data_17612 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 17612 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 . . . 17612 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17612 _Entry.Title ; Solution NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-29 _Entry.Accession_date 2011-04-29 _Entry.Last_release_date 2011-06-01 _Entry.Original_release_date 2011-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Jeffrey Mills . L. . 17612 2 Grant Murphy . . . 17612 3 Mike Miley . . . 17612 4 Mischa Machius . . . 17612 5 Brian Kuhlman . . . 17612 6 Thomas Szyperski . . . 17612 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17612 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17612 'Protein NMR' . 17612 'Protein Structure Initiative' . 17612 PSI-2 . 17612 'Structural Genomics' . 17612 'Target OR38' . 17612 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17612 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 17612 '15N chemical shifts' 112 17612 '1H chemical shifts' 835 17612 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-06-01 2011-04-29 original author . 17612 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCH 'BMRB Entry Tracking System' 17612 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17612 _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 NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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 Jeffrey Mills . L. . 17612 1 2 Grant Murphy . . . 17612 1 3 Mike Miley . . . 17612 1 4 Mischa Machius . . . 17612 1 5 Brian Kuhlman . . . 17612 1 6 Thomas Szyperski . . . 17612 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17612 _Assembly.ID 1 _Assembly.Name OR38 _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 OR38 1 $OR38 A . yes native no no . . . 17612 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR38 _Entity.Sf_category entity _Entity.Sf_framecode OR38 _Entity.Entry_ID 17612 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR38 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSHQEYIKKVTDELKELIQ NVNDDIKEVEKNPEDMEYWN KIYRLVHTMKEITETMGFSS VAKVLHTIMNLVDKMLNSEI KITSDLIDKVKKKLDMVTRE LDKKVSGSYLVPR ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13266.547 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LCH . "Solution Nmr Structure Of A Protein With A Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target Or38" . . . . . 100.00 113 100.00 100.00 6.68e-73 . . . . 17612 1 2 no PDB 3U3B . "Crystal Structure Of Computationally Redesigned Four-Helix Bundle" . . . . . 100.00 113 100.00 100.00 6.68e-73 . . . . 17612 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 . MET . 17612 1 2 . GLY . 17612 1 3 . SER . 17612 1 4 . HIS . 17612 1 5 . GLN . 17612 1 6 . GLU . 17612 1 7 . TYR . 17612 1 8 . ILE . 17612 1 9 . LYS . 17612 1 10 . LYS . 17612 1 11 . VAL . 17612 1 12 . THR . 17612 1 13 . ASP . 17612 1 14 . GLU . 17612 1 15 . LEU . 17612 1 16 . LYS . 17612 1 17 . GLU . 17612 1 18 . LEU . 17612 1 19 . ILE . 17612 1 20 . GLN . 17612 1 21 . ASN . 17612 1 22 . VAL . 17612 1 23 . ASN . 17612 1 24 . ASP . 17612 1 25 . ASP . 17612 1 26 . ILE . 17612 1 27 . LYS . 17612 1 28 . GLU . 17612 1 29 . VAL . 17612 1 30 . GLU . 17612 1 31 . LYS . 17612 1 32 . ASN . 17612 1 33 . PRO . 17612 1 34 . GLU . 17612 1 35 . ASP . 17612 1 36 . MET . 17612 1 37 . GLU . 17612 1 38 . TYR . 17612 1 39 . TRP . 17612 1 40 . ASN . 17612 1 41 . LYS . 17612 1 42 . ILE . 17612 1 43 . TYR . 17612 1 44 . ARG . 17612 1 45 . LEU . 17612 1 46 . VAL . 17612 1 47 . HIS . 17612 1 48 . THR . 17612 1 49 . MET . 17612 1 50 . LYS . 17612 1 51 . GLU . 17612 1 52 . ILE . 17612 1 53 . THR . 17612 1 54 . GLU . 17612 1 55 . THR . 17612 1 56 . MET . 17612 1 57 . GLY . 17612 1 58 . PHE . 17612 1 59 . SER . 17612 1 60 . SER . 17612 1 61 . VAL . 17612 1 62 . ALA . 17612 1 63 . LYS . 17612 1 64 . VAL . 17612 1 65 . LEU . 17612 1 66 . HIS . 17612 1 67 . THR . 17612 1 68 . ILE . 17612 1 69 . MET . 17612 1 70 . ASN . 17612 1 71 . LEU . 17612 1 72 . VAL . 17612 1 73 . ASP . 17612 1 74 . LYS . 17612 1 75 . MET . 17612 1 76 . LEU . 17612 1 77 . ASN . 17612 1 78 . SER . 17612 1 79 . GLU . 17612 1 80 . ILE . 17612 1 81 . LYS . 17612 1 82 . ILE . 17612 1 83 . THR . 17612 1 84 . SER . 17612 1 85 . ASP . 17612 1 86 . LEU . 17612 1 87 . ILE . 17612 1 88 . ASP . 17612 1 89 . LYS . 17612 1 90 . VAL . 17612 1 91 . LYS . 17612 1 92 . LYS . 17612 1 93 . LYS . 17612 1 94 . LEU . 17612 1 95 . ASP . 17612 1 96 . MET . 17612 1 97 . VAL . 17612 1 98 . THR . 17612 1 99 . ARG . 17612 1 100 . GLU . 17612 1 101 . LEU . 17612 1 102 . ASP . 17612 1 103 . LYS . 17612 1 104 . LYS . 17612 1 105 . VAL . 17612 1 106 . SER . 17612 1 107 . GLY . 17612 1 108 . SER . 17612 1 109 . TYR . 17612 1 110 . LEU . 17612 1 111 . VAL . 17612 1 112 . PRO . 17612 1 113 . ARG . 17612 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 . MET 1 1 17612 1 . GLY 2 2 17612 1 . SER 3 3 17612 1 . HIS 4 4 17612 1 . GLN 5 5 17612 1 . GLU 6 6 17612 1 . TYR 7 7 17612 1 . ILE 8 8 17612 1 . LYS 9 9 17612 1 . LYS 10 10 17612 1 . VAL 11 11 17612 1 . THR 12 12 17612 1 . ASP 13 13 17612 1 . GLU 14 14 17612 1 . LEU 15 15 17612 1 . LYS 16 16 17612 1 . GLU 17 17 17612 1 . LEU 18 18 17612 1 . ILE 19 19 17612 1 . GLN 20 20 17612 1 . ASN 21 21 17612 1 . VAL 22 22 17612 1 . ASN 23 23 17612 1 . ASP 24 24 17612 1 . ASP 25 25 17612 1 . ILE 26 26 17612 1 . LYS 27 27 17612 1 . GLU 28 28 17612 1 . VAL 29 29 17612 1 . GLU 30 30 17612 1 . LYS 31 31 17612 1 . ASN 32 32 17612 1 . PRO 33 33 17612 1 . GLU 34 34 17612 1 . ASP 35 35 17612 1 . MET 36 36 17612 1 . GLU 37 37 17612 1 . TYR 38 38 17612 1 . TRP 39 39 17612 1 . ASN 40 40 17612 1 . LYS 41 41 17612 1 . ILE 42 42 17612 1 . TYR 43 43 17612 1 . ARG 44 44 17612 1 . LEU 45 45 17612 1 . VAL 46 46 17612 1 . HIS 47 47 17612 1 . THR 48 48 17612 1 . MET 49 49 17612 1 . LYS 50 50 17612 1 . GLU 51 51 17612 1 . ILE 52 52 17612 1 . THR 53 53 17612 1 . GLU 54 54 17612 1 . THR 55 55 17612 1 . MET 56 56 17612 1 . GLY 57 57 17612 1 . PHE 58 58 17612 1 . SER 59 59 17612 1 . SER 60 60 17612 1 . VAL 61 61 17612 1 . ALA 62 62 17612 1 . LYS 63 63 17612 1 . VAL 64 64 17612 1 . LEU 65 65 17612 1 . HIS 66 66 17612 1 . THR 67 67 17612 1 . ILE 68 68 17612 1 . MET 69 69 17612 1 . ASN 70 70 17612 1 . LEU 71 71 17612 1 . VAL 72 72 17612 1 . ASP 73 73 17612 1 . LYS 74 74 17612 1 . MET 75 75 17612 1 . LEU 76 76 17612 1 . ASN 77 77 17612 1 . SER 78 78 17612 1 . GLU 79 79 17612 1 . ILE 80 80 17612 1 . LYS 81 81 17612 1 . ILE 82 82 17612 1 . THR 83 83 17612 1 . SER 84 84 17612 1 . ASP 85 85 17612 1 . LEU 86 86 17612 1 . ILE 87 87 17612 1 . ASP 88 88 17612 1 . LYS 89 89 17612 1 . VAL 90 90 17612 1 . LYS 91 91 17612 1 . LYS 92 92 17612 1 . LYS 93 93 17612 1 . LEU 94 94 17612 1 . ASP 95 95 17612 1 . MET 96 96 17612 1 . VAL 97 97 17612 1 . THR 98 98 17612 1 . ARG 99 99 17612 1 . GLU 100 100 17612 1 . LEU 101 101 17612 1 . ASP 102 102 17612 1 . LYS 103 103 17612 1 . LYS 104 104 17612 1 . VAL 105 105 17612 1 . SER 106 106 17612 1 . GLY 107 107 17612 1 . SER 108 108 17612 1 . TYR 109 109 17612 1 . LEU 110 110 17612 1 . VAL 111 111 17612 1 . PRO 112 112 17612 1 . ARG 113 113 17612 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 17612 _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 $OR38 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . 'Computational redesign of Chemotaxis protein CheA from Thermotoga maritima' . . 17612 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 17612 _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 $OR38 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21b . . . . . . 17612 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 17612 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-100% 13C; U-100% 15N] OR38, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 OR38 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $OR38 . . 1.0 . . mM . . . . 17612 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17612 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17612 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17612 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17612 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 17612 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-10% 13C; U-100% 15N] OR38, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 OR38 '[U-10% 13C; U-100% 15N]' 1 $assembly 1 $OR38 . . 1.0 . . mM . . . . 17612 2 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17612 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17612 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17612 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17612 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17612 _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 pH 6.5 . pH 17612 1 pressure 1 . atm 17612 1 temperature 298 . K 17612 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17612 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller et al.' . . 17612 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17612 1 'data analysis' 17612 1 'peak picking' 17612 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17612 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17612 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 17612 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17612 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17612 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 17612 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17612 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17612 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 17612 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17612 _Software.ID 5 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17612 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17612 5 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17612 _Software.ID 6 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17612 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17612 6 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17612 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17612 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17612 7 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17612 _Software.ID 8 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17612 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17612 8 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 17612 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17612 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . 1 $citations 17612 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 17612 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 3 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 5 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17612 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17612 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 17612 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 17612 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 17612 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17612 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17612 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 2 2 GLY HA2 H 1 3.910 0.020 . 2 . . . A 2 GLY HA2 . 17612 1 2 . 1 1 2 2 GLY HA3 H 1 3.910 0.020 . 2 . . . A 2 GLY HA3 . 17612 1 3 . 1 1 2 2 GLY CA C 13 43.503 0.300 . 1 . . . A 2 GLY CA . 17612 1 4 . 1 1 4 4 HIS HA H 1 4.589 0.020 . 1 . . . A 4 HIS HA . 17612 1 5 . 1 1 4 4 HIS HB2 H 1 3.180 0.020 . 2 . . . A 4 HIS HB2 . 17612 1 6 . 1 1 4 4 HIS HB3 H 1 3.180 0.020 . 2 . . . A 4 HIS HB3 . 17612 1 7 . 1 1 4 4 HIS HD2 H 1 7.047 0.020 . 1 . . . A 4 HIS HD2 . 17612 1 8 . 1 1 4 4 HIS CA C 13 58.691 0.300 . 1 . . . A 4 HIS CA . 17612 1 9 . 1 1 4 4 HIS CB C 13 30.166 0.300 . 1 . . . A 4 HIS CB . 17612 1 10 . 1 1 4 4 HIS CD2 C 13 119.252 0.300 . 1 . . . A 4 HIS CD2 . 17612 1 11 . 1 1 5 5 GLN HA H 1 3.996 0.020 . 1 . . . A 5 GLN HA . 17612 1 12 . 1 1 5 5 GLN HB2 H 1 2.088 0.020 . 2 . . . A 5 GLN HB2 . 17612 1 13 . 1 1 5 5 GLN HB3 H 1 2.047 0.020 . 2 . . . A 5 GLN HB3 . 17612 1 14 . 1 1 5 5 GLN HG2 H 1 2.419 0.020 . 2 . . . A 5 GLN HG2 . 17612 1 15 . 1 1 5 5 GLN HG3 H 1 2.377 0.020 . 2 . . . A 5 GLN HG3 . 17612 1 16 . 1 1 5 5 GLN HE21 H 1 7.214 0.020 . 2 . . . A 5 GLN HE21 . 17612 1 17 . 1 1 5 5 GLN HE22 H 1 7.073 0.020 . 2 . . . A 5 GLN HE22 . 17612 1 18 . 1 1 5 5 GLN C C 13 178.083 0.300 . 1 . . . A 5 GLN C . 17612 1 19 . 1 1 5 5 GLN CA C 13 58.933 0.300 . 1 . . . A 5 GLN CA . 17612 1 20 . 1 1 5 5 GLN CB C 13 28.189 0.300 . 1 . . . A 5 GLN CB . 17612 1 21 . 1 1 5 5 GLN CG C 13 34.090 0.300 . 1 . . . A 5 GLN CG . 17612 1 22 . 1 1 5 5 GLN NE2 N 15 110.615 0.300 . 1 . . . A 5 GLN NE2 . 17612 1 23 . 1 1 6 6 GLU H H 1 8.144 0.020 . 1 . . . A 6 GLU H . 17612 1 24 . 1 1 6 6 GLU HA H 1 4.037 0.020 . 1 . . . A 6 GLU HA . 17612 1 25 . 1 1 6 6 GLU HB2 H 1 2.080 0.020 . 2 . . . A 6 GLU HB2 . 17612 1 26 . 1 1 6 6 GLU HB3 H 1 2.080 0.020 . 2 . . . A 6 GLU HB3 . 17612 1 27 . 1 1 6 6 GLU HG2 H 1 2.346 0.020 . 2 . . . A 6 GLU HG2 . 17612 1 28 . 1 1 6 6 GLU HG3 H 1 2.290 0.020 . 2 . . . A 6 GLU HG3 . 17612 1 29 . 1 1 6 6 GLU C C 13 178.298 0.300 . 1 . . . A 6 GLU C . 17612 1 30 . 1 1 6 6 GLU CA C 13 58.917 0.300 . 1 . . . A 6 GLU CA . 17612 1 31 . 1 1 6 6 GLU CB C 13 29.503 0.300 . 1 . . . A 6 GLU CB . 17612 1 32 . 1 1 6 6 GLU CG C 13 36.647 0.300 . 1 . . . A 6 GLU CG . 17612 1 33 . 1 1 6 6 GLU N N 15 119.732 0.300 . 1 . . . A 6 GLU N . 17612 1 34 . 1 1 7 7 TYR H H 1 7.964 0.020 . 1 . . . A 7 TYR H . 17612 1 35 . 1 1 7 7 TYR HA H 1 4.361 0.020 . 1 . . . A 7 TYR HA . 17612 1 36 . 1 1 7 7 TYR HB2 H 1 3.174 0.020 . 1 . . . A 7 TYR HB2 . 17612 1 37 . 1 1 7 7 TYR HB3 H 1 3.100 0.020 . 1 . . . A 7 TYR HB3 . 17612 1 38 . 1 1 7 7 TYR HD1 H 1 7.023 0.020 . 3 . . . A 7 TYR HD1 . 17612 1 39 . 1 1 7 7 TYR HD2 H 1 7.023 0.020 . 3 . . . A 7 TYR HD2 . 17612 1 40 . 1 1 7 7 TYR HE1 H 1 6.731 0.020 . 3 . . . A 7 TYR HE1 . 17612 1 41 . 1 1 7 7 TYR HE2 H 1 6.731 0.020 . 3 . . . A 7 TYR HE2 . 17612 1 42 . 1 1 7 7 TYR C C 13 176.609 0.300 . 1 . . . A 7 TYR C . 17612 1 43 . 1 1 7 7 TYR CA C 13 60.558 0.300 . 1 . . . A 7 TYR CA . 17612 1 44 . 1 1 7 7 TYR CB C 13 37.802 0.300 . 1 . . . A 7 TYR CB . 17612 1 45 . 1 1 7 7 TYR CD1 C 13 132.685 0.300 . 1 . . . A 7 TYR CD1 . 17612 1 46 . 1 1 7 7 TYR CE1 C 13 118.223 0.300 . 1 . . . A 7 TYR CE1 . 17612 1 47 . 1 1 7 7 TYR N N 15 121.809 0.300 . 1 . . . A 7 TYR N . 17612 1 48 . 1 1 8 8 ILE H H 1 8.076 0.020 . 1 . . . A 8 ILE H . 17612 1 49 . 1 1 8 8 ILE HA H 1 3.550 0.020 . 1 . . . A 8 ILE HA . 