data_15471 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15471 _Entry.Title ; NMR Structure of Peptidyl-tRNA hydrolase domain protein from Pseudomonas syringae pv. tomato:Northeast Structural Genomics Consortium Target PsR211 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-14 _Entry.Accession_date 2007-09-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'KIRAN KUMAR' SINGARAPU . . . 15471 2 DINESH SUKUMARAN . . . 15471 3 DAVID PARISH . . . 15471 4 ALEX ELETSKY . . . 15471 5 QI ZHANG . . . 15471 6 LI ZHAO . . . 15471 7 MEI JIANG . . . 15471 8 MELISSA MAGLAQUI . . . 15471 9 RONG XIAO . . . 15471 10 JINFENG LIU . . . 15471 11 MICHAEL BARAN . C. . 15471 12 G.V.T SWAPNA . . . 15471 13 YUANPENG HUANG . J. . 15471 14 THOMAS ACTON . B. . 15471 15 BURKHARD ROST . . . 15471 16 GAETANO MONTELIONE . T. . 15471 17 THOMAS SZYPERSKI . . . 15471 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 15471 '15N chemical shifts' 116 15471 '1H chemical shifts' 762 15471 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 3 . . 2010-05-26 2007-09-14 update BMRB 'update entity name' 15471 2 . . 2008-07-03 2007-09-14 update BMRB 'complete entry citation' 15471 1 . . 2007-10-12 2007-09-14 original author 'original release' 15471 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JVA 'BMRB Entry Tracking System' 15471 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15471 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18247350 _Citation.Full_citation . _Citation.Title 'NMR structure of the peptidyl-tRNA hydrolase domain from Pseudomonas syringae expands the structural coverage of the hydrolysis domains of class 1 peptide chain release factors' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 71 _Citation.Journal_issue 2 _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 1027 _Citation.Page_last 1031 _Citation.Year 2008 _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 'KIRAN KUMAR' SINGARAPU . . . 15471 1 2 RONG XIAO . . . 15471 1 3 THOMAS ACTON . B. . 15471 1 4 BURKHARD ROST . . . 15471 1 5 GAETANO MONTELIONE . . . 15471 1 6 THOMAS SZYPERSKI . . . 15471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15471 _Assembly.ID 1 _Assembly.Name 'Peptidyl-tRNA hydrolase domain protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Peptidyl-tRNA hydrolase domain protein' 1 $entity A . yes native no no . . . 15471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15471 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Peptidyl-tRNA hydrolase domain protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLVISNNVHLPDAEIELTAI RAQGAGGQNVNKVSSAMHLR FDINASSLPPFYKERLLALN DSRITSDGVIVLKAQQYRTQ EQNRADALLRLSELIVNAAK LEHHHHHH ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12100.852 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JVA . "Nmr Solution Structure Of Peptidyl-Trna Hydrolase Domain Protein From Pseudomonas Syringae Pv. Tomato. Northeast Structural Gen" . . . . . 100.00 108 100.00 100.00 7.79e-71 . . . . 15471 1 2 no GB EPN16620 . "hypothetical protein A259_13700 [Pseudomonas syringae pv. actinidiae ICMP 19070]" . . . . . 91.67 124 98.99 100.00 5.46e-63 . . . . 15471 1 3 no GB KPW06216 . "Uncharacterized protein ALO42_04673, partial [Pseudomonas syringae pv. atrofaciens]" . . . . . 91.67 119 97.98 100.00 9.26e-62 . . . . 15471 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 . 15471 1 2 . LEU . 15471 1 3 . VAL . 15471 1 4 . ILE . 15471 1 5 . SER . 15471 1 6 . ASN . 15471 1 7 . ASN . 15471 1 8 . VAL . 15471 1 9 . HIS . 15471 1 10 . LEU . 15471 1 11 . PRO . 15471 1 12 . ASP . 15471 1 13 . ALA . 15471 1 14 . GLU . 15471 1 15 . ILE . 15471 1 16 . GLU . 15471 1 17 . LEU . 15471 1 18 . THR . 15471 1 19 . ALA . 15471 1 20 . ILE . 15471 1 21 . ARG . 15471 1 22 . ALA . 15471 1 23 . GLN . 15471 1 24 . GLY . 15471 1 25 . ALA . 15471 1 26 . GLY . 15471 1 27 . GLY . 15471 1 28 . GLN . 15471 1 29 . ASN . 15471 1 30 . VAL . 15471 1 31 . ASN . 15471 1 32 . LYS . 15471 1 33 . VAL . 15471 1 34 . SER . 15471 1 35 . SER . 15471 1 36 . ALA . 15471 1 37 . MET . 15471 1 38 . HIS . 15471 1 39 . LEU . 15471 1 40 . ARG . 15471 1 41 . PHE . 15471 1 42 . ASP . 15471 1 43 . ILE . 15471 1 44 . ASN . 15471 1 45 . ALA . 15471 1 46 . SER . 15471 1 47 . SER . 15471 1 48 . LEU . 15471 1 49 . PRO . 15471 1 50 . PRO . 15471 1 51 . PHE . 15471 1 52 . TYR . 15471 1 53 . LYS . 15471 1 54 . GLU . 15471 1 55 . ARG . 15471 1 56 . LEU . 15471 1 57 . LEU . 15471 1 58 . ALA . 15471 1 59 . LEU . 15471 1 60 . ASN . 15471 1 61 . ASP . 15471 1 62 . SER . 15471 1 63 . ARG . 15471 1 64 . ILE . 15471 1 65 . THR . 15471 1 66 . SER . 15471 1 67 . ASP . 15471 1 68 . GLY . 15471 1 69 . VAL . 15471 1 70 . ILE . 15471 1 71 . VAL . 15471 1 72 . LEU . 15471 1 73 . LYS . 15471 1 74 . ALA . 15471 1 75 . GLN . 15471 1 76 . GLN . 15471 1 77 . TYR . 15471 1 78 . ARG . 15471 1 79 . THR . 15471 1 80 . GLN . 15471 1 81 . GLU . 15471 1 82 . GLN . 15471 1 83 . ASN . 15471 1 84 . ARG . 15471 1 85 . ALA . 15471 1 86 . ASP . 15471 1 87 . ALA . 15471 1 88 . LEU . 15471 1 89 . LEU . 15471 1 90 . ARG . 15471 1 91 . LEU . 15471 1 92 . SER . 15471 1 93 . GLU . 15471 1 94 . LEU . 15471 1 95 . ILE . 15471 1 96 . VAL . 15471 1 97 . ASN . 15471 1 98 . ALA . 15471 1 99 . ALA . 15471 1 100 . LYS . 15471 1 101 . LEU . 15471 1 102 . GLU . 15471 1 103 . HIS . 15471 1 104 . HIS . 15471 1 105 . HIS . 15471 1 106 . HIS . 15471 1 107 . HIS . 15471 1 108 . HIS . 15471 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 15471 1 . LEU 2 2 15471 1 . VAL 3 3 15471 1 . ILE 4 4 15471 1 . SER 5 5 15471 1 . ASN 6 6 15471 1 . ASN 7 7 15471 1 . VAL 8 8 15471 1 . HIS 9 9 15471 1 . LEU 10 10 15471 1 . PRO 11 11 15471 1 . ASP 12 12 15471 1 . ALA 13 13 15471 1 . GLU 14 14 15471 1 . ILE 15 15 15471 1 . GLU 16 16 15471 1 . LEU 17 17 15471 1 . THR 18 18 15471 1 . ALA 19 19 15471 1 . ILE 20 20 15471 1 . ARG 21 21 15471 1 . ALA 22 22 15471 1 . GLN 23 23 15471 1 . GLY 24 24 15471 1 . ALA 25 25 15471 1 . GLY 26 26 15471 1 . GLY 27 27 15471 1 . GLN 28 28 15471 1 . ASN 29 29 15471 1 . VAL 30 30 15471 1 . ASN 31 31 15471 1 . LYS 32 32 15471 1 . VAL 33 33 15471 1 . SER 34 34 15471 1 . SER 35 35 15471 1 . ALA 36 36 15471 1 . MET 37 37 15471 1 . HIS 38 38 15471 1 . LEU 39 39 15471 1 . ARG 40 40 15471 1 . PHE 41 41 15471 1 . ASP 42 42 15471 1 . ILE 43 43 15471 1 . ASN 44 44 15471 1 . ALA 45 45 15471 1 . SER 46 46 15471 1 . SER 47 47 15471 1 . LEU 48 48 15471 1 . PRO 49 49 15471 1 . PRO 50 50 15471 1 . PHE 51 51 15471 1 . TYR 52 52 15471 1 . LYS 53 53 15471 1 . GLU 54 54 15471 1 . ARG 55 55 15471 1 . LEU 56 56 15471 1 . LEU 57 57 15471 1 . ALA 58 58 15471 1 . LEU 59 59 15471 1 . ASN 60 60 15471 1 . ASP 61 61 15471 1 . SER 62 62 15471 1 . ARG 63 63 15471 1 . ILE 64 64 15471 1 . THR 65 65 15471 1 . SER 66 66 15471 1 . ASP 67 67 15471 1 . GLY 68 68 15471 1 . VAL 69 69 15471 1 . ILE 70 70 15471 1 . VAL 71 71 15471 1 . LEU 72 72 15471 1 . LYS 73 73 15471 1 . ALA 74 74 15471 1 . GLN 75 75 15471 1 . GLN 76 76 15471 1 . TYR 77 77 15471 1 . ARG 78 78 15471 1 . THR 79 79 15471 1 . GLN 80 80 15471 1 . GLU 81 81 15471 1 . GLN 82 82 15471 1 . ASN 83 83 15471 1 . ARG 84 84 15471 1 . ALA 85 85 15471 1 . ASP 86 86 15471 1 . ALA 87 87 15471 1 . LEU 88 88 15471 1 . LEU 89 89 15471 1 . ARG 90 90 15471 1 . LEU 91 91 15471 1 . SER 92 92 15471 1 . GLU 93 93 15471 1 . LEU 94 94 15471 1 . ILE 95 95 15471 1 . VAL 96 96 15471 1 . ASN 97 97 15471 1 . ALA 98 98 15471 1 . ALA 99 99 15471 1 . LYS 100 100 15471 1 . LEU 101 101 15471 1 . GLU 102 102 15471 1 . HIS 103 103 15471 1 . HIS 104 104 15471 1 . HIS 105 105 15471 1 . HIS 106 106 15471 1 . HIS 107 107 15471 1 . HIS 108 108 15471 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 15471 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 317 plasmid . 'Pseudomonas Syringae pv.tomato' 'Pseudomonas Syringae pv.tomato' . . Bacteria . Pseudomonas syringae . . . . . . . . . . . . . . . . . . . . . 15471 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 15471 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pEt21 . . . . . . 15471 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15471 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Peptidyl-tRNA hydrolase domain protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.28 . . mM . . . . 15471 1 2 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15471 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15471 1 4 NH4OAc 'natural abundance' . . . . . . 20 . . mM . . . . 15471 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15471 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15471 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15471 1 8 D2O . . . . . . . 5 . . % . . . . 15471 1 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 15471 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15471 1 pH 5.5 . pH 15471 1 pressure 1 . atm 15471 1 temperature 298 . K 15471 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15471 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15471 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15471 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15471 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15471 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15471 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15471 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15471 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15471 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15471 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15471 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15471 4 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15471 _Software.ID 5 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15471 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15471 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15471 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15471 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15471 6 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15471 _Software.ID 7 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15471 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15471 7 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15471 _Software.ID 8 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15471 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15471 8 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15471 _Software.ID 9 _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' . . 