD3 . 10270 1 746 . 1 1 66 66 ARG HG2 H 1 1.472 0.030 . 2 . . . . 66 ARG HG2 . 10270 1 747 . 1 1 66 66 ARG HG3 H 1 1.356 0.030 . 2 . . . . 66 ARG HG3 . 10270 1 748 . 1 1 66 66 ARG C C 13 175.946 0.300 . 1 . . . . 66 ARG C . 10270 1 749 . 1 1 66 66 ARG CA C 13 54.902 0.300 . 1 . . . . 66 ARG CA . 10270 1 750 . 1 1 66 66 ARG CB C 13 34.116 0.300 . 1 . . . . 66 ARG CB . 10270 1 751 . 1 1 66 66 ARG CD C 13 43.538 0.300 . 1 . . . . 66 ARG CD . 10270 1 752 . 1 1 66 66 ARG CG C 13 27.308 0.300 . 1 . . . . 66 ARG CG . 10270 1 753 . 1 1 66 66 ARG N N 15 116.911 0.300 . 1 . . . . 66 ARG N . 10270 1 754 . 1 1 67 67 VAL H H 1 9.057 0.030 . 1 . . . . 67 VAL H . 10270 1 755 . 1 1 67 67 VAL HA H 1 4.520 0.030 . 1 . . . . 67 VAL HA . 10270 1 756 . 1 1 67 67 VAL HB H 1 2.040 0.030 . 1 . . . . 67 VAL HB . 10270 1 757 . 1 1 67 67 VAL HG11 H 1 1.070 0.030 . 1 . . . . 67 VAL HG1 . 10270 1 758 . 1 1 67 67 VAL HG12 H 1 1.070 0.030 . 1 . . . . 67 VAL HG1 . 10270 1 759 . 1 1 67 67 VAL HG13 H 1 1.070 0.030 . 1 . . . . 67 VAL HG1 . 10270 1 760 . 1 1 67 67 VAL HG21 H 1 1.051 0.030 . 1 . . . . 67 VAL HG2 . 10270 1 761 . 1 1 67 67 VAL HG22 H 1 1.051 0.030 . 1 . . . . 67 VAL HG2 . 10270 1 762 . 1 1 67 67 VAL HG23 H 1 1.051 0.030 . 1 . . . . 67 VAL HG2 . 10270 1 763 . 1 1 67 67 VAL C C 13 173.731 0.300 . 1 . . . . 67 VAL C . 10270 1 764 . 1 1 67 67 VAL CA C 13 60.845 0.300 . 1 . . . . 67 VAL CA . 10270 1 765 . 1 1 67 67 VAL CB C 13 35.917 0.300 . 1 . . . . 67 VAL CB . 10270 1 766 . 1 1 67 67 VAL CG1 C 13 21.549 0.300 . 2 . . . . 67 VAL CG1 . 10270 1 767 . 1 1 67 67 VAL CG2 C 13 21.512 0.300 . 2 . . . . 67 VAL CG2 . 10270 1 768 . 1 1 67 67 VAL N N 15 122.047 0.300 . 1 . . . . 67 VAL N . 10270 1 769 . 1 1 68 68 GLN H H 1 8.741 0.030 . 1 . . . . 68 GLN H . 10270 1 770 . 1 1 68 68 GLN HA H 1 5.543 0.030 . 1 . . . . 68 GLN HA . 10270 1 771 . 1 1 68 68 GLN HB2 H 1 1.996 0.030 . 2 . . . . 68 GLN HB2 . 10270 1 772 . 1 1 68 68 GLN HB3 H 1 1.941 0.030 . 2 . . . . 68 GLN HB3 . 10270 1 773 . 1 1 68 68 GLN HE21 H 1 7.494 0.030 . 2 . . . . 68 GLN HE21 . 10270 1 774 . 1 1 68 68 GLN HE22 H 1 6.690 0.030 . 2 . . . . 68 GLN HE22 . 10270 1 775 . 1 1 68 68 GLN HG2 H 1 2.246 0.030 . 1 . . . . 68 GLN HG2 . 10270 1 776 . 1 1 68 68 GLN HG3 H 1 2.246 0.030 . 1 . . . . 68 GLN HG3 . 10270 1 777 . 1 1 68 68 GLN C C 13 175.452 0.300 . 1 . . . . 68 GLN C . 10270 1 778 . 1 1 68 68 GLN CA C 13 54.462 0.300 . 1 . . . . 68 GLN CA . 10270 1 779 . 1 1 68 68 GLN CB C 13 32.087 0.300 . 1 . . . . 68 GLN CB . 10270 1 780 . 1 1 68 68 GLN CG C 13 34.146 0.300 . 1 . . . . 68 GLN CG . 10270 1 781 . 1 1 68 68 GLN N N 15 124.250 0.300 . 1 . . . . 68 GLN N . 10270 1 782 . 1 1 68 68 GLN NE2 N 15 111.396 0.300 . 1 . . . . 68 GLN NE2 . 10270 1 783 . 1 1 69 69 VAL H H 1 8.912 0.030 . 1 . . . . 69 VAL H . 10270 1 784 . 1 1 69 69 VAL HA H 1 5.012 0.030 . 1 . . . . 69 VAL HA . 10270 1 785 . 1 1 69 69 VAL HB H 1 2.551 0.030 . 1 . . . . 69 VAL HB . 10270 1 786 . 1 1 69 69 VAL HG11 H 1 1.135 0.030 . 1 . . . . 69 VAL HG1 . 10270 1 787 . 1 1 69 69 VAL HG12 H 1 1.135 0.030 . 1 . . . . 69 VAL HG1 . 10270 1 788 . 1 1 69 69 VAL HG13 H 1 1.135 0.030 . 1 . . . . 69 VAL HG1 . 10270 1 789 . 1 1 69 69 VAL HG21 H 1 1.218 0.030 . 1 . . . . 69 VAL HG2 . 10270 1 790 . 1 1 69 69 VAL HG22 H 1 1.218 0.030 . 1 . . . . 69 VAL HG2 . 10270 1 791 . 1 1 69 69 VAL HG23 H 1 1.218 0.030 . 1 . . . . 69 VAL HG2 . 10270 1 792 . 1 1 69 69 VAL C C 13 175.870 0.300 . 1 . . . . 69 VAL C . 10270 1 793 . 1 1 69 69 VAL CA C 13 59.045 0.300 . 1 . . . . 69 VAL CA . 10270 1 794 . 1 1 69 69 VAL CB C 13 35.106 0.300 . 1 . . . . 69 VAL CB . 10270 1 795 . 1 1 69 69 VAL CG1 C 13 21.953 0.300 . 2 . . . . 69 VAL CG1 . 10270 1 796 . 1 1 69 69 VAL CG2 C 13 20.101 0.300 . 2 . . . . 69 VAL CG2 . 10270 1 797 . 1 1 69 69 VAL N N 15 117.045 0.300 . 1 . . . . 69 VAL N . 10270 1 798 . 1 1 70 70 THR H H 1 8.491 0.030 . 1 . . . . 70 THR H . 10270 1 799 . 1 1 70 70 THR HA H 1 4.585 0.030 . 1 . . . . 70 THR HA . 10270 1 800 . 1 1 70 70 THR HB H 1 4.792 0.030 . 1 . . . . 70 THR HB . 10270 1 801 . 1 1 70 70 THR HG21 H 1 1.499 0.030 . 1 . . . . 70 THR HG2 . 10270 1 802 . 1 1 70 70 THR HG22 H 1 1.499 0.030 . 1 . . . . 70 THR HG2 . 10270 1 803 . 1 1 70 70 THR HG23 H 1 1.499 0.030 . 1 . . . . 70 THR HG2 . 10270 1 804 . 1 1 70 70 THR C C 13 175.015 0.300 . 1 . . . . 70 THR C . 10270 1 805 . 1 1 70 70 THR CA C 13 62.917 0.300 . 1 . . . . 70 THR CA . 10270 1 806 . 1 1 70 70 THR CB C 13 70.767 0.300 . 1 . . . . 70 THR CB . 10270 1 807 . 1 1 70 70 THR CG2 C 13 21.434 0.300 . 1 . . . . 70 THR CG2 . 10270 1 808 . 1 1 70 70 THR N N 15 111.495 0.300 . 1 . . . . 70 THR N . 10270 1 809 . 1 1 71 71 SER H H 1 7.522 0.030 . 1 . . . . 71 SER H . 10270 1 810 . 1 1 71 71 SER HA H 1 4.148 0.030 . 1 . . . . 71 SER HA . 10270 1 811 . 1 1 71 71 SER HB2 H 1 3.914 0.030 . 2 . . . . 71 SER HB2 . 10270 1 812 . 1 1 71 71 SER HB3 H 1 3.239 0.030 . 2 . . . . 71 SER HB3 . 10270 1 813 . 1 1 71 71 SER C C 13 174.340 0.300 . 1 . . . . 71 SER C . 10270 1 814 . 1 1 71 71 SER CA C 13 59.749 0.300 . 1 . . . . 71 SER CA . 10270 1 815 . 1 1 71 71 SER CB C 13 63.060 0.300 . 1 . . . . 71 SER CB . 10270 1 816 . 1 1 71 71 SER N N 15 111.553 0.300 . 1 . . . . 71 SER N . 10270 1 817 . 1 1 72 72 GLN H H 1 7.718 0.030 . 1 . . . . 72 GLN H . 10270 1 818 . 1 1 72 72 GLN HA H 1 4.428 0.030 . 1 . . . . 72 GLN HA . 10270 1 819 . 1 1 72 72 GLN HB2 H 1 2.290 0.030 . 2 . . . . 72 GLN HB2 . 10270 1 820 . 1 1 72 72 GLN HB3 H 1 1.996 0.030 . 2 . . . . 72 GLN HB3 . 10270 1 821 . 1 1 72 72 GLN HG2 H 1 2.447 0.030 . 1 . . . . 72 GLN HG2 . 10270 1 822 . 1 1 72 72 GLN HG3 H 1 2.447 0.030 . 1 . . . . 72 GLN HG3 . 10270 1 823 . 1 1 72 72 GLN C C 13 176.456 0.300 . 1 . . . . 72 GLN C . 10270 1 824 . 1 1 72 72 GLN CA C 13 56.630 0.300 . 