17612 1 50 . 1 1 8 8 ILE HB H 1 1.912 0.020 . 1 . . . A 8 ILE HB . 17612 1 51 . 1 1 8 8 ILE HG21 H 1 0.860 0.020 . 1 . . . A 8 ILE HG2 . 17612 1 52 . 1 1 8 8 ILE HG22 H 1 0.860 0.020 . 1 . . . A 8 ILE HG2 . 17612 1 53 . 1 1 8 8 ILE HG23 H 1 0.860 0.020 . 1 . . . A 8 ILE HG2 . 17612 1 54 . 1 1 8 8 ILE HG12 H 1 1.424 0.020 . 2 . . . A 8 ILE HG12 . 17612 1 55 . 1 1 8 8 ILE HG13 H 1 1.184 0.020 . 2 . . . A 8 ILE HG13 . 17612 1 56 . 1 1 8 8 ILE HD11 H 1 0.797 0.020 . 1 . . . A 8 ILE HD1 . 17612 1 57 . 1 1 8 8 ILE HD12 H 1 0.797 0.020 . 1 . . . A 8 ILE HD1 . 17612 1 58 . 1 1 8 8 ILE HD13 H 1 0.797 0.020 . 1 . . . A 8 ILE HD1 . 17612 1 59 . 1 1 8 8 ILE C C 13 178.724 0.300 . 1 . . . A 8 ILE C . 17612 1 60 . 1 1 8 8 ILE CA C 13 62.962 0.300 . 1 . . . A 8 ILE CA . 17612 1 61 . 1 1 8 8 ILE CB C 13 36.940 0.300 . 1 . . . A 8 ILE CB . 17612 1 62 . 1 1 8 8 ILE CG1 C 13 27.992 0.300 . 1 . . . A 8 ILE CG1 . 17612 1 63 . 1 1 8 8 ILE CG2 C 13 17.296 0.300 . 1 . . . A 8 ILE CG2 . 17612 1 64 . 1 1 8 8 ILE CD1 C 13 11.623 0.300 . 1 . . . A 8 ILE CD1 . 17612 1 65 . 1 1 8 8 ILE N N 15 118.625 0.300 . 1 . . . A 8 ILE N . 17612 1 66 . 1 1 9 9 LYS H H 1 7.998 0.020 . 1 . . . A 9 LYS H . 17612 1 67 . 1 1 9 9 LYS HA H 1 3.938 0.020 . 1 . . . A 9 LYS HA . 17612 1 68 . 1 1 9 9 LYS HB2 H 1 1.897 0.020 . 2 . . . A 9 LYS HB2 . 17612 1 69 . 1 1 9 9 LYS HB3 H 1 1.856 0.020 . 2 . . . A 9 LYS HB3 . 17612 1 70 . 1 1 9 9 LYS HG2 H 1 1.441 0.020 . 2 . . . A 9 LYS HG2 . 17612 1 71 . 1 1 9 9 LYS HG3 H 1 1.398 0.020 . 2 . . . A 9 LYS HG3 . 17612 1 72 . 1 1 9 9 LYS HD2 H 1 1.681 0.020 . 2 . . . A 9 LYS HD2 . 17612 1 73 . 1 1 9 9 LYS HD3 H 1 1.681 0.020 . 2 . . . A 9 LYS HD3 . 17612 1 74 . 1 1 9 9 LYS HE2 H 1 2.967 0.020 . 2 . . . A 9 LYS HE2 . 17612 1 75 . 1 1 9 9 LYS HE3 H 1 2.967 0.020 . 2 . . . A 9 LYS HE3 . 17612 1 76 . 1 1 9 9 LYS C C 13 177.204 0.300 . 1 . . . A 9 LYS C . 17612 1 77 . 1 1 9 9 LYS CA C 13 59.430 0.300 . 1 . . . A 9 LYS CA . 17612 1 78 . 1 1 9 9 LYS CB C 13 32.170 0.300 . 1 . . . A 9 LYS CB . 17612 1 79 . 1 1 9 9 LYS CG C 13 25.021 0.300 . 1 . . . A 9 LYS CG . 17612 1 80 . 1 1 9 9 LYS CD C 13 29.003 0.300 . 1 . . . A 9 LYS CD . 17612 1 81 . 1 1 9 9 LYS CE C 13 42.054 0.300 . 1 . . . A 9 LYS CE . 17612 1 82 . 1 1 9 9 LYS N N 15 122.943 0.300 . 1 . . . A 9 LYS N . 17612 1 83 . 1 1 10 10 LYS H H 1 7.793 0.020 . 1 . . . A 10 LYS H . 17612 1 84 . 1 1 10 10 LYS HA H 1 3.979 0.020 . 1 . . . A 10 LYS HA . 17612 1 85 . 1 1 10 10 LYS HB2 H 1 1.931 0.020 . 2 . . . A 10 LYS HB2 . 17612 1 86 . 1 1 10 10 LYS HB3 H 1 1.931 0.020 . 2 . . . A 10 LYS HB3 . 17612 1 87 . 1 1 10 10 LYS HG2 H 1 1.384 0.020 . 2 . . . A 10 LYS HG2 . 17612 1 88 . 1 1 10 10 LYS HG3 H 1 1.384 0.020 . 2 . . . A 10 LYS HG3 . 17612 1 89 . 1 1 10 10 LYS HD2 H 1 1.691 0.020 . 2 . . . A 10 LYS HD2 . 17612 1 90 . 1 1 10 10 LYS HD3 H 1 1.633 0.020 . 2 . . . A 10 LYS HD3 . 17612 1 91 . 1 1 10 10 LYS HE2 H 1 2.901 0.020 . 2 . . . A 10 LYS HE2 . 17612 1 92 . 1 1 10 10 LYS HE3 H 1 2.856 0.020 . 2 . . . A 10 LYS HE3 . 17612 1 93 . 1 1 10 10 LYS C C 13 179.665 0.300 . 1 . . . A 10 LYS C . 17612 1 94 . 1 1 10 10 LYS CA C 13 59.386 0.300 . 1 . . . A 10 LYS CA . 17612 1 95 . 1 1 10 10 LYS CB C 13 32.432 0.300 . 1 . . . A 10 LYS CB . 17612 1 96 . 1 1 10 10 LYS CG C 13 25.021 0.300 . 1 . . . A 10 LYS CG . 17612 1 97 . 1 1 10 10 LYS CD C 13 29.461 0.300 . 1 . . . A 10 LYS CD . 17612 1 98 . 1 1 10 10 LYS CE C 13 42.054 0.300 . 1 . . . A 10 LYS CE . 17612 1 99 . 1 1 10 10 LYS N N 15 119.595 0.300 . 1 . . . A 10 LYS N . 17612 1 100 . 1 1 11 11 VAL H H 1 8.166 0.020 . 1 . . . A 11 VAL H . 17612 1 101 . 1 1 11 11 VAL HA H 1 3.880 0.020 . 1 . . . A 11 VAL HA . 17612 1 102 . 1 1 11 11 VAL HB H 1 1.906 0.020 . 1 . . . A 11 VAL HB . 17612 1 103 . 1 1 11 11 VAL HG11 H 1 0.734 0.020 . 2 . . . A 11 VAL HG1 . 17612 1 104 . 1 1 11 11 VAL HG12 H 1 0.734 0.020 . 2 . . . A 11 VAL HG1 . 17612 1 105 . 1 1 11 11 VAL HG13 H 1 0.734 0.020 . 2 . . . A 11 VAL HG1 . 17612 1 106 . 1 1 11 11 VAL HG21 H 1 0.734 0.020 . 2 . . . A 11 VAL HG2 . 17612 1 107 . 1 1 11 11 VAL HG22 H 1 0.734 0.020 . 2 . . . A 11 VAL HG2 . 17612 1 108 . 1 1 11 11 VAL HG23 H 1 0.734 0.020 . 2 . . . A 11 VAL HG2 . 17612 1 109 . 1 1 11 11 VAL C C 13 178.259 0.300 . 1 . . . A 11 VAL C . 17612 1 110 . 1 1 11 11 VAL CA C 13 65.597 0.300 . 1 . . . A 11 VAL CA . 17612 1 111 . 1 1 11 11 VAL CB C 13 31.964 0.300 . 1 . . . A 11 VAL CB . 17612 1 112 . 1 1 11 11 VAL N N 15 118.041 0.300 . 1 . . . A 11 VAL N . 17612 1 113 . 1 1 12 12 THR H H 1 8.293 0.020 . 1 . . . A 12 THR H . 17612 1 114 . 1 1 12 12 THR HA H 1 3.902 0.020 . 1 . . . A 12 THR HA . 17612 1 115 . 1 1 12 12 THR HB H 1 4.267 0.020 . 1 . . . A 12 THR HB . 17612 1 116 . 1 1 12 12 THR HG21 H 1 1.252 0.020 . 1 . . . A 12 THR HG2 . 17612 1 117 . 1 1 12 12 THR HG22 H 1 1.252 0.020 . 1 . . . A 12 THR HG2 . 17612 1 118 . 1 1 12 12 THR HG23 H 1 1.252 0.020 . 1 . . . A 12 THR HG2 . 17612 1 119 . 1 1 12 12 THR C C 13 176.677 0.300 . 1 . . . A 12 THR C . 17612 1 120 . 1 1 12 12 THR CA C 13 67.123 0.300 . 1 . . . A 12 THR CA . 17612 1 121 . 1 1 12 12 THR CB C 13 68.112 0.300 . 1 . . . A 12 THR CB . 17612 1 122 . 1 1 12 12 THR CG2 C 13 22.062 0.300 . 1 . . . A 12 THR CG2 . 17612 1 123 . 1 1 12 12 THR N N 15 114.990 0.300 . 1 . . . A 12 THR N . 17612 1 124 . 1 1 13 13 ASP H H 1 8.351 0.020 . 1 . . . A 13 ASP H . 17612 1 125 . 1 1 13 13 ASP HA H 1 4.435 0.020 . 1 . . . A 13 ASP HA . 17612 1 126 . 1 1 13 13 ASP HB2 H 1 2.918 0.020 . 2 . . . A 13 ASP HB2 . 17612 1 127 . 1 1 13 13 ASP HB3 H 1 2.633 0.020 . 2 . . . A 13 ASP HB3 . 17612 1 128 . 1 1 13 13 ASP C C 13 179.337 0.300 . 1 . . . A 13 ASP C . 17612 1 129 . 1 1 13 13 ASP CA C 13 57.745 0.300 . 1 . . . A 13 ASP CA . 17612 1 130 . 1 1 13 13 ASP CB C 13 39.572 0.300 . 1 . . . A 13 ASP CB . 17612 1 131 . 1 1 13 13 ASP N N 15 122.990 0.300 . 1 . . . A 13 ASP N . 17612 1 132 . 1 1 14 14 GLU H H 1 7.872 0.020 . 1 . . . A 14 GLU H . 17612 1 133 . 1 1 14 14 GLU HA H 1 4.058 0.020 . 1 . . . A 14 GLU HA . 17612 1 134 . 1 1 14 14 GLU HB2 H 1 2.206 0.020 . 2 . . . A 14 GLU HB2 . 17612 1 135 . 1 1 14 14 GLU HB3 H 1 2.107 0.020 . 2 . . . A 14 GLU HB3 . 17612 1 136 . 1 1 14 14 GLU HG2 H 1 2.404 0.020 . 2 . . . A 14 GLU HG2 . 17612 1 137 . 1 1 14 14 GLU HG3 H 1 2.144 0.020 . 2 . . . A 14 GLU HG3 . 17612 1 138 . 1 1 14 14 GLU C C 13 179.559 0.300 . 1 . . . A 14 GLU C . 17612 1 139 . 1 1 14 14 GLU CA C 13 59.738 0.300 . 1 . . . A 14 GLU CA . 17612 1 140 . 1 1 14 14 GLU CB C 13 29.083 0.300 . 1 . . . A 14 GLU CB . 17612 1 141 . 1 1 14 14 GLU CG C 13 36.062 0.300 . 1 . . . A 14 GLU CG . 17612 1 142 . 1 1 14 14 GLU N N 15 121.856 0.300 . 1 . . . A 14 GLU N . 17612 1 143 . 1 1 15 15 LEU H H 1 8.483 0.020 . 1 . . . A 15 LEU H . 17612 1 144 . 1 1 15 15 LEU HA H 1 4.021 0.020 . 1 . . . A 15 LEU HA . 17612 1 145 . 1 1 15 15 LEU HB2 H 1 1.391 0.020 . 1 . . . A 15 LEU HB2 . 17612 1 146 . 1 1 15 15 LEU HB3 H 1 2.088 0.020 . 1 . . . A 15 LEU HB3 . 17612 1 147 . 1 1 15 15 LEU HG H 1 1.466 0.020 . 1 . . . A 15 LEU HG . 17612 1 148 . 1 1 15 15 LEU HD11 H 1 0.869 0.020 . 2 . . . A 15 LEU HD1 . 17612 1 149 . 1 1 15 15 LEU HD12 H 1 0.869 0.020 . 2 . . . A 15 LEU HD1 . 17612 1 150 . 1 1 15 15 LEU HD13 H 1 0.869 0.020 . 2 . . . A 15 LEU HD1 . 17612 1 151 . 1 1 15 15 LEU HD21 H 1 0.964 0.020 . 2 . . . A 15 LEU HD2 . 17612 1 152 . 1 1 15 15 LEU HD22 H 1 0.964 0.020 . 2 . . . A 15 LEU HD2 . 17612 1 153 . 1 1 15 15 LEU HD23 H 1 0.964 0.020 . 2 . . . A 15 LEU HD2 . 17612 1 154 . 1 1 15 15 LEU C C 13 178.317 0.300 . 1 . . . A 15 LEU C . 17612 1 155 . 1 1 15 15 LEU CA C 13 58.159 0.300 . 1 . . . A 15 LEU CA . 17612 1 156 . 1 1 15 15 LEU CB C 13 42.217 0.300 . 1 . . . A 15 LEU CB . 17612 1 157 . 1 1 15 15 LEU CG C 13 27.012 0.300 . 1 . . . A 15 LEU CG . 17612 1 158 . 1 1 15 15 LEU CD1 C 13 24.942 0.300 . 1 . . . A 15 LEU CD1 . 17612 1 159 . 1 1 15 15 LEU CD2 C 13 23.562 0.300 . 1 . . . A 15 LEU CD2 . 17612 1 160 . 1 1 15 15 LEU N N 15 119.623 0.300 . 1 . . . A 15 LEU N . 17612 1 161 . 1 1 16 16 LYS H H 1 8.379 0.020 . 1 . . . A 16 LYS H . 17612 1 162 . 1 1 16 16 LYS HA H 1 3.886 0.020 . 1 . . . A 16 LYS HA . 17612 1 163 . 1 1 16 16 LYS HB2 H 1 1.997 0.020 . 2 . . . A 16 LYS HB2 . 17612 1 164 . 1 1 16 16 LYS HB3 H 1 1.897 0.020 . 2 . . . A 16 LYS HB3 . 17612 1 165 . 1 1 16 16 LYS HG2 H 1 1.707 0.020 . 2 . . . A 16 LYS HG2 . 17612 1 166 . 1 1 16 16 LYS HG3 H 1 1.405 0.020 . 2 . . . A 16 LYS HG3 . 17612 1 167 . 1 1 16 16 LYS HD2 H 1 1.688 0.020 . 2 . . . A 16 LYS HD2 . 17612 1 168 . 1 1 16 16 LYS HD3 H 1 1.688 0.020 . 2 . . . A 16 LYS HD3 . 17612 1 169 . 1 1 16 16 LYS HE2 H 1 2.941 0.020 . 2 . . . A 16 LYS HE2 . 17612 1 170 . 1 1 16 16 LYS HE3 H 1 2.941 0.020 . 2 . . . A 16 LYS HE3 . 17612 1 171 . 1 1 16 16 LYS C C 13 179.489 0.300 . 1 . . . A 16 LYS C . 17612 1 172 . 1 1 16 16 LYS CA C 13 60.105 0.300 . 1 . . . A 16 LYS CA . 17612 1 173 . 1 1 16 16 LYS CB C 13 32.081 0.300 . 1 . . . A 16 LYS CB . 17612 1 174 . 1 1 16 16 LYS CG C 13 26.026 0.300 . 1 . . . A 16 LYS CG . 17612 1 175 . 1 1 16 16 LYS CD C 13 29.193 0.300 . 1 . . . A 16 LYS CD . 17612 1 176 . 1 1 16 16 LYS CE C 13 41.980 0.300 . 1 . . . A 16 LYS CE . 17612 1 177 . 1 1 16 16 LYS N N 15 117.822 0.300 . 1 . . . A 16 LYS N . 17612 1 178 . 1 1 17 17 GLU H H 1 7.710 0.020 . 1 . . . A 17 GLU H . 17612 1 179 . 1 1 17 17 GLU HA H 1 4.095 0.020 . 1 . . . A 17 GLU HA . 17612 1 180 . 1 1 17 17 GLU HB2 H 1 2.148 0.020 . 2 . . . A 17 GLU HB2 . 17612 1 181 . 1 1 17 17 GLU HB3 H 1 2.148 0.020 . 2 . . . A 17 GLU HB3 . 17612 1 182 . 1 1 17 17 GLU HG2 H 1 2.377 0.020 . 2 . . . A 17 GLU HG2 . 17612 1 183 . 1 1 17 17 GLU HG3 H 1 2.253 0.020 . 2 . . . A 17 GLU HG3 . 17612 1 184 . 1 1 17 17 GLU C C 13 178.632 0.300 . 1 . . . A 17 GLU C . 17612 1 185 . 1 1 17 17 GLU CA C 13 59.386 0.300 . 1 . . . A 17 GLU CA . 17612 1 186 . 1 1 17 17 GLU CB C 13 29.249 0.300 . 1 . . . A 17 GLU CB . 17612 1 187 . 1 1 17 17 GLU CG C 13 36.041 0.300 . 1 . . . A 17 GLU CG . 17612 1 188 . 1 1 17 17 GLU N N 15 120.797 0.300 . 1 . . . A 17 GLU N . 17612 1 189 . 1 1 18 18 LEU H H 1 7.957 0.020 . 1 . . . A 18 LEU H . 17612 1 190 . 1 1 18 18 LEU HA H 1 4.046 0.020 . 1 . . . A 18 LEU HA . 17612 1 191 . 1 1 18 18 LEU HB2 H 1 2.213 0.020 . 1 . . . A 18 LEU HB2 . 17612 1 192 . 1 1 18 18 LEU HB3 H 1 2.088 0.020 . 1 . . . A 18 LEU HB3 . 17612 1 193 . 1 1 18 18 LEU HG H 1 1.410 0.020 . 1 . . . A 18 LEU HG . 17612 1 194 . 1 1 18 18 LEU HD11 H 1 0.944 0.020 . 2 . . . A 18 LEU HD1 . 17612 1 195 . 1 1 18 18 LEU HD12 H 1 0.944 0.020 . 2 . . . A 18 LEU HD1 . 17612 1 196 . 1 1 18 18 LEU HD13 H 1 0.944 0.020 . 2 . . . A 18 LEU HD1 . 17612 1 197 . 1 1 18 18 LEU HD21 H 1 0.840 0.020 . 2 . . . A 18 LEU HD2 . 17612 1 198 . 1 1 18 18 LEU HD22 H 1 0.840 0.020 . 2 . . . A 18 LEU HD2 . 17612 1 199 . 1 1 18 18 LEU HD23 H 1 0.840 0.020 . 2 . . . A 18 LEU HD2 . 17612 1 200 . 1 1 18 18 LEU C C 13 179.430 0.300 . 1 . . . A 18 LEU C . 17612 1 201 . 1 1 18 18 LEU CA C 13 58.566 0.300 . 1 . . . A 18 LEU CA . 17612 1 202 . 1 1 18 18 LEU CB C 13 42.042 0.300 . 1 . . . A 18 LEU CB . 17612 1 203 . 1 1 18 18 LEU CG C 13 29.371 0.300 . 1 . . . A 18 LEU CG . 17612 1 204 . 1 1 18 18 LEU CD1 C 13 25.980 0.300 . 2 . . . A 18 LEU CD1 . 17612 1 205 . 1 1 18 18 LEU CD2 C 13 25.980 0.300 . 2 . . . A 18 LEU CD2 . 17612 1 206 . 1 1 18 18 LEU N N 15 120.815 0.300 . 1 . . . A 18 LEU N . 17612 1 207 . 1 1 19 19 ILE H H 1 8.467 0.020 . 1 . . . A 19 ILE H . 17612 1 208 . 1 1 19 19 ILE HA H 1 3.490 0.020 . 1 . . . A 19 ILE HA . 17612 1 209 . 1 1 19 19 ILE HB H 1 1.854 0.020 . 1 . . . A 19 ILE HB . 17612 1 210 . 1 1 19 19 ILE HG21 H 1 0.858 0.020 . 1 . . . A 19 ILE HG2 . 17612 1 211 . 1 1 19 19 ILE HG22 H 1 0.858 0.020 . 1 . . . A 19 ILE HG2 . 17612 1 212 . 1 1 19 19 ILE HG23 H 1 0.858 0.020 . 1 . . . A 19 ILE HG2 . 17612 1 213 . 1 1 19 19 ILE HG12 H 1 0.801 0.020 . 1 . . . A 19 ILE HG12 . 17612 1 214 . 1 1 19 19 ILE HG13 H 1 1.860 0.020 . 1 . . . A 19 ILE HG13 . 17612 1 215 . 1 1 19 19 ILE HD11 H 1 0.776 0.020 . 1 . . . A 19 ILE HD1 . 17612 1 216 . 1 1 19 19 ILE HD12 H 1 0.776 0.020 . 1 . . . A 19 ILE HD1 . 17612 1 217 . 1 1 19 19 ILE HD13 H 1 0.776 0.020 . 1 . . . A 19 ILE HD1 . 17612 1 218 . 1 1 19 19 ILE C C 13 177.673 0.300 . 1 . . . A 19 ILE C . 17612 1 219 . 1 1 19 19 ILE CA C 13 65.245 0.300 . 1 . . . A 19 ILE CA . 17612 1 220 . 1 1 19 19 ILE CB C 13 37.842 0.300 . 1 . . . A 19 ILE CB . 17612 1 221 . 1 1 19 19 ILE CG1 C 13 30.572 0.300 . 1 . . . A 19 ILE CG1 . 17612 1 222 . 1 1 19 19 ILE CG2 C 13 17.374 0.300 . 1 . . . A 19 ILE CG2 . 17612 1 223 . 1 1 19 19 ILE CD1 C 13 13.767 0.300 . 1 . . . A 19 ILE CD1 . 17612 1 224 . 1 1 19 19 ILE N N 15 119.518 0.300 . 1 . . . A 19 ILE N . 17612 1 225 . 1 1 20 20 GLN H H 1 7.773 0.020 . 1 . . . A 20 GLN H . 17612 1 226 . 1 1 20 20 GLN HA H 1 3.988 0.020 . 1 . . . A 20 GLN HA . 17612 1 227 . 1 1 20 20 GLN HB2 H 1 2.221 0.020 . 2 . . . A 20 GLN HB2 . 17612 1 228 . 1 1 20 20 GLN HB3 H 1 2.221 0.020 . 2 . . . A 20 GLN HB3 . 17612 1 229 . 1 1 20 20 GLN HG2 H 1 2.403 0.020 . 2 . . . A 20 GLN HG2 . 17612 1 230 . 1 1 20 20 GLN HG3 H 1 2.403 0.020 . 2 . . . A 20 GLN HG3 . 17612 1 231 . 1 1 20 20 GLN HE21 H 1 7.684 0.020 . 2 . . . A 20 GLN HE21 . 17612 1 232 . 1 1 20 20 GLN HE22 H 1 6.882 0.020 . 2 . . . A 20 GLN HE22 . 17612 1 233 . 1 1 20 20 GLN C C 13 177.990 0.300 . 1 . . . A 20 GLN C . 17612 1 234 . 1 1 20 20 GLN CA C 13 58.800 0.300 . 1 . . . A 20 GLN CA . 17612 1 235 . 1 1 20 20 GLN CB C 13 27.809 0.300 . 1 . . . A 20 GLN CB . 17612 1 236 . 1 1 20 20 GLN CG C 13 33.469 0.300 . 1 . . . A 20 GLN CG . 17612 1 237 . 1 1 20 20 GLN N N 15 119.992 0.300 . 1 . . . A 20 GLN N . 17612 1 238 . 1 1 20 20 GLN NE2 N 15 114.937 0.300 . 1 . . . A 20 GLN NE2 . 17612 1 239 . 1 1 21 21 ASN H H 1 8.172 0.020 . 1 . . . A 21 ASN H . 17612 1 240 . 1 1 21 21 ASN HA H 1 4.485 0.020 . 1 . . . A 21 ASN HA . 17612 1 241 . 1 1 21 21 ASN HB2 H 1 3.080 0.020 . 2 . . . A 21 ASN HB2 . 17612 1 242 . 1 1 21 21 ASN HB3 H 1 2.909 0.020 . 2 . . . A 21 ASN HB3 . 17612 1 243 . 1 1 21 21 ASN HD21 H 1 7.577 0.020 . 2 . . . A 21 ASN HD21 . 17612 1 244 . 1 1 21 21 ASN HD22 H 1 6.949 0.020 . 2 . . . A 21 ASN HD22 . 17612 1 245 . 1 1 21 21 ASN C C 13 177.723 0.300 . 1 . . . A 21 ASN C . 17612 1 246 . 1 1 21 21 ASN CA C 13 56.222 0.300 . 1 . . . A 21 ASN CA . 17612 1 247 . 1 1 21 21 ASN CB C 13 38.571 0.300 . 1 . . . A 21 ASN CB . 17612 1 248 . 1 1 21 21 ASN N N 15 117.797 0.300 . 1 . . . A 21 ASN N . 17612 1 249 . 1 1 21 21 ASN ND2 N 15 112.185 0.300 . 1 . . . A 21 ASN ND2 . 17612 1 250 . 1 1 22 22 VAL H H 1 8.574 0.020 . 1 . . . A 22 VAL H . 17612 1 251 . 1 1 22 22 VAL HA H 1 3.673 0.020 . 