15471 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15471 9 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15471 _Software.ID 10 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15471 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15471 10 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 15471 _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 15471 _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 . . . 15471 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 15471 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 3 '4,3D GFT CABCACONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 4 '4,3D GFT HNNCABCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 5 '4,3D GFT HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 6 '3D HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 7 '4,3D GFT HABCABCONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 1 8 '3D sim NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15471 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 15471 _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 . . . . . . . . . 15471 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15471 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15471 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 15471 _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 1 '2D 1H-15N HSQC' . . . 15471 1 2 '2D 1H-13C HSQC' . . . 15471 1 3 '4,3D GFT CABCACONHN' . . . 15471 1 4 '4,3D GFT HNNCABCA' . . . 15471 1 5 '4,3D GFT HCCH COSY' . . . 15471 1 6 '3D HCCH COSY' . . . 15471 1 7 '4,3D GFT HABCABCONHN' . . . 15471 1 8 '3D sim NOESY' . . . 15471 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMRJ . . 15471 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.169 0.02 . 1 . . . . 1 MET HA . 15471 1 2 . 1 1 1 1 MET HB2 H 1 1.985 0.02 . 2 . . . . 1 MET HB2 . 15471 1 3 . 1 1 1 1 MET HB3 H 1 1.994 0.02 . 2 . . . . 1 MET HB3 . 15471 1 4 . 1 1 1 1 MET HE1 H 1 1.884 0.02 . 1 . . . . 1 MET QE . 15471 1 5 . 1 1 1 1 MET HE2 H 1 1.884 0.02 . 1 . . . . 1 MET QE . 15471 1 6 . 1 1 1 1 MET HE3 H 1 1.884 0.02 . 1 . . . . 1 MET QE . 15471 1 7 . 1 1 1 1 MET HG2 H 1 2.234 0.02 . 2 . . . . 1 MET HG2 . 15471 1 8 . 1 1 1 1 MET HG3 H 1 2.365 0.02 . 2 . . . . 1 MET HG3 . 15471 1 9 . 1 1 1 1 MET C C 13 171.449 0.02 . 1 . . . . 1 MET C . 15471 1 10 . 1 1 1 1 MET CA C 13 55.517 0.02 . 1 . . . . 1 MET CA . 15471 1 11 . 1 1 1 1 MET CB C 13 34.615 0.02 . 1 . . . . 1 MET CB . 15471 1 12 . 1 1 1 1 MET CE C 13 17.700 0.02 . 1 . . . . 1 MET CE . 15471 1 13 . 1 1 1 1 MET CG C 13 31.364 0.02 . 1 . . . . 1 MET CG . 15471 1 14 . 1 1 2 2 LEU H H 1 9.313 0.02 . 1 . . . . 2 LEU H . 15471 1 15 . 1 1 2 2 LEU HA H 1 4.648 0.02 . 1 . . . . 2 LEU HA . 15471 1 16 . 1 1 2 2 LEU HB2 H 1 1.691 0.02 . 2 . . . . 2 LEU HB2 . 15471 1 17 . 1 1 2 2 LEU HB3 H 1 1.318 0.02 . 2 . . . . 2 LEU HB3 . 15471 1 18 . 1 1 2 2 LEU HD11 H 1 0.867 0.02 . 2 . . . . 2 LEU QD1 . 15471 1 19 . 1 1 2 2 LEU HD12 H 1 0.867 0.02 . 2 . . . . 2 LEU QD1 . 15471 1 20 . 1 1 2 2 LEU HD13 H 1 0.867 0.02 . 2 . . . . 2 LEU QD1 . 15471 1 21 . 1 1 2 2 LEU HD21 H 1 0.678 0.02 . 2 . . . . 2 LEU QD2 . 15471 1 22 . 1 1 2 2 LEU HD22 H 1 0.678 0.02 . 2 . . . . 2 LEU QD2 . 15471 1 23 . 1 1 2 2 LEU HD23 H 1 0.678 0.02 . 2 . . . . 2 LEU QD2 . 15471 1 24 . 1 1 2 2 LEU HG H 1 1.271 0.02 . 1 . . . . 2 LEU HG . 15471 1 25 . 1 1 2 2 LEU C C 13 175.185 0.02 . 1 . . . . 2 LEU C . 15471 1 26 . 1 1 2 2 LEU CA C 13 54.827 0.02 . 1 . . . . 2 LEU CA . 15471 1 27 . 1 1 2 2 LEU CB C 13 44.262 0.02 . 1 . . . . 2 LEU CB . 15471 1 28 . 1 1 2 2 LEU CD1 C 13 24.948 0.02 . 1 . . . . 2 LEU CD1 . 15471 1 29 . 1 1 2 2 LEU CD2 C 13 26.800 0.02 . 1 . . . . 2 LEU CD2 . 15471 1 30 . 1 1 2 2 LEU CG C 13 28.152 0.02 . 1 . . . . 2 LEU CG . 15471 1 31 . 1 1 2 2 LEU N N 15 127.251 0.02 . 1 . . . . 2 LEU N . 15471 1 32 . 1 1 3 3 VAL H H 1 8.989 0.02 . 1 . . . . 3 VAL H . 15471 1 33 . 1 1 3 3 VAL HA H 1 3.850 0.02 . 1 . . . . 3 VAL HA . 15471 1 34 . 1 1 3 3 VAL HB H 1 1.958 0.02 . 1 . . . . 3 VAL HB . 15471 1 35 . 1 1 3 3 VAL HG11 H 1 0.718 0.02 . 2 . . . . 3 VAL QG1 . 15471 1 36 . 1 1 3 3 VAL HG12 H 1 0.718 0.02 . 2 . . . . 3 VAL QG1 . 15471 1 37 . 1 1 3 3 VAL HG13 H 1 0.718 0.02 . 2 . . . . 3 VAL QG1 . 15471 1 38 . 1 1 3 3 VAL HG21 H 1 0.656 0.02 . 2 . . . . 3 VAL QG2 . 15471 1 39 . 1 1 3 3 VAL HG22 H 1 0.656 0.02 . 2 . . . . 3 VAL QG2 . 15471 1 40 . 1 1 3 3 VAL HG23 H 1 0.656 0.02 . 2 . . . . 3 VAL QG2 . 15471 1 41 . 1 1 3 3 VAL C C 13 174.909 0.02 . 1 . . . . 3 VAL C . 15471 1 42 . 1 1 3 3 VAL CA C 13 64.330 0.02 . 1 . . . . 3 VAL CA . 15471 1 43 . 1 1 3 3 VAL CB C 13 32.339 0.02 . 1 . . . . 3 VAL CB . 15471 1 44 . 1 1 3 3 VAL CG1 C 13 21.680 0.02 . 1 . . . . 3 VAL CG1 . 15471 1 45 . 1 1 3 3 VAL CG2 C 13 21.844 0.02 . 1 . . . . 3 VAL CG2 . 15471 1 46 . 1 1 3 3 VAL N N 15 129.952 0.02 . 1 . . . . 3 VAL N . 15471 1 47 . 1 1 4 4 ILE H H 1 8.170 0.02 . 1 . . . . 4 ILE H . 15471 1 48 . 1 1 4 4 ILE HA H 1 4.047 0.02 . 1 . . . . 4 ILE HA . 15471 1 49 . 1 1 4 4 ILE HB H 1 1.798 0.02 . 1 . . . . 4 ILE HB . 15471 1 50 . 1 1 4 4 ILE HD11 H 1 0.588 0.02 . 1 . . . . 4 ILE QD1 . 15471 1 51 . 1 1 4 4 ILE HD12 H 1 0.588 0.02 . 1 . . . . 4 ILE QD1 . 15471 1 52 . 1 1 4 4 ILE HD13 H 1 0.588 0.02 . 1 . . . . 4 ILE QD1 . 15471 1 53 . 1 1 4 4 ILE HG12 H 1 1.276 0.02 . 2 . . . . 4 ILE HG12 . 15471 1 54 . 1 1 4 4 ILE HG13 H 1 1.074 0.02 . 2 . . . . 4 ILE HG13 . 15471 1 55 . 1 1 4 4 ILE HG21 H 1 0.742 0.02 . 1 . . . . 4 ILE QG2 . 15471 1 56 . 1 1 4 4 ILE HG22 H 1 0.742 0.02 . 1 . . . . 4 ILE QG2 . 15471 1 57 . 1 1 4 4 ILE HG23 H 1 0.742 0.02 . 1 . . . . 4 ILE QG2 . 15471 1 58 . 1 1 4 4 ILE C C 13 175.163 0.02 . 1 . . . . 4 ILE C . 15471 1 59 . 1 1 4 4 ILE CA C 13 61.490 0.02 . 1 . . . . 4 ILE CA . 15471 1 60 . 1 1 4 4 ILE CB C 13 37.983 0.02 . 1 . . . . 4 ILE CB . 15471 1 61 . 1 1 4 4 ILE CD1 C 13 12.147 0.02 . 1 . . . . 4 ILE CD1 . 15471 1 62 . 1 1 4 4 ILE CG1 C 13 28.430 0.02 . 1 . . . . 4 ILE CG1 . 15471 1 63 . 1 1 4 4 ILE CG2 C 13 18.054 0.02 . 1 . . . . 4 ILE CG2 . 15471 1 64 . 1 1 4 4 ILE N N 15 129.758 0.02 . 1 . . . . 4 ILE N . 15471 1 65 . 1 1 5 5 SER H H 1 8.471 0.02 . 1 . . . . 5 SER H . 15471 1 66 . 1 1 5 5 SER HA H 1 4.600 0.02 . 1 . . . . 5 SER HA . 15471 1 67 . 1 1 5 5 SER HB2 H 1 4.174 0.02 . 2 . . . . 5 SER HB2 . 15471 1 68 . 1 1 5 5 SER HB3 H 1 3.865 0.02 . 2 . . . . 5 SER HB3 . 15471 1 69 . 1 1 5 5 SER C C 13 173.635 0.02 . 1 . . . . 5 SER C . 15471 1 70 . 1 1 5 5 SER CA C 13 57.403 0.02 . 1 . . . . 5 SER CA . 15471 1 71 . 1 1 5 5 SER CB C 13 66.095 0.02 . 1 . . . . 5 SER CB . 15471 1 72 . 1 1 5 5 SER N N 15 114.822 0.02 . 1 . . . . 5 SER N . 15471 1 73 . 1 1 6 6 ASN H H 1 8.759 0.02 . 1 . . . . 6 ASN H . 15471 1 74 . 1 1 6 6 ASN HA H 1 4.491 0.02 . 1 . . . . 6 ASN HA . 15471 1 75 . 1 1 6 6 ASN HB2 H 1 2.813 0.02 . 2 . . . . 6 ASN HB2 . 15471 1 76 . 1 1 6 6 ASN HB3 H 1 2.815 0.02 . 2 . . . . 6 ASN HB3 . 15471 1 77 . 1 1 6 6 ASN HD21 H 1 7.616 0.02 . 2 . . . . 6 ASN HD21 . 15471 1 78 . 1 1 6 6 ASN HD22 H 1 6.930 0.02 . 2 . . . . 6 ASN HD22 . 15471 1 79 . 1 1 6 6 ASN C C 13 175.482 0.02 . 1 . . . . 6 ASN C . 15471 1 80 . 1 1 6 6 ASN CA C 13 56.694 0.02 . 1 . . . . 6 ASN CA . 15471 1 81 . 1 1 6 6 ASN CB C 13 38.520 0.02 . 1 . . . . 6 ASN CB . 15471 1 82 . 1 1 6 6 ASN N N 15 117.331 0.02 . 1 . . . . 6 ASN N . 15471 1 83 . 1 1 6 6 ASN ND2 N 15 113.615 0.02 . 1 . . . . 6 ASN ND2 . 15471 1 84 . 1 1 7 7 ASN H H 1 8.089 0.02 . 1 . . . . 7 ASN H . 15471 1 85 . 1 1 7 7 ASN HA H 1 4.763 0.02 . 1 . . . . 7 ASN HA . 15471 1 86 . 1 1 7 7 ASN HB2 H 1 2.837 0.02 . 2 . . . . 7 ASN HB2 . 15471 1 87 . 1 1 7 7 ASN HB3 H 1 2.727 0.02 . 2 . . . . 7 ASN HB3 . 15471 1 88 . 1 1 7 7 ASN HD21 H 1 7.561 0.02 . 2 . . . . 7 ASN HD21 . 15471 1 89 . 1 1 7 7 ASN HD22 H 1 6.917 0.02 . 2 . . . . 7 ASN HD22 . 15471 1 90 . 1 1 7 7 ASN C C 13 174.166 0.02 . 1 . . . . 7 ASN C . 15471 1 91 . 1 1 7 7 ASN CA C 13 53.821 0.02 . 1 . . . . 7 ASN CA . 15471 1 92 . 1 1 7 7 ASN CB C 13 40.564 0.02 . 1 . . . . 7 ASN CB . 15471 1 93 . 1 1 7 7 ASN N N 15 114.124 0.02 . 1 . . . . 7 ASN N . 15471 1 94 . 1 1 7 7 ASN ND2 N 15 113.316 0.02 . 1 . . . . 7 ASN ND2 . 15471 1 95 . 1 1 8 8 VAL H H 1 7.378 0.02 . 1 . . . . 8 VAL H . 15471 1 96 . 1 1 8 8 VAL HA H 1 4.169 0.02 . 1 . . . . 8 VAL HA . 15471 1 97 . 1 1 8 8 VAL HB H 1 1.843 0.02 . 1 . . . . 8 VAL HB . 15471 1 98 . 1 1 8 8 VAL HG11 H 1 0.602 0.02 . 2 . . . . 8 VAL QG1 . 15471 1 99 . 1 1 8 8 VAL HG12 H 1 0.602 0.02 . 2 . . . . 8 VAL QG1 . 15471 1 100 . 1 1 8 8 VAL HG13 H 1 0.602 0.02 . 2 . . . . 8 VAL QG1 . 15471 1 101 . 1 1 8 8 VAL HG21 H 1 0.486 0.02 . 2 . . . . 8 VAL QG2 . 15471 1 102 . 1 1 8 8 VAL HG22 H 1 0.486 0.02 . 2 . . . . 8 VAL QG2 . 15471 1 103 . 1 1 8 8 VAL HG23 H 1 0.486 0.02 . 2 . . . . 8 VAL QG2 . 15471 1 104 . 1 1 8 8 VAL C C 13 173.338 0.02 . 1 . . . . 8 VAL C . 15471 1 105 . 1 1 8 8 VAL CA C 13 63.064 0.02 . 1 . . . . 8 VAL CA . 15471 1 106 . 1 1 8 8 VAL CB C 13 33.763 0.02 . 1 . . . . 8 VAL CB . 15471 1 107 . 1 1 8 8 VAL CG1 C 13 21.659 0.02 . 1 . . . . 8 VAL CG1 . 15471 1 108 . 1 1 8 8 VAL CG2 C 13 21.935 0.02 . 1 . . . . 8 VAL CG2 . 15471 1 109 . 1 1 8 8 VAL N N 15 121.109 0.02 . 1 . . . . 8 VAL N . 15471 1 110 . 1 1 9 9 HIS H H 1 8.736 0.02 . 1 . . . . 9 HIS H . 15471 1 111 . 1 1 9 9 HIS HA H 1 5.324 0.02 . 1 . . . . 9 HIS HA . 15471 1 112 . 1 1 9 9 HIS HB2 H 1 3.100 0.02 . 2 . . . . 9 HIS HB2 . 15471 1 113 . 1 1 9 9 HIS HB3 H 1 3.157 0.02 . 2 . . . . 9 HIS HB3 . 15471 1 114 . 1 1 9 9 HIS HD2 H 1 7.203 0.02 . 1 . . . . 9 HIS HD2 . 15471 1 115 . 1 1 9 9 HIS C C 13 173.253 0.02 . 1 . . . . 9 HIS C . 15471 1 116 . 1 1 9 9 HIS CA C 13 53.293 0.02 . 1 . . . . 9 HIS CA . 15471 1 117 . 1 1 9 9 HIS CB C 13 32.381 0.02 . 1 . . . . 9 HIS CB . 15471 1 118 . 1 1 9 9 HIS CD2 C 13 119.284 0.02 . 1 . . . . 9 HIS CD2 . 15471 1 119 . 1 1 9 9 HIS N N 15 127.256 0.02 . 1 . . . . 9 HIS N . 