1 . . . . 72 GLN CA . 10270 1 825 . 1 1 72 72 GLN CB C 13 29.373 0.300 . 1 . . . . 72 GLN CB . 10270 1 826 . 1 1 72 72 GLN CG C 13 34.393 0.300 . 1 . . . . 72 GLN CG . 10270 1 827 . 1 1 72 72 GLN N N 15 117.502 0.300 . 1 . . . . 72 GLN N . 10270 1 828 . 1 1 72 72 GLN NE2 N 15 110.905 0.300 . 1 . . . . 72 GLN NE2 . 10270 1 829 . 1 1 73 73 GLU H H 1 7.650 0.030 . 1 . . . . 73 GLU H . 10270 1 830 . 1 1 73 73 GLU HA H 1 4.408 0.030 . 1 . . . . 73 GLU HA . 10270 1 831 . 1 1 73 73 GLU HB2 H 1 2.344 0.030 . 1 . . . . 73 GLU HB2 . 10270 1 832 . 1 1 73 73 GLU HB3 H 1 2.344 0.030 . 1 . . . . 73 GLU HB3 . 10270 1 833 . 1 1 73 73 GLU HG2 H 1 2.424 0.030 . 1 . . . . 73 GLU HG2 . 10270 1 834 . 1 1 73 73 GLU HG3 H 1 2.424 0.030 . 1 . . . . 73 GLU HG3 . 10270 1 835 . 1 1 73 73 GLU C C 13 176.484 0.300 . 1 . . . . 73 GLU C . 10270 1 836 . 1 1 73 73 GLU CA C 13 56.472 0.300 . 1 . . . . 73 GLU CA . 10270 1 837 . 1 1 73 73 GLU CB C 13 31.962 0.300 . 1 . . . . 73 GLU CB . 10270 1 838 . 1 1 73 73 GLU CG C 13 37.689 0.300 . 1 . . . . 73 GLU CG . 10270 1 839 . 1 1 73 73 GLU N N 15 119.175 0.300 . 1 . . . . 73 GLU N . 10270 1 840 . 1 1 74 74 TYR H H 1 8.615 0.030 . 1 . . . . 74 TYR H . 10270 1 841 . 1 1 74 74 TYR HA H 1 3.427 0.030 . 1 . . . . 74 TYR HA . 10270 1 842 . 1 1 74 74 TYR HB2 H 1 2.785 0.030 . 2 . . . . 74 TYR HB2 . 10270 1 843 . 1 1 74 74 TYR HB3 H 1 2.315 0.030 . 2 . . . . 74 TYR HB3 . 10270 1 844 . 1 1 74 74 TYR HD1 H 1 6.879 0.030 . 1 . . . . 74 TYR HD1 . 10270 1 845 . 1 1 74 74 TYR HD2 H 1 6.879 0.030 . 1 . . . . 74 TYR HD2 . 10270 1 846 . 1 1 74 74 TYR HE1 H 1 6.525 0.030 . 1 . . . . 74 TYR HE1 . 10270 1 847 . 1 1 74 74 TYR HE2 H 1 6.525 0.030 . 1 . . . . 74 TYR HE2 . 10270 1 848 . 1 1 74 74 TYR C C 13 171.853 0.300 . 1 . . . . 74 TYR C . 10270 1 849 . 1 1 74 74 TYR CA C 13 56.565 0.300 . 1 . . . . 74 TYR CA . 10270 1 850 . 1 1 74 74 TYR CB C 13 39.410 0.300 . 1 . . . . 74 TYR CB . 10270 1 851 . 1 1 74 74 TYR CD1 C 13 133.482 0.300 . 1 . . . . 74 TYR CD1 . 10270 1 852 . 1 1 74 74 TYR CD2 C 13 133.482 0.300 . 1 . . . . 74 TYR CD2 . 10270 1 853 . 1 1 74 74 TYR CE1 C 13 117.515 0.300 . 1 . . . . 74 TYR CE1 . 10270 1 854 . 1 1 74 74 TYR CE2 C 13 117.515 0.300 . 1 . . . . 74 TYR CE2 . 10270 1 855 . 1 1 74 74 TYR N N 15 118.997 0.300 . 1 . . . . 74 TYR N . 10270 1 856 . 1 1 75 75 SER H H 1 6.801 0.030 . 1 . . . . 75 SER H . 10270 1 857 . 1 1 75 75 SER HA H 1 5.001 0.030 . 1 . . . . 75 SER HA . 10270 1 858 . 1 1 75 75 SER HB2 H 1 3.478 0.030 . 1 . . . . 75 SER HB2 . 10270 1 859 . 1 1 75 75 SER HB3 H 1 3.478 0.030 . 1 . . . . 75 SER HB3 . 10270 1 860 . 1 1 75 75 SER C C 13 172.976 0.300 . 1 . . . . 75 SER C . 10270 1 861 . 1 1 75 75 SER CA C 13 56.154 0.300 . 1 . . . . 75 SER CA . 10270 1 862 . 1 1 75 75 SER CB C 13 66.541 0.300 . 1 . . . . 75 SER CB . 10270 1 863 . 1 1 75 75 SER N N 15 109.803 0.300 . 1 . . . . 75 SER N . 10270 1 864 . 1 1 76 76 ALA H H 1 8.897 0.030 . 1 . . . . 76 ALA H . 10270 1 865 . 1 1 76 76 ALA HA H 1 4.604 0.030 . 1 . . . . 76 ALA HA . 10270 1 866 . 1 1 76 76 ALA HB1 H 1 1.362 0.030 . 1 . . . . 76 ALA HB . 10270 1 867 . 1 1 76 76 ALA HB2 H 1 1.362 0.030 . 1 . . . . 76 ALA HB . 10270 1 868 . 1 1 76 76 ALA HB3 H 1 1.362 0.030 . 1 . . . . 76 ALA HB . 10270 1 869 . 1 1 76 76 ALA C C 13 174.777 0.300 . 1 . . . . 76 ALA C . 10270 1 870 . 1 1 76 76 ALA CA C 13 51.359 0.300 . 1 . . . . 76 ALA CA . 10270 1 871 . 1 1 76 76 ALA CB C 13 23.140 0.300 . 1 . . . . 76 ALA CB . 10270 1 872 . 1 1 76 76 ALA N N 15 120.416 0.300 . 1 . . . . 76 ALA N . 10270 1 873 . 1 1 77 77 ARG H H 1 8.529 0.030 . 1 . . . . 77 ARG H . 10270 1 874 . 1 1 77 77 ARG HA H 1 4.681 0.030 . 1 . . . . 77 ARG HA . 10270 1 875 . 1 1 77 77 ARG HB2 H 1 1.751 0.030 . 2 . . . . 77 ARG HB2 . 10270 1 876 . 1 1 77 77 ARG HB3 H 1 1.610 0.030 . 2 . . . . 77 ARG HB3 . 10270 1 877 . 1 1 77 77 ARG HD2 H 1 3.152 0.030 . 2 . . . . 77 ARG HD2 . 10270 1 878 . 1 1 77 77 ARG HD3 H 1 3.039 0.030 . 2 . . . . 77 ARG HD3 . 10270 1 879 . 1 1 77 77 ARG HG2 H 1 1.365 0.030 . 2 . . . . 77 ARG HG2 . 10270 1 880 . 1 1 77 77 ARG HG3 H 1 1.318 0.030 . 2 . . . . 77 ARG HG3 . 10270 1 881 . 1 1 77 77 ARG C C 13 174.533 0.300 . 1 . . . . 77 ARG C . 10270 1 882 . 1 1 77 77 ARG CA C 13 54.973 0.300 . 1 . . . . 77 ARG CA . 10270 1 883 . 1 1 77 77 ARG CB C 13 31.839 0.300 . 1 . . . . 77 ARG CB . 10270 1 884 . 1 1 77 77 ARG CD C 13 43.126 0.300 . 1 . . . . 77 ARG CD . 10270 1 885 . 1 1 77 77 ARG CG C 13 27.637 0.300 . 1 . . . . 77 ARG CG . 10270 1 886 . 1 1 77 77 ARG N N 15 121.172 0.300 . 1 . . . . 77 ARG N . 10270 1 887 . 1 1 78 78 LEU H H 1 9.089 0.030 . 1 . . . . 78 LEU H . 10270 1 888 . 1 1 78 78 LEU HA H 1 4.396 0.030 . 1 . . . . 78 LEU HA . 10270 1 889 . 1 1 78 78 LEU HB2 H 1 1.471 0.030 . 2 . . . . 78 LEU HB2 . 10270 1 890 . 1 1 78 78 LEU HB3 H 1 0.489 0.030 . 2 . . . . 78 LEU HB3 . 10270 1 891 . 1 1 78 78 LEU HD11 H 1 -0.038 0.030 . 1 . . . . 78 LEU HD1 . 10270 1 892 . 1 1 78 78 LEU HD12 H 1 -0.038 0.030 . 1 . . . . 78 LEU HD1 . 10270 1 893 . 1 1 78 78 LEU HD13 H 1 -0.038 0.030 . 1 . . . . 78 LEU HD1 . 10270 1 894 . 1 1 78 78 LEU HD21 H 1 0.217 0.030 . 1 . . . . 78 LEU HD2 . 10270 1 895 . 1 1 78 78 LEU HD22 H 1 0.217 0.030 . 1 . . . . 78 LEU HD2 . 10270 1 896 . 1 1 78 78 LEU HD23 H 1 0.217 0.030 . 1 . . . . 78 LEU HD2 . 10270 1 897 . 1 1 78 78 LEU HG H 1 1.250 0.030 . 1 . . . . 78 LEU HG . 10270 1 898 . 1 1 78 78 LEU C C 13 175.107 0.300 . 1 . . . . 78 LEU C . 10270 1 899 . 1 1 78 78 LEU CA C 13 53.333 0.300 . 1 . . . . 78 LEU CA . 10270 1 900 . 1 1 78 78 LEU CB C 13 41.272 0.300 . 1 . . . . 78 LEU CB . 10270 1 901 . 1 1 78 78 LEU CD1 C 13 23.970 0.300 . 2 . . . . 78 LEU CD1 . 10270 1 902 . 1 1 78 78 LEU CD2 C 13 21.874 0.300 . 2 . . . . 78 LEU CD2 . 10270 1 903 . 1 1 78 78 LEU CG C 13 26.430 0.300 . 