1 . . . A 22 VAL HA . 17612 1 252 . 1 1 22 22 VAL HB H 1 2.188 0.020 . 1 . . . A 22 VAL HB . 17612 1 253 . 1 1 22 22 VAL HG11 H 1 0.943 0.020 . 2 . . . A 22 VAL HG1 . 17612 1 254 . 1 1 22 22 VAL HG12 H 1 0.943 0.020 . 2 . . . A 22 VAL HG1 . 17612 1 255 . 1 1 22 22 VAL HG13 H 1 0.943 0.020 . 2 . . . A 22 VAL HG1 . 17612 1 256 . 1 1 22 22 VAL HG21 H 1 1.095 0.020 . 2 . . . A 22 VAL HG2 . 17612 1 257 . 1 1 22 22 VAL HG22 H 1 1.095 0.020 . 2 . . . A 22 VAL HG2 . 17612 1 258 . 1 1 22 22 VAL HG23 H 1 1.095 0.020 . 2 . . . A 22 VAL HG2 . 17612 1 259 . 1 1 22 22 VAL C C 13 177.296 0.300 . 1 . . . A 22 VAL C . 17612 1 260 . 1 1 22 22 VAL CA C 13 66.643 0.300 . 1 . . . A 22 VAL CA . 17612 1 261 . 1 1 22 22 VAL CB C 13 30.931 0.300 . 1 . . . A 22 VAL CB . 17612 1 262 . 1 1 22 22 VAL CG1 C 13 23.104 0.300 . 1 . . . A 22 VAL CG1 . 17612 1 263 . 1 1 22 22 VAL CG2 C 13 25.390 0.300 . 1 . . . A 22 VAL CG2 . 17612 1 264 . 1 1 22 22 VAL N N 15 120.531 0.300 . 1 . . . A 22 VAL N . 17612 1 265 . 1 1 23 23 ASN H H 1 8.484 0.020 . 1 . . . A 23 ASN H . 17612 1 266 . 1 1 23 23 ASN HA H 1 4.295 0.020 . 1 . . . A 23 ASN HA . 17612 1 267 . 1 1 23 23 ASN HB2 H 1 2.896 0.020 . 1 . . . A 23 ASN HB2 . 17612 1 268 . 1 1 23 23 ASN HB3 H 1 2.665 0.020 . 1 . . . A 23 ASN HB3 . 17612 1 269 . 1 1 23 23 ASN HD21 H 1 7.129 0.020 . 2 . . . A 23 ASN HD21 . 17612 1 270 . 1 1 23 23 ASN HD22 H 1 6.757 0.020 . 2 . . . A 23 ASN HD22 . 17612 1 271 . 1 1 23 23 ASN C C 13 178.669 0.300 . 1 . . . A 23 ASN C . 17612 1 272 . 1 1 23 23 ASN CA C 13 56.412 0.300 . 1 . . . A 23 ASN CA . 17612 1 273 . 1 1 23 23 ASN CB C 13 37.916 0.300 . 1 . . . A 23 ASN CB . 17612 1 274 . 1 1 23 23 ASN N N 15 119.585 0.300 . 1 . . . A 23 ASN N . 17612 1 275 . 1 1 23 23 ASN ND2 N 15 110.667 0.300 . 1 . . . A 23 ASN ND2 . 17612 1 276 . 1 1 24 24 ASP H H 1 8.341 0.020 . 1 . . . A 24 ASP H . 17612 1 277 . 1 1 24 24 ASP HA H 1 4.436 0.020 . 1 . . . A 24 ASP HA . 17612 1 278 . 1 1 24 24 ASP HB2 H 1 2.893 0.020 . 2 . . . A 24 ASP HB2 . 17612 1 279 . 1 1 24 24 ASP HB3 H 1 2.676 0.020 . 2 . . . A 24 ASP HB3 . 17612 1 280 . 1 1 24 24 ASP C C 13 178.854 0.300 . 1 . . . A 24 ASP C . 17612 1 281 . 1 1 24 24 ASP CA C 13 57.527 0.300 . 1 . . . A 24 ASP CA . 17612 1 282 . 1 1 24 24 ASP CB C 13 39.815 0.300 . 1 . . . A 24 ASP CB . 17612 1 283 . 1 1 24 24 ASP N N 15 121.739 0.300 . 1 . . . A 24 ASP N . 17612 1 284 . 1 1 25 25 ASP H H 1 8.087 0.020 . 1 . . . A 25 ASP H . 17612 1 285 . 1 1 25 25 ASP HA H 1 4.392 0.020 . 1 . . . A 25 ASP HA . 17612 1 286 . 1 1 25 25 ASP HB2 H 1 2.414 0.020 . 1 . . . A 25 ASP HB2 . 17612 1 287 . 1 1 25 25 ASP HB3 H 1 2.802 0.020 . 1 . . . A 25 ASP HB3 . 17612 1 288 . 1 1 25 25 ASP C C 13 178.780 0.300 . 1 . . . A 25 ASP C . 17612 1 289 . 1 1 25 25 ASP CA C 13 57.511 0.300 . 1 . . . A 25 ASP CA . 17612 1 290 . 1 1 25 25 ASP CB C 13 39.479 0.300 . 1 . . . A 25 ASP CB . 17612 1 291 . 1 1 25 25 ASP N N 15 122.666 0.300 . 1 . . . A 25 ASP N . 17612 1 292 . 1 1 26 26 ILE H H 1 8.709 0.020 . 1 . . . A 26 ILE H . 17612 1 293 . 1 1 26 26 ILE HA H 1 3.546 0.020 . 1 . . . A 26 ILE HA . 17612 1 294 . 1 1 26 26 ILE HB H 1 2.023 0.020 . 1 . . . A 26 ILE HB . 17612 1 295 . 1 1 26 26 ILE HG21 H 1 0.750 0.020 . 1 . . . A 26 ILE HG2 . 17612 1 296 . 1 1 26 26 ILE HG22 H 1 0.750 0.020 . 1 . . . A 26 ILE HG2 . 17612 1 297 . 1 1 26 26 ILE HG23 H 1 0.750 0.020 . 1 . . . A 26 ILE HG2 . 17612 1 298 . 1 1 26 26 ILE HG12 H 1 1.579 0.020 . 2 . . . A 26 ILE HG12 . 17612 1 299 . 1 1 26 26 ILE HG13 H 1 1.024 0.020 . 2 . . . A 26 ILE HG13 . 17612 1 300 . 1 1 26 26 ILE HD11 H 1 0.672 0.020 . 1 . . . A 26 ILE HD1 . 17612 1 301 . 1 1 26 26 ILE HD12 H 1 0.672 0.020 . 1 . . . A 26 ILE HD1 . 17612 1 302 . 1 1 26 26 ILE HD13 H 1 0.672 0.020 . 1 . . . A 26 ILE HD1 . 17612 1 303 . 1 1 26 26 ILE C C 13 177.047 0.300 . 1 . . . A 26 ILE C . 17612 1 304 . 1 1 26 26 ILE CA C 13 62.784 0.300 . 1 . . . A 26 ILE CA . 17612 1 305 . 1 1 26 26 ILE CB C 13 36.110 0.300 . 1 . . . A 26 ILE CB . 17612 1 306 . 1 1 26 26 ILE CG1 C 13 29.074 0.300 . 1 . . . A 26 ILE CG1 . 17612 1 307 . 1 1 26 26 ILE CG2 C 13 17.300 0.300 . 1 . . . A 26 ILE CG2 . 17612 1 308 . 1 1 26 26 ILE CD1 C 13 12.377 0.300 . 1 . . . A 26 ILE CD1 . 17612 1 309 . 1 1 26 26 ILE N N 15 122.326 0.300 . 1 . . . A 26 ILE N . 17612 1 310 . 1 1 27 27 LYS H H 1 7.315 0.020 . 1 . . . A 27 LYS H . 17612 1 311 . 1 1 27 27 LYS HA H 1 4.066 0.020 . 1 . . . A 27 LYS HA . 17612 1 312 . 1 1 27 27 LYS HB2 H 1 1.941 0.020 . 1 . . . A 27 LYS HB2 . 17612 1 313 . 1 1 27 27 LYS HB3 H 1 1.812 0.020 . 1 . . . A 27 LYS HB3 . 17612 1 314 . 1 1 27 27 LYS HG2 H 1 1.627 0.020 . 2 . . . A 27 LYS HG2 . 17612 1 315 . 1 1 27 27 LYS HG3 H 1 1.433 0.020 . 2 . . . A 27 LYS HG3 . 17612 1 316 . 1 1 27 27 LYS HD2 H 1 1.573 0.020 . 2 . . . A 27 LYS HD2 . 17612 1 317 . 1 1 27 27 LYS HD3 H 1 1.573 0.020 . 2 . . . A 27 LYS HD3 . 17612 1 318 . 1 1 27 27 LYS HE2 H 1 2.972 0.020 . 2 . . . A 27 LYS HE2 . 17612 1 319 . 1 1 27 27 LYS HE3 H 1 2.972 0.020 . 2 . . . A 27 LYS HE3 . 17612 1 320 . 1 1 27 27 LYS C C 13 179.572 0.300 . 1 . . . A 27 LYS C . 17612 1 321 . 1 1 27 27 LYS CA C 13 59.152 0.300 . 1 . . . A 27 LYS CA . 17612 1 322 . 1 1 27 27 LYS CB C 13 31.901 0.300 . 1 . . . A 27 LYS CB . 17612 1 323 . 1 1 27 27 LYS CG C 13 25.105 0.300 . 1 . . . A 27 LYS CG . 17612 1 324 . 1 1 27 27 LYS CD C 13 29.224 0.300 . 1 . . . A 27 LYS CD . 17612 1 325 . 1 1 27 27 LYS CE C 13 42.162 0.300 . 1 . . . A 27 LYS CE . 17612 1 326 . 1 1 27 27 LYS N N 15 118.066 0.300 . 1 . . . A 27 LYS N . 17612 1 327 . 1 1 28 28 GLU H H 1 7.028 0.020 . 1 . . . A 28 GLU H . 17612 1 328 . 1 1 28 28 GLU HA H 1 3.996 0.020 . 1 . . . A 28 GLU HA . 17612 1 329 . 1 1 28 28 GLU HB2 H 1 1.295 0.020 . 2 . . . A 28 GLU HB2 . 17612 1 330 . 1 1 28 28 GLU HB3 H 1 1.295 0.020 . 2 . . . A 28 GLU HB3 . 17612 1 331 . 1 1 28 28 GLU HG2 H 1 2.090 0.020 . 2 . . . A 28 GLU HG2 . 17612 1 332 . 1 1 28 28 GLU HG3 H 1 1.977 0.020 . 2 . . . A 28 GLU HG3 . 17612 1 333 . 1 1 28 28 GLU C C 13 180.075 0.300 . 1 . . . A 28 GLU C . 17612 1 334 . 1 1 28 28 GLU CA C 13 57.679 0.300 . 1 . . . A 28 GLU CA . 17612 1 335 . 1 1 28 28 GLU CB C 13 27.850 0.300 . 1 . . . A 28 GLU CB . 17612 1 336 . 1 1 28 28 GLU CG C 13 34.691 0.300 . 1 . . . A 28 GLU CG . 17612 1 337 . 1 1 28 28 GLU N N 15 115.851 0.300 . 1 . . . A 28 GLU N . 17612 1 338 . 1 1 29 29 VAL H H 1 7.606 0.020 . 1 . . . A 29 VAL H . 17612 1 339 . 1 1 29 29 VAL HA H 1 3.796 0.020 . 1 . . . A 29 VAL HA . 17612 1 340 . 1 1 29 29 VAL HB H 1 1.608 0.020 . 1 . . . A 29 VAL HB . 17612 1 341 . 1 1 29 29 VAL HG11 H 1 0.211 0.020 . 2 . . . A 29 VAL HG1 . 17612 1 342 . 1 1 29 29 VAL HG12 H 1 0.211 0.020 . 2 . . . A 29 VAL HG1 . 17612 1 343 . 1 1 29 29 VAL HG13 H 1 0.211 0.020 . 2 . . . A 29 VAL HG1 . 17612 1 344 . 1 1 29 29 VAL HG21 H 1 0.266 0.020 . 2 . . . A 29 VAL HG2 . 17612 1 345 . 1 1 29 29 VAL HG22 H 1 0.266 0.020 . 2 . . . A 29 VAL HG2 . 17612 1 346 . 1 1 29 29 VAL HG23 H 1 0.266 0.020 . 2 . . . A 29 VAL HG2 . 17612 1 347 . 1 1 29 29 VAL C C 13 177.262 0.300 . 1 . . . A 29 VAL C . 17612 1 348 . 1 1 29 29 VAL CA C 13 63.754 0.300 . 1 . . . A 29 VAL CA . 17612 1 349 . 1 1 29 29 VAL CB C 13 30.891 0.300 . 1 . . . A 29 VAL CB . 17612 1 350 . 1 1 29 29 VAL CG1 C 13 21.208 0.300 . 1 . . . A 29 VAL CG1 . 17612 1 351 . 1 1 29 29 VAL CG2 C 13 22.325 0.300 . 1 . . . A 29 VAL CG2 . 17612 1 352 . 1 1 29 29 VAL N N 15 119.685 0.300 . 1 . . . A 29 VAL N . 17612 1 353 . 1 1 30 30 GLU H H 1 7.906 0.020 . 1 . . . A 30 GLU H . 17612 1 354 . 1 1 30 30 GLU HA H 1 3.819 0.020 . 1 . . . A 30 GLU HA . 17612 1 355 . 1 1 30 30 GLU HB2 H 1 2.057 0.020 . 2 . . . A 30 GLU HB2 . 17612 1 356 . 1 1 30 30 GLU HB3 H 1 1.890 0.020 . 2 . . . A 30 GLU HB3 . 17612 1 357 . 1 1 30 30 GLU HG2 H 1 2.493 0.020 . 2 . . . A 30 GLU HG2 . 17612 1 358 . 1 1 30 30 GLU HG3 H 1 2.096 0.020 . 2 . . . A 30 GLU HG3 . 17612 1 359 . 1 1 30 30 GLU C C 13 178.743 0.300 . 1 . . . A 30 GLU C . 17612 1 360 . 1 1 30 30 GLU CA C 13 59.301 0.300 . 1 . . . A 30 GLU CA . 17612 1 361 . 1 1 30 30 GLU CB C 13 29.728 0.300 . 1 . . . A 30 GLU CB . 17612 1 362 . 1 1 30 30 GLU CG C 13 37.817 0.300 . 1 . . . A 30 GLU CG . 17612 1 363 . 1 1 30 30 GLU N N 15 118.004 0.300 . 1 . . . A 30 GLU N . 17612 1 364 . 1 1 31 31 LYS H H 1 6.923 0.020 . 1 . . . A 31 LYS H . 17612 1 365 . 1 1 31 31 LYS HA H 1 4.098 0.020 . 1 . . . A 31 LYS HA . 17612 1 366 . 1 1 31 31 LYS HB2 H 1 1.872 0.020 . 2 . . . A 31 LYS HB2 . 17612 1 367 . 1 1 31 31 LYS HB3 H 1 1.826 0.020 . 2 . . . A 31 LYS HB3 . 17612 1 368 . 1 1 31 31 LYS HG2 H 1 1.553 0.020 . 2 . . . A 31 LYS HG2 . 17612 1 369 . 1 1 31 31 LYS HG3 H 1 1.553 0.020 . 2 . . . A 31 LYS HG3 . 17612 1 370 . 1 1 31 31 LYS HD2 H 1 1.683 0.020 . 2 . . . A 31 LYS HD2 . 17612 1 371 . 1 1 31 31 LYS HD3 H 1 1.683 0.020 . 2 . . . A 31 LYS HD3 . 17612 1 372 . 1 1 31 31 LYS HE2 H 1 2.868 0.020 . 2 . . . A 31 LYS HE2 . 17612 1 373 . 1 1 31 31 LYS HE3 H 1 2.868 0.020 . 2 . . . A 31 LYS HE3 . 17612 1 374 . 1 1 31 31 LYS C C 13 176.962 0.300 . 1 . . . A 31 LYS C . 17612 1 375 . 1 1 31 31 LYS CA C 13 57.799 0.300 . 1 . . . A 31 LYS CA . 17612 1 376 . 1 1 31 31 LYS CB C 13 33.063 0.300 . 1 . . . A 31 LYS CB . 17612 1 377 . 1 1 31 31 LYS CG C 13 24.947 0.300 . 1 . . . A 31 LYS CG . 17612 1 378 . 1 1 31 31 LYS CD C 13 29.481 0.300 . 1 . . . A 31 LYS CD . 17612 1 379 . 1 1 31 31 LYS CE C 13 42.014 0.300 . 1 . . . A 31 LYS CE . 17612 1 380 . 1 1 31 31 LYS N N 15 115.367 0.300 . 1 . . . A 31 LYS N . 17612 1 381 . 1 1 32 32 ASN H H 1 7.400 0.020 . 1 . . . A 32 ASN H . 17612 1 382 . 1 1 32 32 ASN HA H 1 5.039 0.020 . 1 . . . A 32 ASN HA . 17612 1 383 . 1 1 32 32 ASN HB2 H 1 2.941 0.020 . 2 . . . A 32 ASN HB2 . 17612 1 384 . 1 1 32 32 ASN HB3 H 1 2.714 0.020 . 2 . . . A 32 ASN HB3 . 17612 1 385 . 1 1 32 32 ASN HD21 H 1 7.921 0.020 . 2 . . . A 32 ASN HD21 . 17612 1 386 . 1 1 32 32 ASN HD22 H 1 6.933 0.020 . 2 . . . A 32 ASN HD22 . 17612 1 387 . 1 1 32 32 ASN C C 13 171.859 0.300 . 1 . . . A 32 ASN C . 17612 1 388 . 1 1 32 32 ASN CA C 13 50.952 0.300 . 1 . . . A 32 ASN CA . 17612 1 389 . 1 1 32 32 ASN CB C 13 38.869 0.300 . 1 . . . A 32 ASN CB . 17612 1 390 . 1 1 32 32 ASN N N 15 114.257 0.300 . 1 . . . A 32 ASN N . 17612 1 391 . 1 1 32 32 ASN ND2 N 15 112.826 0.300 . 1 . . . A 32 ASN ND2 . 17612 1 392 . 1 1 33 33 PRO HA H 1 4.737 0.020 . 1 . . . A 33 PRO HA . 17612 1 393 . 1 1 33 33 PRO HB2 H 1 2.016 0.020 . 1 . . . A 33 PRO HB2 . 17612 1 394 . 1 1 33 33 PRO HB3 H 1 2.296 0.020 . 1 . . . A 33 PRO HB3 . 17612 1 395 . 1 1 33 33 PRO HG2 H 1 2.020 0.020 . 2 . . . A 33 PRO HG2 . 17612 1 396 . 1 1 33 33 PRO HG3 H 1 2.020 0.020 . 2 . . . A 33 PRO HG3 . 17612 1 397 . 1 1 33 33 PRO HD2 H 1 3.764 0.020 . 2 . . . A 33 PRO HD2 . 17612 1 398 . 1 1 33 33 PRO HD3 H 1 3.452 0.020 . 2 . . . A 33 PRO HD3 . 17612 1 399 . 1 1 33 33 PRO C C 13 176.564 0.300 . 1 . . . A 33 PRO C . 17612 1 400 . 1 1 33 33 PRO CA C 13 65.236 0.300 . 1 . . . A 33 PRO CA . 17612 1 401 . 1 1 33 33 PRO CB C 13 32.589 0.300 . 1 . . . A 33 PRO CB . 17612 1 402 . 1 1 33 33 PRO CG C 13 26.812 0.300 . 1 . . . A 33 PRO CG . 17612 1 403 . 1 1 33 33 PRO CD C 13 50.051 0.300 . 1 . . . A 33 PRO CD . 17612 1 404 . 1 1 34 34 GLU H H 1 7.722 0.020 . 1 . . . A 34 GLU H . 17612 1 405 . 1 1 34 34 GLU HA H 1 4.503 0.020 . 1 . . . A 34 GLU HA . 17612 1 406 . 1 1 34 34 GLU HB2 H 1 2.401 0.020 . 2 . . . A 34 GLU HB2 . 17612 1 407 . 1 1 34 34 GLU HB3 H 1 1.923 0.020 . 2 . . . A 34 GLU HB3 . 17612 1 408 . 1 1 34 34 GLU HG2 H 1 2.310 0.020 . 2 . . . A 34 GLU HG2 . 17612 1 409 . 1 1 34 34 GLU HG3 H 1 2.264 0.020 . 2 . . . A 34 GLU HG3 . 17612 1 410 . 1 1 34 34 GLU C C 13 176.164 0.300 . 1 . . . A 34 GLU C . 17612 1 411 . 1 1 34 34 GLU CA C 13 55.636 0.300 . 1 . . . A 34 GLU CA . 17612 1 412 . 1 1 34 34 GLU CB C 13 28.844 0.300 . 1 . . . A 34 GLU CB . 17612 1 413 . 1 1 34 34 GLU CG C 13 36.939 0.300 . 1 . . . A 34 GLU CG . 17612 1 414 . 1 1 34 34 GLU N N 15 112.053 0.300 . 1 . . . A 34 GLU N . 17612 1 415 . 1 1 35 35 ASP H H 1 7.721 0.020 . 1 . . . A 35 ASP H . 17612 1 416 . 1 1 35 35 ASP HA H 1 4.702 0.020 . 1 . . . A 35 ASP HA . 17612 1 417 . 1 1 35 35 ASP HB2 H 1 3.265 0.020 . 2 . . . A 35 ASP HB2 . 17612 1 418 . 1 1 35 35 ASP HB3 H 1 2.688 0.020 . 2 . . . A 35 ASP HB3 . 17612 1 419 . 1 1 35 35 ASP C C 13 176.275 0.300 . 1 . . . A 35 ASP C . 17612 1 420 . 1 1 35 35 ASP CA C 13 53.948 0.300 . 1 . . . A 35 ASP CA . 17612 1 421 . 1 1 35 35 ASP CB C 13 40.028 0.300 . 1 . . . A 35 ASP CB . 17612 1 422 . 1 1 35 35 ASP N N 15 119.261 0.300 . 1 . . . A 35 ASP N . 17612 1 423 . 1 1 36 36 MET H H 1 8.478 0.020 . 1 . . . A 36 MET H . 17612 1 424 . 1 1 36 36 MET HA H 1 4.683 0.020 . 1 . . . A 36 MET HA . 17612 1 425 . 1 1 36 36 MET HB2 H 1 2.214 0.020 . 2 . . . A 36 MET HB2 . 17612 1 426 . 1 1 36 36 MET HB3 H 1 2.143 0.020 . 2 . . . A 36 MET HB3 . 17612 1 427 . 1 1 36 36 MET HG2 H 1 3.027 0.020 . 1 . . . A 36 MET HG2 . 17612 1 428 . 1 1 36 36 MET HG3 H 1 2.771 0.020 . 1 . . . A 36 MET HG3 . 17612 1 429 . 1 1 36 36 MET HE1 H 1 2.060 0.020 . 1 . . . A 36 MET HE . 17612 1 430 . 1 1 36 36 MET HE2 H 1 2.060 0.020 . 1 . . . A 36 MET HE . 17612 1 431 . 1 1 36 36 MET HE3 H 1 2.060 0.020 . 1 . . . A 36 MET HE . 17612 1 432 . 1 1 36 36 MET C C 13 179.263 0.300 . 1 . . . A 36 MET C . 17612 1 433 . 1 1 36 36 MET CA C 13 56.339 0.300 . 1 . . . A 36 MET CA . 17612 1 434 . 1 1 36 36 MET CB C 13 30.544 0.300 . 1 . . . A 36 MET CB . 17612 1 435 . 1 1 36 36 MET CG C 13 32.521 0.300 . 1 . . . A 36 MET CG . 17612 1 436 . 1 1 36 36 MET CE C 13 17.471 0.300 . 1 . . . A 36 MET CE . 17612 1 437 . 1 1 36 36 MET N N 15 124.147 0.300 . 1 . . . A 36 MET N . 17612 1 438 . 1 1 37 37 GLU H H 1 8.569 0.020 . 1 . . . A 37 GLU H . 17612 1 439 . 1 1 37 37 GLU HA H 1 4.159 0.020 . 1 . . . A 37 GLU HA . 17612 1 440 . 1 1 37 37 GLU HB2 H 1 2.114 0.020 . 2 . . . A 37 GLU HB2 . 17612 1 441 . 1 1 37 37 GLU HB3 H 1 1.905 0.020 . 2 . . . A 37 GLU HB3 . 17612 1 442 . 1 1 37 37 GLU HG2 H 1 2.175 0.020 . 2 . . . A 37 GLU HG2 . 17612 1 443 . 1 1 37 37 GLU HG3 H 1 2.042 0.020 . 2 . . . A 37 GLU HG3 . 17612 1 444 . 1 1 37 37 GLU C C 13 180.450 0.300 . 1 . . . A 37 GLU C . 17612 1 445 . 1 1 37 37 GLU CA C 13 59.503 0.300 . 1 . . . A 37 GLU CA . 17612 1 446 . 1 1 37 37 GLU CB C 13 28.635 0.300 . 1 . . . A 37 GLU CB . 17612 1 447 . 1 1 37 37 GLU CG C 13 36.007 0.300 . 1 . . . A 37 GLU CG . 17612 1 448 . 1 1 37 37 GLU N N 15 121.405 0.300 . 1 . . . A 37 GLU N . 17612 1 449 . 1 1 38 38 TYR H H 1 7.542 0.020 . 1 . . . A 38 TYR H . 17612 1 450 . 1 1 38 38 TYR HA H 1 4.032 0.020 . 1 . . . A 38 TYR HA . 17612 1 451 . 1 1 38 38 TYR HB2 H 1 2.599 0.020 . 