15471 1 120 . 1 1 10 10 LEU H H 1 9.100 0.02 . 1 . . . . 10 LEU H . 15471 1 121 . 1 1 10 10 LEU HA H 1 4.998 0.02 . 1 . . . . 10 LEU HA . 15471 1 122 . 1 1 10 10 LEU HB2 H 1 1.591 0.02 . 2 . . . . 10 LEU HB2 . 15471 1 123 . 1 1 10 10 LEU HB3 H 1 1.466 0.02 . 2 . . . . 10 LEU HB3 . 15471 1 124 . 1 1 10 10 LEU HD11 H 1 0.708 0.02 . 2 . . . . 10 LEU QD1 . 15471 1 125 . 1 1 10 10 LEU HD12 H 1 0.708 0.02 . 2 . . . . 10 LEU QD1 . 15471 1 126 . 1 1 10 10 LEU HD13 H 1 0.708 0.02 . 2 . . . . 10 LEU QD1 . 15471 1 127 . 1 1 10 10 LEU HD21 H 1 0.901 0.02 . 2 . . . . 10 LEU QD2 . 15471 1 128 . 1 1 10 10 LEU HD22 H 1 0.901 0.02 . 2 . . . . 10 LEU QD2 . 15471 1 129 . 1 1 10 10 LEU HD23 H 1 0.901 0.02 . 2 . . . . 10 LEU QD2 . 15471 1 130 . 1 1 10 10 LEU HG H 1 1.454 0.02 . 1 . . . . 10 LEU HG . 15471 1 131 . 1 1 10 10 LEU CA C 13 52.071 0.02 . 1 . . . . 10 LEU CA . 15471 1 132 . 1 1 10 10 LEU CB C 13 44.508 0.02 . 1 . . . . 10 LEU CB . 15471 1 133 . 1 1 10 10 LEU CD1 C 13 26.857 0.02 . 1 . . . . 10 LEU CD1 . 15471 1 134 . 1 1 10 10 LEU CD2 C 13 24.268 0.02 . 1 . . . . 10 LEU CD2 . 15471 1 135 . 1 1 10 10 LEU CG C 13 27.541 0.02 . 1 . . . . 10 LEU CG . 15471 1 136 . 1 1 10 10 LEU N N 15 123.627 0.02 . 1 . . . . 10 LEU N . 15471 1 137 . 1 1 11 11 PRO HA H 1 4.537 0.02 . 1 . . . . 11 PRO HA . 15471 1 138 . 1 1 11 11 PRO HB2 H 1 1.942 0.02 . 2 . . . . 11 PRO HB2 . 15471 1 139 . 1 1 11 11 PRO HB3 H 1 2.450 0.02 . 2 . . . . 11 PRO HB3 . 15471 1 140 . 1 1 11 11 PRO HD2 H 1 3.927 0.02 . 2 . . . . 11 PRO HD2 . 15471 1 141 . 1 1 11 11 PRO HD3 H 1 3.692 0.02 . 2 . . . . 11 PRO HD3 . 15471 1 142 . 1 1 11 11 PRO HG2 H 1 2.032 0.02 . 2 . . . . 11 PRO HG2 . 15471 1 143 . 1 1 11 11 PRO HG3 H 1 2.126 0.02 . 2 . . . . 11 PRO HG3 . 15471 1 144 . 1 1 11 11 PRO C C 13 176.479 0.02 . 1 . . . . 11 PRO C . 15471 1 145 . 1 1 11 11 PRO CA C 13 63.291 0.02 . 1 . . . . 11 PRO CA . 15471 1 146 . 1 1 11 11 PRO CB C 13 33.374 0.02 . 1 . . . . 11 PRO CB . 15471 1 147 . 1 1 11 11 PRO CD C 13 51.750 0.02 . 1 . . . . 11 PRO CD . 15471 1 148 . 1 1 11 11 PRO CG C 13 28.800 0.02 . 1 . . . . 11 PRO CG . 15471 1 149 . 1 1 12 12 ASP H H 1 8.519 0.02 . 1 . . . . 12 ASP H . 15471 1 150 . 1 1 12 12 ASP HA H 1 4.152 0.02 . 1 . . . . 12 ASP HA . 15471 1 151 . 1 1 12 12 ASP HB2 H 1 2.520 0.02 . 2 . . . . 12 ASP HB2 . 15471 1 152 . 1 1 12 12 ASP HB3 H 1 2.714 0.02 . 2 . . . . 12 ASP HB3 . 15471 1 153 . 1 1 12 12 ASP C C 13 178.198 0.02 . 1 . . . . 12 ASP C . 15471 1 154 . 1 1 12 12 ASP CA C 13 58.258 0.02 . 1 . . . . 12 ASP CA . 15471 1 155 . 1 1 12 12 ASP CB C 13 40.925 0.02 . 1 . . . . 12 ASP CB . 15471 1 156 . 1 1 12 12 ASP N N 15 122.860 0.02 . 1 . . . . 12 ASP N . 15471 1 157 . 1 1 13 13 ALA H H 1 8.288 0.02 . 1 . . . . 13 ALA H . 15471 1 158 . 1 1 13 13 ALA HA H 1 4.187 0.02 . 1 . . . . 13 ALA HA . 15471 1 159 . 1 1 13 13 ALA HB1 H 1 1.446 0.02 . 1 . . . . 13 ALA QB . 15471 1 160 . 1 1 13 13 ALA HB2 H 1 1.446 0.02 . 1 . . . . 13 ALA QB . 15471 1 161 . 1 1 13 13 ALA HB3 H 1 1.446 0.02 . 1 . . . . 13 ALA QB . 15471 1 162 . 1 1 13 13 ALA C C 13 178.496 0.02 . 1 . . . . 13 ALA C . 15471 1 163 . 1 1 13 13 ALA CA C 13 54.618 0.02 . 1 . . . . 13 ALA CA . 15471 1 164 . 1 1 13 13 ALA CB C 13 19.513 0.02 . 1 . . . . 13 ALA CB . 15471 1 165 . 1 1 13 13 ALA N N 15 117.432 0.02 . 1 . . . . 13 ALA N . 15471 1 166 . 1 1 14 14 GLU H H 1 7.651 0.02 . 1 . . . . 14 GLU H . 15471 1 167 . 1 1 14 14 GLU HA H 1 4.177 0.02 . 1 . . . . 14 GLU HA . 15471 1 168 . 1 1 14 14 GLU HB2 H 1 2.039 0.02 . 2 . . . . 14 GLU HB2 . 15471 1 169 . 1 1 14 14 GLU HB3 H 1 2.570 0.02 . 2 . . . . 14 GLU HB3 . 15471 1 170 . 1 1 14 14 GLU HG2 H 1 2.341 0.02 . 2 . . . . 14 GLU HG2 . 15471 1 171 . 1 1 14 14 GLU HG3 H 1 2.342 0.02 . 2 . . . . 14 GLU HG3 . 15471 1 172 . 1 1 14 14 GLU C C 13 174.930 0.02 . 1 . . . . 14 GLU C . 15471 1 173 . 1 1 14 14 GLU CA C 13 58.242 0.02 . 1 . . . . 14 GLU CA . 15471 1 174 . 1 1 14 14 GLU CB C 13 30.280 0.02 . 1 . . . . 14 GLU CB . 15471 1 175 . 1 1 14 14 GLU CG C 13 38.150 0.02 . 1 . . . . 14 GLU CG . 15471 1 176 . 1 1 14 14 GLU N N 15 115.870 0.02 . 1 . . . . 14 GLU N . 15471 1 177 . 1 1 15 15 ILE H H 1 7.867 0.02 . 1 . . . . 15 ILE H . 15471 1 178 . 1 1 15 15 ILE HA H 1 4.397 0.02 . 1 . . . . 15 ILE HA . 15471 1 179 . 1 1 15 15 ILE HB H 1 1.873 0.02 . 1 . . . . 15 ILE HB . 15471 1 180 . 1 1 15 15 ILE HD11 H 1 0.715 0.02 . 1 . . . . 15 ILE QD1 . 15471 1 181 . 1 1 15 15 ILE HD12 H 1 0.715 0.02 . 1 . . . . 15 ILE QD1 . 15471 1 182 . 1 1 15 15 ILE HD13 H 1 0.715 0.02 . 1 . . . . 15 ILE QD1 . 15471 1 183 . 1 1 15 15 ILE HG12 H 1 0.761 0.02 . 2 . . . . 15 ILE HG12 . 15471 1 184 . 1 1 15 15 ILE HG13 H 1 1.482 0.02 . 2 . . . . 15 ILE HG13 . 15471 1 185 . 1 1 15 15 ILE HG21 H 1 0.768 0.02 . 1 . . . . 15 ILE QG2 . 15471 1 186 . 1 1 15 15 ILE HG22 H 1 0.768 0.02 . 1 . . . . 15 ILE QG2 . 15471 1 187 . 1 1 15 15 ILE HG23 H 1 0.768 0.02 . 1 . . . . 15 ILE QG2 . 15471 1 188 . 1 1 15 15 ILE C C 13 173.975 0.02 . 1 . . . . 15 ILE C . 15471 1 189 . 1 1 15 15 ILE CA C 13 62.063 0.02 . 1 . . . . 15 ILE CA . 15471 1 190 . 1 1 15 15 ILE CB C 13 40.864 0.02 . 1 . . . . 15 ILE CB . 15471 1 191 . 1 1 15 15 ILE CD1 C 13 16.365 0.02 . 1 . . . . 15 ILE CD1 . 15471 1 192 . 1 1 15 15 ILE CG1 C 13 29.190 0.02 . 1 . . . . 15 ILE CG1 . 15471 1 193 . 1 1 15 15 ILE CG2 C 13 20.366 0.02 . 1 . . . . 15 ILE CG2 . 15471 1 194 . 1 1 15 15 ILE N N 15 121.261 0.02 . 1 . . . . 15 ILE N . 15471 1 195 . 1 1 16 16 GLU H H 1 8.570 0.02 . 1 . . . . 16 GLU H . 15471 1 196 . 1 1 16 16 GLU HA H 1 4.633 0.02 . 1 . . . . 16 GLU HA . 15471 1 197 . 1 1 16 16 GLU HB2 H 1 2.160 0.02 . 2 . . . . 16 GLU HB2 . 15471 1 198 . 1 1 16 16 GLU HB3 H 1 2.143 0.02 . 2 . . . . 16 GLU HB3 . 15471 1 199 . 1 1 16 16 GLU HG2 H 1 2.241 0.02 . 2 . . . . 16 GLU HG2 . 15471 1 200 . 1 1 16 16 GLU HG3 H 1 2.115 0.02 . 2 . . . . 16 GLU HG3 . 15471 1 201 . 1 1 16 16 GLU C C 13 175.248 0.02 . 1 . . . . 16 GLU C . 15471 1 202 . 1 1 16 16 GLU CA C 13 56.301 0.02 . 1 . . . . 16 GLU CA . 15471 1 203 . 1 1 16 16 GLU CB C 13 31.817 0.02 . 1 . . . . 16 GLU CB . 15471 1 204 . 1 1 16 16 GLU CG C 13 36.864 0.02 . 1 . . . . 16 GLU CG . 15471 1 205 . 1 1 16 16 GLU N N 15 127.368 0.02 . 1 . . . . 16 GLU N . 15471 1 206 . 1 1 17 17 LEU H H 1 8.965 0.02 . 1 . . . . 17 LEU H . 15471 1 207 . 1 1 17 17 LEU HA H 1 5.482 0.02 . 1 . . . . 17 LEU HA . 15471 1 208 . 1 1 17 17 LEU HB2 H 1 1.702 0.02 . 2 . . . . 17 LEU HB2 . 15471 1 209 . 1 1 17 17 LEU HB3 H 1 1.423 0.02 . 2 . . . . 17 LEU HB3 . 15471 1 210 . 1 1 17 17 LEU HD11 H 1 0.866 0.02 . 2 . . . . 17 LEU QD1 . 15471 1 211 . 1 1 17 17 LEU HD12 H 1 0.866 0.02 . 2 . . . . 17 LEU QD1 . 15471 1 212 . 1 1 17 17 LEU HD13 H 1 0.866 0.02 . 2 . . . . 17 LEU QD1 . 15471 1 213 . 1 1 17 17 LEU HD21 H 1 0.872 0.02 . 2 . . . . 17 LEU QD2 . 15471 1 214 . 1 1 17 17 LEU HD22 H 1 0.872 0.02 . 2 . . . . 17 LEU QD2 . 15471 1 215 . 1 1 17 17 LEU HD23 H 1 0.872 0.02 . 2 . . . . 17 LEU QD2 . 15471 1 216 . 1 1 17 17 LEU HG H 1 1.552 0.02 . 1 . . . . 17 LEU HG . 15471 1 217 . 1 1 17 17 LEU C C 13 176.118 0.02 . 1 . . . . 17 LEU C . 15471 1 218 . 1 1 17 17 LEU CA C 13 54.612 0.02 . 1 . . . . 17 LEU CA . 15471 1 219 . 1 1 17 17 LEU CB C 13 45.256 0.02 . 1 . . . . 17 LEU CB . 15471 1 220 . 1 1 17 17 LEU CD1 C 13 26.200 0.02 . 1 . . . . 17 LEU CD1 . 15471 1 221 . 1 1 17 17 LEU CD2 C 13 26.403 0.02 . 1 . . . . 17 LEU CD2 . 15471 1 222 . 1 1 17 17 LEU CG C 13 28.738 0.02 . 1 . . . . 17 LEU CG . 15471 1 223 . 1 1 17 17 LEU N N 15 132.148 0.02 . 1 . . . . 17 LEU N . 15471 1 224 . 1 1 18 18 THR H H 1 9.082 0.02 . 1 . . . . 18 THR H . 15471 1 225 . 1 1 18 18 THR HA H 1 4.637 0.02 . 1 . . . . 18 THR HA . 15471 1 226 . 1 1 18 18 THR HB H 1 4.071 0.02 . 1 . . . . 18 THR HB . 15471 1 227 . 1 1 18 18 THR HG21 H 1 1.211 0.02 . 1 . . . . 18 THR QG2 . 15471 1 228 . 1 1 18 18 THR HG22 H 1 1.211 0.02 . 1 . . . . 18 THR QG2 . 15471 1 229 . 1 1 18 18 THR HG23 H 1 1.211 0.02 . 1 . . . . 18 THR QG2 . 15471 1 230 . 1 1 18 18 THR C C 13 172.404 0.02 . 1 . . . . 18 THR C . 15471 1 231 . 1 1 18 18 THR CA C 13 60.881 0.02 . 1 . . . . 18 THR CA . 15471 1 232 . 1 1 18 18 THR CB C 13 72.932 0.02 . 1 . . . . 18 THR CB . 15471 1 233 . 1 1 18 18 THR CG2 C 13 22.768 0.02 . 1 . . . . 18 THR CG2 . 15471 1 234 . 1 1 18 18 THR N N 15 117.637 0.02 . 1 . . . . 18 THR N . 15471 1 235 . 1 1 19 19 ALA H H 1 8.633 0.02 . 1 . . . . 19 ALA H . 15471 1 236 . 1 1 19 19 ALA HA H 1 5.015 0.02 . 1 . . . . 19 ALA HA . 15471 1 237 . 1 1 19 19 ALA HB1 H 1 1.372 0.02 . 1 . . . . 19 ALA QB . 15471 1 238 . 1 1 19 19 ALA HB2 H 1 1.372 0.02 . 1 . . . . 19 ALA QB . 15471 1 239 . 1 1 19 19 ALA HB3 H 1 1.372 0.02 . 1 . . . . 19 ALA QB . 15471 1 240 . 1 1 19 19 ALA C C 13 177.986 0.02 . 1 . . . . 19 ALA C . 15471 1 241 . 1 1 19 19 ALA CA C 13 53.022 0.02 . 1 . . . . 19 ALA CA . 15471 1 242 . 1 1 19 19 ALA CB C 13 20.169 0.02 . 1 . . . . 19 ALA CB . 15471 1 243 . 1 1 19 19 ALA N N 15 128.333 0.02 . 1 . . . . 19 ALA N . 15471 1 244 . 1 1 20 20 ILE H H 1 8.063 0.02 . 1 . . . . 20 ILE H . 15471 1 245 . 1 1 20 20 ILE HA H 1 4.061 0.02 . 1 . . . . 20 ILE HA . 15471 1 246 . 1 1 20 20 ILE HB H 1 1.624 0.02 . 1 . . . . 20 ILE HB . 15471 1 247 . 1 1 20 20 ILE HD11 H 1 0.639 0.02 . 1 . . . . 20 ILE QD1 . 15471 1 248 . 1 1 20 20 ILE HD12 H 1 0.639 0.02 . 1 . . . . 20 ILE QD1 . 15471 1 249 . 1 1 20 20 ILE HD13 H 1 0.639 0.02 . 1 . . . . 20 ILE QD1 . 15471 1 250 . 1 1 20 20 ILE HG12 H 1 1.300 0.02 . 2 . . . . 20 ILE HG12 . 15471 1 251 . 1 1 20 20 ILE HG13 H 1 0.916 0.02 . 2 . . . . 20 ILE HG13 . 15471 1 252 . 1 1 20 20 ILE HG21 H 1 0.800 0.02 . 1 . . . . 20 ILE QG2 . 15471 1 253 . 1 1 20 20 ILE HG22 H 1 0.800 0.02 . 1 . . . . 20 ILE QG2 . 15471 1 254 . 1 1 20 20 ILE HG23 H 1 0.800 0.02 . 1 . . . . 20 ILE QG2 . 15471 1 255 . 1 1 20 20 ILE C C 13 175.673 0.02 . 1 . . . . 20 ILE C . 15471 1 256 . 1 1 20 20 ILE CA C 13 61.840 0.02 . 1 . . . . 20 ILE CA . 15471 1 257 . 1 1 20 20 ILE CB C 13 39.351 0.02 . 1 . . . . 20 ILE CB . 15471 1 258 . 1 1 20 20 ILE CD1 C 13 13.555 0.02 . 1 . . . . 20 ILE CD1 . 15471 1 259 . 1 1 20 20 ILE CG1 C 13 28.420 0.02 . 1 . . . . 20 ILE CG1 . 15471 1 260 . 1 1 20 20 ILE CG2 C 13 17.947 0.02 . 1 . . . . 20 ILE CG2 . 15471 1 261 . 