1 . . . . 78 LEU CG . 10270 1 904 . 1 1 78 78 LEU N N 15 126.698 0.300 . 1 . . . . 78 LEU N . 10270 1 905 . 1 1 79 79 GLU H H 1 8.239 0.030 . 1 . . . . 79 GLU H . 10270 1 906 . 1 1 79 79 GLU HA H 1 5.034 0.030 . 1 . . . . 79 GLU HA . 10270 1 907 . 1 1 79 79 GLU HB2 H 1 1.952 0.030 . 2 . . . . 79 GLU HB2 . 10270 1 908 . 1 1 79 79 GLU HB3 H 1 1.879 0.030 . 2 . . . . 79 GLU HB3 . 10270 1 909 . 1 1 79 79 GLU HG2 H 1 2.052 0.030 . 1 . . . . 79 GLU HG2 . 10270 1 910 . 1 1 79 79 GLU HG3 H 1 2.052 0.030 . 1 . . . . 79 GLU HG3 . 10270 1 911 . 1 1 79 79 GLU C C 13 174.792 0.300 . 1 . . . . 79 GLU C . 10270 1 912 . 1 1 79 79 GLU CA C 13 54.056 0.300 . 1 . . . . 79 GLU CA . 10270 1 913 . 1 1 79 79 GLU CB C 13 33.692 0.300 . 1 . . . . 79 GLU CB . 10270 1 914 . 1 1 79 79 GLU CG C 13 36.453 0.300 . 1 . . . . 79 GLU CG . 10270 1 915 . 1 1 79 79 GLU N N 15 119.147 0.300 . 1 . . . . 79 GLU N . 10270 1 916 . 1 1 80 80 ASN H H 1 9.068 0.030 . 1 . . . . 80 ASN H . 10270 1 917 . 1 1 80 80 ASN HA H 1 4.303 0.030 . 1 . . . . 80 ASN HA . 10270 1 918 . 1 1 80 80 ASN HB2 H 1 3.021 0.030 . 2 . . . . 80 ASN HB2 . 10270 1 919 . 1 1 80 80 ASN HB3 H 1 2.915 0.030 . 2 . . . . 80 ASN HB3 . 10270 1 920 . 1 1 80 80 ASN HD21 H 1 7.689 0.030 . 2 . . . . 80 ASN HD21 . 10270 1 921 . 1 1 80 80 ASN HD22 H 1 6.986 0.030 . 2 . . . . 80 ASN HD22 . 10270 1 922 . 1 1 80 80 ASN C C 13 174.823 0.300 . 1 . . . . 80 ASN C . 10270 1 923 . 1 1 80 80 ASN CA C 13 54.462 0.300 . 1 . . . . 80 ASN CA . 10270 1 924 . 1 1 80 80 ASN CB C 13 37.359 0.300 . 1 . . . . 80 ASN CB . 10270 1 925 . 1 1 80 80 ASN N N 15 113.324 0.300 . 1 . . . . 80 ASN N . 10270 1 926 . 1 1 80 80 ASN ND2 N 15 114.807 0.300 . 1 . . . . 80 ASN ND2 . 10270 1 927 . 1 1 81 81 LEU H H 1 8.671 0.030 . 1 . . . . 81 LEU H . 10270 1 928 . 1 1 81 81 LEU HA H 1 4.252 0.030 . 1 . . . . 81 LEU HA . 10270 1 929 . 1 1 81 81 LEU HB2 H 1 1.274 0.030 . 2 . . . . 81 LEU HB2 . 10270 1 930 . 1 1 81 81 LEU HB3 H 1 1.013 0.030 . 2 . . . . 81 LEU HB3 . 10270 1 931 . 1 1 81 81 LEU HD11 H 1 -0.116 0.030 . 1 . . . . 81 LEU HD1 . 10270 1 932 . 1 1 81 81 LEU HD12 H 1 -0.116 0.030 . 1 . . . . 81 LEU HD1 . 10270 1 933 . 1 1 81 81 LEU HD13 H 1 -0.116 0.030 . 1 . . . . 81 LEU HD1 . 10270 1 934 . 1 1 81 81 LEU HD21 H 1 0.119 0.030 . 1 . . . . 81 LEU HD2 . 10270 1 935 . 1 1 81 81 LEU HD22 H 1 0.119 0.030 . 1 . . . . 81 LEU HD2 . 10270 1 936 . 1 1 81 81 LEU HD23 H 1 0.119 0.030 . 1 . . . . 81 LEU HD2 . 10270 1 937 . 1 1 81 81 LEU HG H 1 1.032 0.030 . 1 . . . . 81 LEU HG . 10270 1 938 . 1 1 81 81 LEU C C 13 175.804 0.300 . 1 . . . . 81 LEU C . 10270 1 939 . 1 1 81 81 LEU CA C 13 53.841 0.300 . 1 . . . . 81 LEU CA . 10270 1 940 . 1 1 81 81 LEU CB C 13 40.891 0.300 . 1 . . . . 81 LEU CB . 10270 1 941 . 1 1 81 81 LEU CD1 C 13 25.999 0.300 . 2 . . . . 81 LEU CD1 . 10270 1 942 . 1 1 81 81 LEU CD2 C 13 21.046 0.300 . 2 . . . . 81 LEU CD2 . 10270 1 943 . 1 1 81 81 LEU CG C 13 26.072 0.300 . 1 . . . . 81 LEU CG . 10270 1 944 . 1 1 81 81 LEU N N 15 117.886 0.300 . 1 . . . . 81 LEU N . 10270 1 945 . 1 1 82 82 LEU H H 1 8.448 0.030 . 1 . . . . 82 LEU H . 10270 1 946 . 1 1 82 82 LEU HA H 1 4.600 0.030 . 1 . . . . 82 LEU HA . 10270 1 947 . 1 1 82 82 LEU HB2 H 1 1.913 0.030 . 2 . . . . 82 LEU HB2 . 10270 1 948 . 1 1 82 82 LEU HB3 H 1 1.477 0.030 . 2 . . . . 82 LEU HB3 . 10270 1 949 . 1 1 82 82 LEU HD11 H 1 1.054 0.030 . 1 . . . . 82 LEU HD1 . 10270 1 950 . 1 1 82 82 LEU HD12 H 1 1.054 0.030 . 1 . . . . 82 LEU HD1 . 10270 1 951 . 1 1 82 82 LEU HD13 H 1 1.054 0.030 . 1 . . . . 82 LEU HD1 . 10270 1 952 . 1 1 82 82 LEU HD21 H 1 0.964 0.030 . 1 . . . . 82 LEU HD2 . 10270 1 953 . 1 1 82 82 LEU HD22 H 1 0.964 0.030 . 1 . . . . 82 LEU HD2 . 10270 1 954 . 1 1 82 82 LEU HD23 H 1 0.964 0.030 . 1 . . . . 82 LEU HD2 . 10270 1 955 . 1 1 82 82 LEU HG H 1 1.863 0.030 . 1 . . . . 82 LEU HG . 10270 1 956 . 1 1 82 82 LEU C C 13 175.149 0.300 . 1 . . . . 82 LEU C . 10270 1 957 . 1 1 82 82 LEU CA C 13 52.629 0.300 . 1 . . . . 82 LEU CA . 10270 1 958 . 1 1 82 82 LEU CB C 13 42.449 0.300 . 1 . . . . 82 LEU CB . 10270 1 959 . 1 1 82 82 LEU CD1 C 13 25.767 0.300 . 2 . . . . 82 LEU CD1 . 10270 1 960 . 1 1 82 82 LEU CD2 C 13 22.920 0.300 . 2 . . . . 82 LEU CD2 . 10270 1 961 . 1 1 82 82 LEU CG C 13 27.119 0.300 . 1 . . . . 82 LEU CG . 10270 1 962 . 1 1 82 82 LEU N N 15 121.118 0.300 . 1 . . . . 82 LEU N . 10270 1 963 . 1 1 83 83 PRO HA H 1 5.237 0.030 . 1 . . . . 83 PRO HA . 10270 1 964 . 1 1 83 83 PRO HB2 H 1 2.363 0.030 . 2 . . . . 83 PRO HB2 . 10270 1 965 . 1 1 83 83 PRO HB3 H 1 1.997 0.030 . 2 . . . . 83 PRO HB3 . 10270 1 966 . 1 1 83 83 PRO HD2 H 1 3.994 0.030 . 2 . . . . 83 PRO HD2 . 10270 1 967 . 1 1 83 83 PRO HD3 H 1 3.619 0.030 . 2 . . . . 83 PRO HD3 . 10270 1 968 . 1 1 83 83 PRO HG2 H 1 2.075 0.030 . 2 . . . . 83 PRO HG2 . 10270 1 969 . 1 1 83 83 PRO HG3 H 1 2.007 0.030 . 2 . . . . 83 PRO HG3 . 10270 1 970 . 1 1 83 83 PRO C C 13 178.145 0.300 . 1 . . . . 83 PRO C . 10270 1 971 . 1 1 83 83 PRO CA C 13 62.472 0.300 . 1 . . . . 83 PRO CA . 10270 1 972 . 1 1 83 83 PRO CB C 13 33.232 0.300 . 1 . . . . 83 PRO CB . 10270 1 973 . 1 1 83 83 PRO CD C 13 50.515 0.300 . 1 . . . . 83 PRO CD . 10270 1 974 . 1 1 83 83 PRO CG C 13 26.978 0.300 . 1 . . . . 83 PRO CG . 10270 1 975 . 1 1 84 84 ASP H H 1 7.943 0.030 . 1 . . . . 84 ASP H . 10270 1 976 . 1 1 84 84 ASP HA H 1 4.208 0.030 . 1 . . . . 84 ASP HA . 10270 1 977 . 1 1 84 84 ASP HB2 H 1 3.130 0.030 . 2 . . . . 84 ASP HB2 . 10270 1 978 . 1 1 84 84 ASP HB3 H 1 2.078 0.030 . 2 . . . . 84 ASP HB3 . 10270 1 979 . 1 1 84 84 ASP C C 13 174.476 0.300 . 1 . . . . 84 ASP C . 10270 1 980 . 1 1 84 84 ASP CA C 13 54.250 0.300 . 1 . . . . 84 ASP CA . 10270 1 981 . 1 1 84 84 ASP CB C 13 41.568 0.300 . 1 . . . . 84 ASP CB . 10270 1 982 . 