2 . . . A 38 TYR HB2 . 17612 1 452 . 1 1 38 38 TYR HB3 H 1 2.520 0.020 . 2 . . . A 38 TYR HB3 . 17612 1 453 . 1 1 38 38 TYR HD1 H 1 7.128 0.020 . 3 . . . A 38 TYR HD1 . 17612 1 454 . 1 1 38 38 TYR HD2 H 1 7.128 0.020 . 3 . . . A 38 TYR HD2 . 17612 1 455 . 1 1 38 38 TYR C C 13 178.706 0.300 . 1 . . . A 38 TYR C . 17612 1 456 . 1 1 38 38 TYR CA C 13 63.019 0.300 . 1 . . . A 38 TYR CA . 17612 1 457 . 1 1 38 38 TYR CB C 13 38.653 0.300 . 1 . . . A 38 TYR CB . 17612 1 458 . 1 1 38 38 TYR CD1 C 13 132.800 0.300 . 1 . . . A 38 TYR CD1 . 17612 1 459 . 1 1 38 38 TYR N N 15 117.494 0.300 . 1 . . . A 38 TYR N . 17612 1 460 . 1 1 39 39 TRP H H 1 7.416 0.020 . 1 . . . A 39 TRP H . 17612 1 461 . 1 1 39 39 TRP HA H 1 4.708 0.020 . 1 . . . A 39 TRP HA . 17612 1 462 . 1 1 39 39 TRP HB2 H 1 3.235 0.020 . 2 . . . A 39 TRP HB2 . 17612 1 463 . 1 1 39 39 TRP HB3 H 1 3.235 0.020 . 2 . . . A 39 TRP HB3 . 17612 1 464 . 1 1 39 39 TRP HD1 H 1 7.238 0.020 . 1 . . . A 39 TRP HD1 . 17612 1 465 . 1 1 39 39 TRP HE1 H 1 10.670 0.020 . 1 . . . A 39 TRP HE1 . 17612 1 466 . 1 1 39 39 TRP HZ2 H 1 7.109 0.020 . 1 . . . A 39 TRP HZ2 . 17612 1 467 . 1 1 39 39 TRP HH2 H 1 6.770 0.020 . 1 . . . A 39 TRP HH2 . 17612 1 468 . 1 1 39 39 TRP C C 13 178.316 0.300 . 1 . . . A 39 TRP C . 17612 1 469 . 1 1 39 39 TRP CA C 13 61.027 0.300 . 1 . . . A 39 TRP CA . 17612 1 470 . 1 1 39 39 TRP CB C 13 29.548 0.300 . 1 . . . A 39 TRP CB . 17612 1 471 . 1 1 39 39 TRP CD1 C 13 128.585 0.300 . 1 . . . A 39 TRP CD1 . 17612 1 472 . 1 1 39 39 TRP CZ2 C 13 114.827 0.300 . 1 . . . A 39 TRP CZ2 . 17612 1 473 . 1 1 39 39 TRP CH2 C 13 122.257 0.300 . 1 . . . A 39 TRP CH2 . 17612 1 474 . 1 1 39 39 TRP N N 15 118.339 0.300 . 1 . . . A 39 TRP N . 17612 1 475 . 1 1 39 39 TRP NE1 N 15 130.574 0.300 . 1 . . . A 39 TRP NE1 . 17612 1 476 . 1 1 40 40 ASN H H 1 8.361 0.020 . 1 . . . A 40 ASN H . 17612 1 477 . 1 1 40 40 ASN HA H 1 4.503 0.020 . 1 . . . A 40 ASN HA . 17612 1 478 . 1 1 40 40 ASN HB2 H 1 2.917 0.020 . 2 . . . A 40 ASN HB2 . 17612 1 479 . 1 1 40 40 ASN HB3 H 1 2.733 0.020 . 2 . . . A 40 ASN HB3 . 17612 1 480 . 1 1 40 40 ASN HD21 H 1 7.359 0.020 . 2 . . . A 40 ASN HD21 . 17612 1 481 . 1 1 40 40 ASN HD22 H 1 6.999 0.020 . 2 . . . A 40 ASN HD22 . 17612 1 482 . 1 1 40 40 ASN C C 13 177.555 0.300 . 1 . . . A 40 ASN C . 17612 1 483 . 1 1 40 40 ASN CA C 13 57.159 0.300 . 1 . . . A 40 ASN CA . 17612 1 484 . 1 1 40 40 ASN CB C 13 38.914 0.300 . 1 . . . A 40 ASN CB . 17612 1 485 . 1 1 40 40 ASN N N 15 118.079 0.300 . 1 . . . A 40 ASN N . 17612 1 486 . 1 1 40 40 ASN ND2 N 15 113.536 0.300 . 1 . . . A 40 ASN ND2 . 17612 1 487 . 1 1 41 41 LYS H H 1 7.661 0.020 . 1 . . . A 41 LYS H . 17612 1 488 . 1 1 41 41 LYS HA H 1 4.011 0.020 . 1 . . . A 41 LYS HA . 17612 1 489 . 1 1 41 41 LYS HB2 H 1 2.061 0.020 . 2 . . . A 41 LYS HB2 . 17612 1 490 . 1 1 41 41 LYS HB3 H 1 1.963 0.020 . 2 . . . A 41 LYS HB3 . 17612 1 491 . 1 1 41 41 LYS HG2 H 1 1.543 0.020 . 2 . . . A 41 LYS HG2 . 17612 1 492 . 1 1 41 41 LYS HG3 H 1 1.543 0.020 . 2 . . . A 41 LYS HG3 . 17612 1 493 . 1 1 41 41 LYS C C 13 179.337 0.300 . 1 . . . A 41 LYS C . 17612 1 494 . 1 1 41 41 LYS CA C 13 60.323 0.300 . 1 . . . A 41 LYS CA . 17612 1 495 . 1 1 41 41 LYS CB C 13 32.583 0.300 . 1 . . . A 41 LYS CB . 17612 1 496 . 1 1 41 41 LYS CG C 13 25.153 0.300 . 1 . . . A 41 LYS CG . 17612 1 497 . 1 1 41 41 LYS N N 15 120.815 0.300 . 1 . . . A 41 LYS N . 17612 1 498 . 1 1 42 42 ILE H H 1 8.471 0.020 . 1 . . . A 42 ILE H . 17612 1 499 . 1 1 42 42 ILE HA H 1 3.696 0.020 . 1 . . . A 42 ILE HA . 17612 1 500 . 1 1 42 42 ILE HB H 1 2.214 0.020 . 1 . . . A 42 ILE HB . 17612 1 501 . 1 1 42 42 ILE HG21 H 1 1.002 0.020 . 1 . . . A 42 ILE HG2 . 17612 1 502 . 1 1 42 42 ILE HG22 H 1 1.002 0.020 . 1 . . . A 42 ILE HG2 . 17612 1 503 . 1 1 42 42 ILE HG23 H 1 1.002 0.020 . 1 . . . A 42 ILE HG2 . 17612 1 504 . 1 1 42 42 ILE HG12 H 1 1.950 0.020 . 2 . . . A 42 ILE HG12 . 17612 1 505 . 1 1 42 42 ILE HG13 H 1 0.978 0.020 . 2 . . . A 42 ILE HG13 . 17612 1 506 . 1 1 42 42 ILE HD11 H 1 0.305 0.020 . 1 . . . A 42 ILE HD1 . 17612 1 507 . 1 1 42 42 ILE HD12 H 1 0.305 0.020 . 1 . . . A 42 ILE HD1 . 17612 1 508 . 1 1 42 42 ILE HD13 H 1 0.305 0.020 . 1 . . . A 42 ILE HD1 . 17612 1 509 . 1 1 42 42 ILE C C 13 177.036 0.300 . 1 . . . A 42 ILE C . 17612 1 510 . 1 1 42 42 ILE CA C 13 66.183 0.300 . 1 . . . A 42 ILE CA . 17612 1 511 . 1 1 42 42 ILE CB C 13 38.299 0.300 . 1 . . . A 42 ILE CB . 17612 1 512 . 1 1 42 42 ILE CG1 C 13 30.878 0.300 . 1 . . . A 42 ILE CG1 . 17612 1 513 . 1 1 42 42 ILE CG2 C 13 16.057 0.300 . 1 . . . A 42 ILE CG2 . 17612 1 514 . 1 1 42 42 ILE CD1 C 13 13.681 0.300 . 1 . . . A 42 ILE CD1 . 17612 1 515 . 1 1 42 42 ILE N N 15 119.928 0.300 . 1 . . . A 42 ILE N . 17612 1 516 . 1 1 43 43 TYR H H 1 8.813 0.020 . 1 . . . A 43 TYR H . 17612 1 517 . 1 1 43 43 TYR HA H 1 3.757 0.020 . 1 . . . A 43 TYR HA . 17612 1 518 . 1 1 43 43 TYR HB2 H 1 3.402 0.020 . 2 . . . A 43 TYR HB2 . 17612 1 519 . 1 1 43 43 TYR HB3 H 1 3.229 0.020 . 2 . . . A 43 TYR HB3 . 17612 1 520 . 1 1 43 43 TYR HD1 H 1 6.951 0.020 . 3 . . . A 43 TYR HD1 . 17612 1 521 . 1 1 43 43 TYR HD2 H 1 6.951 0.020 . 3 . . . A 43 TYR HD2 . 17612 1 522 . 1 1 43 43 TYR HE1 H 1 6.840 0.020 . 3 . . . A 43 TYR HE1 . 17612 1 523 . 1 1 43 43 TYR HE2 H 1 6.840 0.020 . 3 . . . A 43 TYR HE2 . 17612 1 524 . 1 1 43 43 TYR C C 13 176.758 0.300 . 1 . . . A 43 TYR C . 17612 1 525 . 1 1 43 43 TYR CA C 13 63.181 0.300 . 1 . . . A 43 TYR CA . 17612 1 526 . 1 1 43 43 TYR CB C 13 38.517 0.300 . 1 . . . A 43 TYR CB . 17612 1 527 . 1 1 43 43 TYR CD1 C 13 132.353 0.300 . 1 . . . A 43 TYR CD1 . 17612 1 528 . 1 1 43 43 TYR CE1 C 13 118.310 0.300 . 1 . . . A 43 TYR CE1 . 17612 1 529 . 1 1 43 43 TYR N N 15 119.814 0.300 . 1 . . . A 43 TYR N . 17612 1 530 . 1 1 44 44 ARG H H 1 8.004 0.020 . 1 . . . A 44 ARG H . 17612 1 531 . 1 1 44 44 ARG HA H 1 4.093 0.020 . 1 . . . A 44 ARG HA . 17612 1 532 . 1 1 44 44 ARG HB2 H 1 2.041 0.020 . 2 . . . A 44 ARG HB2 . 17612 1 533 . 1 1 44 44 ARG HB3 H 1 2.041 0.020 . 2 . . . A 44 ARG HB3 . 17612 1 534 . 1 1 44 44 ARG HG2 H 1 1.985 0.020 . 2 . . . A 44 ARG HG2 . 17612 1 535 . 1 1 44 44 ARG HG3 H 1 1.792 0.020 . 2 . . . A 44 ARG HG3 . 17612 1 536 . 1 1 44 44 ARG HD2 H 1 3.283 0.020 . 2 . . . A 44 ARG HD2 . 17612 1 537 . 1 1 44 44 ARG HD3 H 1 3.235 0.020 . 2 . . . A 44 ARG HD3 . 17612 1 538 . 1 1 44 44 ARG C C 13 179.764 0.300 . 1 . . . A 44 ARG C . 17612 1 539 . 1 1 44 44 ARG CA C 13 59.503 0.300 . 1 . . . A 44 ARG CA . 17612 1 540 . 1 1 44 44 ARG CB C 13 29.962 0.300 . 1 . . . A 44 ARG CB . 17612 1 541 . 1 1 44 44 ARG CG C 13 27.749 0.300 . 1 . . . A 44 ARG CG . 17612 1 542 . 1 1 44 44 ARG CD C 13 43.454 0.300 . 1 . . . A 44 ARG CD . 17612 1 543 . 1 1 44 44 ARG N N 15 116.221 0.300 . 1 . . . A 44 ARG N . 17612 1 544 . 1 1 45 45 LEU H H 1 8.176 0.020 . 1 . . . A 45 LEU H . 17612 1 545 . 1 1 45 45 LEU HA H 1 4.138 0.020 . 1 . . . A 45 LEU HA . 17612 1 546 . 1 1 45 45 LEU HB2 H 1 2.053 0.020 . 2 . . . A 45 LEU HB2 . 17612 1 547 . 1 1 45 45 LEU HB3 H 1 1.299 0.020 . 2 . . . A 45 LEU HB3 . 17612 1 548 . 1 1 45 45 LEU HG H 1 1.897 0.020 . 1 . . . A 45 LEU HG . 17612 1 549 . 1 1 45 45 LEU HD11 H 1 0.905 0.020 . 2 . . . A 45 LEU HD1 . 17612 1 550 . 1 1 45 45 LEU HD12 H 1 0.905 0.020 . 2 . . . A 45 LEU HD1 . 17612 1 551 . 1 1 45 45 LEU HD13 H 1 0.905 0.020 . 2 . . . A 45 LEU HD1 . 17612 1 552 . 1 1 45 45 LEU HD21 H 1 0.972 0.020 . 2 . . . A 45 LEU HD2 . 17612 1 553 . 1 1 45 45 LEU HD22 H 1 0.972 0.020 . 2 . . . A 45 LEU HD2 . 17612 1 554 . 1 1 45 45 LEU HD23 H 1 0.972 0.020 . 2 . . . A 45 LEU HD2 . 17612 1 555 . 1 1 45 45 LEU C C 13 179.374 0.300 . 1 . . . A 45 LEU C . 17612 1 556 . 1 1 45 45 LEU CA C 13 58.448 0.300 . 1 . . . A 45 LEU CA . 17612 1 557 . 1 1 45 45 LEU CB C 13 42.631 0.300 . 1 . . . A 45 LEU CB . 17612 1 558 . 1 1 45 45 LEU CG C 13 27.385 0.300 . 1 . . . A 45 LEU CG . 17612 1 559 . 1 1 45 45 LEU CD1 C 13 26.037 0.300 . 1 . . . A 45 LEU CD1 . 17612 1 560 . 1 1 45 45 LEU CD2 C 13 23.688 0.300 . 1 . . . A 45 LEU CD2 . 17612 1 561 . 1 1 45 45 LEU N N 15 121.211 0.300 . 1 . . . A 45 LEU N . 17612 1 562 . 1 1 46 46 VAL H H 1 8.717 0.020 . 1 . . . A 46 VAL H . 17612 1 563 . 1 1 46 46 VAL HA H 1 3.634 0.020 . 1 . . . A 46 VAL HA . 17612 1 564 . 1 1 46 46 VAL HB H 1 2.070 0.020 . 1 . . . A 46 VAL HB . 17612 1 565 . 1 1 46 46 VAL HG11 H 1 0.944 0.020 . 2 . . . A 46 VAL HG1 . 17612 1 566 . 1 1 46 46 VAL HG12 H 1 0.944 0.020 . 2 . . . A 46 VAL HG1 . 17612 1 567 . 1 1 46 46 VAL HG13 H 1 0.944 0.020 . 2 . . . A 46 VAL HG1 . 17612 1 568 . 1 1 46 46 VAL HG21 H 1 1.008 0.020 . 2 . . . A 46 VAL HG2 . 17612 1 569 . 1 1 46 46 VAL HG22 H 1 1.008 0.020 . 2 . . . A 46 VAL HG2 . 17612 1 570 . 1 1 46 46 VAL HG23 H 1 1.008 0.020 . 2 . . . A 46 VAL HG2 . 17612 1 571 . 1 1 46 46 VAL C C 13 177.407 0.300 . 1 . . . A 46 VAL C . 17612 1 572 . 1 1 46 46 VAL CA C 13 66.741 0.300 . 1 . . . A 46 VAL CA . 17612 1 573 . 1 1 46 46 VAL CB C 13 30.915 0.300 . 1 . . . A 46 VAL CB . 17612 1 574 . 1 1 46 46 VAL CG1 C 13 23.104 0.300 . 1 . . . A 46 VAL CG1 . 17612 1 575 . 1 1 46 46 VAL CG2 C 13 23.473 0.300 . 1 . . . A 46 VAL CG2 . 17612 1 576 . 1 1 46 46 VAL N N 15 119.274 0.300 . 1 . . . A 46 VAL N . 17612 1 577 . 1 1 47 47 HIS H H 1 8.738 0.020 . 1 . . . A 47 HIS H . 17612 1 578 . 1 1 47 47 HIS HA H 1 4.265 0.020 . 1 . . . A 47 HIS HA . 17612 1 579 . 1 1 47 47 HIS HB2 H 1 3.294 0.020 . 2 . . . A 47 HIS HB2 . 17612 1 580 . 1 1 47 47 HIS HB3 H 1 2.803 0.020 . 2 . . . A 47 HIS HB3 . 17612 1 581 . 1 1 47 47 HIS HD2 H 1 6.978 0.020 . 1 . . . A 47 HIS HD2 . 17612 1 582 . 1 1 47 47 HIS C C 13 177.741 0.300 . 1 . . . A 47 HIS C . 17612 1 583 . 1 1 47 47 HIS CA C 13 60.089 0.300 . 1 . . . A 47 HIS CA . 17612 1 584 . 1 1 47 47 HIS CB C 13 29.899 0.300 . 1 . . . A 47 HIS CB . 17612 1 585 . 1 1 47 47 HIS CD2 C 13 119.870 0.300 . 1 . . . A 47 HIS CD2 . 17612 1 586 . 1 1 47 47 HIS N N 15 121.429 0.300 . 1 . . . A 47 HIS N . 17612 1 587 . 1 1 48 48 THR H H 1 8.188 0.020 . 1 . . . A 48 THR H . 17612 1 588 . 1 1 48 48 THR HA H 1 3.913 0.020 . 1 . . . A 48 THR HA . 17612 1 589 . 1 1 48 48 THR HB H 1 4.417 0.020 . 1 . . . A 48 THR HB . 17612 1 590 . 1 1 48 48 THR HG21 H 1 1.249 0.020 . 1 . . . A 48 THR HG2 . 17612 1 591 . 1 1 48 48 THR HG22 H 1 1.249 0.020 . 1 . . . A 48 THR HG2 . 17612 1 592 . 1 1 48 48 THR HG23 H 1 1.249 0.020 . 1 . . . A 48 THR HG2 . 17612 1 593 . 1 1 48 48 THR C C 13 176.501 0.300 . 1 . . . A 48 THR C . 17612 1 594 . 1 1 48 48 THR CA C 13 67.003 0.300 . 1 . . . A 48 THR CA . 17612 1 595 . 1 1 48 48 THR CB C 13 68.644 0.300 . 1 . . . A 48 THR CB . 17612 1 596 . 1 1 48 48 THR CG2 C 13 21.777 0.300 . 1 . . . A 48 THR CG2 . 17612 1 597 . 1 1 48 48 THR N N 15 117.163 0.300 . 1 . . . A 48 THR N . 17612 1 598 . 1 1 49 49 MET H H 1 8.354 0.020 . 1 . . . A 49 MET H . 17612 1 599 . 1 1 49 49 MET HA H 1 3.708 0.020 . 1 . . . A 49 MET HA . 17612 1 600 . 1 1 49 49 MET HB2 H 1 2.442 0.020 . 2 . . . A 49 MET HB2 . 17612 1 601 . 1 1 49 49 MET HB3 H 1 1.918 0.020 . 2 . . . A 49 MET HB3 . 17612 1 602 . 1 1 49 49 MET HG2 H 1 2.858 0.020 . 2 . . . A 49 MET HG2 . 17612 1 603 . 1 1 49 49 MET HG3 H 1 2.224 0.020 . 2 . . . A 49 MET HG3 . 17612 1 604 . 1 1 49 49 MET HE1 H 1 1.841 0.020 . 1 . . . A 49 MET HE . 17612 1 605 . 1 1 49 49 MET HE2 H 1 1.841 0.020 . 1 . . . A 49 MET HE . 17612 1 606 . 1 1 49 49 MET HE3 H 1 1.841 0.020 . 1 . . . A 49 MET HE . 17612 1 607 . 1 1 49 49 MET C C 13 178.094 0.300 . 1 . . . A 49 MET C . 17612 1 608 . 1 1 49 49 MET CA C 13 60.206 0.300 . 1 . . . A 49 MET CA . 17612 1 609 . 1 1 49 49 MET CB C 13 34.821 0.300 . 1 . . . A 49 MET CB . 17612 1 610 . 1 1 49 49 MET CG C 13 33.427 0.300 . 1 . . . A 49 MET CG . 17612 1 611 . 1 1 49 49 MET CE C 13 17.191 0.300 . 1 . . . A 49 MET CE . 17612 1 612 . 1 1 49 49 MET N N 15 118.989 0.300 . 1 . . . A 49 MET N . 17612 1 613 . 1 1 50 50 LYS H H 1 9.019 0.020 . 1 . . . A 50 LYS H . 17612 1 614 . 1 1 50 50 LYS HA H 1 3.688 0.020 . 1 . . . A 50 LYS HA . 17612 1 615 . 1 1 50 50 LYS HB2 H 1 2.133 0.020 . 2 . . . A 50 LYS HB2 . 17612 1 616 . 1 1 50 50 LYS HB3 H 1 1.684 0.020 . 2 . . . A 50 LYS HB3 . 17612 1 617 . 1 1 50 50 LYS HG2 H 1 1.384 0.020 . 2 . . . A 50 LYS HG2 . 17612 1 618 . 1 1 50 50 LYS HG3 H 1 1.305 0.020 . 2 . . . A 50 LYS HG3 . 17612 1 619 . 1 1 50 50 LYS HD2 H 1 1.650 0.020 . 2 . . . A 50 LYS HD2 . 17612 1 620 . 1 1 50 50 LYS HD3 H 1 1.650 0.020 . 2 . . . A 50 LYS HD3 . 17612 1 621 . 1 1 50 50 LYS HE2 H 1 2.984 0.020 . 2 . . . A 50 LYS HE2 . 17612 1 622 . 1 1 50 50 LYS HE3 H 1 2.984 0.020 . 2 . . . A 50 LYS HE3 . 17612 1 623 . 1 1 50 50 LYS C C 13 177.463 0.300 . 1 . . . A 50 LYS C . 17612 1 624 . 1 1 50 50 LYS CA C 13 60.441 0.300 . 1 . . . A 50 LYS CA . 17612 1 625 . 1 1 50 50 LYS CB C 13 31.711 0.300 . 1 . . . A 50 LYS CB . 17612 1 626 . 1 1 50 50 LYS CG C 13 25.021 0.300 . 1 . . . A 50 LYS CG . 17612 1 627 . 1 1 50 50 LYS CD C 13 29.445 0.300 . 1 . . . A 50 LYS CD . 17612 1 628 . 1 1 50 50 LYS CE C 13 42.088 0.300 . 1 . . . A 50 LYS CE . 17612 1 629 . 1 1 50 50 LYS N N 15 123.588 0.300 . 1 . . . A 50 LYS N . 17612 1 630 . 1 1 51 51 GLU H H 1 7.990 0.020 . 1 . . . A 51 GLU H . 17612 1 631 . 1 1 51 51 GLU HA H 1 4.016 0.020 . 1 . . . A 51 GLU HA . 17612 1 632 . 1 1 51 51 GLU HB2 H 1 2.114 0.020 . 2 . . . A 51 GLU HB2 . 17612 1 633 . 1 1 51 51 GLU HB3 H 1 2.073 0.020 . 2 . . . A 51 GLU HB3 . 17612 1 634 . 1 1 51 51 GLU HG2 H 1 2.248 0.020 . 2 . . . A 51 GLU HG2 . 17612 1 635 . 1 1 51 51 GLU HG3 H 1 2.058 0.020 . 2 . . . A 51 GLU HG3 . 17612 1 636 . 1 1 51 51 GLU C C 13 179.893 0.300 . 1 . . . A 51 GLU C . 17612 1 637 . 1 1 51 51 GLU CA C 13 59.678 0.300 . 1 . . . A 51 GLU CA . 17612 1 638 . 1 1 51 51 GLU CB C 13 29.385 0.300 . 1 . . . A 51 GLU CB . 17612 1 639 . 1 1 51 51 GLU CG C 13 36.343 0.300 . 1 . . . A 51 GLU CG . 17612 1 640 . 1 1 51 51 GLU N N 15 119.262 0.300 . 1 . . . A 51 GLU N . 17612 1 641 . 1 1 52 52 ILE H H 1 8.074 0.020 . 1 . . . A 52 ILE H . 17612 1 642 . 1 1 52 52 ILE HA H 1 3.684 0.020 . 1 . . . A 52 ILE HA . 17612 1 643 . 1 1 52 52 ILE HB H 1 1.727 0.020 . 1 . . . A 52 ILE HB . 17612 1 644 . 1 1 52 52 ILE HG21 H 1 0.787 0.020 . 1 . . . A 52 ILE HG2 . 17612 1 645 . 1 1 52 52 ILE HG22 H 1 0.787 0.020 . 1 . . . A 52 ILE HG2 . 17612 1 646 . 1 1 52 52 ILE HG23 H 1 0.787 0.020 . 1 . . . A 52 ILE HG2 . 17612 1 647 . 1 1 52 52 ILE HG12 H 1 1.850 0.020 . 2 . . . A 52 ILE HG12 . 17612 1 648 . 1 1 52 52 ILE HG13 H 1 0.953 0.020 . 2 . . . A 52 ILE HG13 . 17612 1 649 . 1 1 52 52 ILE HD11 H 1 0.702 0.020 . 1 . . . A 52 ILE HD1 . 17612 1 650 . 1 1 52 52 ILE HD12 H 1 0.702 0.020 . 1 . . . A 52 ILE HD1 . 