1 1 20 20 ILE N N 15 123.059 0.02 . 1 . . . . 20 ILE N . 15471 1 262 . 1 1 21 21 ARG H H 1 8.539 0.02 . 1 . . . . 21 ARG H . 15471 1 263 . 1 1 21 21 ARG HA H 1 4.396 0.02 . 1 . . . . 21 ARG HA . 15471 1 264 . 1 1 21 21 ARG HB2 H 1 1.739 0.02 . 2 . . . . 21 ARG HB2 . 15471 1 265 . 1 1 21 21 ARG HB3 H 1 1.827 0.02 . 2 . . . . 21 ARG HB3 . 15471 1 266 . 1 1 21 21 ARG HD2 H 1 3.194 0.02 . 2 . . . . 21 ARG HD2 . 15471 1 267 . 1 1 21 21 ARG HD3 H 1 3.193 0.02 . 2 . . . . 21 ARG HD3 . 15471 1 268 . 1 1 21 21 ARG HG2 H 1 1.647 0.02 . 2 . . . . 21 ARG HG2 . 15471 1 269 . 1 1 21 21 ARG HG3 H 1 1.623 0.02 . 2 . . . . 21 ARG HG3 . 15471 1 270 . 1 1 21 21 ARG C C 13 175.567 0.02 . 1 . . . . 21 ARG C . 15471 1 271 . 1 1 21 21 ARG CA C 13 56.718 0.02 . 1 . . . . 21 ARG CA . 15471 1 272 . 1 1 21 21 ARG CB C 13 31.688 0.02 . 1 . . . . 21 ARG CB . 15471 1 273 . 1 1 21 21 ARG CD C 13 44.160 0.02 . 1 . . . . 21 ARG CD . 15471 1 274 . 1 1 21 21 ARG CG C 13 28.028 0.02 . 1 . . . . 21 ARG CG . 15471 1 275 . 1 1 21 21 ARG N N 15 127.728 0.02 . 1 . . . . 21 ARG N . 15471 1 276 . 1 1 22 22 ALA H H 1 8.451 0.02 . 1 . . . . 22 ALA H . 15471 1 277 . 1 1 22 22 ALA HA H 1 4.305 0.02 . 1 . . . . 22 ALA HA . 15471 1 278 . 1 1 22 22 ALA HB1 H 1 1.348 0.02 . 1 . . . . 22 ALA QB . 15471 1 279 . 1 1 22 22 ALA HB2 H 1 1.348 0.02 . 1 . . . . 22 ALA QB . 15471 1 280 . 1 1 22 22 ALA HB3 H 1 1.348 0.02 . 1 . . . . 22 ALA QB . 15471 1 281 . 1 1 22 22 ALA C C 13 177.031 0.02 . 1 . . . . 22 ALA C . 15471 1 282 . 1 1 22 22 ALA CA C 13 52.958 0.02 . 1 . . . . 22 ALA CA . 15471 1 283 . 1 1 22 22 ALA CB C 13 20.318 0.02 . 1 . . . . 22 ALA CB . 15471 1 284 . 1 1 22 22 ALA N N 15 127.212 0.02 . 1 . . . . 22 ALA N . 15471 1 285 . 1 1 23 23 GLN H H 1 8.461 0.02 . 1 . . . . 23 GLN H . 15471 1 286 . 1 1 23 23 GLN HA H 1 4.369 0.02 . 1 . . . . 23 GLN HA . 15471 1 287 . 1 1 23 23 GLN HB2 H 1 1.978 0.02 . 2 . . . . 23 GLN HB2 . 15471 1 288 . 1 1 23 23 GLN HB3 H 1 2.088 0.02 . 2 . . . . 23 GLN HB3 . 15471 1 289 . 1 1 23 23 GLN HE21 H 1 7.531 0.02 . 2 . . . . 23 GLN HE21 . 15471 1 290 . 1 1 23 23 GLN HE22 H 1 6.856 0.02 . 2 . . . . 23 GLN HE22 . 15471 1 291 . 1 1 23 23 GLN HG2 H 1 2.367 0.02 . 2 . . . . 23 GLN HG2 . 15471 1 292 . 1 1 23 23 GLN HG3 H 1 2.371 0.02 . 2 . . . . 23 GLN HG3 . 15471 1 293 . 1 1 23 23 GLN C C 13 176.309 0.02 . 1 . . . . 23 GLN C . 15471 1 294 . 1 1 23 23 GLN CA C 13 56.650 0.02 . 1 . . . . 23 GLN CA . 15471 1 295 . 1 1 23 23 GLN CB C 13 30.643 0.02 . 1 . . . . 23 GLN CB . 15471 1 296 . 1 1 23 23 GLN CG C 13 34.620 0.02 . 1 . . . . 23 GLN CG . 15471 1 297 . 1 1 23 23 GLN N N 15 121.099 0.02 . 1 . . . . 23 GLN N . 15471 1 298 . 1 1 24 24 GLY H H 1 8.477 0.02 . 1 . . . . 24 GLY H . 15471 1 299 . 1 1 24 24 GLY HA2 H 1 3.964 0.02 . 2 . . . . 24 GLY HA2 . 15471 1 300 . 1 1 24 24 GLY HA3 H 1 3.974 0.02 . 2 . . . . 24 GLY HA3 . 15471 1 301 . 1 1 24 24 GLY C C 13 173.720 0.02 . 1 . . . . 24 GLY C . 15471 1 302 . 1 1 24 24 GLY CA C 13 46.024 0.02 . 1 . . . . 24 GLY CA . 15471 1 303 . 1 1 24 24 GLY N N 15 111.339 0.02 . 1 . . . . 24 GLY N . 15471 1 304 . 1 1 25 25 ALA H H 1 8.296 0.02 . 1 . . . . 25 ALA H . 15471 1 305 . 1 1 25 25 ALA HA H 1 4.351 0.02 . 1 . . . . 25 ALA HA . 15471 1 306 . 1 1 25 25 ALA HB1 H 1 1.384 0.02 . 1 . . . . 25 ALA QB . 15471 1 307 . 1 1 25 25 ALA HB2 H 1 1.384 0.02 . 1 . . . . 25 ALA QB . 15471 1 308 . 1 1 25 25 ALA HB3 H 1 1.384 0.02 . 1 . . . . 25 ALA QB . 15471 1 309 . 1 1 25 25 ALA C C 13 178.262 0.02 . 1 . . . . 25 ALA C . 15471 1 310 . 1 1 25 25 ALA CA C 13 53.511 0.02 . 1 . . . . 25 ALA CA . 15471 1 311 . 1 1 25 25 ALA CB C 13 20.065 0.02 . 1 . . . . 25 ALA CB . 15471 1 312 . 1 1 25 25 ALA N N 15 124.782 0.02 . 1 . . . . 25 ALA N . 15471 1 313 . 1 1 26 26 GLY H H 1 8.512 0.02 . 1 . . . . 26 GLY H . 15471 1 314 . 1 1 26 26 GLY HA2 H 1 3.953 0.02 . 2 . . . . 26 GLY HA2 . 15471 1 315 . 1 1 26 26 GLY HA3 H 1 3.979 0.02 . 2 . . . . 26 GLY HA3 . 15471 1 316 . 1 1 26 26 GLY C C 13 174.739 0.02 . 1 . . . . 26 GLY C . 15471 1 317 . 1 1 26 26 GLY CA C 13 46.361 0.02 . 1 . . . . 26 GLY CA . 15471 1 318 . 1 1 26 26 GLY N N 15 109.266 0.02 . 1 . . . . 26 GLY N . 15471 1 319 . 1 1 27 27 GLY H H 1 8.286 0.02 . 1 . . . . 27 GLY H . 15471 1 320 . 1 1 27 27 GLY HA2 H 1 3.926 0.02 . 2 . . . . 27 GLY HA2 . 15471 1 321 . 1 1 27 27 GLY HA3 H 1 3.962 0.02 . 2 . . . . 27 GLY HA3 . 15471 1 322 . 1 1 27 27 GLY C C 13 174.314 0.02 . 1 . . . . 27 GLY C . 15471 1 323 . 1 1 27 27 GLY CA C 13 46.253 0.02 . 1 . . . . 27 GLY CA . 15471 1 324 . 1 1 27 27 GLY N N 15 109.398 0.02 . 1 . . . . 27 GLY N . 15471 1 325 . 1 1 28 28 GLN H H 1 8.283 0.02 . 1 . . . . 28 GLN H . 15471 1 326 . 1 1 28 28 GLN HA H 1 4.307 0.02 . 1 . . . . 28 GLN HA . 15471 1 327 . 1 1 28 28 GLN HB2 H 1 1.998 0.02 . 2 . . . . 28 GLN HB2 . 15471 1 328 . 1 1 28 28 GLN HB3 H 1 2.117 0.02 . 2 . . . . 28 GLN HB3 . 15471 1 329 . 1 1 28 28 GLN HE21 H 1 7.528 0.02 . 2 . . . . 28 GLN HE21 . 15471 1 330 . 1 1 28 28 GLN HE22 H 1 7.070 0.02 . 2 . . . . 28 GLN HE22 . 15471 1 331 . 1 1 28 28 GLN HG2 H 1 2.349 0.02 . 2 . . . . 28 GLN HG2 . 15471 1 332 . 1 1 28 28 GLN HG3 H 1 2.377 0.02 . 2 . . . . 28 GLN HG3 . 15471 1 333 . 1 1 28 28 GLN C C 13 175.758 0.02 . 1 . . . . 28 GLN C . 15471 1 334 . 1 1 28 28 GLN CA C 13 57.000 0.02 . 1 . . . . 28 GLN CA . 15471 1 335 . 1 1 28 28 GLN CB C 13 30.123 0.02 . 1 . . . . 28 GLN CB . 15471 1 336 . 1 1 28 28 GLN CG C 13 34.566 0.02 . 1 . . . . 28 GLN CG . 15471 1 337 . 1 1 28 28 GLN N N 15 120.332 0.02 . 1 . . . . 28 GLN N . 15471 1 338 . 1 1 29 29 ASN H H 1 8.486 0.02 . 1 . . . . 29 ASN H . 15471 1 339 . 1 1 29 29 ASN HA H 1 4.702 0.02 . 1 . . . . 29 ASN HA . 15471 1 340 . 1 1 29 29 ASN HB2 H 1 2.767 0.02 . 2 . . . . 29 ASN HB2 . 15471 1 341 . 1 1 29 29 ASN HB3 H 1 2.858 0.02 . 2 . . . . 29 ASN HB3 . 15471 1 342 . 1 1 29 29 ASN HD21 H 1 7.595 0.02 . 2 . . . . 29 ASN HD21 . 15471 1 343 . 1 1 29 29 ASN HD22 H 1 6.932 0.02 . 2 . . . . 29 ASN HD22 . 15471 1 344 . 1 1 29 29 ASN C C 13 175.269 0.02 . 1 . . . . 29 ASN C . 15471 1 345 . 1 1 29 29 ASN CA C 13 54.353 0.02 . 1 . . . . 29 ASN CA . 15471 1 346 . 1 1 29 29 ASN CB C 13 39.458 0.02 . 1 . . . . 29 ASN CB . 15471 1 347 . 1 1 29 29 ASN N N 15 119.846 0.02 . 1 . . . . 29 ASN N . 15471 1 348 . 1 1 29 29 ASN ND2 N 15 113.862 0.02 . 1 . . . . 29 ASN ND2 . 15471 1 349 . 1 1 30 30 VAL H H 1 7.982 0.02 . 1 . . . . 30 VAL H . 15471 1 350 . 1 1 30 30 VAL HA H 1 4.082 0.02 . 1 . . . . 30 VAL HA . 15471 1 351 . 1 1 30 30 VAL HB H 1 2.106 0.02 . 1 . . . . 30 VAL HB . 15471 1 352 . 1 1 30 30 VAL HG11 H 1 0.918 0.02 . 2 . . . . 30 VAL QG1 . 15471 1 353 . 1 1 30 30 VAL HG12 H 1 0.918 0.02 . 2 . . . . 30 VAL QG1 . 15471 1 354 . 1 1 30 30 VAL HG13 H 1 0.918 0.02 . 2 . . . . 30 VAL QG1 . 15471 1 355 . 1 1 30 30 VAL HG21 H 1 0.896 0.02 . 2 . . . . 30 VAL QG2 . 15471 1 356 . 1 1 30 30 VAL HG22 H 1 0.896 0.02 . 2 . . . . 30 VAL QG2 . 15471 1 357 . 1 1 30 30 VAL HG23 H 1 0.896 0.02 . 2 . . . . 30 VAL QG2 . 15471 1 358 . 1 1 30 30 VAL C C 13 175.694 0.02 . 1 . . . . 30 VAL C . 15471 1 359 . 1 1 30 30 VAL CA C 13 63.453 0.02 . 1 . . . . 30 VAL CA . 15471 1 360 . 1 1 30 30 VAL CB C 13 33.273 0.02 . 1 . . . . 30 VAL CB . 15471 1 361 . 1 1 30 30 VAL CG1 C 13 21.795 0.02 . 1 . . . . 30 VAL CG1 . 15471 1 362 . 1 1 30 30 VAL CG2 C 13 20.973 0.02 . 1 . . . . 30 VAL CG2 . 15471 1 363 . 1 1 30 30 VAL N N 15 119.956 0.02 . 1 . . . . 30 VAL N . 15471 1 364 . 1 1 31 31 ASN H H 1 8.449 0.02 . 1 . . . . 31 ASN H . 15471 1 365 . 1 1 31 31 ASN HA H 1 4.708 0.02 . 1 . . . . 31 ASN HA . 15471 1 366 . 1 1 31 31 ASN HB2 H 1 2.757 0.02 . 2 . . . . 31 ASN HB2 . 15471 1 367 . 1 1 31 31 ASN HB3 H 1 2.854 0.02 . 2 . . . . 31 ASN HB3 . 15471 1 368 . 1 1 31 31 ASN HD21 H 1 7.617 0.02 . 2 . . . . 31 ASN HD21 . 15471 1 369 . 1 1 31 31 ASN HD22 H 1 6.969 0.02 . 2 . . . . 31 ASN HD22 . 15471 1 370 . 1 1 31 31 ASN C C 13 174.845 0.02 . 1 . . . . 31 ASN C . 15471 1 371 . 1 1 31 31 ASN CA C 13 54.250 0.02 . 1 . . . . 31 ASN CA . 15471 1 372 . 1 1 31 31 ASN CB C 13 39.466 0.02 . 1 . . . . 31 ASN CB . 15471 1 373 . 1 1 31 31 ASN N N 15 121.701 0.02 . 1 . . . . 31 ASN N . 15471 1 374 . 1 1 31 31 ASN ND2 N 15 113.862 0.02 . 1 . . . . 31 ASN ND2 . 15471 1 375 . 1 1 32 32 LYS H H 1 8.084 0.02 . 1 . . . . 32 LYS H . 15471 1 376 . 1 1 32 32 LYS HA H 1 4.346 0.02 . 1 . . . . 32 LYS HA . 15471 1 377 . 1 1 32 32 LYS HB2 H 1 1.852 0.02 . 2 . . . . 32 LYS HB2 . 15471 1 378 . 1 1 32 32 LYS HB3 H 1 1.744 0.02 . 2 . . . . 32 LYS HB3 . 15471 1 379 . 1 1 32 32 LYS HD2 H 1 1.680 0.02 . 2 . . . . 32 LYS HD2 . 15471 1 380 . 1 1 32 32 LYS HD3 H 1 1.680 0.02 . 2 . . . . 32 LYS HD3 . 15471 1 381 . 1 1 32 32 LYS HE2 H 1 2.990 0.02 . 2 . . . . 32 LYS HE2 . 15471 1 382 . 1 1 32 32 LYS HE3 H 1 2.990 0.02 . 2 . . . . 32 LYS HE3 . 15471 1 383 . 1 1 32 32 LYS HG2 H 1 1.446 0.02 . 2 . . . . 32 LYS HG2 . 15471 1 384 . 1 1 32 32 LYS HG3 H 1 1.386 0.02 . 2 . . . . 32 LYS HG3 . 15471 1 385 . 1 1 32 32 LYS C C 13 176.118 0.02 . 1 . . . . 32 LYS C . 15471 1 386 . 1 1 32 32 LYS CA C 13 57.129 0.02 . 1 . . . . 32 LYS CA . 15471 1 387 . 1 1 32 32 LYS CB C 13 34.071 0.02 . 1 . . . . 32 LYS CB . 15471 1 388 . 1 1 32 32 LYS CD C 13 30.228 0.02 . 1 . . . . 32 LYS CD . 15471 1 389 . 1 1 32 32 LYS CE C 13 43.013 0.02 . 1 . . . . 32 LYS CE . 15471 1 390 . 1 1 32 32 LYS CG C 13 25.645 0.02 . 1 . . . . 32 LYS CG . 15471 1 391 . 1 1 32 32 LYS N N 15 121.944 0.02 . 1 . . . . 32 LYS N . 15471 1 392 . 1 1 33 33 VAL H H 1 8.147 0.02 . 1 . . . . 33 VAL H . 15471 1 393 . 1 1 33 33 VAL HA H 1 4.185 0.02 . 1 . . . . 33 VAL HA . 15471 1 394 . 1 1 33 33 VAL HB H 1 2.097 0.02 . 1 . . . . 33 VAL HB . 15471 1 395 . 1 1 33 33 VAL HG11 H 1 0.950 0.02 . 2 . . . . 33 VAL QG1 . 15471 1 396 . 1 1 33 33 VAL HG12 H 1 0.950 0.02 . 2 . . . . 33 VAL QG1 . 15471 1 397 . 1 1 33 33 VAL HG13 H 1 0.950 0.02 . 2 . . . . 33 VAL QG1 . 15471 1 398 . 1 1 33 33 VAL HG21 H 1 0.953 0.02 . 2 . . . . 33 VAL QG2 . 15471 1 399 . 1 1 33 33 VAL HG22 H 1 0.953 0.02 . 2 . . . . 33 VAL QG2 . 15471 1 400 . 1 1 33 33 VAL HG23 H 1 0.953 0.02 . 2 . . . . 33 VAL QG2 . 15471 1 401 . 1 1 33 33 VAL C C 13 175.991 0.02 . 1 . . . . 33 VAL C . 15471 1 402 . 1 1 33 33 VAL CA C 13 63.049 0.02 . 1 . . . . 33 VAL CA . 