1 1 84 84 ASP N N 15 126.496 0.300 . 1 . . . . 84 ASP N . 10270 1 983 . 1 1 85 85 THR H H 1 8.261 0.030 . 1 . . . . 85 THR H . 10270 1 984 . 1 1 85 85 THR HA H 1 4.381 0.030 . 1 . . . . 85 THR HA . 10270 1 985 . 1 1 85 85 THR HB H 1 3.830 0.030 . 1 . . . . 85 THR HB . 10270 1 986 . 1 1 85 85 THR HG21 H 1 0.750 0.030 . 1 . . . . 85 THR HG2 . 10270 1 987 . 1 1 85 85 THR HG22 H 1 0.750 0.030 . 1 . . . . 85 THR HG2 . 10270 1 988 . 1 1 85 85 THR HG23 H 1 0.750 0.030 . 1 . . . . 85 THR HG2 . 10270 1 989 . 1 1 85 85 THR C C 13 170.639 0.300 . 1 . . . . 85 THR C . 10270 1 990 . 1 1 85 85 THR CA C 13 62.951 0.300 . 1 . . . . 85 THR CA . 10270 1 991 . 1 1 85 85 THR CB C 13 72.217 0.300 . 1 . . . . 85 THR CB . 10270 1 992 . 1 1 85 85 THR CG2 C 13 20.906 0.300 . 1 . . . . 85 THR CG2 . 10270 1 993 . 1 1 85 85 THR N N 15 114.015 0.300 . 1 . . . . 85 THR N . 10270 1 994 . 1 1 86 86 GLN H H 1 8.221 0.030 . 1 . . . . 86 GLN H . 10270 1 995 . 1 1 86 86 GLN HA H 1 3.664 0.030 . 1 . . . . 86 GLN HA . 10270 1 996 . 1 1 86 86 GLN HB2 H 1 1.583 0.030 . 2 . . . . 86 GLN HB2 . 10270 1 997 . 1 1 86 86 GLN HB3 H 1 0.908 0.030 . 2 . . . . 86 GLN HB3 . 10270 1 998 . 1 1 86 86 GLN HE21 H 1 6.956 0.030 . 2 . . . . 86 GLN HE21 . 10270 1 999 . 1 1 86 86 GLN HE22 H 1 6.654 0.030 . 2 . . . . 86 GLN HE22 . 10270 1 1000 . 1 1 86 86 GLN HG2 H 1 0.984 0.030 . 1 . . . . 86 GLN HG2 . 10270 1 1001 . 1 1 86 86 GLN HG3 H 1 0.984 0.030 . 1 . . . . 86 GLN HG3 . 10270 1 1002 . 1 1 86 86 GLN C C 13 172.890 0.300 . 1 . . . . 86 GLN C . 10270 1 1003 . 1 1 86 86 GLN CA C 13 54.585 0.300 . 1 . . . . 86 GLN CA . 10270 1 1004 . 1 1 86 86 GLN CB C 13 28.836 0.300 . 1 . . . . 86 GLN CB . 10270 1 1005 . 1 1 86 86 GLN CG C 13 32.621 0.300 . 1 . . . . 86 GLN CG . 10270 1 1006 . 1 1 86 86 GLN N N 15 127.039 0.300 . 1 . . . . 86 GLN N . 10270 1 1007 . 1 1 86 86 GLN NE2 N 15 112.954 0.300 . 1 . . . . 86 GLN NE2 . 10270 1 1008 . 1 1 87 87 TYR H H 1 8.976 0.030 . 1 . . . . 87 TYR H . 10270 1 1009 . 1 1 87 87 TYR HA H 1 4.583 0.030 . 1 . . . . 87 TYR HA . 10270 1 1010 . 1 1 87 87 TYR HB2 H 1 2.385 0.030 . 2 . . . . 87 TYR HB2 . 10270 1 1011 . 1 1 87 87 TYR HB3 H 1 2.271 0.030 . 2 . . . . 87 TYR HB3 . 10270 1 1012 . 1 1 87 87 TYR HD1 H 1 6.878 0.030 . 1 . . . . 87 TYR HD1 . 10270 1 1013 . 1 1 87 87 TYR HD2 H 1 6.878 0.030 . 1 . . . . 87 TYR HD2 . 10270 1 1014 . 1 1 87 87 TYR HE1 H 1 6.887 0.030 . 1 . . . . 87 TYR HE1 . 10270 1 1015 . 1 1 87 87 TYR HE2 H 1 6.887 0.030 . 1 . . . . 87 TYR HE2 . 10270 1 1016 . 1 1 87 87 TYR C C 13 173.534 0.300 . 1 . . . . 87 TYR C . 10270 1 1017 . 1 1 87 87 TYR CA C 13 57.599 0.300 . 1 . . . . 87 TYR CA . 10270 1 1018 . 1 1 87 87 TYR CB C 13 42.344 0.300 . 1 . . . . 87 TYR CB . 10270 1 1019 . 1 1 87 87 TYR CD1 C 13 133.491 0.300 . 1 . . . . 87 TYR CD1 . 10270 1 1020 . 1 1 87 87 TYR CD2 C 13 133.491 0.300 . 1 . . . . 87 TYR CD2 . 10270 1 1021 . 1 1 87 87 TYR CE1 C 13 118.309 0.300 . 1 . . . . 87 TYR CE1 . 10270 1 1022 . 1 1 87 87 TYR CE2 C 13 118.309 0.300 . 1 . . . . 87 TYR CE2 . 10270 1 1023 . 1 1 87 87 TYR N N 15 126.060 0.300 . 1 . . . . 87 TYR N . 10270 1 1024 . 1 1 88 88 PHE H H 1 8.388 0.030 . 1 . . . . 88 PHE H . 10270 1 1025 . 1 1 88 88 PHE HA H 1 4.902 0.030 . 1 . . . . 88 PHE HA . 10270 1 1026 . 1 1 88 88 PHE HB2 H 1 2.145 0.030 . 2 . . . . 88 PHE HB2 . 10270 1 1027 . 1 1 88 88 PHE HB3 H 1 0.818 0.030 . 2 . . . . 88 PHE HB3 . 10270 1 1028 . 1 1 88 88 PHE HD1 H 1 6.659 0.030 . 1 . . . . 88 PHE HD1 . 10270 1 1029 . 1 1 88 88 PHE HD2 H 1 6.659 0.030 . 1 . . . . 88 PHE HD2 . 10270 1 1030 . 1 1 88 88 PHE HE1 H 1 7.068 0.030 . 1 . . . . 88 PHE HE1 . 10270 1 1031 . 1 1 88 88 PHE HE2 H 1 7.068 0.030 . 1 . . . . 88 PHE HE2 . 10270 1 1032 . 1 1 88 88 PHE HZ H 1 7.030 0.030 . 1 . . . . 88 PHE HZ . 10270 1 1033 . 1 1 88 88 PHE C C 13 175.238 0.300 . 1 . . . . 88 PHE C . 10270 1 1034 . 1 1 88 88 PHE CA C 13 55.872 0.300 . 1 . . . . 88 PHE CA . 10270 1 1035 . 1 1 88 88 PHE CB C 13 40.284 0.300 . 1 . . . . 88 PHE CB . 10270 1 1036 . 1 1 88 88 PHE CD1 C 13 131.594 0.300 . 1 . . . . 88 PHE CD1 . 10270 1 1037 . 1 1 88 88 PHE CD2 C 13 131.594 0.300 . 1 . . . . 88 PHE CD2 . 10270 1 1038 . 1 1 88 88 PHE CE1 C 13 130.261 0.300 . 1 . . . . 88 PHE CE1 . 10270 1 1039 . 1 1 88 88 PHE CE2 C 13 130.261 0.300 . 1 . . . . 88 PHE CE2 . 10270 1 1040 . 1 1 88 88 PHE CZ C 13 128.848 0.300 . 1 . . . . 88 PHE CZ . 10270 1 1041 . 1 1 88 88 PHE N N 15 118.991 0.300 . 1 . . . . 88 PHE N . 10270 1 1042 . 1 1 89 89 ILE H H 1 8.450 0.030 . 1 . . . . 89 ILE H . 10270 1 1043 . 1 1 89 89 ILE HA H 1 4.913 0.030 . 1 . . . . 89 ILE HA . 10270 1 1044 . 1 1 89 89 ILE HB H 1 1.337 0.030 . 1 . . . . 89 ILE HB . 10270 1 1045 . 1 1 89 89 ILE HD11 H 1 0.453 0.030 . 1 . . . . 89 ILE HD1 . 10270 1 1046 . 1 1 89 89 ILE HD12 H 1 0.453 0.030 . 1 . . . . 89 ILE HD1 . 10270 1 1047 . 1 1 89 89 ILE HD13 H 1 0.453 0.030 . 1 . . . . 89 ILE HD1 . 10270 1 1048 . 1 1 89 89 ILE HG12 H 1 1.309 0.030 . 2 . . . . 89 ILE HG12 . 10270 1 1049 . 1 1 89 89 ILE HG13 H 1 0.670 0.030 . 2 . . . . 89 ILE HG13 . 10270 1 1050 . 1 1 89 89 ILE HG21 H 1 0.613 0.030 . 1 . . . . 89 ILE HG2 . 10270 1 1051 . 1 1 89 89 ILE HG22 H 1 0.613 0.030 . 1 . . . . 89 ILE HG2 . 10270 1 1052 . 1 1 89 89 ILE HG23 H 1 0.613 0.030 . 1 . . . . 89 ILE HG2 . 10270 1 1053 . 1 1 89 89 ILE C C 13 174.770 0.300 . 1 . . . . 89 ILE C . 10270 1 1054 . 1 1 89 89 ILE CA C 13 60.472 0.300 . 1 . . . . 89 ILE CA . 10270 1 1055 . 1 1 89 89 ILE CB C 13 43.167 0.300 . 1 . . . . 89 ILE CB . 10270 1 1056 . 1 1 89 89 ILE CD1 C 13 15.554 0.300 . 1 . . . . 89 ILE CD1 . 10270 1 1057 . 1 1 89 89 ILE CG1 C 13 28.576 0.300 . 1 . . . . 89 ILE CG1 . 10270 1 1058 . 1 1 89 89 ILE CG2 C 13 18.956 0.300 . 1 . . . . 89 ILE CG2 . 10270 1 1059 . 1 1 89 89 ILE N N 15 118.943 0.300 . 1 . . . . 