17612 1 651 . 1 1 52 52 ILE HD13 H 1 0.702 0.020 . 1 . . . A 52 ILE HD1 . 17612 1 652 . 1 1 52 52 ILE C C 13 179.003 0.300 . 1 . . . A 52 ILE C . 17612 1 653 . 1 1 52 52 ILE CA C 13 65.714 0.300 . 1 . . . A 52 ILE CA . 17612 1 654 . 1 1 52 52 ILE CB C 13 38.806 0.300 . 1 . . . A 52 ILE CB . 17612 1 655 . 1 1 52 52 ILE CG1 C 13 28.508 0.300 . 1 . . . A 52 ILE CG1 . 17612 1 656 . 1 1 52 52 ILE CG2 C 13 17.721 0.300 . 1 . . . A 52 ILE CG2 . 17612 1 657 . 1 1 52 52 ILE CD1 C 13 14.109 0.300 . 1 . . . A 52 ILE CD1 . 17612 1 658 . 1 1 52 52 ILE N N 15 119.582 0.300 . 1 . . . A 52 ILE N . 17612 1 659 . 1 1 53 53 THR H H 1 8.471 0.020 . 1 . . . A 53 THR H . 17612 1 660 . 1 1 53 53 THR HA H 1 3.766 0.020 . 1 . . . A 53 THR HA . 17612 1 661 . 1 1 53 53 THR HB H 1 4.339 0.020 . 1 . . . A 53 THR HB . 17612 1 662 . 1 1 53 53 THR HG21 H 1 1.345 0.020 . 1 . . . A 53 THR HG2 . 17612 1 663 . 1 1 53 53 THR HG22 H 1 1.345 0.020 . 1 . . . A 53 THR HG2 . 17612 1 664 . 1 1 53 53 THR HG23 H 1 1.345 0.020 . 1 . . . A 53 THR HG2 . 17612 1 665 . 1 1 53 53 THR C C 13 177.351 0.300 . 1 . . . A 53 THR C . 17612 1 666 . 1 1 53 53 THR CA C 13 66.534 0.300 . 1 . . . A 53 THR CA . 17612 1 667 . 1 1 53 53 THR CB C 13 68.644 0.300 . 1 . . . A 53 THR CB . 17612 1 668 . 1 1 53 53 THR CG2 C 13 24.084 0.300 . 1 . . . A 53 THR CG2 . 17612 1 669 . 1 1 53 53 THR N N 15 110.050 0.300 . 1 . . . A 53 THR N . 17612 1 670 . 1 1 54 54 GLU H H 1 8.465 0.020 . 1 . . . A 54 GLU H . 17612 1 671 . 1 1 54 54 GLU HA H 1 3.987 0.020 . 1 . . . A 54 GLU HA . 17612 1 672 . 1 1 54 54 GLU HB2 H 1 2.139 0.020 . 2 . . . A 54 GLU HB2 . 17612 1 673 . 1 1 54 54 GLU HB3 H 1 1.987 0.020 . 2 . . . A 54 GLU HB3 . 17612 1 674 . 1 1 54 54 GLU HG2 H 1 2.372 0.020 . 2 . . . A 54 GLU HG2 . 17612 1 675 . 1 1 54 54 GLU HG3 H 1 2.172 0.020 . 2 . . . A 54 GLU HG3 . 17612 1 676 . 1 1 54 54 GLU C C 13 180.617 0.300 . 1 . . . A 54 GLU C . 17612 1 677 . 1 1 54 54 GLU CA C 13 59.738 0.300 . 1 . . . A 54 GLU CA . 17612 1 678 . 1 1 54 54 GLU CB C 13 29.268 0.300 . 1 . . . A 54 GLU CB . 17612 1 679 . 1 1 54 54 GLU CG C 13 36.966 0.300 . 1 . . . A 54 GLU CG . 17612 1 680 . 1 1 54 54 GLU N N 15 122.358 0.300 . 1 . . . A 54 GLU N . 17612 1 681 . 1 1 55 55 THR H H 1 8.012 0.020 . 1 . . . A 55 THR H . 17612 1 682 . 1 1 55 55 THR HA H 1 3.962 0.020 . 1 . . . A 55 THR HA . 17612 1 683 . 1 1 55 55 THR HB H 1 4.351 0.020 . 1 . . . A 55 THR HB . 17612 1 684 . 1 1 55 55 THR HG21 H 1 1.248 0.020 . 1 . . . A 55 THR HG2 . 17612 1 685 . 1 1 55 55 THR HG22 H 1 1.248 0.020 . 1 . . . A 55 THR HG2 . 17612 1 686 . 1 1 55 55 THR HG23 H 1 1.248 0.020 . 1 . . . A 55 THR HG2 . 17612 1 687 . 1 1 55 55 THR C C 13 176.053 0.300 . 1 . . . A 55 THR C . 17612 1 688 . 1 1 55 55 THR CA C 13 66.300 0.300 . 1 . . . A 55 THR CA . 17612 1 689 . 1 1 55 55 THR CB C 13 68.644 0.300 . 1 . . . A 55 THR CB . 17612 1 690 . 1 1 55 55 THR CG2 C 13 21.629 0.300 . 1 . . . A 55 THR CG2 . 17612 1 691 . 1 1 55 55 THR N N 15 117.720 0.300 . 1 . . . A 55 THR N . 17612 1 692 . 1 1 56 56 MET H H 1 7.649 0.020 . 1 . . . A 56 MET H . 17612 1 693 . 1 1 56 56 MET HA H 1 4.282 0.020 . 1 . . . A 56 MET HA . 17612 1 694 . 1 1 56 56 MET HB2 H 1 1.356 0.020 . 2 . . . A 56 MET HB2 . 17612 1 695 . 1 1 56 56 MET HB3 H 1 1.356 0.020 . 2 . . . A 56 MET HB3 . 17612 1 696 . 1 1 56 56 MET HG2 H 1 2.210 0.020 . 2 . . . A 56 MET HG2 . 17612 1 697 . 1 1 56 56 MET HG3 H 1 2.352 0.020 . 2 . . . A 56 MET HG3 . 17612 1 698 . 1 1 56 56 MET HE1 H 1 1.769 0.020 . 1 . . . A 56 MET HE . 17612 1 699 . 1 1 56 56 MET HE2 H 1 1.769 0.020 . 1 . . . A 56 MET HE . 17612 1 700 . 1 1 56 56 MET HE3 H 1 1.769 0.020 . 1 . . . A 56 MET HE . 17612 1 701 . 1 1 56 56 MET C C 13 175.888 0.300 . 1 . . . A 56 MET C . 17612 1 702 . 1 1 56 56 MET CA C 13 55.284 0.300 . 1 . . . A 56 MET CA . 17612 1 703 . 1 1 56 56 MET CB C 13 32.135 0.300 . 1 . . . A 56 MET CB . 17612 1 704 . 1 1 56 56 MET CG C 13 32.135 0.300 . 1 . . . A 56 MET CG . 17612 1 705 . 1 1 56 56 MET CE C 13 17.178 0.300 . 1 . . . A 56 MET CE . 17612 1 706 . 1 1 56 56 MET N N 15 116.847 0.300 . 1 . . . A 56 MET N . 17612 1 707 . 1 1 57 57 GLY H H 1 7.543 0.020 . 1 . . . A 57 GLY H . 17612 1 708 . 1 1 57 57 GLY HA2 H 1 4.187 0.020 . 2 . . . A 57 GLY HA2 . 17612 1 709 . 1 1 57 57 GLY HA3 H 1 3.842 0.020 . 2 . . . A 57 GLY HA3 . 17612 1 710 . 1 1 57 57 GLY C C 13 175.915 0.300 . 1 . . . A 57 GLY C . 17612 1 711 . 1 1 57 57 GLY CA C 13 45.285 0.300 . 1 . . . A 57 GLY CA . 17612 1 712 . 1 1 57 57 GLY N N 15 105.724 0.300 . 1 . . . A 57 GLY N . 17612 1 713 . 1 1 58 58 PHE H H 1 8.176 0.020 . 1 . . . A 58 PHE H . 17612 1 714 . 1 1 58 58 PHE HA H 1 5.348 0.020 . 1 . . . A 58 PHE HA . 17612 1 715 . 1 1 58 58 PHE HB2 H 1 3.301 0.020 . 2 . . . A 58 PHE HB2 . 17612 1 716 . 1 1 58 58 PHE HB3 H 1 3.075 0.020 . 2 . . . A 58 PHE HB3 . 17612 1 717 . 1 1 58 58 PHE HD1 H 1 6.974 0.020 . 3 . . . A 58 PHE HD1 . 17612 1 718 . 1 1 58 58 PHE HD2 H 1 6.974 0.020 . 3 . . . A 58 PHE HD2 . 17612 1 719 . 1 1 58 58 PHE HE1 H 1 7.206 0.020 . 3 . . . A 58 PHE HE1 . 17612 1 720 . 1 1 58 58 PHE HE2 H 1 7.206 0.020 . 3 . . . A 58 PHE HE2 . 17612 1 721 . 1 1 58 58 PHE C C 13 176.702 0.300 . 1 . . . A 58 PHE C . 17612 1 722 . 1 1 58 58 PHE CA C 13 52.165 0.300 . 1 . . . A 58 PHE CA . 17612 1 723 . 1 1 58 58 PHE CB C 13 35.192 0.300 . 1 . . . A 58 PHE CB . 17612 1 724 . 1 1 58 58 PHE CD1 C 13 129.969 0.300 . 1 . . . A 58 PHE CD1 . 17612 1 725 . 1 1 58 58 PHE CE1 C 13 131.496 0.300 . 1 . . . A 58 PHE CE1 . 17612 1 726 . 1 1 58 58 PHE N N 15 122.363 0.300 . 1 . . . A 58 PHE N . 17612 1 727 . 1 1 59 59 SER H H 1 7.983 0.020 . 1 . . . A 59 SER H . 17612 1 728 . 1 1 59 59 SER HA H 1 4.081 0.020 . 1 . . . A 59 SER HA . 17612 1 729 . 1 1 59 59 SER HB2 H 1 3.963 0.020 . 2 . . . A 59 SER HB2 . 17612 1 730 . 1 1 59 59 SER HB3 H 1 3.922 0.020 . 2 . . . A 59 SER HB3 . 17612 1 731 . 1 1 59 59 SER CA C 13 61.964 0.300 . 1 . . . A 59 SER CA . 17612 1 732 . 1 1 59 59 SER CB C 13 62.803 0.300 . 1 . . . A 59 SER CB . 17612 1 733 . 1 1 59 59 SER N N 15 117.743 0.300 . 1 . . . A 59 SER N . 17612 1 734 . 1 1 60 60 SER HA H 1 4.245 0.020 . 1 . . . A 60 SER HA . 17612 1 735 . 1 1 60 60 SER HB2 H 1 4.004 0.020 . 2 . . . A 60 SER HB2 . 17612 1 736 . 1 1 60 60 SER HB3 H 1 3.963 0.020 . 2 . . . A 60 SER HB3 . 17612 1 737 . 1 1 60 60 SER C C 13 177.028 0.300 . 1 . . . A 60 SER C . 17612 1 738 . 1 1 60 60 SER CA C 13 61.753 0.300 . 1 . . . A 60 SER CA . 17612 1 739 . 1 1 60 60 SER CB C 13 61.753 0.300 . 1 . . . A 60 SER CB . 17612 1 740 . 1 1 61 61 VAL H H 1 7.331 0.020 . 1 . . . A 61 VAL H . 17612 1 741 . 1 1 61 61 VAL HA H 1 3.689 0.020 . 1 . . . A 61 VAL HA . 17612 1 742 . 1 1 61 61 VAL HB H 1 2.163 0.020 . 1 . . . A 61 VAL HB . 17612 1 743 . 1 1 61 61 VAL HG11 H 1 1.069 0.020 . 2 . . . A 61 VAL HG1 . 17612 1 744 . 1 1 61 61 VAL HG12 H 1 1.069 0.020 . 2 . . . A 61 VAL HG1 . 17612 1 745 . 1 1 61 61 VAL HG13 H 1 1.069 0.020 . 2 . . . A 61 VAL HG1 . 17612 1 746 . 1 1 61 61 VAL HG21 H 1 0.944 0.020 . 2 . . . A 61 VAL HG2 . 17612 1 747 . 1 1 61 61 VAL HG22 H 1 0.944 0.020 . 2 . . . A 61 VAL HG2 . 17612 1 748 . 1 1 61 61 VAL HG23 H 1 0.944 0.020 . 2 . . . A 61 VAL HG2 . 17612 1 749 . 1 1 61 61 VAL C C 13 177.500 0.300 . 1 . . . A 61 VAL C . 17612 1 750 . 1 1 61 61 VAL CA C 13 65.714 0.300 . 1 . . . A 61 VAL CA . 17612 1 751 . 1 1 61 61 VAL CB C 13 31.705 0.300 . 1 . . . A 61 VAL CB . 17612 1 752 . 1 1 61 61 VAL CG1 C 13 23.334 0.300 . 1 . . . A 61 VAL CG1 . 17612 1 753 . 1 1 61 61 VAL CG2 C 13 22.619 0.300 . 1 . . . A 61 VAL CG2 . 17612 1 754 . 1 1 61 61 VAL N N 15 122.050 0.300 . 1 . . . A 61 VAL N . 17612 1 755 . 1 1 62 62 ALA H H 1 8.238 0.020 . 1 . . . A 62 ALA H . 17612 1 756 . 1 1 62 62 ALA HA H 1 4.021 0.020 . 1 . . . A 62 ALA HA . 17612 1 757 . 1 1 62 62 ALA HB1 H 1 1.491 0.020 . 1 . . . A 62 ALA HB . 17612 1 758 . 1 1 62 62 ALA HB2 H 1 1.491 0.020 . 1 . . . A 62 ALA HB . 17612 1 759 . 1 1 62 62 ALA HB3 H 1 1.491 0.020 . 1 . . . A 62 ALA HB . 17612 1 760 . 1 1 62 62 ALA C C 13 179.467 0.300 . 1 . . . A 62 ALA C . 17612 1 761 . 1 1 62 62 ALA CA C 13 56.096 0.300 . 1 . . . A 62 ALA CA . 17612 1 762 . 1 1 62 62 ALA CB C 13 18.180 0.300 . 1 . . . A 62 ALA CB . 17612 1 763 . 1 1 62 62 ALA N N 15 122.716 0.300 . 1 . . . A 62 ALA N . 17612 1 764 . 1 1 63 63 LYS H H 1 7.806 0.020 . 1 . . . A 63 LYS H . 17612 1 765 . 1 1 63 63 LYS HA H 1 4.120 0.020 . 1 . . . A 63 LYS HA . 17612 1 766 . 1 1 63 63 LYS HB2 H 1 1.947 0.020 . 2 . . . A 63 LYS HB2 . 17612 1 767 . 1 1 63 63 LYS HB3 H 1 1.947 0.020 . 2 . . . A 63 LYS HB3 . 17612 1 768 . 1 1 63 63 LYS HG2 H 1 1.689 0.020 . 2 . . . A 63 LYS HG2 . 17612 1 769 . 1 1 63 63 LYS HG3 H 1 1.470 0.020 . 2 . . . A 63 LYS HG3 . 17612 1 770 . 1 1 63 63 LYS HD2 H 1 1.684 0.020 . 2 . . . A 63 LYS HD2 . 17612 1 771 . 1 1 63 63 LYS HD3 H 1 1.684 0.020 . 2 . . . A 63 LYS HD3 . 17612 1 772 . 1 1 63 63 LYS HE2 H 1 2.973 0.020 . 2 . . . A 63 LYS HE2 . 17612 1 773 . 1 1 63 63 LYS HE3 H 1 2.973 0.020 . 2 . . . A 63 LYS HE3 . 17612 1 774 . 1 1 63 63 LYS C C 13 179.467 0.300 . 1 . . . A 63 LYS C . 17612 1 775 . 1 1 63 63 LYS CA C 13 59.620 0.300 . 1 . . . A 63 LYS CA . 17612 1 776 . 1 1 63 63 LYS CB C 13 32.315 0.300 . 1 . . . A 63 LYS CB . 17612 1 777 . 1 1 63 63 LYS CG C 13 25.095 0.300 . 1 . . . A 63 LYS CG . 17612 1 778 . 1 1 63 63 LYS CD C 13 29.150 0.300 . 1 . . . A 63 LYS CD . 17612 1 779 . 1 1 63 63 LYS CE C 13 42.054 0.300 . 1 . . . A 63 LYS CE . 17612 1 780 . 1 1 63 63 LYS N N 15 116.207 0.300 . 1 . . . A 63 LYS N . 17612 1 781 . 1 1 64 64 VAL H H 1 7.334 0.020 . 1 . . . A 64 VAL H . 17612 1 782 . 1 1 64 64 VAL HA H 1 3.813 0.020 . 1 . . . A 64 VAL HA . 17612 1 783 . 1 1 64 64 VAL HB H 1 2.146 0.020 . 1 . . . A 64 VAL HB . 17612 1 784 . 1 1 64 64 VAL HG11 H 1 0.990 0.020 . 2 . . . A 64 VAL HG1 . 17612 1 785 . 1 1 64 64 VAL HG12 H 1 0.990 0.020 . 2 . . . A 64 VAL HG1 . 17612 1 786 . 1 1 64 64 VAL HG13 H 1 0.990 0.020 . 2 . . . A 64 VAL HG1 . 17612 1 787 . 1 1 64 64 VAL HG21 H 1 0.986 0.020 . 2 . . . A 64 VAL HG2 . 17612 1 788 . 1 1 64 64 VAL HG22 H 1 0.986 0.020 . 2 . . . A 64 VAL HG2 . 17612 1 789 . 1 1 64 64 VAL HG23 H 1 0.986 0.020 . 2 . . . A 64 VAL HG2 . 17612 1 790 . 1 1 64 64 VAL C C 13 179.801 0.300 . 1 . . . A 64 VAL C . 17612 1 791 . 1 1 64 64 VAL CA C 13 66.300 0.300 . 1 . . . A 64 VAL CA . 17612 1 792 . 1 1 64 64 VAL CB C 13 31.846 0.300 . 1 . . . A 64 VAL CB . 17612 1 793 . 1 1 64 64 VAL CG1 C 13 22.894 0.300 . 2 . . . A 64 VAL CG1 . 17612 1 794 . 1 1 64 64 VAL CG2 C 13 22.922 0.300 . 2 . . . A 64 VAL CG2 . 17612 1 795 . 1 1 64 64 VAL N N 15 119.903 0.300 . 1 . . . A 64 VAL N . 17612 1 796 . 1 1 65 65 LEU H H 1 8.232 0.020 . 1 . . . A 65 LEU H . 17612 1 797 . 1 1 65 65 LEU HA H 1 3.913 0.020 . 1 . . . A 65 LEU HA . 17612 1 798 . 1 1 65 65 LEU HB2 H 1 2.047 0.020 . 2 . . . A 65 LEU HB2 . 17612 1 799 . 1 1 65 65 LEU HB3 H 1 1.242 0.020 . 2 . . . A 65 LEU HB3 . 17612 1 800 . 1 1 65 65 LEU HG H 1 0.822 0.020 . 1 . . . A 65 LEU HG . 17612 1 801 . 1 1 65 65 LEU HD11 H 1 1.072 0.020 . 2 . . . A 65 LEU HD1 . 17612 1 802 . 1 1 65 65 LEU HD12 H 1 1.072 0.020 . 2 . . . A 65 LEU HD1 . 17612 1 803 . 1 1 65 65 LEU HD13 H 1 1.072 0.020 . 2 . . . A 65 LEU HD1 . 17612 1 804 . 1 1 65 65 LEU HD21 H 1 0.969 0.020 . 2 . . . A 65 LEU HD2 . 17612 1 805 . 1 1 65 65 LEU HD22 H 1 0.969 0.020 . 2 . . . A 65 LEU HD2 . 17612 1 806 . 1 1 65 65 LEU HD23 H 1 0.969 0.020 . 2 . . . A 65 LEU HD2 . 17612 1 807 . 1 1 65 65 LEU C C 13 178.446 0.300 . 1 . . . A 65 LEU C . 17612 1 808 . 1 1 65 65 LEU CA C 13 58.259 0.300 . 1 . . . A 65 LEU CA . 17612 1 809 . 1 1 65 65 LEU CB C 13 40.681 0.300 . 1 . . . A 65 LEU CB . 17612 1 810 . 1 1 65 65 LEU CG C 13 26.882 0.300 . 1 . . . A 65 LEU CG . 17612 1 811 . 1 1 65 65 LEU CD1 C 13 23.841 0.300 . 2 . . . A 65 LEU CD1 . 17612 1 812 . 1 1 65 65 LEU CD2 C 13 23.399 0.300 . 2 . . . A 65 LEU CD2 . 17612 1 813 . 1 1 65 65 LEU N N 15 120.633 0.300 . 1 . . . A 65 LEU N . 17612 1 814 . 1 1 66 66 HIS H H 1 8.711 0.020 . 1 . . . A 66 HIS H . 17612 1 815 . 1 1 66 66 HIS HA H 1 4.319 0.020 . 1 . . . A 66 HIS HA . 17612 1 816 . 1 1 66 66 HIS HB2 H 1 3.473 0.020 . 2 . . . A 66 HIS HB2 . 17612 1 817 . 1 1 66 66 HIS HB3 H 1 3.119 0.020 . 2 . . . A 66 HIS HB3 . 17612 1 818 . 1 1 66 66 HIS HD2 H 1 7.020 0.020 . 1 . . . A 66 HIS HD2 . 17612 1 819 . 1 1 66 66 HIS C C 13 177.611 0.300 . 1 . . . A 66 HIS C . 17612 1 820 . 1 1 66 66 HIS CA C 13 59.620 0.300 . 1 . . . A 66 HIS CA . 17612 1 821 . 1 1 66 66 HIS CB C 13 30.890 0.300 . 1 . . . A 66 HIS CB . 17612 1 822 . 1 1 66 66 HIS CD2 C 13 118.705 0.300 . 1 . . . A 66 HIS CD2 . 17612 1 823 . 1 1 66 66 HIS N N 15 120.041 0.300 . 1 . . . A 66 HIS N . 17612 1 824 . 1 1 67 67 THR H H 1 7.944 0.020 . 1 . . . A 67 THR H . 17612 1 825 . 1 1 67 67 THR HA H 1 4.070 0.020 . 1 . . . A 67 THR HA . 17612 1 826 . 1 1 67 67 THR HB H 1 4.469 0.020 . 1 . . . A 67 THR HB . 17612 1 827 . 1 1 67 67 THR HG21 H 1 1.382 0.020 . 1 . . . A 67 THR HG2 . 17612 1 828 . 1 1 67 67 THR HG22 H 1 1.382 0.020 . 1 . . . A 67 THR HG2 . 17612 1 829 . 1 1 67 67 THR HG23 H 1 1.382 0.020 . 1 . . . A 67 THR HG2 . 17612 1 830 . 1 1 67 67 THR C C 13 177.497 0.300 . 1 . . . A 67 THR C . 17612 1 831 . 1 1 67 67 THR CA C 13 66.300 0.300 . 1 . . . A 67 THR CA . 17612 1 832 . 1 1 67 67 THR CB C 13 68.644 0.300 . 1 . . . A 67 THR CB . 17612 1 833 . 1 1 67 67 THR CG2 C 13 22.072 0.300 . 1 . . . A 67 THR CG2 . 17612 1 834 . 1 1 67 67 THR N N 15 113.383 0.300 . 1 . . . A 67 THR N . 17612 1 835 . 1 1 68 68 ILE H H 1 7.916 0.020 . 1 . . . A 68 ILE H . 17612 1 836 . 1 1 68 68 ILE HA H 1 3.606 0.020 . 1 . . . A 68 ILE HA . 17612 1 837 . 1 1 68 68 ILE HB H 1 2.163 0.020 . 1 . . . A 68 ILE HB . 17612 1 838 . 1 1 68 68 ILE HG21 H 1 0.939 0.020 . 1 . . . A 68 ILE HG2 . 17612 1 839 . 1 1 68 68 ILE HG22 H 1 0.939 0.020 . 1 . . . A 68 ILE HG2 . 17612 1 840 . 1 1 68 68 ILE HG23 H 1 0.939 0.020 . 1 . . . A 68 ILE HG2 . 17612 1 841 . 1 1 68 68 ILE HG12 H 1 2.065 0.020 . 2 . . . A 68 ILE HG12 . 17612 1 842 . 1 1 68 68 ILE HG13 H 1 1.895 0.020 . 2 . . . A 68 ILE HG13 . 17612 1 843 . 1 1 68 68 ILE HD11 H 1 0.834 0.020 . 1 . . . A 68 ILE HD1 . 17612 1 844 . 1 1 68 68 ILE HD12 H 1 0.834 0.020 . 1 . . . A 68 ILE HD1 . 17612 1 845 . 1 1 68 68 ILE HD13 H 1 0.834 0.020 . 1 . . . A 68 ILE HD1 . 17612 1 846 . 1 1 68 68 ILE C C 13 177.203 0.300 . 1 . . . A 68 ILE C . 17612 1 847 . 1 1 68 68 ILE CA C 13 66.417 0.300 . 1 . . . A 68 ILE CA . 17612 1 848 . 1 1 68 68 ILE CB C 13 37.651 0.300 . 1 . . . A 68 ILE CB . 17612 1 849 . 1 1 68 68 ILE CG1 C 13 29.814 0.300 . 1 . . . A 68 ILE CG1 . 17612 1 850 . 1 1 68 68 ILE CG2 C 13 17.985 0.300 . 