15471 1 403 . 1 1 33 33 VAL CB C 13 33.617 0.02 . 1 . . . . 33 VAL CB . 15471 1 404 . 1 1 33 33 VAL CG1 C 13 21.834 0.02 . 1 . . . . 33 VAL CG1 . 15471 1 405 . 1 1 33 33 VAL CG2 C 13 21.311 0.02 . 1 . . . . 33 VAL CG2 . 15471 1 406 . 1 1 33 33 VAL N N 15 121.320 0.02 . 1 . . . . 33 VAL N . 15471 1 407 . 1 1 34 34 SER H H 1 8.476 0.02 . 1 . . . . 34 SER H . 15471 1 408 . 1 1 34 34 SER HA H 1 4.633 0.02 . 1 . . . . 34 SER HA . 15471 1 409 . 1 1 34 34 SER HB2 H 1 3.851 0.02 . 2 . . . . 34 SER HB2 . 15471 1 410 . 1 1 34 34 SER HB3 H 1 3.985 0.02 . 2 . . . . 34 SER HB3 . 15471 1 411 . 1 1 34 34 SER C C 13 173.996 0.02 . 1 . . . . 34 SER C . 15471 1 412 . 1 1 34 34 SER CA C 13 58.737 0.02 . 1 . . . . 34 SER CA . 15471 1 413 . 1 1 34 34 SER CB C 13 65.013 0.02 . 1 . . . . 34 SER CB . 15471 1 414 . 1 1 34 34 SER N N 15 121.408 0.02 . 1 . . . . 34 SER N . 15471 1 415 . 1 1 35 35 SER H H 1 8.445 0.02 . 1 . . . . 35 SER H . 15471 1 416 . 1 1 35 35 SER HA H 1 4.451 0.02 . 1 . . . . 35 SER HA . 15471 1 417 . 1 1 35 35 SER HB2 H 1 3.713 0.02 . 2 . . . . 35 SER HB2 . 15471 1 418 . 1 1 35 35 SER HB3 H 1 3.631 0.02 . 2 . . . . 35 SER HB3 . 15471 1 419 . 1 1 35 35 SER C C 13 173.975 0.02 . 1 . . . . 35 SER C . 15471 1 420 . 1 1 35 35 SER CA C 13 59.234 0.02 . 1 . . . . 35 SER CA . 15471 1 421 . 1 1 35 35 SER CB C 13 64.750 0.02 . 1 . . . . 35 SER CB . 15471 1 422 . 1 1 35 35 SER N N 15 117.704 0.02 . 1 . . . . 35 SER N . 15471 1 423 . 1 1 36 36 ALA H H 1 8.017 0.02 . 1 . . . . 36 ALA H . 15471 1 424 . 1 1 36 36 ALA HA H 1 4.580 0.02 . 1 . . . . 36 ALA HA . 15471 1 425 . 1 1 36 36 ALA HB1 H 1 1.374 0.02 . 1 . . . . 36 ALA QB . 15471 1 426 . 1 1 36 36 ALA HB2 H 1 1.374 0.02 . 1 . . . . 36 ALA QB . 15471 1 427 . 1 1 36 36 ALA HB3 H 1 1.374 0.02 . 1 . . . . 36 ALA QB . 15471 1 428 . 1 1 36 36 ALA C C 13 176.713 0.02 . 1 . . . . 36 ALA C . 15471 1 429 . 1 1 36 36 ALA CA C 13 53.448 0.02 . 1 . . . . 36 ALA CA . 15471 1 430 . 1 1 36 36 ALA CB C 13 21.659 0.02 . 1 . . . . 36 ALA CB . 15471 1 431 . 1 1 36 36 ALA N N 15 126.279 0.02 . 1 . . . . 36 ALA N . 15471 1 432 . 1 1 37 37 MET H H 1 8.513 0.02 . 1 . . . . 37 MET H . 15471 1 433 . 1 1 37 37 MET HA H 1 5.436 0.02 . 1 . . . . 37 MET HA . 15471 1 434 . 1 1 37 37 MET HB2 H 1 1.699 0.02 . 2 . . . . 37 MET HB2 . 15471 1 435 . 1 1 37 37 MET HB3 H 1 1.796 0.02 . 2 . . . . 37 MET HB3 . 15471 1 436 . 1 1 37 37 MET HE1 H 1 1.858 0.02 . 1 . . . . 37 MET QE . 15471 1 437 . 1 1 37 37 MET HE2 H 1 1.858 0.02 . 1 . . . . 37 MET QE . 15471 1 438 . 1 1 37 37 MET HE3 H 1 1.858 0.02 . 1 . . . . 37 MET QE . 15471 1 439 . 1 1 37 37 MET HG2 H 1 2.556 0.02 . 2 . . . . 37 MET HG2 . 15471 1 440 . 1 1 37 37 MET HG3 H 1 2.478 0.02 . 2 . . . . 37 MET HG3 . 15471 1 441 . 1 1 37 37 MET C C 13 173.911 0.02 . 1 . . . . 37 MET C . 15471 1 442 . 1 1 37 37 MET CA C 13 53.414 0.02 . 1 . . . . 37 MET CA . 15471 1 443 . 1 1 37 37 MET CB C 13 35.962 0.02 . 1 . . . . 37 MET CB . 15471 1 444 . 1 1 37 37 MET CE C 13 17.500 0.02 . 1 . . . . 37 MET CE . 15471 1 445 . 1 1 37 37 MET CG C 13 32.902 0.02 . 1 . . . . 37 MET CG . 15471 1 446 . 1 1 37 37 MET N N 15 117.637 0.02 . 1 . . . . 37 MET N . 15471 1 447 . 1 1 38 38 HIS H H 1 9.435 0.02 . 1 . . . . 38 HIS H . 15471 1 448 . 1 1 38 38 HIS HA H 1 5.064 0.02 . 1 . . . . 38 HIS HA . 15471 1 449 . 1 1 38 38 HIS HB2 H 1 2.894 0.02 . 2 . . . . 38 HIS HB2 . 15471 1 450 . 1 1 38 38 HIS HB3 H 1 3.231 0.02 . 2 . . . . 38 HIS HB3 . 15471 1 451 . 1 1 38 38 HIS HD2 H 1 6.963 0.02 . 1 . . . . 38 HIS HD2 . 15471 1 452 . 1 1 38 38 HIS C C 13 172.425 0.02 . 1 . . . . 38 HIS C . 15471 1 453 . 1 1 38 38 HIS CA C 13 55.802 0.02 . 1 . . . . 38 HIS CA . 15471 1 454 . 1 1 38 38 HIS CB C 13 32.924 0.02 . 1 . . . . 38 HIS CB . 15471 1 455 . 1 1 38 38 HIS CD2 C 13 120.666 0.02 . 1 . . . . 38 HIS CD2 . 15471 1 456 . 1 1 38 38 HIS N N 15 123.104 0.02 . 1 . . . . 38 HIS N . 15471 1 457 . 1 1 39 39 LEU H H 1 8.993 0.02 . 1 . . . . 39 LEU H . 15471 1 458 . 1 1 39 39 LEU HA H 1 5.368 0.02 . 1 . . . . 39 LEU HA . 15471 1 459 . 1 1 39 39 LEU HB2 H 1 1.343 0.02 . 2 . . . . 39 LEU HB2 . 15471 1 460 . 1 1 39 39 LEU HB3 H 1 1.529 0.02 . 2 . . . . 39 LEU HB3 . 15471 1 461 . 1 1 39 39 LEU HD11 H 1 0.714 0.02 . 2 . . . . 39 LEU QD1 . 15471 1 462 . 1 1 39 39 LEU HD12 H 1 0.714 0.02 . 2 . . . . 39 LEU QD1 . 15471 1 463 . 1 1 39 39 LEU HD13 H 1 0.714 0.02 . 2 . . . . 39 LEU QD1 . 15471 1 464 . 1 1 39 39 LEU HD21 H 1 0.765 0.02 . 2 . . . . 39 LEU QD2 . 15471 1 465 . 1 1 39 39 LEU HD22 H 1 0.765 0.02 . 2 . . . . 39 LEU QD2 . 15471 1 466 . 1 1 39 39 LEU HD23 H 1 0.765 0.02 . 2 . . . . 39 LEU QD2 . 15471 1 467 . 1 1 39 39 LEU HG H 1 1.540 0.02 . 1 . . . . 39 LEU HG . 15471 1 468 . 1 1 39 39 LEU C C 13 173.869 0.02 . 1 . . . . 39 LEU C . 15471 1 469 . 1 1 39 39 LEU CA C 13 54.858 0.02 . 1 . . . . 39 LEU CA . 15471 1 470 . 1 1 39 39 LEU CB C 13 46.259 0.02 . 1 . . . . 39 LEU CB . 15471 1 471 . 1 1 39 39 LEU CD1 C 13 26.200 0.02 . 1 . . . . 39 LEU CD1 . 15471 1 472 . 1 1 39 39 LEU CD2 C 13 29.031 0.02 . 1 . . . . 39 LEU CD2 . 15471 1 473 . 1 1 39 39 LEU CG C 13 28.788 0.02 . 1 . . . . 39 LEU CG . 15471 1 474 . 1 1 39 39 LEU N N 15 129.222 0.02 . 1 . . . . 39 LEU N . 15471 1 475 . 1 1 40 40 ARG H H 1 9.204 0.02 . 1 . . . . 40 ARG H . 15471 1 476 . 1 1 40 40 ARG HA H 1 5.427 0.02 . 1 . . . . 40 ARG HA . 15471 1 477 . 1 1 40 40 ARG HB2 H 1 1.789 0.02 . 2 . . . . 40 ARG HB2 . 15471 1 478 . 1 1 40 40 ARG HB3 H 1 1.644 0.02 . 2 . . . . 40 ARG HB3 . 15471 1 479 . 1 1 40 40 ARG HD2 H 1 3.214 0.02 . 2 . . . . 40 ARG HD2 . 15471 1 480 . 1 1 40 40 ARG HD3 H 1 3.212 0.02 . 2 . . . . 40 ARG HD3 . 15471 1 481 . 1 1 40 40 ARG HE H 1 7.402 0.02 . 1 . . . . 40 ARG HE . 15471 1 482 . 1 1 40 40 ARG HG2 H 1 1.455 0.02 . 2 . . . . 40 ARG HG2 . 15471 1 483 . 1 1 40 40 ARG HG3 H 1 1.512 0.02 . 2 . . . . 40 ARG HG3 . 15471 1 484 . 1 1 40 40 ARG C C 13 174.696 0.02 . 1 . . . . 40 ARG C . 15471 1 485 . 1 1 40 40 ARG CA C 13 55.973 0.02 . 1 . . . . 40 ARG CA . 15471 1 486 . 1 1 40 40 ARG CB C 13 35.230 0.02 . 1 . . . . 40 ARG CB . 15471 1 487 . 1 1 40 40 ARG CD C 13 44.058 0.02 . 1 . . . . 40 ARG CD . 15471 1 488 . 1 1 40 40 ARG CG C 13 29.421 0.02 . 1 . . . . 40 ARG CG . 15471 1 489 . 1 1 40 40 ARG N N 15 126.881 0.02 . 1 . . . . 40 ARG N . 15471 1 490 . 1 1 40 40 ARG NE N 15 85.489 0.02 . 1 . . . . 40 ARG NE . 15471 1 491 . 1 1 41 41 PHE H H 1 9.303 0.02 . 1 . . . . 41 PHE H . 15471 1 492 . 1 1 41 41 PHE HA H 1 5.241 0.02 . 1 . . . . 41 PHE HA . 15471 1 493 . 1 1 41 41 PHE HB2 H 1 2.784 0.02 . 2 . . . . 41 PHE HB2 . 15471 1 494 . 1 1 41 41 PHE HB3 H 1 2.854 0.02 . 2 . . . . 41 PHE HB3 . 15471 1 495 . 1 1 41 41 PHE HD1 H 1 7.265 0.02 . 1 . . . . 41 PHE HD1 . 15471 1 496 . 1 1 41 41 PHE HD2 H 1 7.265 0.02 . 1 . . . . 41 PHE HD2 . 15471 1 497 . 1 1 41 41 PHE HE1 H 1 7.117 0.02 . 1 . . . . 41 PHE HE1 . 15471 1 498 . 1 1 41 41 PHE HE2 H 1 7.117 0.02 . 1 . . . . 41 PHE HE2 . 15471 1 499 . 1 1 41 41 PHE HZ H 1 7.182 0.02 . 1 . . . . 41 PHE HZ . 15471 1 500 . 1 1 41 41 PHE C C 13 172.468 0.02 . 1 . . . . 41 PHE C . 15471 1 501 . 1 1 41 41 PHE CA C 13 56.734 0.02 . 1 . . . . 41 PHE CA . 15471 1 502 . 1 1 41 41 PHE CB C 13 43.081 0.02 . 1 . . . . 41 PHE CB . 15471 1 503 . 1 1 41 41 PHE CD1 C 13 133.145 0.02 . 1 . . . . 41 PHE CD1 . 15471 1 504 . 1 1 41 41 PHE CE1 C 13 131.341 0.02 . 1 . . . . 41 PHE CE1 . 15471 1 505 . 1 1 41 41 PHE CZ C 13 130.866 0.02 . 1 . . . . 41 PHE CZ . 15471 1 506 . 1 1 41 41 PHE N N 15 126.522 0.02 . 1 . . . . 41 PHE N . 15471 1 507 . 1 1 42 42 ASP H H 1 8.985 0.02 . 1 . . . . 42 ASP H . 15471 1 508 . 1 1 42 42 ASP HA H 1 4.374 0.02 . 1 . . . . 42 ASP HA . 15471 1 509 . 1 1 42 42 ASP HB2 H 1 2.268 0.02 . 2 . . . . 42 ASP HB2 . 15471 1 510 . 1 1 42 42 ASP HB3 H 1 2.829 0.02 . 2 . . . . 42 ASP HB3 . 15471 1 511 . 1 1 42 42 ASP C C 13 175.461 0.02 . 1 . . . . 42 ASP C . 15471 1 512 . 1 1 42 42 ASP CA C 13 54.484 0.02 . 1 . . . . 42 ASP CA . 15471 1 513 . 1 1 42 42 ASP CB C 13 41.452 0.02 . 1 . . . . 42 ASP CB . 15471 1 514 . 1 1 42 42 ASP N N 15 130.345 0.02 . 1 . . . . 42 ASP N . 15471 1 515 . 1 1 43 43 ILE H H 1 8.201 0.02 . 1 . . . . 43 ILE H . 15471 1 516 . 1 1 43 43 ILE HA H 1 2.982 0.02 . 1 . . . . 43 ILE HA . 15471 1 517 . 1 1 43 43 ILE HB H 1 1.792 0.02 . 1 . . . . 43 ILE HB . 15471 1 518 . 1 1 43 43 ILE HD11 H 1 0.801 0.02 . 1 . . . . 43 ILE QD1 . 15471 1 519 . 1 1 43 43 ILE HD12 H 1 0.801 0.02 . 1 . . . . 43 ILE QD1 . 15471 1 520 . 1 1 43 43 ILE HD13 H 1 0.801 0.02 . 1 . . . . 43 ILE QD1 . 15471 1 521 . 1 1 43 43 ILE HG12 H 1 1.895 0.02 . 2 . . . . 43 ILE HG12 . 15471 1 522 . 1 1 43 43 ILE HG13 H 1 0.912 0.02 . 2 . . . . 43 ILE HG13 . 15471 1 523 . 1 1 43 43 ILE HG21 H 1 0.836 0.02 . 1 . . . . 43 ILE QG2 . 15471 1 524 . 1 1 43 43 ILE HG22 H 1 0.836 0.02 . 1 . . . . 43 ILE QG2 . 15471 1 525 . 1 1 43 43 ILE HG23 H 1 0.836 0.02 . 1 . . . . 43 ILE QG2 . 15471 1 526 . 1 1 43 43 ILE C C 13 179.238 0.02 . 1 . . . . 43 ILE C . 15471 1 527 . 1 1 43 43 ILE CA C 13 66.431 0.02 . 1 . . . . 43 ILE CA . 15471 1 528 . 1 1 43 43 ILE CB C 13 40.204 0.02 . 1 . . . . 43 ILE CB . 15471 1 529 . 1 1 43 43 ILE CD1 C 13 15.683 0.02 . 1 . . . . 43 ILE CD1 . 15471 1 530 . 1 1 43 43 ILE CG1 C 13 29.769 0.02 . 1 . . . . 43 ILE CG1 . 15471 1 531 . 1 1 43 43 ILE CG2 C 13 18.760 0.02 . 1 . . . . 43 ILE CG2 . 15471 1 532 . 1 1 43 43 ILE N N 15 127.239 0.02 . 1 . . . . 43 ILE N . 15471 1 533 . 1 1 44 44 ASN H H 1 8.384 0.02 . 1 . . . . 44 ASN H . 15471 1 534 . 1 1 44 44 ASN HA H 1 4.323 0.02 . 1 . . . . 44 ASN HA . 15471 1 535 . 1 1 44 44 ASN HB2 H 1 2.874 0.02 . 2 . . . . 44 ASN HB2 . 15471 1 536 . 1 1 44 44 ASN HB3 H 1 2.679 0.02 . 2 . . . . 44 ASN HB3 . 15471 1 537 . 1 1 44 44 ASN HD21 H 1 7.777 0.02 . 2 . . . . 44 ASN HD21 . 15471 1 538 . 1 1 44 44 ASN HD22 H 1 6.858 0.02 . 2 . . . . 44 ASN HD22 . 15471 1 539 . 1 1 44 44 ASN C C 13 176.607 0.02 . 1 . . . . 44 ASN C . 15471 1 540 . 1 1 44 44 ASN CA C 13 57.377 0.02 . 1 . . . . 44 ASN CA . 15471 1 541 . 1 1 44 44 ASN CB C 13 39.062 0.02 . 1 . . . . 44 ASN CB . 15471 1 542 . 1 1 44 44 ASN N N 15 118.107 0.02 . 1 . . . . 44 ASN N . 15471 1 543 . 1 1 44 44 ASN ND2 N 15 114.889 0.02 . 1 . . . . 44 ASN ND2 . 15471 1 544 . 1 1 45 45 ALA H H 1 7.497 0.02 . 