89 ILE N . 10270 1 1060 . 1 1 90 90 GLU H H 1 9.071 0.030 . 1 . . . . 90 GLU H . 10270 1 1061 . 1 1 90 90 GLU HA H 1 4.558 0.030 . 1 . . . . 90 GLU HA . 10270 1 1062 . 1 1 90 90 GLU HB2 H 1 2.053 0.030 . 1 . . . . 90 GLU HB2 . 10270 1 1063 . 1 1 90 90 GLU HB3 H 1 2.053 0.030 . 1 . . . . 90 GLU HB3 . 10270 1 1064 . 1 1 90 90 GLU HG2 H 1 2.437 0.030 . 2 . . . . 90 GLU HG2 . 10270 1 1065 . 1 1 90 90 GLU HG3 H 1 2.255 0.030 . 2 . . . . 90 GLU HG3 . 10270 1 1066 . 1 1 90 90 GLU C C 13 173.981 0.300 . 1 . . . . 90 GLU C . 10270 1 1067 . 1 1 90 90 GLU CA C 13 54.831 0.300 . 1 . . . . 90 GLU CA . 10270 1 1068 . 1 1 90 90 GLU CB C 13 35.052 0.300 . 1 . . . . 90 GLU CB . 10270 1 1069 . 1 1 90 90 GLU CG C 13 36.279 0.300 . 1 . . . . 90 GLU CG . 10270 1 1070 . 1 1 90 90 GLU N N 15 124.044 0.300 . 1 . . . . 90 GLU N . 10270 1 1071 . 1 1 91 91 VAL H H 1 8.564 0.030 . 1 . . . . 91 VAL H . 10270 1 1072 . 1 1 91 91 VAL HA H 1 4.968 0.030 . 1 . . . . 91 VAL HA . 10270 1 1073 . 1 1 91 91 VAL HB H 1 1.389 0.030 . 1 . . . . 91 VAL HB . 10270 1 1074 . 1 1 91 91 VAL HG11 H 1 0.512 0.030 . 1 . . . . 91 VAL HG1 . 10270 1 1075 . 1 1 91 91 VAL HG12 H 1 0.512 0.030 . 1 . . . . 91 VAL HG1 . 10270 1 1076 . 1 1 91 91 VAL HG13 H 1 0.512 0.030 . 1 . . . . 91 VAL HG1 . 10270 1 1077 . 1 1 91 91 VAL HG21 H 1 -0.158 0.030 . 1 . . . . 91 VAL HG2 . 10270 1 1078 . 1 1 91 91 VAL HG22 H 1 -0.158 0.030 . 1 . . . . 91 VAL HG2 . 10270 1 1079 . 1 1 91 91 VAL HG23 H 1 -0.158 0.030 . 1 . . . . 91 VAL HG2 . 10270 1 1080 . 1 1 91 91 VAL C C 13 174.488 0.300 . 1 . . . . 91 VAL C . 10270 1 1081 . 1 1 91 91 VAL CA C 13 60.525 0.300 . 1 . . . . 91 VAL CA . 10270 1 1082 . 1 1 91 91 VAL CB C 13 34.308 0.300 . 1 . . . . 91 VAL CB . 10270 1 1083 . 1 1 91 91 VAL CG1 C 13 21.854 0.300 . 2 . . . . 91 VAL CG1 . 10270 1 1084 . 1 1 91 91 VAL CG2 C 13 19.816 0.300 . 2 . . . . 91 VAL CG2 . 10270 1 1085 . 1 1 91 91 VAL N N 15 121.165 0.300 . 1 . . . . 91 VAL N . 10270 1 1086 . 1 1 92 92 GLY H H 1 8.941 0.030 . 1 . . . . 92 GLY H . 10270 1 1087 . 1 1 92 92 GLY HA2 H 1 4.571 0.030 . 2 . . . . 92 GLY HA2 . 10270 1 1088 . 1 1 92 92 GLY HA3 H 1 3.581 0.030 . 2 . . . . 92 GLY HA3 . 10270 1 1089 . 1 1 92 92 GLY C C 13 171.577 0.300 . 1 . . . . 92 GLY C . 10270 1 1090 . 1 1 92 92 GLY CA C 13 43.640 0.300 . 1 . . . . 92 GLY CA . 10270 1 1091 . 1 1 92 92 GLY N N 15 112.251 0.300 . 1 . . . . 92 GLY N . 10270 1 1092 . 1 1 93 93 ALA H H 1 10.001 0.030 . 1 . . . . 93 ALA H . 10270 1 1093 . 1 1 93 93 ALA HA H 1 4.560 0.030 . 1 . . . . 93 ALA HA . 10270 1 1094 . 1 1 93 93 ALA HB1 H 1 1.319 0.030 . 1 . . . . 93 ALA HB . 10270 1 1095 . 1 1 93 93 ALA HB2 H 1 1.319 0.030 . 1 . . . . 93 ALA HB . 10270 1 1096 . 1 1 93 93 ALA HB3 H 1 1.319 0.030 . 1 . . . . 93 ALA HB . 10270 1 1097 . 1 1 93 93 ALA C C 13 176.786 0.300 . 1 . . . . 93 ALA C . 10270 1 1098 . 1 1 93 93 ALA CA C 13 51.060 0.300 . 1 . . . . 93 ALA CA . 10270 1 1099 . 1 1 93 93 ALA CB C 13 21.088 0.300 . 1 . . . . 93 ALA CB . 10270 1 1100 . 1 1 93 93 ALA N N 15 126.200 0.300 . 1 . . . . 93 ALA N . 10270 1 1101 . 1 1 94 94 CYS H H 1 8.739 0.030 . 1 . . . . 94 CYS H . 10270 1 1102 . 1 1 94 94 CYS HA H 1 5.214 0.030 . 1 . . . . 94 CYS HA . 10270 1 1103 . 1 1 94 94 CYS HB2 H 1 2.788 0.030 . 1 . . . . 94 CYS HB2 . 10270 1 1104 . 1 1 94 94 CYS HB3 H 1 2.788 0.030 . 1 . . . . 94 CYS HB3 . 10270 1 1105 . 1 1 94 94 CYS C C 13 174.087 0.300 . 1 . . . . 94 CYS C . 10270 1 1106 . 1 1 94 94 CYS CA C 13 57.088 0.300 . 1 . . . . 94 CYS CA . 10270 1 1107 . 1 1 94 94 CYS CB C 13 31.345 0.300 . 1 . . . . 94 CYS CB . 10270 1 1108 . 1 1 94 94 CYS N N 15 118.064 0.300 . 1 . . . . 94 CYS N . 10270 1 1109 . 1 1 95 95 ASN H H 1 8.968 0.030 . 1 . . . . 95 ASN H . 10270 1 1110 . 1 1 95 95 ASN HA H 1 4.593 0.030 . 1 . . . . 95 ASN HA . 10270 1 1111 . 1 1 95 95 ASN HB2 H 1 3.414 0.030 . 2 . . . . 95 ASN HB2 . 10270 1 1112 . 1 1 95 95 ASN HB3 H 1 3.315 0.030 . 2 . . . . 95 ASN HB3 . 10270 1 1113 . 1 1 95 95 ASN HD21 H 1 7.719 0.030 . 2 . . . . 95 ASN HD21 . 10270 1 1114 . 1 1 95 95 ASN HD22 H 1 7.340 0.030 . 2 . . . . 95 ASN HD22 . 10270 1 1115 . 1 1 95 95 ASN C C 13 176.009 0.300 . 1 . . . . 95 ASN C . 10270 1 1116 . 1 1 95 95 ASN CA C 13 52.981 0.300 . 1 . . . . 95 ASN CA . 10270 1 1117 . 1 1 95 95 ASN CB C 13 39.336 0.300 . 1 . . . . 95 ASN CB . 10270 1 1118 . 1 1 95 95 ASN N N 15 121.604 0.300 . 1 . . . . 95 ASN N . 10270 1 1119 . 1 1 95 95 ASN ND2 N 15 108.900 0.300 . 1 . . . . 95 ASN ND2 . 10270 1 1120 . 1 1 96 96 SER H H 1 8.483 0.030 . 1 . . . . 96 SER H . 10270 1 1121 . 1 1 96 96 SER HA H 1 4.085 0.030 . 1 . . . . 96 SER HA . 10270 1 1122 . 1 1 96 96 SER HB2 H 1 3.951 0.030 . 1 . . . . 96 SER HB2 . 10270 1 1123 . 1 1 96 96 SER HB3 H 1 3.951 0.030 . 1 . . . . 96 SER HB3 . 10270 1 1124 . 1 1 96 96 SER C C 13 174.700 0.300 . 1 . . . . 96 SER C . 10270 1 1125 . 1 1 96 96 SER CA C 13 61.600 0.300 . 1 . . . . 96 SER CA . 10270 1 1126 . 1 1 96 96 SER CB C 13 62.794 0.300 . 1 . . . . 96 SER CB . 10270 1 1127 . 1 1 96 96 SER N N 15 113.664 0.300 . 1 . . . . 96 SER N . 10270 1 1128 . 1 1 97 97 ALA H H 1 8.187 0.030 . 1 . . . . 97 ALA H . 10270 1 1129 . 1 1 97 97 ALA HA H 1 4.357 0.030 . 1 . . . . 97 ALA HA . 10270 1 1130 . 1 1 97 97 ALA HB1 H 1 1.220 0.030 . 1 . . . . 97 ALA HB . 10270 1 1131 . 1 1 97 97 ALA HB2 H 1 1.220 0.030 . 1 . . . . 97 ALA HB . 10270 1 1132 . 1 1 97 97 ALA HB3 H 1 1.220 0.030 . 1 . . . . 97 ALA HB . 10270 1 1133 . 1 1 97 97 ALA C C 13 177.600 0.300 . 1 . . . . 97 ALA C . 10270 1 1134 . 1 1 97 97 ALA CA C 13 52.681 0.300 . 1 . . . . 97 ALA CA . 10270 1 1135 . 1 1 97 97 ALA CB C 13 19.192 0.300 . 1 . . . . 97 ALA CB . 10270 1 1136 . 1 1 97 97 ALA N N 15 123.374 0.300 . 1 . . . . 97 ALA N . 10270 1 1137 . 1 1 98 98 GLY H H 1 7.800 0.030 . 1 . . . . 98 GLY H . 