1 . . . A 68 ILE CG2 . 17612 1 851 . 1 1 68 68 ILE CD1 C 13 13.887 0.300 . 1 . . . A 68 ILE CD1 . 17612 1 852 . 1 1 68 68 ILE N N 15 122.196 0.300 . 1 . . . A 68 ILE N . 17612 1 853 . 1 1 69 69 MET H H 1 8.401 0.020 . 1 . . . A 69 MET H . 17612 1 854 . 1 1 69 69 MET HA H 1 3.689 0.020 . 1 . . . A 69 MET HA . 17612 1 855 . 1 1 69 69 MET HB2 H 1 2.183 0.020 . 1 . . . A 69 MET HB2 . 17612 1 856 . 1 1 69 69 MET HB3 H 1 2.304 0.020 . 1 . . . A 69 MET HB3 . 17612 1 857 . 1 1 69 69 MET HG2 H 1 2.034 0.020 . 1 . . . A 69 MET HG2 . 17612 1 858 . 1 1 69 69 MET HG3 H 1 2.372 0.020 . 1 . . . A 69 MET HG3 . 17612 1 859 . 1 1 69 69 MET HE1 H 1 1.809 0.020 . 1 . . . A 69 MET HE . 17612 1 860 . 1 1 69 69 MET HE2 H 1 1.809 0.020 . 1 . . . A 69 MET HE . 17612 1 861 . 1 1 69 69 MET HE3 H 1 1.809 0.020 . 1 . . . A 69 MET HE . 17612 1 862 . 1 1 69 69 MET C C 13 177.314 0.300 . 1 . . . A 69 MET C . 17612 1 863 . 1 1 69 69 MET CA C 13 60.441 0.300 . 1 . . . A 69 MET CA . 17612 1 864 . 1 1 69 69 MET CB C 13 33.116 0.300 . 1 . . . A 69 MET CB . 17612 1 865 . 1 1 69 69 MET CG C 13 31.952 0.300 . 1 . . . A 69 MET CG . 17612 1 866 . 1 1 69 69 MET CE C 13 16.192 0.300 . 1 . . . A 69 MET CE . 17612 1 867 . 1 1 69 69 MET N N 15 119.236 0.300 . 1 . . . A 69 MET N . 17612 1 868 . 1 1 70 70 ASN H H 1 8.216 0.020 . 1 . . . A 70 ASN H . 17612 1 869 . 1 1 70 70 ASN HA H 1 4.502 0.020 . 1 . . . A 70 ASN HA . 17612 1 870 . 1 1 70 70 ASN HB2 H 1 2.760 0.020 . 2 . . . A 70 ASN HB2 . 17612 1 871 . 1 1 70 70 ASN HB3 H 1 2.760 0.020 . 2 . . . A 70 ASN HB3 . 17612 1 872 . 1 1 70 70 ASN HD21 H 1 7.519 0.020 . 2 . . . A 70 ASN HD21 . 17612 1 873 . 1 1 70 70 ASN HD22 H 1 6.419 0.020 . 2 . . . A 70 ASN HD22 . 17612 1 874 . 1 1 70 70 ASN C C 13 177.463 0.300 . 1 . . . A 70 ASN C . 17612 1 875 . 1 1 70 70 ASN CA C 13 56.222 0.300 . 1 . . . A 70 ASN CA . 17612 1 876 . 1 1 70 70 ASN CB C 13 38.253 0.300 . 1 . . . A 70 ASN CB . 17612 1 877 . 1 1 70 70 ASN N N 15 116.217 0.300 . 1 . . . A 70 ASN N . 17612 1 878 . 1 1 70 70 ASN ND2 N 15 110.665 0.300 . 1 . . . A 70 ASN ND2 . 17612 1 879 . 1 1 71 71 LEU H H 1 7.623 0.020 . 1 . . . A 71 LEU H . 17612 1 880 . 1 1 71 71 LEU HA H 1 4.046 0.020 . 1 . . . A 71 LEU HA . 17612 1 881 . 1 1 71 71 LEU HB2 H 1 1.532 0.020 . 1 . . . A 71 LEU HB2 . 17612 1 882 . 1 1 71 71 LEU HB3 H 1 1.881 0.020 . 1 . . . A 71 LEU HB3 . 17612 1 883 . 1 1 71 71 LEU HG H 1 1.721 0.020 . 1 . . . A 71 LEU HG . 17612 1 884 . 1 1 71 71 LEU HD21 H 1 0.819 0.020 . 2 . . . A 71 LEU HD2 . 17612 1 885 . 1 1 71 71 LEU HD22 H 1 0.819 0.020 . 2 . . . A 71 LEU HD2 . 17612 1 886 . 1 1 71 71 LEU HD23 H 1 0.819 0.020 . 2 . . . A 71 LEU HD2 . 17612 1 887 . 1 1 71 71 LEU C C 13 178.205 0.300 . 1 . . . A 71 LEU C . 17612 1 888 . 1 1 71 71 LEU CA C 13 57.980 0.300 . 1 . . . A 71 LEU CA . 17612 1 889 . 1 1 71 71 LEU CB C 13 42.276 0.300 . 1 . . . A 71 LEU CB . 17612 1 890 . 1 1 71 71 LEU CG C 13 26.500 0.300 . 1 . . . A 71 LEU CG . 17612 1 891 . 1 1 71 71 LEU CD2 C 13 24.173 0.300 . 1 . . . A 71 LEU CD2 . 17612 1 892 . 1 1 71 71 LEU N N 15 120.531 0.300 . 1 . . . A 71 LEU N . 17612 1 893 . 1 1 72 72 VAL H H 1 8.534 0.020 . 1 . . . A 72 VAL H . 17612 1 894 . 1 1 72 72 VAL HA H 1 3.623 0.020 . 1 . . . A 72 VAL HA . 17612 1 895 . 1 1 72 72 VAL HB H 1 2.314 0.020 . 1 . . . A 72 VAL HB . 17612 1 896 . 1 1 72 72 VAL HG11 H 1 1.339 0.020 . 2 . . . A 72 VAL HG1 . 17612 1 897 . 1 1 72 72 VAL HG12 H 1 1.339 0.020 . 2 . . . A 72 VAL HG1 . 17612 1 898 . 1 1 72 72 VAL HG13 H 1 1.339 0.020 . 2 . . . A 72 VAL HG1 . 17612 1 899 . 1 1 72 72 VAL HG21 H 1 1.215 0.020 . 2 . . . A 72 VAL HG2 . 17612 1 900 . 1 1 72 72 VAL HG22 H 1 1.215 0.020 . 2 . . . A 72 VAL HG2 . 17612 1 901 . 1 1 72 72 VAL HG23 H 1 1.215 0.020 . 2 . . . A 72 VAL HG2 . 17612 1 902 . 1 1 72 72 VAL C C 13 177.889 0.300 . 1 . . . A 72 VAL C . 17612 1 903 . 1 1 72 72 VAL CA C 13 66.300 0.300 . 1 . . . A 72 VAL CA . 17612 1 904 . 1 1 72 72 VAL CB C 13 31.733 0.300 . 1 . . . A 72 VAL CB . 17612 1 905 . 1 1 72 72 VAL CG1 C 13 23.457 0.300 . 1 . . . A 72 VAL CG1 . 17612 1 906 . 1 1 72 72 VAL CG2 C 13 22.735 0.300 . 1 . . . A 72 VAL CG2 . 17612 1 907 . 1 1 72 72 VAL N N 15 118.362 0.300 . 1 . . . A 72 VAL N . 17612 1 908 . 1 1 73 73 ASP H H 1 8.889 0.020 . 1 . . . A 73 ASP H . 17612 1 909 . 1 1 73 73 ASP HA H 1 4.228 0.020 . 1 . . . A 73 ASP HA . 17612 1 910 . 1 1 73 73 ASP HB2 H 1 2.934 0.020 . 2 . . . A 73 ASP HB2 . 17612 1 911 . 1 1 73 73 ASP HB3 H 1 2.743 0.020 . 2 . . . A 73 ASP HB3 . 17612 1 912 . 1 1 73 73 ASP C C 13 178.520 0.300 . 1 . . . A 73 ASP C . 17612 1 913 . 1 1 73 73 ASP CA C 13 57.980 0.300 . 1 . . . A 73 ASP CA . 17612 1 914 . 1 1 73 73 ASP CB C 13 41.761 0.300 . 1 . . . A 73 ASP CB . 17612 1 915 . 1 1 73 73 ASP N N 15 120.519 0.300 . 1 . . . A 73 ASP N . 17612 1 916 . 1 1 74 74 LYS H H 1 7.492 0.020 . 1 . . . A 74 LYS H . 17612 1 917 . 1 1 74 74 LYS HA H 1 4.012 0.020 . 1 . . . A 74 LYS HA . 17612 1 918 . 1 1 74 74 LYS HB2 H 1 2.065 0.020 . 2 . . . A 74 LYS HB2 . 17612 1 919 . 1 1 74 74 LYS HB3 H 1 1.557 0.020 . 2 . . . A 74 LYS HB3 . 17612 1 920 . 1 1 74 74 LYS HG2 H 1 1.617 0.020 . 2 . . . A 74 LYS HG2 . 17612 1 921 . 1 1 74 74 LYS HG3 H 1 1.617 0.020 . 2 . . . A 74 LYS HG3 . 17612 1 922 . 1 1 74 74 LYS HD2 H 1 1.698 0.020 . 2 . . . A 74 LYS HD2 . 17612 1 923 . 1 1 74 74 LYS HD3 H 1 1.698 0.020 . 2 . . . A 74 LYS HD3 . 17612 1 924 . 1 1 74 74 LYS HE2 H 1 2.932 0.020 . 2 . . . A 74 LYS HE2 . 17612 1 925 . 1 1 74 74 LYS HE3 H 1 2.932 0.020 . 2 . . . A 74 LYS HE3 . 17612 1 926 . 1 1 74 74 LYS C C 13 179.430 0.300 . 1 . . . A 74 LYS C . 17612 1 927 . 1 1 74 74 LYS CA C 13 59.546 0.300 . 1 . . . A 74 LYS CA . 17612 1 928 . 1 1 74 74 LYS CB C 13 32.558 0.300 . 1 . . . A 74 LYS CB . 17612 1 929 . 1 1 74 74 LYS CG C 13 25.537 0.300 . 1 . . . A 74 LYS CG . 17612 1 930 . 1 1 74 74 LYS CD C 13 29.202 0.300 . 1 . . . A 74 LYS CD . 17612 1 931 . 1 1 74 74 LYS CE C 13 41.912 0.300 . 1 . . . A 74 LYS CE . 17612 1 932 . 1 1 74 74 LYS N N 15 116.878 0.300 . 1 . . . A 74 LYS N . 17612 1 933 . 1 1 75 75 MET H H 1 7.677 0.020 . 1 . . . A 75 MET H . 17612 1 934 . 1 1 75 75 MET HA H 1 3.834 0.020 . 1 . . . A 75 MET HA . 17612 1 935 . 1 1 75 75 MET HB2 H 1 2.336 0.020 . 2 . . . A 75 MET HB2 . 17612 1 936 . 1 1 75 75 MET HB3 H 1 1.885 0.020 . 2 . . . A 75 MET HB3 . 17612 1 937 . 1 1 75 75 MET HG2 H 1 2.301 0.020 . 2 . . . A 75 MET HG2 . 17612 1 938 . 1 1 75 75 MET HG3 H 1 1.745 0.020 . 2 . . . A 75 MET HG3 . 17612 1 939 . 1 1 75 75 MET HE1 H 1 1.140 0.020 . 1 . . . A 75 MET HE . 17612 1 940 . 1 1 75 75 MET HE2 H 1 1.140 0.020 . 1 . . . A 75 MET HE . 17612 1 941 . 1 1 75 75 MET HE3 H 1 1.140 0.020 . 1 . . . A 75 MET HE . 17612 1 942 . 1 1 75 75 MET C C 13 179.448 0.300 . 1 . . . A 75 MET C . 17612 1 943 . 1 1 75 75 MET CA C 13 59.142 0.300 . 1 . . . A 75 MET CA . 17612 1 944 . 1 1 75 75 MET CB C 13 32.283 0.300 . 1 . . . A 75 MET CB . 17612 1 945 . 1 1 75 75 MET CG C 13 32.098 0.300 . 1 . . . A 75 MET CG . 17612 1 946 . 1 1 75 75 MET CE C 13 16.836 0.300 . 1 . . . A 75 MET CE . 17612 1 947 . 1 1 75 75 MET N N 15 119.582 0.300 . 1 . . . A 75 MET N . 17612 1 948 . 1 1 76 76 LEU H H 1 8.546 0.020 . 1 . . . A 76 LEU H . 17612 1 949 . 1 1 76 76 LEU HA H 1 4.021 0.020 . 1 . . . A 76 LEU HA . 17612 1 950 . 1 1 76 76 LEU HB2 H 1 1.863 0.020 . 2 . . . A 76 LEU HB2 . 17612 1 951 . 1 1 76 76 LEU HB3 H 1 1.300 0.020 . 2 . . . A 76 LEU HB3 . 17612 1 952 . 1 1 76 76 LEU HG H 1 1.923 0.020 . 1 . . . A 76 LEU HG . 17612 1 953 . 1 1 76 76 LEU HD11 H 1 0.816 0.020 . 2 . . . A 76 LEU HD1 . 17612 1 954 . 1 1 76 76 LEU HD12 H 1 0.816 0.020 . 2 . . . A 76 LEU HD1 . 17612 1 955 . 1 1 76 76 LEU HD13 H 1 0.816 0.020 . 2 . . . A 76 LEU HD1 . 17612 1 956 . 1 1 76 76 LEU HD21 H 1 0.816 0.020 . 2 . . . A 76 LEU HD2 . 17612 1 957 . 1 1 76 76 LEU HD22 H 1 0.816 0.020 . 2 . . . A 76 LEU HD2 . 17612 1 958 . 1 1 76 76 LEU HD23 H 1 0.816 0.020 . 2 . . . A 76 LEU HD2 . 17612 1 959 . 1 1 76 76 LEU C C 13 178.610 0.300 . 1 . . . A 76 LEU C . 17612 1 960 . 1 1 76 76 LEU CA C 13 57.394 0.300 . 1 . . . A 76 LEU CA . 17612 1 961 . 1 1 76 76 LEU CB C 13 41.802 0.300 . 1 . . . A 76 LEU CB . 17612 1 962 . 1 1 76 76 LEU CG C 13 26.904 0.300 . 1 . . . A 76 LEU CG . 17612 1 963 . 1 1 76 76 LEU CD1 C 13 23.399 0.300 . 2 . . . A 76 LEU CD1 . 17612 1 964 . 1 1 76 76 LEU N N 15 119.905 0.300 . 1 . . . A 76 LEU N . 17612 1 965 . 1 1 77 77 ASN H H 1 7.691 0.020 . 1 . . . A 77 ASN H . 17612 1 966 . 1 1 77 77 ASN HA H 1 4.800 0.020 . 1 . . . A 77 ASN HA . 17612 1 967 . 1 1 77 77 ASN HB2 H 1 2.909 0.020 . 2 . . . A 77 ASN HB2 . 17612 1 968 . 1 1 77 77 ASN HB3 H 1 2.619 0.020 . 2 . . . A 77 ASN HB3 . 17612 1 969 . 1 1 77 77 ASN HD21 H 1 7.506 0.020 . 2 . . . A 77 ASN HD21 . 17612 1 970 . 1 1 77 77 ASN HD22 H 1 6.671 0.020 . 2 . . . A 77 ASN HD22 . 17612 1 971 . 1 1 77 77 ASN C C 13 174.391 0.300 . 1 . . . A 77 ASN C . 17612 1 972 . 1 1 77 77 ASN CA C 13 53.175 0.300 . 1 . . . A 77 ASN CA . 17612 1 973 . 1 1 77 77 ASN CB C 13 39.103 0.300 . 1 . . . A 77 ASN CB . 17612 1 974 . 1 1 77 77 ASN N N 15 114.977 0.300 . 1 . . . A 77 ASN N . 17612 1 975 . 1 1 77 77 ASN ND2 N 15 115.063 0.300 . 1 . . . A 77 ASN ND2 . 17612 1 976 . 1 1 78 78 SER H H 1 7.793 0.020 . 1 . . . A 78 SER H . 17612 1 977 . 1 1 78 78 SER HA H 1 4.344 0.020 . 1 . . . A 78 SER HA . 17612 1 978 . 1 1 78 78 SER HB2 H 1 4.054 0.020 . 2 . . . A 78 SER HB2 . 17612 1 979 . 1 1 78 78 SER HB3 H 1 4.054 0.020 . 2 . . . A 78 SER HB3 . 17612 1 980 . 1 1 78 78 SER C C 13 174.157 0.300 . 1 . . . A 78 SER C . 17612 1 981 . 1 1 78 78 SER CA C 13 59.269 0.300 . 1 . . . A 78 SER CA . 17612 1 982 . 1 1 78 78 SER CB C 13 61.455 0.300 . 1 . . . A 78 SER CB . 17612 1 983 . 1 1 78 78 SER N N 15 111.535 0.300 . 1 . . . A 78 SER N . 17612 1 984 . 1 1 79 79 GLU H H 1 8.505 0.020 . 1 . . . A 79 GLU H . 17612 1 985 . 1 1 79 79 GLU HA H 1 4.187 0.020 . 1 . . . A 79 GLU HA . 17612 1 986 . 1 1 79 79 GLU HB2 H 1 2.080 0.020 . 2 . . . A 79 GLU HB2 . 17612 1 987 . 1 1 79 79 GLU HB3 H 1 1.839 0.020 . 2 . . . A 79 GLU HB3 . 17612 1 988 . 1 1 79 79 GLU HG2 H 1 2.203 0.020 . 2 . . . A 79 GLU HG2 . 17612 1 989 . 1 1 79 79 GLU HG3 H 1 2.165 0.020 . 2 . . . A 79 GLU HG3 . 17612 1 990 . 1 1 79 79 GLU C C 13 176.201 0.300 . 1 . . . A 79 GLU C . 17612 1 991 . 1 1 79 79 GLU CA C 13 57.033 0.300 . 1 . . . A 79 GLU CA . 17612 1 992 . 1 1 79 79 GLU CB C 13 30.729 0.300 . 1 . . . A 79 GLU CB . 17612 1 993 . 1 1 79 79 GLU CG C 13 36.966 0.300 . 1 . . . A 79 GLU CG . 17612 1 994 . 1 1 79 79 GLU N N 15 117.835 0.300 . 1 . . . A 79 GLU N . 17612 1 995 . 1 1 80 80 ILE H H 1 7.139 0.020 . 1 . . . A 80 ILE H . 17612 1 996 . 1 1 80 80 ILE HA H 1 4.352 0.020 . 1 . . . A 80 ILE HA . 17612 1 997 . 1 1 80 80 ILE HB H 1 1.615 0.020 . 1 . . . A 80 ILE HB . 17612 1 998 . 1 1 80 80 ILE HG21 H 1 0.673 0.020 . 1 . . . A 80 ILE HG2 . 17612 1 999 . 1 1 80 80 ILE HG22 H 1 0.673 0.020 . 1 . . . A 80 ILE HG2 . 17612 1 1000 . 1 1 80 80 ILE HG23 H 1 0.673 0.020 . 1 . . . A 80 ILE HG2 . 17612 1 1001 . 1 1 80 80 ILE HG12 H 1 1.242 0.020 . 2 . . . A 80 ILE HG12 . 17612 1 1002 . 1 1 80 80 ILE HG13 H 1 0.870 0.020 . 2 . . . A 80 ILE HG13 . 17612 1 1003 . 1 1 80 80 ILE HD11 H 1 0.762 0.020 . 1 . . . A 80 ILE HD1 . 17612 1 1004 . 1 1 80 80 ILE HD12 H 1 0.762 0.020 . 1 . . . A 80 ILE HD1 . 17612 1 1005 . 1 1 80 80 ILE HD13 H 1 0.762 0.020 . 1 . . . A 80 ILE HD1 . 17612 1 1006 . 1 1 80 80 ILE C C 13 173.696 0.300 . 1 . . . A 80 ILE C . 17612 1 1007 . 1 1 80 80 ILE CA C 13 59.016 0.300 . 1 . . . A 80 ILE CA . 17612 1 1008 . 1 1 80 80 ILE CB C 13 41.032 0.300 . 1 . . . A 80 ILE CB . 17612 1 1009 . 1 1 80 80 ILE CG1 C 13 26.085 0.300 . 1 . . . A 80 ILE CG1 . 17612 1 1010 . 1 1 80 80 ILE CG2 C 13 17.229 0.300 . 1 . . . A 80 ILE CG2 . 17612 1 1011 . 1 1 80 80 ILE CD1 C 13 13.887 0.300 . 1 . . . A 80 ILE CD1 . 17612 1 1012 . 1 1 80 80 ILE N N 15 114.369 0.300 . 1 . . . A 80 ILE N . 17612 1 1013 . 1 1 81 81 LYS H H 1 8.192 0.020 . 1 . . . A 81 LYS H . 17612 1 1014 . 1 1 81 81 LYS HA H 1 4.211 0.020 . 1 . . . A 81 LYS HA . 17612 1 1015 . 1 1 81 81 LYS HB2 H 1 1.673 0.020 . 2 . . . A 81 LYS HB2 . 17612 1 1016 . 1 1 81 81 LYS HB3 H 1 1.673 0.020 . 2 . . . A 81 LYS HB3 . 17612 1 1017 . 1 1 81 81 LYS HG2 H 1 1.420 0.020 . 2 . . . A 81 LYS HG2 . 17612 1 1018 . 1 1 81 81 LYS HG3 H 1 1.331 0.020 . 2 . . . A 81 LYS HG3 . 17612 1 1019 . 1 1 81 81 LYS HD2 H 1 1.630 0.020 . 2 . . . A 81 LYS HD2 . 17612 1 1020 . 1 1 81 81 LYS HD3 H 1 1.630 0.020 . 2 . . . A 81 LYS HD3 . 17612 1 1021 . 1 1 81 81 LYS HE2 H 1 2.971 0.020 . 2 . . . A 81 LYS HE2 . 17612 1 1022 . 1 1 81 81 LYS HE3 H 1 2.971 0.020 . 2 . . . A 81 LYS HE3 . 17612 1 1023 . 1 1 81 81 LYS C C 13 175.997 0.300 . 1 . . . A 81 LYS C . 17612 1 1024 . 1 1 81 81 LYS CA C 13 55.392 0.300 . 1 . . . A 81 LYS CA . 17612 1 1025 . 1 1 81 81 LYS CB C 13 32.649 0.300 . 1 . . . A 81 LYS CB . 17612 1 1026 . 1 1 81 81 LYS CG C 13 24.652 0.300 . 1 . . . A 81 LYS CG . 17612 1 1027 . 1 1 81 81 LYS CD C 13 28.855 0.300 . 1 . . . A 81 LYS CD . 17612 1 1028 . 1 1 81 81 LYS CE C 13 42.214 0.300 . 1 . . . A 81 LYS CE . 17612 1 1029 . 1 1 81 81 LYS N N 15 124.675 0.300 . 1 . . . A 81 LYS N . 17612 1 1030 . 1 1 82 82 ILE H H 1 8.775 0.020 . 1 . . . A 82 ILE H . 17612 1 1031 . 1 1 82 82 ILE HA H 1 3.743 0.020 . 1 . . . A 82 ILE HA . 17612 1 1032 . 1 1 82 82 ILE HB H 1 1.779 0.020 . 1 . . . A 82 ILE HB . 17612 1 1033 . 1 1 82 82 ILE HG21 H 1 0.962 0.020 . 1 . . . A 82 ILE HG2 . 17612 1 1034 . 1 1 82 82 ILE HG22 H 1 0.962 0.020 . 1 . . . A 82 ILE HG2 . 17612 1 1035 . 1 1 82 82 ILE HG23 H 1 0.962 0.020 . 1 . . . A 82 ILE HG2 . 17612 1 1036 . 1 1 82 82 ILE HG12 H 1 1.647 0.020 . 2 . . . A 82 ILE HG12 . 17612 1 1037 . 1 1 82 82 ILE HG13 H 1 0.725 0.020 . 2 . . . A 82 ILE HG13 . 17612 1 1038 . 1 1 82 82 ILE HD11 H 1 0.736 0.020 . 1 . . . A 82 ILE HD1 . 17612 1 1039 . 1 1 82 82 ILE HD12 H 1 0.736 0.020 . 1 . . . A 82 ILE HD1 . 17612 1 1040 . 1 1 82 82 ILE HD13 H 1 0.736 0.020 . 1 . . . A 82 ILE HD1 . 17612 1 1041 . 1 1 82 82 ILE C C 13 175.570 0.300 . 1 . . . A 82 ILE C . 17612 1 1042 . 1 1 82 82 ILE CA C 13 63.253 0.300 . 1 . . . A 82 ILE CA . 17612 1 1043 . 1 1 82 82 ILE CB C 13 37.165 0.300 . 1 . . . A 82 ILE CB . 17612 1 1044 . 1 1 82 82 ILE CG1 C 13 27.749 0.300 . 1 . . . A 82 ILE CG1 . 17612 1 1045 . 1 1 82 82 ILE CG2 C 13 18.196 0.300 . 1 . . . A 82 ILE CG2 . 17612 1 1046 . 1 1 82 82 ILE CD1 C 13 13.734 0.300 . 1 . . . A 82 ILE CD1 . 17612 1 1047 . 1 1 82 82 ILE N N 15 124.676 0.300 . 1 . . . A 82 ILE N . 17612 1 1048 . 1 1 83 83 THR H H 1 6.852 0.020 . 1 . . . A 83 THR H . 17612 1 1049 . 1 1 83 83 THR HA H 1 4.749 0.020 . 