1 . . . . 45 ALA H . 15471 1 545 . 1 1 45 45 ALA HA H 1 4.214 0.02 . 1 . . . . 45 ALA HA . 15471 1 546 . 1 1 45 45 ALA HB1 H 1 1.213 0.02 . 1 . . . . 45 ALA QB . 15471 1 547 . 1 1 45 45 ALA HB2 H 1 1.213 0.02 . 1 . . . . 45 ALA QB . 15471 1 548 . 1 1 45 45 ALA HB3 H 1 1.213 0.02 . 1 . . . . 45 ALA QB . 15471 1 549 . 1 1 45 45 ALA C C 13 177.010 0.02 . 1 . . . . 45 ALA C . 15471 1 550 . 1 1 45 45 ALA CA C 13 52.887 0.02 . 1 . . . . 45 ALA CA . 15471 1 551 . 1 1 45 45 ALA CB C 13 19.766 0.02 . 1 . . . . 45 ALA CB . 15471 1 552 . 1 1 45 45 ALA N N 15 121.171 0.02 . 1 . . . . 45 ALA N . 15471 1 553 . 1 1 46 46 SER H H 1 6.989 0.02 . 1 . . . . 46 SER H . 15471 1 554 . 1 1 46 46 SER HA H 1 4.258 0.02 . 1 . . . . 46 SER HA . 15471 1 555 . 1 1 46 46 SER HB2 H 1 4.001 0.02 . 2 . . . . 46 SER HB2 . 15471 1 556 . 1 1 46 46 SER HB3 H 1 4.307 0.02 . 2 . . . . 46 SER HB3 . 15471 1 557 . 1 1 46 46 SER HG H 1 5.273 0.02 . 1 . . . . 46 SER HG . 15471 1 558 . 1 1 46 46 SER C C 13 173.975 0.02 . 1 . . . . 46 SER C . 15471 1 559 . 1 1 46 46 SER CA C 13 59.914 0.02 . 1 . . . . 46 SER CA . 15471 1 560 . 1 1 46 46 SER CB C 13 68.421 0.02 . 1 . . . . 46 SER CB . 15471 1 561 . 1 1 46 46 SER N N 15 114.644 0.02 . 1 . . . . 46 SER N . 15471 1 562 . 1 1 47 47 SER H H 1 10.437 0.02 . 1 . . . . 47 SER H . 15471 1 563 . 1 1 47 47 SER HA H 1 4.606 0.02 . 1 . . . . 47 SER HA . 15471 1 564 . 1 1 47 47 SER HB2 H 1 4.060 0.02 . 2 . . . . 47 SER HB2 . 15471 1 565 . 1 1 47 47 SER HB3 H 1 4.146 0.02 . 2 . . . . 47 SER HB3 . 15471 1 566 . 1 1 47 47 SER C C 13 175.227 0.02 . 1 . . . . 47 SER C . 15471 1 567 . 1 1 47 47 SER CA C 13 59.008 0.02 . 1 . . . . 47 SER CA . 15471 1 568 . 1 1 47 47 SER CB C 13 63.142 0.02 . 1 . . . . 47 SER CB . 15471 1 569 . 1 1 47 47 SER N N 15 116.405 0.02 . 1 . . . . 47 SER N . 15471 1 570 . 1 1 48 48 LEU H H 1 7.636 0.02 . 1 . . . . 48 LEU H . 15471 1 571 . 1 1 48 48 LEU HA H 1 4.232 0.02 . 1 . . . . 48 LEU HA . 15471 1 572 . 1 1 48 48 LEU HB2 H 1 1.631 0.02 . 2 . . . . 48 LEU HB2 . 15471 1 573 . 1 1 48 48 LEU HB3 H 1 1.358 0.02 . 2 . . . . 48 LEU HB3 . 15471 1 574 . 1 1 48 48 LEU HD11 H 1 0.997 0.02 . 2 . . . . 48 LEU QD1 . 15471 1 575 . 1 1 48 48 LEU HD12 H 1 0.997 0.02 . 2 . . . . 48 LEU QD1 . 15471 1 576 . 1 1 48 48 LEU HD13 H 1 0.997 0.02 . 2 . . . . 48 LEU QD1 . 15471 1 577 . 1 1 48 48 LEU HD21 H 1 0.722 0.02 . 2 . . . . 48 LEU QD2 . 15471 1 578 . 1 1 48 48 LEU HD22 H 1 0.722 0.02 . 2 . . . . 48 LEU QD2 . 15471 1 579 . 1 1 48 48 LEU HD23 H 1 0.722 0.02 . 2 . . . . 48 LEU QD2 . 15471 1 580 . 1 1 48 48 LEU HG H 1 2.054 0.02 . 1 . . . . 48 LEU HG . 15471 1 581 . 1 1 48 48 LEU CA C 13 54.251 0.02 . 1 . . . . 48 LEU CA . 15471 1 582 . 1 1 48 48 LEU CB C 13 43.453 0.02 . 1 . . . . 48 LEU CB . 15471 1 583 . 1 1 48 48 LEU CD1 C 13 27.862 0.02 . 1 . . . . 48 LEU CD1 . 15471 1 584 . 1 1 48 48 LEU CD2 C 13 24.376 0.02 . 1 . . . . 48 LEU CD2 . 15471 1 585 . 1 1 48 48 LEU CG C 13 27.831 0.02 . 1 . . . . 48 LEU CG . 15471 1 586 . 1 1 48 48 LEU N N 15 122.126 0.02 . 1 . . . . 48 LEU N . 15471 1 587 . 1 1 49 49 PRO HA H 1 4.898 0.02 . 1 . . . . 49 PRO HA . 15471 1 588 . 1 1 49 49 PRO HB2 H 1 1.943 0.02 . 2 . . . . 49 PRO HB2 . 15471 1 589 . 1 1 49 49 PRO HB3 H 1 2.781 0.02 . 2 . . . . 49 PRO HB3 . 15471 1 590 . 1 1 49 49 PRO HD2 H 1 4.015 0.02 . 2 . . . . 49 PRO HD2 . 15471 1 591 . 1 1 49 49 PRO HD3 H 1 3.213 0.02 . 2 . . . . 49 PRO HD3 . 15471 1 592 . 1 1 49 49 PRO HG2 H 1 2.138 0.02 . 2 . . . . 49 PRO HG2 . 15471 1 593 . 1 1 49 49 PRO HG3 H 1 2.263 0.02 . 2 . . . . 49 PRO HG3 . 15471 1 594 . 1 1 49 49 PRO CA C 13 62.260 0.02 . 1 . . . . 49 PRO CA . 15471 1 595 . 1 1 49 49 PRO CB C 13 32.296 0.02 . 1 . . . . 49 PRO CB . 15471 1 596 . 1 1 49 49 PRO CD C 13 51.163 0.02 . 1 . . . . 49 PRO CD . 15471 1 597 . 1 1 49 49 PRO CG C 13 28.812 0.02 . 1 . . . . 49 PRO CG . 15471 1 598 . 1 1 50 50 PRO HA H 1 4.163 0.02 . 1 . . . . 50 PRO HA . 15471 1 599 . 1 1 50 50 PRO HB2 H 1 2.508 0.02 . 2 . . . . 50 PRO HB2 . 15471 1 600 . 1 1 50 50 PRO HB3 H 1 2.105 0.02 . 2 . . . . 50 PRO HB3 . 15471 1 601 . 1 1 50 50 PRO HD2 H 1 3.953 0.02 . 2 . . . . 50 PRO HD2 . 15471 1 602 . 1 1 50 50 PRO HD3 H 1 4.031 0.02 . 2 . . . . 50 PRO HD3 . 15471 1 603 . 1 1 50 50 PRO HG2 H 1 2.282 0.02 . 2 . . . . 50 PRO HG2 . 15471 1 604 . 1 1 50 50 PRO HG3 H 1 2.156 0.02 . 2 . . . . 50 PRO HG3 . 15471 1 605 . 1 1 50 50 PRO C C 13 177.456 0.02 . 1 . . . . 50 PRO C . 15471 1 606 . 1 1 50 50 PRO CA C 13 67.041 0.02 . 1 . . . . 50 PRO CA . 15471 1 607 . 1 1 50 50 PRO CB C 13 32.909 0.02 . 1 . . . . 50 PRO CB . 15471 1 608 . 1 1 50 50 PRO CD C 13 51.467 0.02 . 1 . . . . 50 PRO CD . 15471 1 609 . 1 1 50 50 PRO CG C 13 28.357 0.02 . 1 . . . . 50 PRO CG . 15471 1 610 . 1 1 51 51 PHE H H 1 8.640 0.02 . 1 . . . . 51 PHE H . 15471 1 611 . 1 1 51 51 PHE HA H 1 4.298 0.02 . 1 . . . . 51 PHE HA . 15471 1 612 . 1 1 51 51 PHE HB2 H 1 2.727 0.02 . 2 . . . . 51 PHE HB2 . 15471 1 613 . 1 1 51 51 PHE HB3 H 1 3.363 0.02 . 2 . . . . 51 PHE HB3 . 15471 1 614 . 1 1 51 51 PHE HD1 H 1 6.856 0.02 . 1 . . . . 51 PHE HD1 . 15471 1 615 . 1 1 51 51 PHE HD2 H 1 6.856 0.02 . 1 . . . . 51 PHE HD2 . 15471 1 616 . 1 1 51 51 PHE HE1 H 1 6.866 0.02 . 1 . . . . 51 PHE HE1 . 15471 1 617 . 1 1 51 51 PHE HE2 H 1 6.866 0.02 . 1 . . . . 51 PHE HE2 . 15471 1 618 . 1 1 51 51 PHE HZ H 1 6.853 0.02 . 1 . . . . 51 PHE HZ . 15471 1 619 . 1 1 51 51 PHE C C 13 177.392 0.02 . 1 . . . . 51 PHE C . 15471 1 620 . 1 1 51 51 PHE CA C 13 61.675 0.02 . 1 . . . . 51 PHE CA . 15471 1 621 . 1 1 51 51 PHE CB C 13 40.678 0.02 . 1 . . . . 51 PHE CB . 15471 1 622 . 1 1 51 51 PHE CD1 C 13 132.664 0.02 . 1 . . . . 51 PHE CD1 . 15471 1 623 . 1 1 51 51 PHE CE1 C 13 132.514 0.02 . 1 . . . . 51 PHE CE1 . 15471 1 624 . 1 1 51 51 PHE CZ C 13 132.434 0.02 . 1 . . . . 51 PHE CZ . 15471 1 625 . 1 1 51 51 PHE N N 15 116.632 0.02 . 1 . . . . 51 PHE N . 15471 1 626 . 1 1 52 52 TYR H H 1 7.400 0.02 . 1 . . . . 52 TYR H . 15471 1 627 . 1 1 52 52 TYR HA H 1 3.789 0.02 . 1 . . . . 52 TYR HA . 15471 1 628 . 1 1 52 52 TYR HB2 H 1 2.749 0.02 . 2 . . . . 52 TYR HB2 . 15471 1 629 . 1 1 52 52 TYR HB3 H 1 3.162 0.02 . 2 . . . . 52 TYR HB3 . 15471 1 630 . 1 1 52 52 TYR HD1 H 1 7.036 0.02 . 1 . . . . 52 TYR HD1 . 15471 1 631 . 1 1 52 52 TYR HD2 H 1 7.036 0.02 . 1 . . . . 52 TYR HD2 . 15471 1 632 . 1 1 52 52 TYR HE1 H 1 6.853 0.02 . 1 . . . . 52 TYR HE1 . 15471 1 633 . 1 1 52 52 TYR HE2 H 1 6.853 0.02 . 1 . . . . 52 TYR HE2 . 15471 1 634 . 1 1 52 52 TYR C C 13 178.029 0.02 . 1 . . . . 52 TYR C . 15471 1 635 . 1 1 52 52 TYR CA C 13 62.531 0.02 . 1 . . . . 52 TYR CA . 15471 1 636 . 1 1 52 52 TYR CB C 13 41.060 0.02 . 1 . . . . 52 TYR CB . 15471 1 637 . 1 1 52 52 TYR CD1 C 13 132.995 0.02 . 1 . . . . 52 TYR CD1 . 15471 1 638 . 1 1 52 52 TYR CE1 C 13 119.262 0.02 . 1 . . . . 52 TYR CE1 . 15471 1 639 . 1 1 52 52 TYR N N 15 115.914 0.02 . 1 . . . . 52 TYR N . 15471 1 640 . 1 1 53 53 LYS H H 1 7.627 0.02 . 1 . . . . 53 LYS H . 15471 1 641 . 1 1 53 53 LYS HA H 1 3.614 0.02 . 1 . . . . 53 LYS HA . 15471 1 642 . 1 1 53 53 LYS HB2 H 1 2.005 0.02 . 2 . . . . 53 LYS HB2 . 15471 1 643 . 1 1 53 53 LYS HB3 H 1 1.698 0.02 . 2 . . . . 53 LYS HB3 . 15471 1 644 . 1 1 53 53 LYS HD2 H 1 1.628 0.02 . 2 . . . . 53 LYS HD2 . 15471 1 645 . 1 1 53 53 LYS HD3 H 1 1.737 0.02 . 2 . . . . 53 LYS HD3 . 15471 1 646 . 1 1 53 53 LYS HE2 H 1 3.322 0.02 . 2 . . . . 53 LYS HE2 . 15471 1 647 . 1 1 53 53 LYS HE3 H 1 3.183 0.02 . 2 . . . . 53 LYS HE3 . 15471 1 648 . 1 1 53 53 LYS HG2 H 1 1.451 0.02 . 2 . . . . 53 LYS HG2 . 15471 1 649 . 1 1 53 53 LYS HG3 H 1 1.449 0.02 . 2 . . . . 53 LYS HG3 . 15471 1 650 . 1 1 53 53 LYS C C 13 177.328 0.02 . 1 . . . . 53 LYS C . 15471 1 651 . 1 1 53 53 LYS CA C 13 62.168 0.02 . 1 . . . . 53 LYS CA . 15471 1 652 . 1 1 53 53 LYS CB C 13 33.724 0.02 . 1 . . . . 53 LYS CB . 15471 1 653 . 1 1 53 53 LYS CD C 13 31.278 0.02 . 1 . . . . 53 LYS CD . 15471 1 654 . 1 1 53 53 LYS CE C 13 43.035 0.02 . 1 . . . . 53 LYS CE . 15471 1 655 . 1 1 53 53 LYS CG C 13 27.854 0.02 . 1 . . . . 53 LYS CG . 15471 1 656 . 1 1 53 53 LYS N N 15 118.481 0.02 . 1 . . . . 53 LYS N . 15471 1 657 . 1 1 54 54 GLU H H 1 8.346 0.02 . 1 . . . . 54 GLU H . 15471 1 658 . 1 1 54 54 GLU HA H 1 3.825 0.02 . 1 . . . . 54 GLU HA . 15471 1 659 . 1 1 54 54 GLU HB2 H 1 1.958 0.02 . 2 . . . . 54 GLU HB2 . 15471 1 660 . 1 1 54 54 GLU HB3 H 1 2.012 0.02 . 2 . . . . 54 GLU HB3 . 15471 1 661 . 1 1 54 54 GLU HG2 H 1 2.342 0.02 . 2 . . . . 54 GLU HG2 . 15471 1 662 . 1 1 54 54 GLU HG3 H 1 2.199 0.02 . 2 . . . . 54 GLU HG3 . 15471 1 663 . 1 1 54 54 GLU C C 13 179.536 0.02 . 1 . . . . 54 GLU C . 15471 1 664 . 1 1 54 54 GLU CA C 13 60.016 0.02 . 1 . . . . 54 GLU CA . 15471 1 665 . 1 1 54 54 GLU CB C 13 30.139 0.02 . 1 . . . . 54 GLU CB . 15471 1 666 . 1 1 54 54 GLU CG C 13 36.717 0.02 . 1 . . . . 54 GLU CG . 15471 1 667 . 1 1 54 54 GLU N N 15 116.362 0.02 . 1 . . . . 54 GLU N . 15471 1 668 . 1 1 55 55 ARG H H 1 7.234 0.02 . 1 . . . . 55 ARG H . 15471 1 669 . 1 1 55 55 ARG HA H 1 3.860 0.02 . 1 . . . . 55 ARG HA . 15471 1 670 . 1 1 55 55 ARG HB2 H 1 1.473 0.02 . 2 . . . . 55 ARG HB2 . 15471 1 671 . 1 1 55 55 ARG HB3 H 1 1.660 0.02 . 2 . . . . 55 ARG HB3 . 15471 1 672 . 1 1 55 55 ARG HD2 H 1 2.977 0.02 . 2 . . . . 55 ARG HD2 . 15471 1 673 . 1 1 55 55 ARG HD3 H 1 2.756 0.02 . 2 . . . . 55 ARG HD3 . 15471 1 674 . 1 1 55 55 ARG HE H 1 7.105 0.02 . 1 . . . . 55 ARG HE . 15471 1 675 . 1 1 55 55 ARG HG2 H 1 1.268 0.02 . 2 . . . . 55 ARG HG2 . 15471 1 676 . 1 1 55 55 ARG HG3 H 1 1.098 0.02 . 2 . . . . 55 ARG HG3 . 15471 1 677 . 1 1 55 55 ARG C C 13 179.005 0.02 . 1 . . . . 55 ARG C . 15471 1 678 . 1 1 55 55 ARG CA C 13 58.689 0.02 . 1 . . . . 55 ARG CA . 15471 1 679 . 1 1 55 55 ARG CB C 13 30.657 0.02 . 1 . . . . 55 ARG CB . 15471 1 680 . 1 1 55 55 ARG CD C 13 43.316 0.02 . 1 . . . . 55 ARG CD . 15471 1 681 . 1 1 55 55 ARG CG C 13 27.623 0.02 . 1 . . . . 55 ARG CG . 15471 1 682 . 1 1 55 55 ARG N N 15 117.505 0.02 . 1 . . . . 55 ARG N . 15471 1 683 . 1 1 55 55 ARG NE N 15 85.817 0.02 . 1 . . . . 55 ARG NE . 15471 1 684 . 1 1 56 56 LEU H H 1 7.942 0.02 . 1 . . . . 56 LEU H . 15471 1 685 . 1 1 56 56 LEU HA H 1 3.952 0.02 . 1 . . . . 56 LEU HA . 15471 1 686 . 