10270 1 1138 . 1 1 98 98 GLY HA2 H 1 4.444 0.030 . 2 . . . . 98 GLY HA2 . 10270 1 1139 . 1 1 98 98 GLY HA3 H 1 3.840 0.030 . 2 . . . . 98 GLY HA3 . 10270 1 1140 . 1 1 98 98 GLY C C 13 171.071 0.300 . 1 . . . . 98 GLY C . 10270 1 1141 . 1 1 98 98 GLY CA C 13 44.809 0.300 . 1 . . . . 98 GLY CA . 10270 1 1142 . 1 1 98 98 GLY N N 15 106.029 0.300 . 1 . . . . 98 GLY N . 10270 1 1143 . 1 1 99 99 CYS H H 1 8.399 0.030 . 1 . . . . 99 CYS H . 10270 1 1144 . 1 1 99 99 CYS HA H 1 4.891 0.030 . 1 . . . . 99 CYS HA . 10270 1 1145 . 1 1 99 99 CYS HB2 H 1 2.970 0.030 . 2 . . . . 99 CYS HB2 . 10270 1 1146 . 1 1 99 99 CYS HB3 H 1 2.678 0.030 . 2 . . . . 99 CYS HB3 . 10270 1 1147 . 1 1 99 99 CYS C C 13 175.557 0.300 . 1 . . . . 99 CYS C . 10270 1 1148 . 1 1 99 99 CYS CA C 13 57.670 0.300 . 1 . . . . 99 CYS CA . 10270 1 1149 . 1 1 99 99 CYS CB C 13 29.469 0.300 . 1 . . . . 99 CYS CB . 10270 1 1150 . 1 1 99 99 CYS N N 15 117.855 0.300 . 1 . . . . 99 CYS N . 10270 1 1151 . 1 1 100 100 GLY H H 1 8.930 0.030 . 1 . . . . 100 GLY H . 10270 1 1152 . 1 1 100 100 GLY HA2 H 1 4.282 0.030 . 2 . . . . 100 GLY HA2 . 10270 1 1153 . 1 1 100 100 GLY HA3 H 1 3.764 0.030 . 2 . . . . 100 GLY HA3 . 10270 1 1154 . 1 1 100 100 GLY C C 13 170.974 0.300 . 1 . . . . 100 GLY C . 10270 1 1155 . 1 1 100 100 GLY CA C 13 45.578 0.300 . 1 . . . . 100 GLY CA . 10270 1 1156 . 1 1 100 100 GLY N N 15 113.025 0.300 . 1 . . . . 100 GLY N . 10270 1 1157 . 1 1 101 101 PRO HA H 1 4.616 0.030 . 1 . . . . 101 PRO HA . 10270 1 1158 . 1 1 101 101 PRO HB2 H 1 2.275 0.030 . 2 . . . . 101 PRO HB2 . 10270 1 1159 . 1 1 101 101 PRO HB3 H 1 1.874 0.030 . 2 . . . . 101 PRO HB3 . 10270 1 1160 . 1 1 101 101 PRO HD2 H 1 3.437 0.030 . 2 . . . . 101 PRO HD2 . 10270 1 1161 . 1 1 101 101 PRO HD3 H 1 3.052 0.030 . 2 . . . . 101 PRO HD3 . 10270 1 1162 . 1 1 101 101 PRO HG2 H 1 1.944 0.030 . 2 . . . . 101 PRO HG2 . 10270 1 1163 . 1 1 101 101 PRO HG3 H 1 1.850 0.030 . 2 . . . . 101 PRO HG3 . 10270 1 1164 . 1 1 101 101 PRO CA C 13 60.598 0.300 . 1 . . . . 101 PRO CA . 10270 1 1165 . 1 1 101 101 PRO CB C 13 30.874 0.300 . 1 . . . . 101 PRO CB . 10270 1 1166 . 1 1 101 101 PRO CD C 13 49.553 0.300 . 1 . . . . 101 PRO CD . 10270 1 1167 . 1 1 101 101 PRO CG C 13 27.261 0.300 . 1 . . . . 101 PRO CG . 10270 1 1168 . 1 1 102 102 PRO HA H 1 4.659 0.030 . 1 . . . . 102 PRO HA . 10270 1 1169 . 1 1 102 102 PRO HB2 H 1 2.125 0.030 . 2 . . . . 102 PRO HB2 . 10270 1 1170 . 1 1 102 102 PRO HB3 H 1 1.997 0.030 . 2 . . . . 102 PRO HB3 . 10270 1 1171 . 1 1 102 102 PRO HD2 H 1 3.664 0.030 . 1 . . . . 102 PRO HD2 . 10270 1 1172 . 1 1 102 102 PRO HD3 H 1 3.664 0.030 . 1 . . . . 102 PRO HD3 . 10270 1 1173 . 1 1 102 102 PRO HG2 H 1 1.996 0.030 . 1 . . . . 102 PRO HG2 . 10270 1 1174 . 1 1 102 102 PRO HG3 H 1 1.996 0.030 . 1 . . . . 102 PRO HG3 . 10270 1 1175 . 1 1 102 102 PRO C C 13 178.078 0.300 . 1 . . . . 102 PRO C . 10270 1 1176 . 1 1 102 102 PRO CA C 13 62.111 0.300 . 1 . . . . 102 PRO CA . 10270 1 1177 . 1 1 102 102 PRO CB C 13 32.383 0.300 . 1 . . . . 102 PRO CB . 10270 1 1178 . 1 1 102 102 PRO CD C 13 49.970 0.300 . 1 . . . . 102 PRO CD . 10270 1 1179 . 1 1 102 102 PRO CG C 13 27.067 0.300 . 1 . . . . 102 PRO CG . 10270 1 1180 . 1 1 103 103 SER H H 1 8.732 0.030 . 1 . . . . 103 SER H . 10270 1 1181 . 1 1 103 103 SER HA H 1 4.222 0.030 . 1 . . . . 103 SER HA . 10270 1 1182 . 1 1 103 103 SER HB2 H 1 4.268 0.030 . 2 . . . . 103 SER HB2 . 10270 1 1183 . 1 1 103 103 SER HB3 H 1 3.898 0.030 . 2 . . . . 103 SER HB3 . 10270 1 1184 . 1 1 103 103 SER C C 13 173.155 0.300 . 1 . . . . 103 SER C . 10270 1 1185 . 1 1 103 103 SER CA C 13 58.321 0.300 . 1 . . . . 103 SER CA . 10270 1 1186 . 1 1 103 103 SER CB C 13 65.815 0.300 . 1 . . . . 103 SER CB . 10270 1 1187 . 1 1 103 103 SER N N 15 113.387 0.300 . 1 . . . . 103 SER N . 10270 1 1188 . 1 1 104 104 ASP H H 1 8.248 0.030 . 1 . . . . 104 ASP H . 10270 1 1189 . 1 1 104 104 ASP HA H 1 4.472 0.030 . 1 . . . . 104 ASP HA . 10270 1 1190 . 1 1 104 104 ASP HB2 H 1 2.729 0.030 . 2 . . . . 104 ASP HB2 . 10270 1 1191 . 1 1 104 104 ASP HB3 H 1 2.546 0.030 . 2 . . . . 104 ASP HB3 . 10270 1 1192 . 1 1 104 104 ASP C C 13 176.703 0.300 . 1 . . . . 104 ASP C . 10270 1 1193 . 1 1 104 104 ASP CA C 13 55.573 0.300 . 1 . . . . 104 ASP CA . 10270 1 1194 . 1 1 104 104 ASP CB C 13 40.583 0.300 . 1 . . . . 104 ASP CB . 10270 1 1195 . 1 1 104 104 ASP N N 15 119.021 0.300 . 1 . . . . 104 ASP N . 10270 1 1196 . 1 1 105 105 MET H H 1 8.460 0.030 . 1 . . . . 105 MET H . 10270 1 1197 . 1 1 105 105 MET HA H 1 4.542 0.030 . 1 . . . . 105 MET HA . 10270 1 1198 . 1 1 105 105 MET HB2 H 1 2.249 0.030 . 2 . . . . 105 MET HB2 . 10270 1 1199 . 1 1 105 105 MET HB3 H 1 2.078 0.030 . 2 . . . . 105 MET HB3 . 10270 1 1200 . 1 1 105 105 MET HE1 H 1 1.911 0.030 . 1 . . . . 105 MET HE . 10270 1 1201 . 1 1 105 105 MET HE2 H 1 1.911 0.030 . 1 . . . . 105 MET HE . 10270 1 1202 . 1 1 105 105 MET HE3 H 1 1.911 0.030 . 1 . . . . 105 MET HE . 10270 1 1203 . 1 1 105 105 MET HG2 H 1 2.417 0.030 . 1 . . . . 105 MET HG2 . 10270 1 1204 . 1 1 105 105 MET HG3 H 1 2.417 0.030 . 1 . . . . 105 MET HG3 . 10270 1 1205 . 1 1 105 105 MET C C 13 175.687 0.300 . 1 . . . . 105 MET C . 10270 1 1206 . 1 1 105 105 MET CA C 13 56.348 0.300 . 1 . . . . 105 MET CA . 10270 1 1207 . 1 1 105 105 MET CB C 13 33.610 0.300 . 1 . . . . 105 MET CB . 10270 1 1208 . 1 1 105 105 MET CE C 13 16.796 0.300 . 1 . . . . 105 MET CE . 10270 1 1209 . 1 1 105 105 MET CG C 13 31.284 0.300 . 1 . . . . 105 MET CG . 10270 1 1210 . 1 1 105 105 MET N N 15 124.915 0.300 . 1 . . . . 105 MET N . 10270 1 1211 . 1 1 106 106 ILE H H 1 8.914 0.030 . 1 . . . . 106 ILE H . 10270 1 1212 . 1 1 106 106 ILE HA H 1 4.571 0.030 . 1 . . . . 106 ILE HA . 10270 1 1213 . 1 1 106 106 ILE HB H 1 1.760 0.030 . 