1 . . . A 83 THR HA . 17612 1 1050 . 1 1 83 83 THR HB H 1 4.628 0.020 . 1 . . . A 83 THR HB . 17612 1 1051 . 1 1 83 83 THR HG21 H 1 1.170 0.020 . 1 . . . A 83 THR HG2 . 17612 1 1052 . 1 1 83 83 THR HG22 H 1 1.170 0.020 . 1 . . . A 83 THR HG2 . 17612 1 1053 . 1 1 83 83 THR HG23 H 1 1.170 0.020 . 1 . . . A 83 THR HG2 . 17612 1 1054 . 1 1 83 83 THR CA C 13 59.269 0.300 . 1 . . . A 83 THR CA . 17612 1 1055 . 1 1 83 83 THR CB C 13 72.277 0.300 . 1 . . . A 83 THR CB . 17612 1 1056 . 1 1 83 83 THR CG2 C 13 21.663 0.300 . 1 . . . A 83 THR CG2 . 17612 1 1057 . 1 1 83 83 THR N N 15 116.218 0.300 . 1 . . . A 83 THR N . 17612 1 1058 . 1 1 85 85 ASP HA H 1 4.435 0.020 . 1 . . . A 85 ASP HA . 17612 1 1059 . 1 1 85 85 ASP HB2 H 1 2.611 0.020 . 2 . . . A 85 ASP HB2 . 17612 1 1060 . 1 1 85 85 ASP HB3 H 1 2.611 0.020 . 2 . . . A 85 ASP HB3 . 17612 1 1061 . 1 1 85 85 ASP C C 13 178.141 0.300 . 1 . . . A 85 ASP C . 17612 1 1062 . 1 1 85 85 ASP CA C 13 56.887 0.300 . 1 . . . A 85 ASP CA . 17612 1 1063 . 1 1 85 85 ASP CB C 13 40.686 0.300 . 1 . . . A 85 ASP CB . 17612 1 1064 . 1 1 86 86 LEU H H 1 7.615 0.020 . 1 . . . A 86 LEU H . 17612 1 1065 . 1 1 86 86 LEU HA H 1 4.135 0.020 . 1 . . . A 86 LEU HA . 17612 1 1066 . 1 1 86 86 LEU HB2 H 1 1.815 0.020 . 2 . . . A 86 LEU HB2 . 17612 1 1067 . 1 1 86 86 LEU HB3 H 1 1.726 0.020 . 2 . . . A 86 LEU HB3 . 17612 1 1068 . 1 1 86 86 LEU HG H 1 1.647 0.020 . 1 . . . A 86 LEU HG . 17612 1 1069 . 1 1 86 86 LEU HD11 H 1 0.950 0.020 . 2 . . . A 86 LEU HD1 . 17612 1 1070 . 1 1 86 86 LEU HD12 H 1 0.950 0.020 . 2 . . . A 86 LEU HD1 . 17612 1 1071 . 1 1 86 86 LEU HD13 H 1 0.950 0.020 . 2 . . . A 86 LEU HD1 . 17612 1 1072 . 1 1 86 86 LEU HD21 H 1 0.813 0.020 . 2 . . . A 86 LEU HD2 . 17612 1 1073 . 1 1 86 86 LEU HD22 H 1 0.813 0.020 . 2 . . . A 86 LEU HD2 . 17612 1 1074 . 1 1 86 86 LEU HD23 H 1 0.813 0.020 . 2 . . . A 86 LEU HD2 . 17612 1 1075 . 1 1 86 86 LEU C C 13 178.711 0.300 . 1 . . . A 86 LEU C . 17612 1 1076 . 1 1 86 86 LEU CA C 13 57.556 0.300 . 1 . . . A 86 LEU CA . 17612 1 1077 . 1 1 86 86 LEU CB C 13 41.798 0.300 . 1 . . . A 86 LEU CB . 17612 1 1078 . 1 1 86 86 LEU CG C 13 27.096 0.300 . 1 . . . A 86 LEU CG . 17612 1 1079 . 1 1 86 86 LEU CD1 C 13 25.352 0.300 . 2 . . . A 86 LEU CD1 . 17612 1 1080 . 1 1 86 86 LEU CD2 C 13 25.352 0.300 . 2 . . . A 86 LEU CD2 . 17612 1 1081 . 1 1 86 86 LEU N N 15 121.469 0.300 . 1 . . . A 86 LEU N . 17612 1 1082 . 1 1 87 87 ILE H H 1 7.795 0.020 . 1 . . . A 87 ILE H . 17612 1 1083 . 1 1 87 87 ILE HA H 1 3.567 0.020 . 1 . . . A 87 ILE HA . 17612 1 1084 . 1 1 87 87 ILE HB H 1 2.096 0.020 . 1 . . . A 87 ILE HB . 17612 1 1085 . 1 1 87 87 ILE HG21 H 1 0.950 0.020 . 1 . . . A 87 ILE HG2 . 17612 1 1086 . 1 1 87 87 ILE HG22 H 1 0.950 0.020 . 1 . . . A 87 ILE HG2 . 17612 1 1087 . 1 1 87 87 ILE HG23 H 1 0.950 0.020 . 1 . . . A 87 ILE HG2 . 17612 1 1088 . 1 1 87 87 ILE HG12 H 1 2.036 0.020 . 2 . . . A 87 ILE HG12 . 17612 1 1089 . 1 1 87 87 ILE HG13 H 1 2.036 0.020 . 2 . . . A 87 ILE HG13 . 17612 1 1090 . 1 1 87 87 ILE HD11 H 1 0.979 0.020 . 1 . . . A 87 ILE HD1 . 17612 1 1091 . 1 1 87 87 ILE HD12 H 1 0.979 0.020 . 1 . . . A 87 ILE HD1 . 17612 1 1092 . 1 1 87 87 ILE HD13 H 1 0.979 0.020 . 1 . . . A 87 ILE HD1 . 17612 1 1093 . 1 1 87 87 ILE C C 13 177.853 0.300 . 1 . . . A 87 ILE C . 17612 1 1094 . 1 1 87 87 ILE CA C 13 66.652 0.300 . 1 . . . A 87 ILE CA . 17612 1 1095 . 1 1 87 87 ILE CB C 13 37.399 0.300 . 1 . . . A 87 ILE CB . 17612 1 1096 . 1 1 87 87 ILE CG1 C 13 29.814 0.300 . 1 . . . A 87 ILE CG1 . 17612 1 1097 . 1 1 87 87 ILE CG2 C 13 17.743 0.300 . 1 . . . A 87 ILE CG2 . 17612 1 1098 . 1 1 87 87 ILE CD1 C 13 13.757 0.300 . 1 . . . A 87 ILE CD1 . 17612 1 1099 . 1 1 87 87 ILE N N 15 118.953 0.300 . 1 . . . A 87 ILE N . 17612 1 1100 . 1 1 88 88 ASP H H 1 8.182 0.020 . 1 . . . A 88 ASP H . 17612 1 1101 . 1 1 88 88 ASP HA H 1 4.377 0.020 . 1 . . . A 88 ASP HA . 17612 1 1102 . 1 1 88 88 ASP HB2 H 1 2.818 0.020 . 2 . . . A 88 ASP HB2 . 17612 1 1103 . 1 1 88 88 ASP HB3 H 1 2.702 0.020 . 2 . . . A 88 ASP HB3 . 17612 1 1104 . 1 1 88 88 ASP C C 13 178.297 0.300 . 1 . . . A 88 ASP C . 17612 1 1105 . 1 1 88 88 ASP CA C 13 57.862 0.300 . 1 . . . A 88 ASP CA . 17612 1 1106 . 1 1 88 88 ASP CB C 13 40.915 0.300 . 1 . . . A 88 ASP CB . 17612 1 1107 . 1 1 88 88 ASP N N 15 118.991 0.300 . 1 . . . A 88 ASP N . 17612 1 1108 . 1 1 89 89 LYS H H 1 7.855 0.020 . 1 . . . A 89 LYS H . 17612 1 1109 . 1 1 89 89 LYS HA H 1 4.012 0.020 . 1 . . . A 89 LYS HA . 17612 1 1110 . 1 1 89 89 LYS HB2 H 1 2.088 0.020 . 2 . . . A 89 LYS HB2 . 17612 1 1111 . 1 1 89 89 LYS HB3 H 1 1.889 0.020 . 2 . . . A 89 LYS HB3 . 17612 1 1112 . 1 1 89 89 LYS HG2 H 1 1.372 0.020 . 2 . . . A 89 LYS HG2 . 17612 1 1113 . 1 1 89 89 LYS HG3 H 1 1.372 0.020 . 2 . . . A 89 LYS HG3 . 17612 1 1114 . 1 1 89 89 LYS HD2 H 1 1.563 0.020 . 2 . . . A 89 LYS HD2 . 17612 1 1115 . 1 1 89 89 LYS HD3 H 1 1.563 0.020 . 2 . . . A 89 LYS HD3 . 17612 1 1116 . 1 1 89 89 LYS HE2 H 1 2.895 0.020 . 2 . . . A 89 LYS HE2 . 17612 1 1117 . 1 1 89 89 LYS HE3 H 1 2.895 0.020 . 2 . . . A 89 LYS HE3 . 17612 1 1118 . 1 1 89 89 LYS C C 13 179.374 0.300 . 1 . . . A 89 LYS C . 17612 1 1119 . 1 1 89 89 LYS CA C 13 59.972 0.300 . 1 . . . A 89 LYS CA . 17612 1 1120 . 1 1 89 89 LYS CB C 13 32.432 0.300 . 1 . . . A 89 LYS CB . 17612 1 1121 . 1 1 89 89 LYS CG C 13 25.464 0.300 . 1 . . . A 89 LYS CG . 17612 1 1122 . 1 1 89 89 LYS CD C 13 29.445 0.300 . 1 . . . A 89 LYS CD . 17612 1 1123 . 1 1 89 89 LYS CE C 13 42.054 0.300 . 1 . . . A 89 LYS CE . 17612 1 1124 . 1 1 89 89 LYS N N 15 119.570 0.300 . 1 . . . A 89 LYS N . 17612 1 1125 . 1 1 90 90 VAL H H 1 8.046 0.020 . 1 . . . A 90 VAL H . 17612 1 1126 . 1 1 90 90 VAL HA H 1 3.390 0.020 . 1 . . . A 90 VAL HA . 17612 1 1127 . 1 1 90 90 VAL HB H 1 2.486 0.020 . 1 . . . A 90 VAL HB . 17612 1 1128 . 1 1 90 90 VAL HG11 H 1 0.961 0.020 . 2 . . . A 90 VAL HG1 . 17612 1 1129 . 1 1 90 90 VAL HG12 H 1 0.961 0.020 . 2 . . . A 90 VAL HG1 . 17612 1 1130 . 1 1 90 90 VAL HG13 H 1 0.961 0.020 . 2 . . . A 90 VAL HG1 . 17612 1 1131 . 1 1 90 90 VAL HG21 H 1 1.110 0.020 . 2 . . . A 90 VAL HG2 . 17612 1 1132 . 1 1 90 90 VAL HG22 H 1 1.110 0.020 . 2 . . . A 90 VAL HG2 . 17612 1 1133 . 1 1 90 90 VAL HG23 H 1 1.110 0.020 . 2 . . . A 90 VAL HG2 . 17612 1 1134 . 1 1 90 90 VAL C C 13 177.555 0.300 . 1 . . . A 90 VAL C . 17612 1 1135 . 1 1 90 90 VAL CA C 13 67.941 0.300 . 1 . . . A 90 VAL CA . 17612 1 1136 . 1 1 90 90 VAL CB C 13 31.495 0.300 . 1 . . . A 90 VAL CB . 17612 1 1137 . 1 1 90 90 VAL CG1 C 13 21.187 0.300 . 1 . . . A 90 VAL CG1 . 17612 1 1138 . 1 1 90 90 VAL CG2 C 13 23.325 0.300 . 1 . . . A 90 VAL CG2 . 17612 1 1139 . 1 1 90 90 VAL N N 15 119.608 0.300 . 1 . . . A 90 VAL N . 17612 1 1140 . 1 1 91 91 LYS H H 1 8.567 0.020 . 1 . . . A 91 LYS H . 17612 1 1141 . 1 1 91 91 LYS HA H 1 3.838 0.020 . 1 . . . A 91 LYS HA . 17612 1 1142 . 1 1 91 91 LYS HB2 H 1 1.952 0.020 . 1 . . . A 91 LYS HB2 . 17612 1 1143 . 1 1 91 91 LYS HB3 H 1 1.980 0.020 . 1 . . . A 91 LYS HB3 . 17612 1 1144 . 1 1 91 91 LYS HG2 H 1 1.732 0.020 . 2 . . . A 91 LYS HG2 . 17612 1 1145 . 1 1 91 91 LYS HG3 H 1 1.732 0.020 . 2 . . . A 91 LYS HG3 . 17612 1 1146 . 1 1 91 91 LYS HD2 H 1 1.563 0.020 . 2 . . . A 91 LYS HD2 . 17612 1 1147 . 1 1 91 91 LYS HD3 H 1 1.563 0.020 . 2 . . . A 91 LYS HD3 . 17612 1 1148 . 1 1 91 91 LYS HE2 H 1 2.924 0.020 . 2 . . . A 91 LYS HE2 . 17612 1 1149 . 1 1 91 91 LYS HE3 H 1 2.924 0.020 . 2 . . . A 91 LYS HE3 . 17612 1 1150 . 1 1 91 91 LYS C C 13 179.255 0.300 . 1 . . . A 91 LYS C . 17612 1 1151 . 1 1 91 91 LYS CA C 13 60.600 0.300 . 1 . . . A 91 LYS CA . 17612 1 1152 . 1 1 91 91 LYS CB C 13 32.315 0.300 . 1 . . . A 91 LYS CB . 17612 1 1153 . 1 1 91 91 LYS CG C 13 25.712 0.300 . 1 . . . A 91 LYS CG . 17612 1 1154 . 1 1 91 91 LYS CD C 13 29.477 0.300 . 1 . . . A 91 LYS CD . 17612 1 1155 . 1 1 91 91 LYS CE C 13 42.048 0.300 . 1 . . . A 91 LYS CE . 17612 1 1156 . 1 1 91 91 LYS N N 15 119.055 0.300 . 1 . . . A 91 LYS N . 17612 1 1157 . 1 1 92 92 LYS H H 1 8.459 0.020 . 1 . . . A 92 LYS H . 17612 1 1158 . 1 1 92 92 LYS HA H 1 4.104 0.020 . 1 . . . A 92 LYS HA . 17612 1 1159 . 1 1 92 92 LYS HB2 H 1 1.972 0.020 . 2 . . . A 92 LYS HB2 . 17612 1 1160 . 1 1 92 92 LYS HB3 H 1 1.906 0.020 . 2 . . . A 92 LYS HB3 . 17612 1 1161 . 1 1 92 92 LYS HG2 H 1 1.492 0.020 . 1 . . . A 92 LYS HG2 . 17612 1 1162 . 1 1 92 92 LYS HG3 H 1 1.610 0.020 . 1 . . . A 92 LYS HG3 . 17612 1 1163 . 1 1 92 92 LYS HD2 H 1 1.690 0.020 . 2 . . . A 92 LYS HD2 . 17612 1 1164 . 1 1 92 92 LYS HD3 H 1 1.690 0.020 . 2 . . . A 92 LYS HD3 . 17612 1 1165 . 1 1 92 92 LYS HE2 H 1 2.951 0.020 . 2 . . . A 92 LYS HE2 . 17612 1 1166 . 1 1 92 92 LYS HE3 H 1 2.951 0.020 . 2 . . . A 92 LYS HE3 . 17612 1 1167 . 1 1 92 92 LYS C C 13 180.469 0.300 . 1 . . . A 92 LYS C . 17612 1 1168 . 1 1 92 92 LYS CA C 13 59.386 0.300 . 1 . . . A 92 LYS CA . 17612 1 1169 . 1 1 92 92 LYS CB C 13 32.180 0.300 . 1 . . . A 92 LYS CB . 17612 1 1170 . 1 1 92 92 LYS CG C 13 25.634 0.300 . 1 . . . A 92 LYS CG . 17612 1 1171 . 1 1 92 92 LYS CD C 13 29.111 0.300 . 1 . . . A 92 LYS CD . 17612 1 1172 . 1 1 92 92 LYS CE C 13 42.054 0.300 . 1 . . . A 92 LYS CE . 17612 1 1173 . 1 1 92 92 LYS N N 15 119.273 0.300 . 1 . . . A 92 LYS N . 17612 1 1174 . 1 1 93 93 LYS H H 1 7.944 0.020 . 1 . . . A 93 LYS H . 17612 1 1175 . 1 1 93 93 LYS HA H 1 4.178 0.020 . 1 . . . A 93 LYS HA . 17612 1 1176 . 1 1 93 93 LYS HB2 H 1 1.978 0.020 . 2 . . . A 93 LYS HB2 . 17612 1 1177 . 1 1 93 93 LYS HB3 H 1 1.572 0.020 . 2 . . . A 93 LYS HB3 . 17612 1 1178 . 1 1 93 93 LYS HG2 H 1 1.371 0.020 . 2 . . . A 93 LYS HG2 . 17612 1 1179 . 1 1 93 93 LYS HG3 H 1 1.371 0.020 . 2 . . . A 93 LYS HG3 . 17612 1 1180 . 1 1 93 93 LYS HD2 H 1 1.612 0.020 . 2 . . . A 93 LYS HD2 . 17612 1 1181 . 1 1 93 93 LYS HD3 H 1 1.612 0.020 . 2 . . . A 93 LYS HD3 . 17612 1 1182 . 1 1 93 93 LYS HE2 H 1 2.862 0.020 . 2 . . . A 93 LYS HE2 . 17612 1 1183 . 1 1 93 93 LYS HE3 H 1 2.862 0.020 . 2 . . . A 93 LYS HE3 . 17612 1 1184 . 1 1 93 93 LYS C C 13 178.706 0.300 . 1 . . . A 93 LYS C . 17612 1 1185 . 1 1 93 93 LYS CA C 13 59.184 0.300 . 1 . . . A 93 LYS CA . 17612 1 1186 . 1 1 93 93 LYS CB C 13 32.853 0.300 . 1 . . . A 93 LYS CB . 17612 1 1187 . 1 1 93 93 LYS CG C 13 25.390 0.300 . 1 . . . A 93 LYS CG . 17612 1 1188 . 1 1 93 93 LYS CD C 13 29.445 0.300 . 1 . . . A 93 LYS CD . 17612 1 1189 . 1 1 93 93 LYS CE C 13 41.906 0.300 . 1 . . . A 93 LYS CE . 17612 1 1190 . 1 1 93 93 LYS N N 15 119.903 0.300 . 1 . . . A 93 LYS N . 17612 1 1191 . 1 1 94 94 LEU H H 1 8.464 0.020 . 1 . . . A 94 LEU H . 17612 1 1192 . 1 1 94 94 LEU HA H 1 3.938 0.020 . 1 . . . A 94 LEU HA . 17612 1 1193 . 1 1 94 94 LEU HB2 H 1 1.864 0.020 . 2 . . . A 94 LEU HB2 . 17612 1 1194 . 1 1 94 94 LEU HB3 H 1 1.624 0.020 . 2 . . . A 94 LEU HB3 . 17612 1 1195 . 1 1 94 94 LEU HD11 H 1 0.801 0.020 . 2 . . . A 94 LEU HD1 . 17612 1 1196 . 1 1 94 94 LEU HD12 H 1 0.801 0.020 . 2 . . . A 94 LEU HD1 . 17612 1 1197 . 1 1 94 94 LEU HD13 H 1 0.801 0.020 . 2 . . . A 94 LEU HD1 . 17612 1 1198 . 1 1 94 94 LEU HD21 H 1 0.801 0.020 . 2 . . . A 94 LEU HD2 . 17612 1 1199 . 1 1 94 94 LEU HD22 H 1 0.801 0.020 . 2 . . . A 94 LEU HD2 . 17612 1 1200 . 1 1 94 94 LEU HD23 H 1 0.801 0.020 . 2 . . . A 94 LEU HD2 . 17612 1 1201 . 1 1 94 94 LEU C C 13 179.665 0.300 . 1 . . . A 94 LEU C . 17612 1 1202 . 1 1 94 94 LEU CA C 13 57.879 0.300 . 1 . . . A 94 LEU CA . 17612 1 1203 . 1 1 94 94 LEU CB C 13 41.137 0.300 . 1 . . . A 94 LEU CB . 17612 1 1204 . 1 1 94 94 LEU CG C 13 26.275 0.300 . 1 . . . A 94 LEU CG . 17612 1 1205 . 1 1 94 94 LEU N N 15 120.828 0.300 . 1 . . . A 94 LEU N . 17612 1 1206 . 1 1 95 95 ASP H H 1 8.345 0.020 . 1 . . . A 95 ASP H . 17612 1 1207 . 1 1 95 95 ASP HA H 1 4.402 0.020 . 1 . . . A 95 ASP HA . 17612 1 1208 . 1 1 95 95 ASP HB2 H 1 2.835 0.020 . 1 . . . A 95 ASP HB2 . 17612 1 1209 . 1 1 95 95 ASP HB3 H 1 2.727 0.020 . 1 . . . A 95 ASP HB3 . 17612 1 1210 . 1 1 95 95 ASP C C 13 178.317 0.300 . 1 . . . A 95 ASP C . 17612 1 1211 . 1 1 95 95 ASP CA C 13 57.628 0.300 . 1 . . . A 95 ASP CA . 17612 1 1212 . 1 1 95 95 ASP CB C 13 40.870 0.300 . 1 . . . A 95 ASP CB . 17612 1 1213 . 1 1 95 95 ASP N N 15 121.408 0.300 . 1 . . . A 95 ASP N . 17612 1 1214 . 1 1 96 96 MET H H 1 7.699 0.020 . 1 . . . A 96 MET H . 17612 1 1215 . 1 1 96 96 MET HA H 1 4.104 0.020 . 1 . . . A 96 MET HA . 17612 1 1216 . 1 1 96 96 MET HB2 H 1 2.336 0.020 . 1 . . . A 96 MET HB2 . 17612 1 1217 . 1 1 96 96 MET HB3 H 1 2.411 0.020 . 1 . . . A 96 MET HB3 . 17612 1 1218 . 1 1 96 96 MET HG2 H 1 2.815 0.020 . 2 . . . A 96 MET HG2 . 17612 1 1219 . 1 1 96 96 MET HG3 H 1 2.604 0.020 . 2 . . . A 96 MET HG3 . 17612 1 1220 . 1 1 96 96 MET C C 13 178.727 0.300 . 1 . . . A 96 MET C . 17612 1 1221 . 1 1 96 96 MET CA C 13 59.269 0.300 . 1 . . . A 96 MET CA . 17612 1 1222 . 1 1 96 96 MET CB C 13 32.111 0.300 . 1 . . . A 96 MET CB . 17612 1 1223 . 1 1 96 96 MET CG C 13 31.861 0.300 . 1 . . . A 96 MET CG . 17612 1 1224 . 1 1 96 96 MET N N 15 119.286 0.300 . 1 . . . A 96 MET N . 17612 1 1225 . 1 1 97 97 VAL H H 1 8.126 0.020 . 1 . . . A 97 VAL H . 17612 1 1226 . 1 1 97 97 VAL HA H 1 3.498 0.020 . 1 . . . A 97 VAL HA . 17612 1 1227 . 1 1 97 97 VAL HB H 1 2.470 0.020 . 1 . . . A 97 VAL HB . 17612 1 1228 . 1 1 97 97 VAL HG11 H 1 0.886 0.020 . 2 . . . A 97 VAL HG1 . 17612 1 1229 . 1 1 97 97 VAL HG12 H 1 0.886 0.020 . 2 . . . A 97 VAL HG1 . 17612 1 1230 . 1 1 97 97 VAL HG13 H 1 0.886 0.020 . 2 . . . A 97 VAL HG1 . 17612 1 1231 . 1 1 97 97 VAL HG21 H 1 1.109 0.020 . 2 . . . A 97 VAL HG2 . 17612 1 1232 . 1 1 97 97 VAL HG22 H 1 1.109 0.020 . 2 . . . A 97 VAL HG2 . 17612 1 1233 . 1 1 97 97 VAL HG23 H 1 1.109 0.020 . 2 . . . A 97 VAL HG2 . 17612 1 1234 . 1 1 97 97 VAL C C 13 177.073 0.300 . 1 . . . A 97 VAL C . 17612 1 1235 . 1 1 97 97 VAL CA C 13 67.120 0.300 . 1 . . . A 97 VAL CA . 17612 1 1236 . 1 1 97 97 VAL CB C 13 31.261 0.300 . 1 . . . A 97 VAL CB . 17612 1 1237 . 1 1 97 97 VAL CG1 C 13 21.187 0.300 . 1 . . . A 97 VAL CG1 . 17612 1 1238 . 1 1 97 97 VAL CG2 C 13 23.178 0.300 . 1 . . . A 97 VAL CG2 . 17612 1 1239 . 1 1 97 97 VAL N N 15 119.903 0.300 . 1 . . . A 97 VAL N . 17612 1 1240 . 1 1 98 98 THR H H 1 8.224 0.020 . 1 . . . A 98 THR H . 17612 1 1241 . 1 1 98 98 THR HA H 1 3.631 0.020 . 1 . . . A 98 THR HA . 17612 1 1242 . 1 1 98 98 THR HB H 1 4.366 0.020 . 1 . . . A 98 THR HB . 17612 1 1243 . 1 1 98 98 THR HG21 H 1 1.228 0.020 . 1 . . . A 98 THR HG2 . 17612 1 1244 . 1 1 98 98 THR HG22 H 1 1.228 0.020 . 1 . . . A 98 THR HG2 . 17612 1 1245 . 1 1 98 98 THR HG23 H 1 1.228 0.020 . 1 . . . A 98 THR HG2 . 17612 1 1246 . 1 1 98 98 THR C C 13 176.091 0.300 . 