1 1 56 56 LEU HB2 H 1 1.398 0.02 . 2 . . . . 56 LEU HB2 . 15471 1 687 . 1 1 56 56 LEU HB3 H 1 2.015 0.02 . 2 . . . . 56 LEU HB3 . 15471 1 688 . 1 1 56 56 LEU HD11 H 1 0.843 0.02 . 2 . . . . 56 LEU QD1 . 15471 1 689 . 1 1 56 56 LEU HD12 H 1 0.843 0.02 . 2 . . . . 56 LEU QD1 . 15471 1 690 . 1 1 56 56 LEU HD13 H 1 0.843 0.02 . 2 . . . . 56 LEU QD1 . 15471 1 691 . 1 1 56 56 LEU HD21 H 1 0.938 0.02 . 2 . . . . 56 LEU QD2 . 15471 1 692 . 1 1 56 56 LEU HD22 H 1 0.938 0.02 . 2 . . . . 56 LEU QD2 . 15471 1 693 . 1 1 56 56 LEU HD23 H 1 0.938 0.02 . 2 . . . . 56 LEU QD2 . 15471 1 694 . 1 1 56 56 LEU HG H 1 1.794 0.02 . 1 . . . . 56 LEU HG . 15471 1 695 . 1 1 56 56 LEU C C 13 178.177 0.02 . 1 . . . . 56 LEU C . 15471 1 696 . 1 1 56 56 LEU CA C 13 58.630 0.02 . 1 . . . . 56 LEU CA . 15471 1 697 . 1 1 56 56 LEU CB C 13 44.031 0.02 . 1 . . . . 56 LEU CB . 15471 1 698 . 1 1 56 56 LEU CD1 C 13 25.345 0.02 . 1 . . . . 56 LEU CD1 . 15471 1 699 . 1 1 56 56 LEU CD2 C 13 27.954 0.02 . 1 . . . . 56 LEU CD2 . 15471 1 700 . 1 1 56 56 LEU CG C 13 28.161 0.02 . 1 . . . . 56 LEU CG . 15471 1 701 . 1 1 56 56 LEU N N 15 120.040 0.02 . 1 . . . . 56 LEU N . 15471 1 702 . 1 1 57 57 LEU H H 1 8.013 0.02 . 1 . . . . 57 LEU H . 15471 1 703 . 1 1 57 57 LEU HA H 1 4.047 0.02 . 1 . . . . 57 LEU HA . 15471 1 704 . 1 1 57 57 LEU HB2 H 1 1.510 0.02 . 2 . . . . 57 LEU HB2 . 15471 1 705 . 1 1 57 57 LEU HB3 H 1 1.747 0.02 . 2 . . . . 57 LEU HB3 . 15471 1 706 . 1 1 57 57 LEU HD11 H 1 0.837 0.02 . 2 . . . . 57 LEU QD1 . 15471 1 707 . 1 1 57 57 LEU HD12 H 1 0.837 0.02 . 2 . . . . 57 LEU QD1 . 15471 1 708 . 1 1 57 57 LEU HD13 H 1 0.837 0.02 . 2 . . . . 57 LEU QD1 . 15471 1 709 . 1 1 57 57 LEU HD21 H 1 0.844 0.02 . 2 . . . . 57 LEU QD2 . 15471 1 710 . 1 1 57 57 LEU HD22 H 1 0.844 0.02 . 2 . . . . 57 LEU QD2 . 15471 1 711 . 1 1 57 57 LEU HD23 H 1 0.844 0.02 . 2 . . . . 57 LEU QD2 . 15471 1 712 . 1 1 57 57 LEU HG H 1 1.853 0.02 . 1 . . . . 57 LEU HG . 15471 1 713 . 1 1 57 57 LEU C C 13 177.392 0.02 . 1 . . . . 57 LEU C . 15471 1 714 . 1 1 57 57 LEU CA C 13 57.437 0.02 . 1 . . . . 57 LEU CA . 15471 1 715 . 1 1 57 57 LEU CB C 13 42.007 0.02 . 1 . . . . 57 LEU CB . 15471 1 716 . 1 1 57 57 LEU CD1 C 13 24.089 0.02 . 1 . . . . 57 LEU CD1 . 15471 1 717 . 1 1 57 57 LEU CD2 C 13 26.264 0.02 . 1 . . . . 57 LEU CD2 . 15471 1 718 . 1 1 57 57 LEU CG C 13 28.112 0.02 . 1 . . . . 57 LEU CG . 15471 1 719 . 1 1 57 57 LEU N N 15 116.831 0.02 . 1 . . . . 57 LEU N . 15471 1 720 . 1 1 58 58 ALA H H 1 7.118 0.02 . 1 . . . . 58 ALA H . 15471 1 721 . 1 1 58 58 ALA HA H 1 4.376 0.02 . 1 . . . . 58 ALA HA . 15471 1 722 . 1 1 58 58 ALA HB1 H 1 1.389 0.02 . 1 . . . . 58 ALA QB . 15471 1 723 . 1 1 58 58 ALA HB2 H 1 1.389 0.02 . 1 . . . . 58 ALA QB . 15471 1 724 . 1 1 58 58 ALA HB3 H 1 1.389 0.02 . 1 . . . . 58 ALA QB . 15471 1 725 . 1 1 58 58 ALA C C 13 177.413 0.02 . 1 . . . . 58 ALA C . 15471 1 726 . 1 1 58 58 ALA CA C 13 52.581 0.02 . 1 . . . . 58 ALA CA . 15471 1 727 . 1 1 58 58 ALA CB C 13 20.289 0.02 . 1 . . . . 58 ALA CB . 15471 1 728 . 1 1 58 58 ALA N N 15 119.758 0.02 . 1 . . . . 58 ALA N . 15471 1 729 . 1 1 59 59 LEU H H 1 7.158 0.02 . 1 . . . . 59 LEU H . 15471 1 730 . 1 1 59 59 LEU HA H 1 4.088 0.02 . 1 . . . . 59 LEU HA . 15471 1 731 . 1 1 59 59 LEU HB2 H 1 1.582 0.02 . 2 . . . . 59 LEU HB2 . 15471 1 732 . 1 1 59 59 LEU HB3 H 1 1.842 0.02 . 2 . . . . 59 LEU HB3 . 15471 1 733 . 1 1 59 59 LEU HD11 H 1 0.954 0.02 . 2 . . . . 59 LEU QD1 . 15471 1 734 . 1 1 59 59 LEU HD12 H 1 0.954 0.02 . 2 . . . . 59 LEU QD1 . 15471 1 735 . 1 1 59 59 LEU HD13 H 1 0.954 0.02 . 2 . . . . 59 LEU QD1 . 15471 1 736 . 1 1 59 59 LEU HD21 H 1 0.888 0.02 . 2 . . . . 59 LEU QD2 . 15471 1 737 . 1 1 59 59 LEU HD22 H 1 0.888 0.02 . 2 . . . . 59 LEU QD2 . 15471 1 738 . 1 1 59 59 LEU HD23 H 1 0.888 0.02 . 2 . . . . 59 LEU QD2 . 15471 1 739 . 1 1 59 59 LEU HG H 1 1.905 0.02 . 1 . . . . 59 LEU HG . 15471 1 740 . 1 1 59 59 LEU C C 13 176.628 0.02 . 1 . . . . 59 LEU C . 15471 1 741 . 1 1 59 59 LEU CA C 13 56.567 0.02 . 1 . . . . 59 LEU CA . 15471 1 742 . 1 1 59 59 LEU CB C 13 44.010 0.02 . 1 . . . . 59 LEU CB . 15471 1 743 . 1 1 59 59 LEU CD1 C 13 25.914 0.02 . 1 . . . . 59 LEU CD1 . 15471 1 744 . 1 1 59 59 LEU CD2 C 13 24.994 0.02 . 1 . . . . 59 LEU CD2 . 15471 1 745 . 1 1 59 59 LEU CG C 13 27.117 0.02 . 1 . . . . 59 LEU CG . 15471 1 746 . 1 1 59 59 LEU N N 15 120.674 0.02 . 1 . . . . 59 LEU N . 15471 1 747 . 1 1 60 60 ASN H H 1 8.637 0.02 . 1 . . . . 60 ASN H . 15471 1 748 . 1 1 60 60 ASN HA H 1 4.741 0.02 . 1 . . . . 60 ASN HA . 15471 1 749 . 1 1 60 60 ASN HB2 H 1 2.708 0.02 . 2 . . . . 60 ASN HB2 . 15471 1 750 . 1 1 60 60 ASN HB3 H 1 2.921 0.02 . 2 . . . . 60 ASN HB3 . 15471 1 751 . 1 1 60 60 ASN HD21 H 1 7.551 0.02 . 2 . . . . 60 ASN HD21 . 15471 1 752 . 1 1 60 60 ASN HD22 H 1 6.846 0.02 . 2 . . . . 60 ASN HD22 . 15471 1 753 . 1 1 60 60 ASN C C 13 173.614 0.02 . 1 . . . . 60 ASN C . 15471 1 754 . 1 1 60 60 ASN CA C 13 53.370 0.02 . 1 . . . . 60 ASN CA . 15471 1 755 . 1 1 60 60 ASN CB C 13 38.308 0.02 . 1 . . . . 60 ASN CB . 15471 1 756 . 1 1 60 60 ASN N N 15 121.790 0.02 . 1 . . . . 60 ASN N . 15471 1 757 . 1 1 60 60 ASN ND2 N 15 112.604 0.02 . 1 . . . . 60 ASN ND2 . 15471 1 758 . 1 1 61 61 ASP H H 1 7.891 0.02 . 1 . . . . 61 ASP H . 15471 1 759 . 1 1 61 61 ASP HA H 1 4.757 0.02 . 1 . . . . 61 ASP HA . 15471 1 760 . 1 1 61 61 ASP HB2 H 1 2.422 0.02 . 2 . . . . 61 ASP HB2 . 15471 1 761 . 1 1 61 61 ASP HB3 H 1 2.590 0.02 . 2 . . . . 61 ASP HB3 . 15471 1 762 . 1 1 61 61 ASP C C 13 176.437 0.02 . 1 . . . . 61 ASP C . 15471 1 763 . 1 1 61 61 ASP CA C 13 54.532 0.02 . 1 . . . . 61 ASP CA . 15471 1 764 . 1 1 61 61 ASP CB C 13 45.882 0.02 . 1 . . . . 61 ASP CB . 15471 1 765 . 1 1 61 61 ASP N N 15 124.042 0.02 . 1 . . . . 61 ASP N . 15471 1 766 . 1 1 62 62 SER H H 1 8.876 0.02 . 1 . . . . 62 SER H . 15471 1 767 . 1 1 62 62 SER HA H 1 4.284 0.02 . 1 . . . . 62 SER HA . 15471 1 768 . 1 1 62 62 SER HB2 H 1 3.967 0.02 . 2 . . . . 62 SER HB2 . 15471 1 769 . 1 1 62 62 SER HB3 H 1 4.061 0.02 . 2 . . . . 62 SER HB3 . 15471 1 770 . 1 1 62 62 SER C C 13 175.121 0.02 . 1 . . . . 62 SER C . 15471 1 771 . 1 1 62 62 SER CA C 13 61.806 0.02 . 1 . . . . 62 SER CA . 15471 1 772 . 1 1 62 62 SER CB C 13 63.764 0.02 . 1 . . . . 62 SER CB . 15471 1 773 . 1 1 62 62 SER N N 15 123.617 0.02 . 1 . . . . 62 SER N . 15471 1 774 . 1 1 63 63 ARG H H 1 9.269 0.02 . 1 . . . . 63 ARG H . 15471 1 775 . 1 1 63 63 ARG HA H 1 4.338 0.02 . 1 . . . . 63 ARG HA . 15471 1 776 . 1 1 63 63 ARG HB2 H 1 2.230 0.02 . 2 . . . . 63 ARG HB2 . 15471 1 777 . 1 1 63 63 ARG HB3 H 1 1.700 0.02 . 2 . . . . 63 ARG HB3 . 15471 1 778 . 1 1 63 63 ARG HD2 H 1 2.930 0.02 . 2 . . . . 63 ARG HD2 . 15471 1 779 . 1 1 63 63 ARG HD3 H 1 3.422 0.02 . 2 . . . . 63 ARG HD3 . 15471 1 780 . 1 1 63 63 ARG HE H 1 8.603 0.02 . 1 . . . . 63 ARG HE . 15471 1 781 . 1 1 63 63 ARG HG2 H 1 1.764 0.02 . 2 . . . . 63 ARG HG2 . 15471 1 782 . 1 1 63 63 ARG HG3 H 1 1.945 0.02 . 2 . . . . 63 ARG HG3 . 15471 1 783 . 1 1 63 63 ARG C C 13 174.378 0.02 . 1 . . . . 63 ARG C . 15471 1 784 . 1 1 63 63 ARG CA C 13 58.282 0.02 . 1 . . . . 63 ARG CA . 15471 1 785 . 1 1 63 63 ARG CB C 13 30.476 0.02 . 1 . . . . 63 ARG CB . 15471 1 786 . 1 1 63 63 ARG CD C 13 44.269 0.02 . 1 . . . . 63 ARG CD . 15471 1 787 . 1 1 63 63 ARG CG C 13 27.310 0.02 . 1 . . . . 63 ARG CG . 15471 1 788 . 1 1 63 63 ARG N N 15 123.037 0.02 . 1 . . . . 63 ARG N . 15471 1 789 . 1 1 63 63 ARG NE N 15 85.187 0.02 . 1 . . . . 63 ARG NE . 15471 1 790 . 1 1 64 64 ILE H H 1 7.936 0.02 . 1 . . . . 64 ILE H . 15471 1 791 . 1 1 64 64 ILE HA H 1 4.816 0.02 . 1 . . . . 64 ILE HA . 15471 1 792 . 1 1 64 64 ILE HB H 1 1.984 0.02 . 1 . . . . 64 ILE HB . 15471 1 793 . 1 1 64 64 ILE HD11 H 1 0.968 0.02 . 1 . . . . 64 ILE QD1 . 15471 1 794 . 1 1 64 64 ILE HD12 H 1 0.968 0.02 . 1 . . . . 64 ILE QD1 . 15471 1 795 . 1 1 64 64 ILE HD13 H 1 0.968 0.02 . 1 . . . . 64 ILE QD1 . 15471 1 796 . 1 1 64 64 ILE HG12 H 1 0.955 0.02 . 2 . . . . 64 ILE HG12 . 15471 1 797 . 1 1 64 64 ILE HG13 H 1 1.583 0.02 . 2 . . . . 64 ILE HG13 . 15471 1 798 . 1 1 64 64 ILE HG21 H 1 0.915 0.02 . 1 . . . . 64 ILE QG2 . 15471 1 799 . 1 1 64 64 ILE HG22 H 1 0.915 0.02 . 1 . . . . 64 ILE QG2 . 15471 1 800 . 1 1 64 64 ILE HG23 H 1 0.915 0.02 . 1 . . . . 64 ILE QG2 . 15471 1 801 . 1 1 64 64 ILE C C 13 176.649 0.02 . 1 . . . . 64 ILE C . 15471 1 802 . 1 1 64 64 ILE CA C 13 61.290 0.02 . 1 . . . . 64 ILE CA . 15471 1 803 . 1 1 64 64 ILE CB C 13 39.078 0.02 . 1 . . . . 64 ILE CB . 15471 1 804 . 1 1 64 64 ILE CD1 C 13 15.425 0.02 . 1 . . . . 64 ILE CD1 . 15471 1 805 . 1 1 64 64 ILE CG1 C 13 28.780 0.02 . 1 . . . . 64 ILE CG1 . 15471 1 806 . 1 1 64 64 ILE CG2 C 13 18.065 0.02 . 1 . . . . 64 ILE CG2 . 15471 1 807 . 1 1 64 64 ILE N N 15 119.492 0.02 . 1 . . . . 64 ILE N . 15471 1 808 . 1 1 65 65 THR H H 1 9.296 0.02 . 1 . . . . 65 THR H . 15471 1 809 . 1 1 65 65 THR HA H 1 4.552 0.02 . 1 . . . . 65 THR HA . 15471 1 810 . 1 1 65 65 THR HB H 1 4.750 0.02 . 1 . . . . 65 THR HB . 15471 1 811 . 1 1 65 65 THR HG21 H 1 1.412 0.02 . 1 . . . . 65 THR QG2 . 15471 1 812 . 1 1 65 65 THR HG22 H 1 1.412 0.02 . 1 . . . . 65 THR QG2 . 15471 1 813 . 1 1 65 65 THR HG23 H 1 1.412 0.02 . 1 . . . . 65 THR QG2 . 15471 1 814 . 1 1 65 65 THR C C 13 177.456 0.02 . 1 . . . . 65 THR C . 15471 1 815 . 1 1 65 65 THR CA C 13 62.185 0.02 . 1 . . . . 65 THR CA . 15471 1 816 . 1 1 65 65 THR CB C 13 72.215 0.02 . 1 . . . . 65 THR CB . 15471 1 817 . 1 1 65 65 THR CG2 C 13 22.708 0.02 . 1 . . . . 65 THR CG2 . 15471 1 818 . 1 1 65 65 THR N N 15 119.333 0.02 . 1 . . . . 65 THR N . 15471 1 819 . 1 1 66 66 SER H H 1 9.140 0.02 . 1 . . . . 66 SER H . 15471 1 820 . 1 1 66 66 SER HA H 1 4.276 0.02 . 1 . . . . 66 SER HA . 15471 1 821 . 1 1 66 66 SER HB2 H 1 3.975 0.02 . 2 . . . . 66 SER HB2 . 15471 1 822 . 1 1 66 66 SER HB3 H 1 4.024 0.02 . 2 . . . . 66 SER HB3 . 15471 1 823 . 1 1 66 66 SER C C 13 174.696 0.02 . 1 . . . . 66 SER C . 15471 1 824 . 1 1 66 66 SER CA C 13 61.639 0.02 . 1 . . . . 66 SER CA . 15471 1 825 . 1 1 66 66 SER CB C 13 63.510 0.02 . 1 . . . . 66 SER CB . 15471 1 826 . 1 1 66 66 SER N N 15 117.615 0.02 . 1 . . . . 66 SER N . 15471 1 827 . 1 1 67 67 ASP H H 1 7.998 0.02 . 