1 . . . . 106 ILE HB . 10270 1 1214 . 1 1 106 106 ILE HD11 H 1 0.751 0.030 . 1 . . . . 106 ILE HD1 . 10270 1 1215 . 1 1 106 106 ILE HD12 H 1 0.751 0.030 . 1 . . . . 106 ILE HD1 . 10270 1 1216 . 1 1 106 106 ILE HD13 H 1 0.751 0.030 . 1 . . . . 106 ILE HD1 . 10270 1 1217 . 1 1 106 106 ILE HG12 H 1 1.359 0.030 . 2 . . . . 106 ILE HG12 . 10270 1 1218 . 1 1 106 106 ILE HG13 H 1 1.237 0.030 . 2 . . . . 106 ILE HG13 . 10270 1 1219 . 1 1 106 106 ILE HG21 H 1 0.865 0.030 . 1 . . . . 106 ILE HG2 . 10270 1 1220 . 1 1 106 106 ILE HG22 H 1 0.865 0.030 . 1 . . . . 106 ILE HG2 . 10270 1 1221 . 1 1 106 106 ILE HG23 H 1 0.865 0.030 . 1 . . . . 106 ILE HG2 . 10270 1 1222 . 1 1 106 106 ILE C C 13 173.498 0.300 . 1 . . . . 106 ILE C . 10270 1 1223 . 1 1 106 106 ILE CA C 13 59.185 0.300 . 1 . . . . 106 ILE CA . 10270 1 1224 . 1 1 106 106 ILE CB C 13 40.786 0.300 . 1 . . . . 106 ILE CB . 10270 1 1225 . 1 1 106 106 ILE CD1 C 13 13.927 0.300 . 1 . . . . 106 ILE CD1 . 10270 1 1226 . 1 1 106 106 ILE CG1 C 13 27.616 0.300 . 1 . . . . 106 ILE CG1 . 10270 1 1227 . 1 1 106 106 ILE CG2 C 13 18.109 0.300 . 1 . . . . 106 ILE CG2 . 10270 1 1228 . 1 1 106 106 ILE N N 15 126.141 0.300 . 1 . . . . 106 ILE N . 10270 1 1229 . 1 1 107 107 GLU H H 1 7.999 0.030 . 1 . . . . 107 GLU H . 10270 1 1230 . 1 1 107 107 GLU HA H 1 5.373 0.030 . 1 . . . . 107 GLU HA . 10270 1 1231 . 1 1 107 107 GLU HB2 H 1 1.743 0.030 . 2 . . . . 107 GLU HB2 . 10270 1 1232 . 1 1 107 107 GLU HB3 H 1 1.644 0.030 . 2 . . . . 107 GLU HB3 . 10270 1 1233 . 1 1 107 107 GLU HG2 H 1 2.000 0.030 . 2 . . . . 107 GLU HG2 . 10270 1 1234 . 1 1 107 107 GLU HG3 H 1 1.970 0.030 . 2 . . . . 107 GLU HG3 . 10270 1 1235 . 1 1 107 107 GLU C C 13 175.263 0.300 . 1 . . . . 107 GLU C . 10270 1 1236 . 1 1 107 107 GLU CA C 13 53.343 0.300 . 1 . . . . 107 GLU CA . 10270 1 1237 . 1 1 107 107 GLU CB C 13 32.951 0.300 . 1 . . . . 107 GLU CB . 10270 1 1238 . 1 1 107 107 GLU CG C 13 35.597 0.300 . 1 . . . . 107 GLU CG . 10270 1 1239 . 1 1 107 107 GLU N N 15 121.346 0.300 . 1 . . . . 107 GLU N . 10270 1 1240 . 1 1 108 108 ALA H H 1 8.685 0.030 . 1 . . . . 108 ALA H . 10270 1 1241 . 1 1 108 108 ALA HA H 1 4.549 0.030 . 1 . . . . 108 ALA HA . 10270 1 1242 . 1 1 108 108 ALA HB1 H 1 1.094 0.030 . 1 . . . . 108 ALA HB . 10270 1 1243 . 1 1 108 108 ALA HB2 H 1 1.094 0.030 . 1 . . . . 108 ALA HB . 10270 1 1244 . 1 1 108 108 ALA HB3 H 1 1.094 0.030 . 1 . . . . 108 ALA HB . 10270 1 1245 . 1 1 108 108 ALA C C 13 174.431 0.300 . 1 . . . . 108 ALA C . 10270 1 1246 . 1 1 108 108 ALA CA C 13 51.113 0.300 . 1 . . . . 108 ALA CA . 10270 1 1247 . 1 1 108 108 ALA CB C 13 23.724 0.300 . 1 . . . . 108 ALA CB . 10270 1 1248 . 1 1 108 108 ALA N N 15 123.009 0.300 . 1 . . . . 108 ALA N . 10270 1 1249 . 1 1 109 109 PHE H H 1 8.519 0.030 . 1 . . . . 109 PHE H . 10270 1 1250 . 1 1 109 109 PHE HA H 1 5.481 0.030 . 1 . . . . 109 PHE HA . 10270 1 1251 . 1 1 109 109 PHE HB2 H 1 2.875 0.030 . 2 . . . . 109 PHE HB2 . 10270 1 1252 . 1 1 109 109 PHE HB3 H 1 2.770 0.030 . 2 . . . . 109 PHE HB3 . 10270 1 1253 . 1 1 109 109 PHE HD1 H 1 7.088 0.030 . 1 . . . . 109 PHE HD1 . 10270 1 1254 . 1 1 109 109 PHE HD2 H 1 7.088 0.030 . 1 . . . . 109 PHE HD2 . 10270 1 1255 . 1 1 109 109 PHE HE1 H 1 7.244 0.030 . 1 . . . . 109 PHE HE1 . 10270 1 1256 . 1 1 109 109 PHE HE2 H 1 7.244 0.030 . 1 . . . . 109 PHE HE2 . 10270 1 1257 . 1 1 109 109 PHE HZ H 1 7.147 0.030 . 1 . . . . 109 PHE HZ . 10270 1 1258 . 1 1 109 109 PHE C C 13 177.604 0.300 . 1 . . . . 109 PHE C . 10270 1 1259 . 1 1 109 109 PHE CA C 13 55.854 0.300 . 1 . . . . 109 PHE CA . 10270 1 1260 . 1 1 109 109 PHE CB C 13 41.019 0.300 . 1 . . . . 109 PHE CB . 10270 1 1261 . 1 1 109 109 PHE CD1 C 13 131.716 0.300 . 1 . . . . 109 PHE CD1 . 10270 1 1262 . 1 1 109 109 PHE CD2 C 13 131.716 0.300 . 1 . . . . 109 PHE CD2 . 10270 1 1263 . 1 1 109 109 PHE CE1 C 13 131.539 0.300 . 1 . . . . 109 PHE CE1 . 10270 1 1264 . 1 1 109 109 PHE CE2 C 13 131.539 0.300 . 1 . . . . 109 PHE CE2 . 10270 1 1265 . 1 1 109 109 PHE CZ C 13 129.600 0.300 . 1 . . . . 109 PHE CZ . 10270 1 1266 . 1 1 109 109 PHE N N 15 119.997 0.300 . 1 . . . . 109 PHE N . 10270 1 1267 . 1 1 110 110 THR H H 1 8.839 0.030 . 1 . . . . 110 THR H . 10270 1 1268 . 1 1 110 110 THR HA H 1 4.103 0.030 . 1 . . . . 110 THR HA . 10270 1 1269 . 1 1 110 110 THR HB H 1 4.560 0.030 . 1 . . . . 110 THR HB . 10270 1 1270 . 1 1 110 110 THR HG21 H 1 1.091 0.030 . 1 . . . . 110 THR HG2 . 10270 1 1271 . 1 1 110 110 THR HG22 H 1 1.091 0.030 . 1 . . . . 110 THR HG2 . 10270 1 1272 . 1 1 110 110 THR HG23 H 1 1.091 0.030 . 1 . . . . 110 THR HG2 . 10270 1 1273 . 1 1 110 110 THR C C 13 175.354 0.300 . 1 . . . . 110 THR C . 10270 1 1274 . 1 1 110 110 THR CA C 13 61.763 0.300 . 1 . . . . 110 THR CA . 10270 1 1275 . 1 1 110 110 THR CB C 13 69.356 0.300 . 1 . . . . 110 THR CB . 10270 1 1276 . 1 1 110 110 THR CG2 C 13 25.001 0.300 . 1 . . . . 110 THR CG2 . 10270 1 1277 . 1 1 110 110 THR N N 15 112.067 0.300 . 1 . . . . 110 THR N . 10270 1 1278 . 1 1 111 111 LYS H H 1 6.542 0.030 . 1 . . . . 111 LYS H . 10270 1 1279 . 1 1 111 111 LYS HA H 1 4.208 0.030 . 1 . . . . 111 LYS HA . 10270 1 1280 . 1 1 111 111 LYS HB2 H 1 2.052 0.030 . 2 . . . . 111 LYS HB2 . 10270 1 1281 . 1 1 111 111 LYS HB3 H 1 1.190 0.030 . 2 . . . . 111 LYS HB3 . 10270 1 1282 . 1 1 111 111 LYS HD2 H 1 1.669 0.030 . 2 . . . . 111 LYS HD2 . 10270 1 1283 . 1 1 111 111 LYS HD3 H 1 1.493 0.030 . 2 . . . . 111 LYS HD3 . 10270 1 1284 . 1 1 111 111 LYS HE2 H 1 2.873 0.030 . 2 . . . . 111 LYS HE2 . 10270 1 1285 . 1 1 111 111 LYS HE3 H 1 2.818 0.030 . 2 . . . . 111 LYS HE3 . 10270 1 1286 . 1 1 111 111 LYS HG2 H 1 1.398 0.030 . 2 . . . . 111 LYS HG2 . 10270 1 1287 . 1 1 111 111 LYS HG3 H 1 1.312 0.030 . 2 . . . . 111 LYS HG3 . 10270 1 1288 . 