1 . . . A 98 THR C . 17612 1 1247 . 1 1 98 98 THR CA C 13 67.355 0.300 . 1 . . . A 98 THR CA . 17612 1 1248 . 1 1 98 98 THR CB C 13 68.410 0.300 . 1 . . . A 98 THR CB . 17612 1 1249 . 1 1 98 98 THR CG2 C 13 21.777 0.300 . 1 . . . A 98 THR CG2 . 17612 1 1250 . 1 1 98 98 THR N N 15 115.598 0.300 . 1 . . . A 98 THR N . 17612 1 1251 . 1 1 99 99 ARG H H 1 7.944 0.020 . 1 . . . A 99 ARG H . 17612 1 1252 . 1 1 99 99 ARG HA H 1 4.095 0.020 . 1 . . . A 99 ARG HA . 17612 1 1253 . 1 1 99 99 ARG HB2 H 1 1.941 0.020 . 2 . . . A 99 ARG HB2 . 17612 1 1254 . 1 1 99 99 ARG HB3 H 1 1.869 0.020 . 2 . . . A 99 ARG HB3 . 17612 1 1255 . 1 1 99 99 ARG HG2 H 1 1.806 0.020 . 2 . . . A 99 ARG HG2 . 17612 1 1256 . 1 1 99 99 ARG HG3 H 1 1.627 0.020 . 2 . . . A 99 ARG HG3 . 17612 1 1257 . 1 1 99 99 ARG HD2 H 1 3.227 0.020 . 2 . . . A 99 ARG HD2 . 17612 1 1258 . 1 1 99 99 ARG HD3 H 1 3.138 0.020 . 2 . . . A 99 ARG HD3 . 17612 1 1259 . 1 1 99 99 ARG C C 13 179.606 0.300 . 1 . . . A 99 ARG C . 17612 1 1260 . 1 1 99 99 ARG CA C 13 59.386 0.300 . 1 . . . A 99 ARG CA . 17612 1 1261 . 1 1 99 99 ARG CB C 13 30.070 0.300 . 1 . . . A 99 ARG CB . 17612 1 1262 . 1 1 99 99 ARG CG C 13 27.781 0.300 . 1 . . . A 99 ARG CG . 17612 1 1263 . 1 1 99 99 ARG CD C 13 43.454 0.300 . 1 . . . A 99 ARG CD . 17612 1 1264 . 1 1 99 99 ARG N N 15 119.903 0.300 . 1 . . . A 99 ARG N . 17612 1 1265 . 1 1 100 100 GLU H H 1 8.208 0.020 . 1 . . . A 100 GLU H . 17612 1 1266 . 1 1 100 100 GLU HA H 1 4.012 0.020 . 1 . . . A 100 GLU HA . 17612 1 1267 . 1 1 100 100 GLU HB2 H 1 2.050 0.020 . 2 . . . A 100 GLU HB2 . 17612 1 1268 . 1 1 100 100 GLU HB3 H 1 1.933 0.020 . 2 . . . A 100 GLU HB3 . 17612 1 1269 . 1 1 100 100 GLU HG2 H 1 2.314 0.020 . 2 . . . A 100 GLU HG2 . 17612 1 1270 . 1 1 100 100 GLU HG3 H 1 2.314 0.020 . 2 . . . A 100 GLU HG3 . 17612 1 1271 . 1 1 100 100 GLU C C 13 179.548 0.300 . 1 . . . A 100 GLU C . 17612 1 1272 . 1 1 100 100 GLU CA C 13 58.800 0.300 . 1 . . . A 100 GLU CA . 17612 1 1273 . 1 1 100 100 GLU CB C 13 29.503 0.300 . 1 . . . A 100 GLU CB . 17612 1 1274 . 1 1 100 100 GLU CG C 13 36.337 0.300 . 1 . . . A 100 GLU CG . 17612 1 1275 . 1 1 100 100 GLU N N 15 119.262 0.300 . 1 . . . A 100 GLU N . 17612 1 1276 . 1 1 101 101 LEU H H 1 8.450 0.020 . 1 . . . A 101 LEU H . 17612 1 1277 . 1 1 101 101 LEU HA H 1 3.863 0.020 . 1 . . . A 101 LEU HA . 17612 1 1278 . 1 1 101 101 LEU HB2 H 1 1.873 0.020 . 2 . . . A 101 LEU HB2 . 17612 1 1279 . 1 1 101 101 LEU HB3 H 1 1.453 0.020 . 2 . . . A 101 LEU HB3 . 17612 1 1280 . 1 1 101 101 LEU HG H 1 0.797 0.020 . 1 . . . A 101 LEU HG . 17612 1 1281 . 1 1 101 101 LEU HD11 H 1 0.792 0.020 . 2 . . . A 101 LEU HD1 . 17612 1 1282 . 1 1 101 101 LEU HD12 H 1 0.792 0.020 . 2 . . . A 101 LEU HD1 . 17612 1 1283 . 1 1 101 101 LEU HD13 H 1 0.792 0.020 . 2 . . . A 101 LEU HD1 . 17612 1 1284 . 1 1 101 101 LEU HD21 H 1 0.792 0.020 . 2 . . . A 101 LEU HD2 . 17612 1 1285 . 1 1 101 101 LEU HD22 H 1 0.792 0.020 . 2 . . . A 101 LEU HD2 . 17612 1 1286 . 1 1 101 101 LEU HD23 H 1 0.792 0.020 . 2 . . . A 101 LEU HD2 . 17612 1 1287 . 1 1 101 101 LEU C C 13 178.434 0.300 . 1 . . . A 101 LEU C . 17612 1 1288 . 1 1 101 101 LEU CA C 13 57.547 0.300 . 1 . . . A 101 LEU CA . 17612 1 1289 . 1 1 101 101 LEU CB C 13 41.456 0.300 . 1 . . . A 101 LEU CB . 17612 1 1290 . 1 1 101 101 LEU CG C 13 26.570 0.300 . 1 . . . A 101 LEU CG . 17612 1 1291 . 1 1 101 101 LEU N N 15 119.890 0.300 . 1 . . . A 101 LEU N . 17612 1 1292 . 1 1 102 102 ASP H H 1 8.036 0.020 . 1 . . . A 102 ASP H . 17612 1 1293 . 1 1 102 102 ASP HA H 1 4.427 0.020 . 1 . . . A 102 ASP HA . 17612 1 1294 . 1 1 102 102 ASP HB2 H 1 2.727 0.020 . 2 . . . A 102 ASP HB2 . 17612 1 1295 . 1 1 102 102 ASP HB3 H 1 2.619 0.020 . 2 . . . A 102 ASP HB3 . 17612 1 1296 . 1 1 102 102 ASP C C 13 178.552 0.300 . 1 . . . A 102 ASP C . 17612 1 1297 . 1 1 102 102 ASP CA C 13 57.042 0.300 . 1 . . . A 102 ASP CA . 17612 1 1298 . 1 1 102 102 ASP CB C 13 40.753 0.300 . 1 . . . A 102 ASP CB . 17612 1 1299 . 1 1 102 102 ASP N N 15 118.529 0.300 . 1 . . . A 102 ASP N . 17612 1 1300 . 1 1 103 103 LYS H H 1 7.498 0.020 . 1 . . . A 103 LYS H . 17612 1 1301 . 1 1 103 103 LYS HA H 1 4.052 0.020 . 1 . . . A 103 LYS HA . 17612 1 1302 . 1 1 103 103 LYS HB2 H 1 1.856 0.020 . 2 . . . A 103 LYS HB2 . 17612 1 1303 . 1 1 103 103 LYS HB3 H 1 1.856 0.020 . 2 . . . A 103 LYS HB3 . 17612 1 1304 . 1 1 103 103 LYS HG2 H 1 1.554 0.020 . 2 . . . A 103 LYS HG2 . 17612 1 1305 . 1 1 103 103 LYS HG3 H 1 1.554 0.020 . 2 . . . A 103 LYS HG3 . 17612 1 1306 . 1 1 103 103 LYS HD2 H 1 1.684 0.020 . 2 . . . A 103 LYS HD2 . 17612 1 1307 . 1 1 103 103 LYS HD3 H 1 1.684 0.020 . 2 . . . A 103 LYS HD3 . 17612 1 1308 . 1 1 103 103 LYS HE2 H 1 2.882 0.020 . 2 . . . A 103 LYS HE2 . 17612 1 1309 . 1 1 103 103 LYS HE3 H 1 2.882 0.020 . 2 . . . A 103 LYS HE3 . 17612 1 1310 . 1 1 103 103 LYS C C 13 178.669 0.300 . 1 . . . A 103 LYS C . 17612 1 1311 . 1 1 103 103 LYS CA C 13 58.427 0.300 . 1 . . . A 103 LYS CA . 17612 1 1312 . 1 1 103 103 LYS CB C 13 32.559 0.300 . 1 . . . A 103 LYS CB . 17612 1 1313 . 1 1 103 103 LYS CG C 13 25.021 0.300 . 1 . . . A 103 LYS CG . 17612 1 1314 . 1 1 103 103 LYS CD C 13 29.476 0.300 . 1 . . . A 103 LYS CD . 17612 1 1315 . 1 1 103 103 LYS CE C 13 41.980 0.300 . 1 . . . A 103 LYS CE . 17612 1 1316 . 1 1 103 103 LYS N N 15 118.311 0.300 . 1 . . . A 103 LYS N . 17612 1 1317 . 1 1 104 104 LYS H H 1 7.782 0.020 . 1 . . . A 104 LYS H . 17612 1 1318 . 1 1 104 104 LYS HA H 1 4.104 0.020 . 1 . . . A 104 LYS HA . 17612 1 1319 . 1 1 104 104 LYS HB2 H 1 1.694 0.020 . 2 . . . A 104 LYS HB2 . 17612 1 1320 . 1 1 104 104 LYS HB3 H 1 1.532 0.020 . 2 . . . A 104 LYS HB3 . 17612 1 1321 . 1 1 104 104 LYS HG2 H 1 1.217 0.020 . 2 . . . A 104 LYS HG2 . 17612 1 1322 . 1 1 104 104 LYS HG3 H 1 0.968 0.020 . 2 . . . A 104 LYS HG3 . 17612 1 1323 . 1 1 104 104 LYS HD2 H 1 1.296 0.020 . 2 . . . A 104 LYS HD2 . 17612 1 1324 . 1 1 104 104 LYS HD3 H 1 1.262 0.020 . 2 . . . A 104 LYS HD3 . 17612 1 1325 . 1 1 104 104 LYS HE2 H 1 2.619 0.020 . 2 . . . A 104 LYS HE2 . 17612 1 1326 . 1 1 104 104 LYS HE3 H 1 2.495 0.020 . 2 . . . A 104 LYS HE3 . 17612 1 1327 . 1 1 104 104 LYS C C 13 178.083 0.300 . 1 . . . A 104 LYS C . 17612 1 1328 . 1 1 104 104 LYS CA C 13 57.042 0.300 . 1 . . . A 104 LYS CA . 17612 1 1329 . 1 1 104 104 LYS CB C 13 32.072 0.300 . 1 . . . A 104 LYS CB . 17612 1 1330 . 1 1 104 104 LYS CG C 13 24.021 0.300 . 1 . . . A 104 LYS CG . 17612 1 1331 . 1 1 104 104 LYS CD C 13 27.889 0.300 . 1 . . . A 104 LYS CD . 17612 1 1332 . 1 1 104 104 LYS CE C 13 41.832 0.300 . 1 . . . A 104 LYS CE . 17612 1 1333 . 1 1 104 104 LYS N N 15 118.117 0.300 . 1 . . . A 104 LYS N . 17612 1 1334 . 1 1 105 105 VAL H H 1 7.908 0.020 . 1 . . . A 105 VAL H . 17612 1 1335 . 1 1 105 105 VAL HA H 1 4.062 0.020 . 1 . . . A 105 VAL HA . 17612 1 1336 . 1 1 105 105 VAL HB H 1 2.221 0.020 . 1 . . . A 105 VAL HB . 17612 1 1337 . 1 1 105 105 VAL HG11 H 1 0.923 0.020 . 2 . . . A 105 VAL HG1 . 17612 1 1338 . 1 1 105 105 VAL HG12 H 1 0.923 0.020 . 2 . . . A 105 VAL HG1 . 17612 1 1339 . 1 1 105 105 VAL HG13 H 1 0.923 0.020 . 2 . . . A 105 VAL HG1 . 17612 1 1340 . 1 1 105 105 VAL HG21 H 1 0.923 0.020 . 2 . . . A 105 VAL HG2 . 17612 1 1341 . 1 1 105 105 VAL HG22 H 1 0.923 0.020 . 2 . . . A 105 VAL HG2 . 17612 1 1342 . 1 1 105 105 VAL HG23 H 1 0.923 0.020 . 2 . . . A 105 VAL HG2 . 17612 1 1343 . 1 1 105 105 VAL C C 13 176.911 0.300 . 1 . . . A 105 VAL C . 17612 1 1344 . 1 1 105 105 VAL CA C 13 63.370 0.300 . 1 . . . A 105 VAL CA . 17612 1 1345 . 1 1 105 105 VAL CB C 13 32.198 0.300 . 1 . . . A 105 VAL CB . 17612 1 1346 . 1 1 105 105 VAL N N 15 116.447 0.300 . 1 . . . A 105 VAL N . 17612 1 1347 . 1 1 106 106 SER H H 1 8.060 0.020 . 1 . . . A 106 SER H . 17612 1 1348 . 1 1 106 106 SER HA H 1 4.386 0.020 . 1 . . . A 106 SER HA . 17612 1 1349 . 1 1 106 106 SER HB2 H 1 3.923 0.020 . 2 . . . A 106 SER HB2 . 17612 1 1350 . 1 1 106 106 SER HB3 H 1 3.923 0.020 . 2 . . . A 106 SER HB3 . 17612 1 1351 . 1 1 106 106 SER C C 13 175.626 0.300 . 1 . . . A 106 SER C . 17612 1 1352 . 1 1 106 106 SER CA C 13 59.503 0.300 . 1 . . . A 106 SER CA . 17612 1 1353 . 1 1 106 106 SER CB C 13 63.526 0.300 . 1 . . . A 106 SER CB . 17612 1 1354 . 1 1 106 106 SER N N 15 116.819 0.300 . 1 . . . A 106 SER N . 17612 1 1355 . 1 1 107 107 GLY H H 1 8.203 0.020 . 1 . . . A 107 GLY H . 17612 1 1356 . 1 1 107 107 GLY HA2 H 1 4.000 0.020 . 2 . . . A 107 GLY HA2 . 17612 1 1357 . 1 1 107 107 GLY HA3 H 1 3.965 0.020 . 2 . . . A 107 GLY HA3 . 17612 1 1358 . 1 1 107 107 GLY C C 13 174.508 0.300 . 1 . . . A 107 GLY C . 17612 1 1359 . 1 1 107 107 GLY CA C 13 45.675 0.300 . 1 . . . A 107 GLY CA . 17612 1 1360 . 1 1 107 107 GLY N N 15 109.747 0.300 . 1 . . . A 107 GLY N . 17612 1 1361 . 1 1 108 108 SER H H 1 8.037 0.020 . 1 . . . A 108 SER H . 17612 1 1362 . 1 1 108 108 SER HA H 1 4.411 0.020 . 1 . . . A 108 SER HA . 17612 1 1363 . 1 1 108 108 SER HB2 H 1 3.789 0.020 . 2 . . . A 108 SER HB2 . 17612 1 1364 . 1 1 108 108 SER HB3 H 1 3.789 0.020 . 2 . . . A 108 SER HB3 . 17612 1 1365 . 1 1 108 108 SER C C 13 174.157 0.300 . 1 . . . A 108 SER C . 17612 1 1366 . 1 1 108 108 SER CA C 13 58.800 0.300 . 1 . . . A 108 SER CA . 17612 1 1367 . 1 1 108 108 SER CB C 13 63.644 0.300 . 1 . . . A 108 SER CB . 17612 1 1368 . 1 1 108 108 SER N N 15 115.307 0.300 . 1 . . . A 108 SER N . 17612 1 1369 . 1 1 109 109 TYR H H 1 7.982 0.020 . 1 . . . A 109 TYR H . 17612 1 1370 . 1 1 109 109 TYR HA H 1 4.543 0.020 . 1 . . . A 109 TYR HA . 17612 1 1371 . 1 1 109 109 TYR HB2 H 1 3.059 0.020 . 2 . . . A 109 TYR HB2 . 17612 1 1372 . 1 1 109 109 TYR HB3 H 1 2.942 0.020 . 2 . . . A 109 TYR HB3 . 17612 1 1373 . 1 1 109 109 TYR HD1 H 1 7.108 0.020 . 3 . . . A 109 TYR HD1 . 17612 1 1374 . 1 1 109 109 TYR HD2 H 1 7.108 0.020 . 3 . . . A 109 TYR HD2 . 17612 1 1375 . 1 1 109 109 TYR HE1 H 1 6.799 0.020 . 3 . . . A 109 TYR HE1 . 17612 1 1376 . 1 1 109 109 TYR HE2 H 1 6.799 0.020 . 3 . . . A 109 TYR HE2 . 17612 1 1377 . 1 1 109 109 TYR C C 13 175.329 0.300 . 1 . . . A 109 TYR C . 17612 1 1378 . 1 1 109 109 TYR CA C 13 57.980 0.300 . 1 . . . A 109 TYR CA . 17612 1 1379 . 1 1 109 109 TYR CB C 13 38.391 0.300 . 1 . . . A 109 TYR CB . 17612 1 1380 . 1 1 109 109 TYR CD1 C 13 133.197 0.300 . 1 . . . A 109 TYR CD1 . 17612 1 1381 . 1 1 109 109 TYR CE1 C 13 118.207 0.300 . 1 . . . A 109 TYR CE1 . 17612 1 1382 . 1 1 109 109 TYR N N 15 121.136 0.300 . 1 . . . A 109 TYR N . 17612 1 1383 . 1 1 110 110 LEU H H 1 7.999 0.020 . 1 . . . A 110 LEU H . 17612 1 1384 . 1 1 110 110 LEU HA H 1 4.294 0.020 . 1 . . . A 110 LEU HA . 17612 1 1385 . 1 1 110 110 LEU HB2 H 1 1.557 0.020 . 2 . . . A 110 LEU HB2 . 17612 1 1386 . 1 1 110 110 LEU HB3 H 1 1.508 0.020 . 2 . . . A 110 LEU HB3 . 17612 1 1387 . 1 1 110 110 LEU HG H 1 0.853 0.020 . 1 . . . A 110 LEU HG . 17612 1 1388 . 1 1 110 110 LEU HD11 H 1 0.752 0.020 . 2 . . . A 110 LEU HD1 . 17612 1 1389 . 1 1 110 110 LEU HD12 H 1 0.752 0.020 . 2 . . . A 110 LEU HD1 . 17612 1 1390 . 1 1 110 110 LEU HD13 H 1 0.752 0.020 . 2 . . . A 110 LEU HD1 . 17612 1 1391 . 1 1 110 110 LEU HD21 H 1 0.752 0.020 . 2 . . . A 110 LEU HD2 . 17612 1 1392 . 1 1 110 110 LEU HD22 H 1 0.752 0.020 . 2 . . . A 110 LEU HD2 . 17612 1 1393 . 1 1 110 110 LEU HD23 H 1 0.752 0.020 . 2 . . . A 110 LEU HD2 . 17612 1 1394 . 1 1 110 110 LEU C C 13 176.501 0.300 . 1 . . . A 110 LEU C . 17612 1 1395 . 1 1 110 110 LEU CA C 13 54.933 0.300 . 1 . . . A 110 LEU CA . 17612 1 1396 . 1 1 110 110 LEU CB C 13 42.237 0.300 . 1 . . . A 110 LEU CB . 17612 1 1397 . 1 1 110 110 LEU CG C 13 26.791 0.300 . 1 . . . A 110 LEU CG . 17612 1 1398 . 1 1 110 110 LEU N N 15 122.989 0.300 . 1 . . . A 110 LEU N . 17612 1 1399 . 1 1 111 111 VAL H H 1 7.882 0.020 . 1 . . . A 111 VAL H . 17612 1 1400 . 1 1 111 111 VAL HA H 1 4.331 0.020 . 1 . . . A 111 VAL HA . 17612 1 1401 . 1 1 111 111 VAL HB H 1 2.055 0.020 . 1 . . . A 111 VAL HB . 17612 1 1402 . 1 1 111 111 VAL HG11 H 1 0.960 0.020 . 2 . . . A 111 VAL HG1 . 17612 1 1403 . 1 1 111 111 VAL HG12 H 1 0.960 0.020 . 2 . . . A 111 VAL HG1 . 17612 1 1404 . 1 1 111 111 VAL HG13 H 1 0.960 0.020 . 2 . . . A 111 VAL HG1 . 17612 1 1405 . 1 1 111 111 VAL HG21 H 1 0.960 0.020 . 2 . . . A 111 VAL HG2 . 17612 1 1406 . 1 1 111 111 VAL HG22 H 1 0.960 0.020 . 2 . . . A 111 VAL HG2 . 17612 1 1407 . 1 1 111 111 VAL HG23 H 1 0.960 0.020 . 2 . . . A 111 VAL HG2 . 17612 1 1408 . 1 1 111 111 VAL C C 13 174.271 0.300 . 1 . . . A 111 VAL C . 17612 1 1409 . 1 1 111 111 VAL CA C 13 59.738 0.300 . 1 . . . A 111 VAL CA . 17612 1 1410 . 1 1 111 111 VAL CB C 13 32.667 0.300 . 1 . . . A 111 VAL CB . 17612 1 1411 . 1 1 111 111 VAL N N 15 122.072 0.300 . 1 . . . A 111 VAL N . 17612 1 1412 . 1 1 112 112 PRO HA H 1 4.369 0.020 . 1 . . . A 112 PRO HA . 17612 1 1413 . 1 1 112 112 PRO HB2 H 1 2.237 0.020 . 2 . . . A 112 PRO HB2 . 17612 1 1414 . 1 1 112 112 PRO HB3 H 1 1.922 0.020 . 2 . . . A 112 PRO HB3 . 17612 1 1415 . 1 1 112 112 PRO HG2 H 1 2.030 0.020 . 2 . . . A 112 PRO HG2 . 17612 1 1416 . 1 1 112 112 PRO HG3 H 1 1.936 0.020 . 2 . . . A 112 PRO HG3 . 17612 1 1417 . 1 1 112 112 PRO HD2 H 1 3.841 0.020 . 2 . . . A 112 PRO HD2 . 17612 1 1418 . 1 1 112 112 PRO HD3 H 1 3.660 0.020 . 2 . . . A 112 PRO HD3 . 17612 1 1419 . 1 1 112 112 PRO C C 13 175.973 0.300 . 1 . . . A 112 PRO C . 17612 1 1420 . 1 1 112 112 PRO CA C 13 63.356 0.300 . 1 . . . A 112 PRO CA . 17612 1 1421 . 1 1 112 112 PRO CB C 13 31.949 0.300 . 1 . . . A 112 PRO CB . 17612 1 1422 . 1 1 112 112 PRO CG C 13 27.307 0.300 . 1 . . . A 112 PRO CG . 17612 1 1423 . 1 1 112 112 PRO CD C 13 50.923 0.300 . 1 . . . A 112 PRO CD . 17612 1 1424 . 1 1 113 113 ARG H H 1 7.937 0.020 . 1 . . . A 113 ARG H . 17612 1 1425 . 1 1 113 113 ARG HA H 1 4.136 0.020 . 1 . . . A 113 ARG HA . 17612 1 1426 . 1 1 113 113 ARG HB2 H 1 1.821 0.020 . 2 . . . A 113 ARG HB2 . 17612 1 1427 . 1 1 113 113 ARG HB3 H 1 1.688 0.020 . 2 . . . A 113 ARG HB3 . 17612 1 1428 . 1 1 113 113 ARG HG2 H 1 1.592 0.020 . 2 . . . A 113 ARG HG2 . 17612 1 1429 . 1 1 113 113 ARG HG3 H 1 1.592 0.020 . 2 . . . A 113 ARG HG3 . 17612 1 1430 . 1 1 113 113 ARG HD2 H 1 3.148 0.020 . 2 . . . A 113 ARG HD2 . 17612 1 1431 . 1 1 113 113 ARG HD3 H 1 3.148 0.020 . 2 . . . A 113 ARG HD3 . 17612 1 1432 . 1 1 113 113 ARG CA C 13 57.394 0.300 . 1 . . . A 113 ARG CA . 17612 1 1433 . 1 1 113 113 ARG CB C 13 31.729 0.300 . 1 . . . A 113 ARG CB . 17612 1 1434 . 1 1 113 113 ARG CG C 13 27.086 0.300 . 1 . . . A 113 ARG CG . 17612 1 1435 . 1 1 113 113 ARG CD C 13 43.454 0.300 . 1 . . . A 113 ARG CD . 17612 1 1436 . 1 1 113 113 ARG N N 15 126.392 0.300 . 1 . . . A 113 ARG N . 17612 1 stop_ save_