1 1 111 111 LYS C C 13 176.693 0.300 . 1 . . . . 111 LYS C . 10270 1 1289 . 1 1 111 111 LYS CA C 13 56.383 0.300 . 1 . . . . 111 LYS CA . 10270 1 1290 . 1 1 111 111 LYS CB C 13 33.447 0.300 . 1 . . . . 111 LYS CB . 10270 1 1291 . 1 1 111 111 LYS CD C 13 29.296 0.300 . 1 . . . . 111 LYS CD . 10270 1 1292 . 1 1 111 111 LYS CE C 13 42.055 0.300 . 1 . . . . 111 LYS CE . 10270 1 1293 . 1 1 111 111 LYS CG C 13 25.692 0.300 . 1 . . . . 111 LYS CG . 10270 1 1294 . 1 1 111 111 LYS N N 15 116.497 0.300 . 1 . . . . 111 LYS N . 10270 1 1295 . 1 1 112 112 LYS H H 1 8.230 0.030 . 1 . . . . 112 LYS H . 10270 1 1296 . 1 1 112 112 LYS HA H 1 4.143 0.030 . 1 . . . . 112 LYS HA . 10270 1 1297 . 1 1 112 112 LYS HB2 H 1 1.841 0.030 . 2 . . . . 112 LYS HB2 . 10270 1 1298 . 1 1 112 112 LYS HB3 H 1 1.653 0.030 . 2 . . . . 112 LYS HB3 . 10270 1 1299 . 1 1 112 112 LYS HD2 H 1 1.644 0.030 . 2 . . . . 112 LYS HD2 . 10270 1 1300 . 1 1 112 112 LYS HD3 H 1 1.489 0.030 . 2 . . . . 112 LYS HD3 . 10270 1 1301 . 1 1 112 112 LYS HE2 H 1 2.960 0.030 . 2 . . . . 112 LYS HE2 . 10270 1 1302 . 1 1 112 112 LYS HG2 H 1 1.500 0.030 . 2 . . . . 112 LYS HG2 . 10270 1 1303 . 1 1 112 112 LYS HG3 H 1 1.391 0.030 . 2 . . . . 112 LYS HG3 . 10270 1 1304 . 1 1 112 112 LYS C C 13 176.823 0.300 . 1 . . . . 112 LYS C . 10270 1 1305 . 1 1 112 112 LYS CA C 13 57.229 0.300 . 1 . . . . 112 LYS CA . 10270 1 1306 . 1 1 112 112 LYS CB C 13 33.528 0.300 . 1 . . . . 112 LYS CB . 10270 1 1307 . 1 1 112 112 LYS CD C 13 29.304 0.300 . 1 . . . . 112 LYS CD . 10270 1 1308 . 1 1 112 112 LYS CE C 13 42.302 0.300 . 1 . . . . 112 LYS CE . 10270 1 1309 . 1 1 112 112 LYS CG C 13 25.745 0.300 . 1 . . . . 112 LYS CG . 10270 1 1310 . 1 1 112 112 LYS N N 15 118.783 0.300 . 1 . . . . 112 LYS N . 10270 1 1311 . 1 1 113 113 ALA H H 1 8.762 0.030 . 1 . . . . 113 ALA H . 10270 1 1312 . 1 1 113 113 ALA HA H 1 4.338 0.030 . 1 . . . . 113 ALA HA . 10270 1 1313 . 1 1 113 113 ALA HB1 H 1 1.402 0.030 . 1 . . . . 113 ALA HB . 10270 1 1314 . 1 1 113 113 ALA HB2 H 1 1.402 0.030 . 1 . . . . 113 ALA HB . 10270 1 1315 . 1 1 113 113 ALA HB3 H 1 1.402 0.030 . 1 . . . . 113 ALA HB . 10270 1 1316 . 1 1 113 113 ALA C C 13 177.688 0.300 . 1 . . . . 113 ALA C . 10270 1 1317 . 1 1 113 113 ALA CA C 13 52.417 0.300 . 1 . . . . 113 ALA CA . 10270 1 1318 . 1 1 113 113 ALA CB C 13 19.272 0.300 . 1 . . . . 113 ALA CB . 10270 1 1319 . 1 1 113 113 ALA N N 15 124.432 0.300 . 1 . . . . 113 ALA N . 10270 1 1320 . 1 1 114 114 SER H H 1 8.386 0.030 . 1 . . . . 114 SER H . 10270 1 1321 . 1 1 114 114 SER HA H 1 4.487 0.030 . 1 . . . . 114 SER HA . 10270 1 1322 . 1 1 114 114 SER HB2 H 1 3.874 0.030 . 1 . . . . 114 SER HB2 . 10270 1 1323 . 1 1 114 114 SER HB3 H 1 3.874 0.030 . 1 . . . . 114 SER HB3 . 10270 1 1324 . 1 1 114 114 SER C C 13 174.474 0.300 . 1 . . . . 114 SER C . 10270 1 1325 . 1 1 114 114 SER CA C 13 58.063 0.300 . 1 . . . . 114 SER CA . 10270 1 1326 . 1 1 114 114 SER CB C 13 64.012 0.300 . 1 . . . . 114 SER CB . 10270 1 1327 . 1 1 114 114 SER N N 15 115.798 0.300 . 1 . . . . 114 SER N . 10270 1 1328 . 1 1 115 115 GLY H H 1 8.278 0.030 . 1 . . . . 115 GLY H . 10270 1 1329 . 1 1 115 115 GLY HA2 H 1 4.172 0.030 . 2 . . . . 115 GLY HA2 . 10270 1 1330 . 1 1 115 115 GLY HA3 H 1 4.094 0.030 . 2 . . . . 115 GLY HA3 . 10270 1 1331 . 1 1 115 115 GLY C C 13 171.799 0.300 . 1 . . . . 115 GLY C . 10270 1 1332 . 1 1 115 115 GLY CA C 13 44.662 0.300 . 1 . . . . 115 GLY CA . 10270 1 1333 . 1 1 115 115 GLY N N 15 110.600 0.300 . 1 . . . . 115 GLY N . 10270 1 1334 . 1 1 116 116 PRO HA H 1 4.472 0.030 . 1 . . . . 116 PRO HA . 10270 1 1335 . 1 1 116 116 PRO HB2 H 1 2.296 0.030 . 1 . . . . 116 PRO HB2 . 10270 1 1336 . 1 1 116 116 PRO HB3 H 1 2.296 0.030 . 1 . . . . 116 PRO HB3 . 10270 1 1337 . 1 1 116 116 PRO HD2 H 1 3.625 0.030 . 1 . . . . 116 PRO HD2 . 10270 1 1338 . 1 1 116 116 PRO HD3 H 1 3.625 0.030 . 1 . . . . 116 PRO HD3 . 10270 1 1339 . 1 1 116 116 PRO HG2 H 1 2.005 0.030 . 1 . . . . 116 PRO HG2 . 10270 1 1340 . 1 1 116 116 PRO HG3 H 1 2.005 0.030 . 1 . . . . 116 PRO HG3 . 10270 1 1341 . 1 1 116 116 PRO C C 13 177.440 0.300 . 1 . . . . 116 PRO C . 10270 1 1342 . 1 1 116 116 PRO CA C 13 63.275 0.300 . 1 . . . . 116 PRO CA . 10270 1 1343 . 1 1 116 116 PRO CB C 13 32.169 0.300 . 1 . . . . 116 PRO CB . 10270 1 1344 . 1 1 116 116 PRO CD C 13 49.815 0.300 . 1 . . . . 116 PRO CD . 10270 1 1345 . 1 1 116 116 PRO CG C 13 27.131 0.300 . 1 . . . . 116 PRO CG . 10270 1 1346 . 1 1 117 117 SER HA H 1 4.505 0.030 . 1 . . . . 117 SER HA . 10270 1 1347 . 1 1 117 117 SER HB2 H 1 3.911 0.030 . 2 . . . . 117 SER HB2 . 10270 1 1348 . 1 1 117 117 SER C C 13 174.652 0.300 . 1 . . . . 117 SER C . 10270 1 1349 . 1 1 117 117 SER CA C 13 58.393 0.300 . 1 . . . . 117 SER CA . 10270 1 1350 . 1 1 117 117 SER CB C 13 63.899 0.300 . 1 . . . . 117 SER CB . 10270 1 1351 . 1 1 117 117 SER N N 15 116.140 0.300 . 1 . . . . 117 SER N . 10270 1 1352 . 1 1 118 118 SER H H 1 8.314 0.030 . 1 . . . . 118 SER H . 10270 1 1353 . 1 1 118 118 SER HA H 1 4.494 0.030 . 1 . . . . 118 SER HA . 10270 1 1354 . 1 1 118 118 SER HB2 H 1 3.878 0.030 . 2 . . . . 118 SER HB2 . 10270 1 1355 . 1 1 118 118 SER C C 13 173.938 0.300 . 1 . . . . 118 SER C . 10270 1 1356 . 1 1 118 118 SER CA C 13 58.428 0.300 . 1 . . . . 118 SER CA . 10270 1 1357 . 1 1 118 118 SER CB C 13 63.929 0.300 . 1 . . . . 118 SER CB . 10270 1 1358 . 1 1 118 118 SER N N 15 117.760 0.300 . 1 . . . . 118 SER N . 10270 1 1359 . 1 1 119 119 GLY H H 1 8.053 0.030 . 1 . . . . 119 GLY H . 10270 1 1360 . 1 1 119 119 GLY C C 13 179.033 0.300 . 1 . . . . 119 GLY C . 10270 1 1361 . 1 1 119 119 GLY CA C 13 46.178 0.300 . 1 . . . . 119 GLY CA . 10270 1 1362 . 1 1 119 119 GLY N N 15 116.860 0.300 . 1 . . . . 119 GLY N . 10270 1 stop_ save_