1 . . . . 67 ASP H . 15471 1 828 . 1 1 67 67 ASP HA H 1 4.719 0.02 . 1 . . . . 67 ASP HA . 15471 1 829 . 1 1 67 67 ASP HB2 H 1 2.680 0.02 . 2 . . . . 67 ASP HB2 . 15471 1 830 . 1 1 67 67 ASP HB3 H 1 2.725 0.02 . 2 . . . . 67 ASP HB3 . 15471 1 831 . 1 1 67 67 ASP C C 13 175.545 0.02 . 1 . . . . 67 ASP C . 15471 1 832 . 1 1 67 67 ASP CA C 13 54.165 0.02 . 1 . . . . 67 ASP CA . 15471 1 833 . 1 1 67 67 ASP CB C 13 40.897 0.02 . 1 . . . . 67 ASP CB . 15471 1 834 . 1 1 67 67 ASP N N 15 118.172 0.02 . 1 . . . . 67 ASP N . 15471 1 835 . 1 1 68 68 GLY H H 1 8.189 0.02 . 1 . . . . 68 GLY H . 15471 1 836 . 1 1 68 68 GLY HA2 H 1 3.893 0.02 . 2 . . . . 68 GLY HA2 . 15471 1 837 . 1 1 68 68 GLY HA3 H 1 3.490 0.02 . 2 . . . . 68 GLY HA3 . 15471 1 838 . 1 1 68 68 GLY C C 13 172.383 0.02 . 1 . . . . 68 GLY C . 15471 1 839 . 1 1 68 68 GLY CA C 13 48.003 0.02 . 1 . . . . 68 GLY CA . 15471 1 840 . 1 1 68 68 GLY N N 15 109.061 0.02 . 1 . . . . 68 GLY N . 15471 1 841 . 1 1 69 69 VAL H H 1 7.532 0.02 . 1 . . . . 69 VAL H . 15471 1 842 . 1 1 69 69 VAL HA H 1 4.686 0.02 . 1 . . . . 69 VAL HA . 15471 1 843 . 1 1 69 69 VAL HB H 1 2.038 0.02 . 1 . . . . 69 VAL HB . 15471 1 844 . 1 1 69 69 VAL HG11 H 1 0.740 0.02 . 2 . . . . 69 VAL QG1 . 15471 1 845 . 1 1 69 69 VAL HG12 H 1 0.740 0.02 . 2 . . . . 69 VAL QG1 . 15471 1 846 . 1 1 69 69 VAL HG13 H 1 0.740 0.02 . 2 . . . . 69 VAL QG1 . 15471 1 847 . 1 1 69 69 VAL HG21 H 1 0.652 0.02 . 2 . . . . 69 VAL QG2 . 15471 1 848 . 1 1 69 69 VAL HG22 H 1 0.652 0.02 . 2 . . . . 69 VAL QG2 . 15471 1 849 . 1 1 69 69 VAL HG23 H 1 0.652 0.02 . 2 . . . . 69 VAL QG2 . 15471 1 850 . 1 1 69 69 VAL C C 13 175.100 0.02 . 1 . . . . 69 VAL C . 15471 1 851 . 1 1 69 69 VAL CA C 13 61.267 0.02 . 1 . . . . 69 VAL CA . 15471 1 852 . 1 1 69 69 VAL CB C 13 34.217 0.02 . 1 . . . . 69 VAL CB . 15471 1 853 . 1 1 69 69 VAL CG1 C 13 22.793 0.02 . 1 . . . . 69 VAL CG1 . 15471 1 854 . 1 1 69 69 VAL CG2 C 13 22.012 0.02 . 1 . . . . 69 VAL CG2 . 15471 1 855 . 1 1 69 69 VAL N N 15 121.005 0.02 . 1 . . . . 69 VAL N . 15471 1 856 . 1 1 70 70 ILE H H 1 9.261 0.02 . 1 . . . . 70 ILE H . 15471 1 857 . 1 1 70 70 ILE HA H 1 4.818 0.02 . 1 . . . . 70 ILE HA . 15471 1 858 . 1 1 70 70 ILE HB H 1 2.002 0.02 . 1 . . . . 70 ILE HB . 15471 1 859 . 1 1 70 70 ILE HD11 H 1 0.741 0.02 . 1 . . . . 70 ILE QD1 . 15471 1 860 . 1 1 70 70 ILE HD12 H 1 0.741 0.02 . 1 . . . . 70 ILE QD1 . 15471 1 861 . 1 1 70 70 ILE HD13 H 1 0.741 0.02 . 1 . . . . 70 ILE QD1 . 15471 1 862 . 1 1 70 70 ILE HG12 H 1 1.968 0.02 . 2 . . . . 70 ILE HG12 . 15471 1 863 . 1 1 70 70 ILE HG13 H 1 1.122 0.02 . 2 . . . . 70 ILE HG13 . 15471 1 864 . 1 1 70 70 ILE HG21 H 1 0.939 0.02 . 1 . . . . 70 ILE QG2 . 15471 1 865 . 1 1 70 70 ILE HG22 H 1 0.939 0.02 . 1 . . . . 70 ILE QG2 . 15471 1 866 . 1 1 70 70 ILE HG23 H 1 0.939 0.02 . 1 . . . . 70 ILE QG2 . 15471 1 867 . 1 1 70 70 ILE C C 13 174.824 0.02 . 1 . . . . 70 ILE C . 15471 1 868 . 1 1 70 70 ILE CA C 13 62.105 0.02 . 1 . . . . 70 ILE CA . 15471 1 869 . 1 1 70 70 ILE CB C 13 39.745 0.02 . 1 . . . . 70 ILE CB . 15471 1 870 . 1 1 70 70 ILE CD1 C 13 17.615 0.02 . 1 . . . . 70 ILE CD1 . 15471 1 871 . 1 1 70 70 ILE CG1 C 13 29.016 0.02 . 1 . . . . 70 ILE CG1 . 15471 1 872 . 1 1 70 70 ILE CG2 C 13 14.794 0.02 . 1 . . . . 70 ILE CG2 . 15471 1 873 . 1 1 70 70 ILE N N 15 127.489 0.02 . 1 . . . . 70 ILE N . 15471 1 874 . 1 1 71 71 VAL H H 1 8.544 0.02 . 1 . . . . 71 VAL H . 15471 1 875 . 1 1 71 71 VAL HA H 1 5.217 0.02 . 1 . . . . 71 VAL HA . 15471 1 876 . 1 1 71 71 VAL HB H 1 1.936 0.02 . 1 . . . . 71 VAL HB . 15471 1 877 . 1 1 71 71 VAL HG11 H 1 0.936 0.02 . 2 . . . . 71 VAL QG1 . 15471 1 878 . 1 1 71 71 VAL HG12 H 1 0.936 0.02 . 2 . . . . 71 VAL QG1 . 15471 1 879 . 1 1 71 71 VAL HG13 H 1 0.936 0.02 . 2 . . . . 71 VAL QG1 . 15471 1 880 . 1 1 71 71 VAL HG21 H 1 0.829 0.02 . 2 . . . . 71 VAL QG2 . 15471 1 881 . 1 1 71 71 VAL HG22 H 1 0.829 0.02 . 2 . . . . 71 VAL QG2 . 15471 1 882 . 1 1 71 71 VAL HG23 H 1 0.829 0.02 . 2 . . . . 71 VAL QG2 . 15471 1 883 . 1 1 71 71 VAL C C 13 175.439 0.02 . 1 . . . . 71 VAL C . 15471 1 884 . 1 1 71 71 VAL CA C 13 61.078 0.02 . 1 . . . . 71 VAL CA . 15471 1 885 . 1 1 71 71 VAL CB C 13 35.083 0.02 . 1 . . . . 71 VAL CB . 15471 1 886 . 1 1 71 71 VAL CG1 C 13 21.585 0.02 . 1 . . . . 71 VAL CG1 . 15471 1 887 . 1 1 71 71 VAL CG2 C 13 22.479 0.02 . 1 . . . . 71 VAL CG2 . 15471 1 888 . 1 1 71 71 VAL N N 15 127.498 0.02 . 1 . . . . 71 VAL N . 15471 1 889 . 1 1 72 72 LEU H H 1 8.704 0.02 . 1 . . . . 72 LEU H . 15471 1 890 . 1 1 72 72 LEU HA H 1 4.833 0.02 . 1 . . . . 72 LEU HA . 15471 1 891 . 1 1 72 72 LEU HB2 H 1 1.640 0.02 . 2 . . . . 72 LEU HB2 . 15471 1 892 . 1 1 72 72 LEU HB3 H 1 1.496 0.02 . 2 . . . . 72 LEU HB3 . 15471 1 893 . 1 1 72 72 LEU HD11 H 1 0.850 0.02 . 2 . . . . 72 LEU QD1 . 15471 1 894 . 1 1 72 72 LEU HD12 H 1 0.850 0.02 . 2 . . . . 72 LEU QD1 . 15471 1 895 . 1 1 72 72 LEU HD13 H 1 0.850 0.02 . 2 . . . . 72 LEU QD1 . 15471 1 896 . 1 1 72 72 LEU HD21 H 1 0.786 0.02 . 2 . . . . 72 LEU QD2 . 15471 1 897 . 1 1 72 72 LEU HD22 H 1 0.786 0.02 . 2 . . . . 72 LEU QD2 . 15471 1 898 . 1 1 72 72 LEU HD23 H 1 0.786 0.02 . 2 . . . . 72 LEU QD2 . 15471 1 899 . 1 1 72 72 LEU HG H 1 1.567 0.02 . 1 . . . . 72 LEU HG . 15471 1 900 . 1 1 72 72 LEU C C 13 174.633 0.02 . 1 . . . . 72 LEU C . 15471 1 901 . 1 1 72 72 LEU CA C 13 54.078 0.02 . 1 . . . . 72 LEU CA . 15471 1 902 . 1 1 72 72 LEU CB C 13 46.052 0.02 . 1 . . . . 72 LEU CB . 15471 1 903 . 1 1 72 72 LEU CD1 C 13 25.482 0.02 . 1 . . . . 72 LEU CD1 . 15471 1 904 . 1 1 72 72 LEU CD2 C 13 26.707 0.02 . 1 . . . . 72 LEU CD2 . 15471 1 905 . 1 1 72 72 LEU CG C 13 27.112 0.02 . 1 . . . . 72 LEU CG . 15471 1 906 . 1 1 72 72 LEU N N 15 123.352 0.02 . 1 . . . . 72 LEU N . 15471 1 907 . 1 1 73 73 LYS H H 1 8.631 0.02 . 1 . . . . 73 LYS H . 15471 1 908 . 1 1 73 73 LYS HA H 1 4.887 0.02 . 1 . . . . 73 LYS HA . 15471 1 909 . 1 1 73 73 LYS HB2 H 1 1.696 0.02 . 2 . . . . 73 LYS HB2 . 15471 1 910 . 1 1 73 73 LYS HB3 H 1 1.673 0.02 . 2 . . . . 73 LYS HB3 . 15471 1 911 . 1 1 73 73 LYS HD2 H 1 1.602 0.02 . 2 . . . . 73 LYS HD2 . 15471 1 912 . 1 1 73 73 LYS HD3 H 1 1.602 0.02 . 2 . . . . 73 LYS HD3 . 15471 1 913 . 1 1 73 73 LYS HE2 H 1 2.836 0.02 . 2 . . . . 73 LYS HE2 . 15471 1 914 . 1 1 73 73 LYS HE3 H 1 2.827 0.02 . 2 . . . . 73 LYS HE3 . 15471 1 915 . 1 1 73 73 LYS HG2 H 1 1.119 0.02 . 2 . . . . 73 LYS HG2 . 15471 1 916 . 1 1 73 73 LYS HG3 H 1 1.285 0.02 . 2 . . . . 73 LYS HG3 . 15471 1 917 . 1 1 73 73 LYS C C 13 174.803 0.02 . 1 . . . . 73 LYS C . 15471 1 918 . 1 1 73 73 LYS CA C 13 56.117 0.02 . 1 . . . . 73 LYS CA . 15471 1 919 . 1 1 73 73 LYS CB C 13 35.548 0.02 . 1 . . . . 73 LYS CB . 15471 1 920 . 1 1 73 73 LYS CD C 13 30.250 0.02 . 1 . . . . 73 LYS CD . 15471 1 921 . 1 1 73 73 LYS CE C 13 42.731 0.02 . 1 . . . . 73 LYS CE . 15471 1 922 . 1 1 73 73 LYS CG C 13 26.088 0.02 . 1 . . . . 73 LYS CG . 15471 1 923 . 1 1 73 73 LYS N N 15 121.944 0.02 . 1 . . . . 73 LYS N . 15471 1 924 . 1 1 74 74 ALA H H 1 8.998 0.02 . 1 . . . . 74 ALA H . 15471 1 925 . 1 1 74 74 ALA HA H 1 4.763 0.02 . 1 . . . . 74 ALA HA . 15471 1 926 . 1 1 74 74 ALA HB1 H 1 1.405 0.02 . 1 . . . . 74 ALA QB . 15471 1 927 . 1 1 74 74 ALA HB2 H 1 1.405 0.02 . 1 . . . . 74 ALA QB . 15471 1 928 . 1 1 74 74 ALA HB3 H 1 1.405 0.02 . 1 . . . . 74 ALA QB . 15471 1 929 . 1 1 74 74 ALA C C 13 174.887 0.02 . 1 . . . . 74 ALA C . 15471 1 930 . 1 1 74 74 ALA CA C 13 52.521 0.02 . 1 . . . . 74 ALA CA . 15471 1 931 . 1 1 74 74 ALA CB C 13 22.599 0.02 . 1 . . . . 74 ALA CB . 15471 1 932 . 1 1 74 74 ALA N N 15 130.065 0.02 . 1 . . . . 74 ALA N . 15471 1 933 . 1 1 75 75 GLN H H 1 8.990 0.02 . 1 . . . . 75 GLN H . 15471 1 934 . 1 1 75 75 GLN HA H 1 4.783 0.02 . 1 . . . . 75 GLN HA . 15471 1 935 . 1 1 75 75 GLN HB2 H 1 2.192 0.02 . 2 . . . . 75 GLN HB2 . 15471 1 936 . 1 1 75 75 GLN HB3 H 1 1.802 0.02 . 2 . . . . 75 GLN HB3 . 15471 1 937 . 1 1 75 75 GLN HE21 H 1 7.484 0.02 . 2 . . . . 75 GLN HE21 . 15471 1 938 . 1 1 75 75 GLN HE22 H 1 6.812 0.02 . 2 . . . . 75 GLN HE22 . 15471 1 939 . 1 1 75 75 GLN HG2 H 1 2.130 0.02 . 2 . . . . 75 GLN HG2 . 15471 1 940 . 1 1 75 75 GLN HG3 H 1 2.130 0.02 . 2 . . . . 75 GLN HG3 . 15471 1 941 . 1 1 75 75 GLN C C 13 175.057 0.02 . 1 . . . . 75 GLN C . 15471 1 942 . 1 1 75 75 GLN CA C 13 54.617 0.02 . 1 . . . . 75 GLN CA . 15471 1 943 . 1 1 75 75 GLN CB C 13 31.835 0.02 . 1 . . . . 75 GLN CB . 15471 1 944 . 1 1 75 75 GLN CG C 13 33.479 0.02 . 1 . . . . 75 GLN CG . 15471 1 945 . 1 1 75 75 GLN N N 15 121.800 0.02 . 1 . . . . 75 GLN N . 15471 1 946 . 1 1 75 75 GLN NE2 N 15 112.322 0.02 . 1 . . . . 75 GLN NE2 . 15471 1 947 . 1 1 76 76 GLN H H 1 8.996 0.02 . 1 . . . . 76 GLN H . 15471 1 948 . 1 1 76 76 GLN HA H 1 3.927 0.02 . 1 . . . . 76 GLN HA . 15471 1 949 . 1 1 76 76 GLN HB2 H 1 1.502 0.02 . 2 . . . . 76 GLN HB2 . 15471 1 950 . 1 1 76 76 GLN HB3 H 1 1.780 0.02 . 2 . . . . 76 GLN HB3 . 15471 1 951 . 1 1 76 76 GLN HE21 H 1 7.343 0.02 . 2 . . . . 76 GLN HE21 . 15471 1 952 . 1 1 76 76 GLN HE22 H 1 6.776 0.02 . 2 . . . . 76 GLN HE22 . 15471 1 953 . 1 1 76 76 GLN HG2 H 1 1.822 0.02 . 2 . . . . 76 GLN HG2 . 15471 1 954 . 1 1 76 76 GLN HG3 H 1 1.854 0.02 . 2 . . . . 76 GLN HG3 . 15471 1 955 . 1 1 76 76 GLN C C 13 176.416 0.02 . 1 . . . . 76 GLN C . 15471 1 956 . 1 1 76 76 GLN CA C 13 59.058 0.02 . 1 . . . . 76 GLN CA . 15471 1 957 . 1 1 76 76 GLN CB C 13 30.029 0.02 . 1 . . . . 76 GLN CB . 15471 1 958 . 1 1 76 76 GLN CG C 13 34.242 0.02 . 1 . . . . 76 GLN CG . 15471 1 959 . 1 1 76 76 GLN N N 15 122.872 0.02 . 1 . . . . 76 GLN N . 15471 1 960 . 1 1 76 76 GLN NE2 N 15 113.091 0.02 . 1 . . . . 76 GLN NE2 . 15471 1 961 . 1 1 77 77 TYR H H 1 8.655 0.02 . 1 . . . . 77 TYR H . 15471 1 962 . 1 1 77 77 TYR HA H 1 4.821 0.02 . 1 . . . . 77 TYR HA . 15471 1 963 . 1 1 77 77 TYR HB2 H 1 3.247 0.02 . 2 . . . . 77 TYR HB2 . 15471 1 964 . 1 1 77 77 TYR HB3 H 1 2.474 0.02 . 2 . . . . 77 TYR HB3 . 15471 1 965 . 1 1 77 77 TYR HD1 H 1 7.091 0.02 . 1 . . . . 77 TYR HD1 . 15471 1 966 . 1 1 77 77 TYR HD2 H 1 7.091 0.02 . 1 . . . . 77 TYR HD2 . 15471 1 967 . 1 1 77 77 TYR HE1 H 1 6.713 0.02 . 1 . . . . 77 TYR HE1 . 15471 1 968 . 1 1 77 77 TYR HE2 H 1 6.713 0.02 . 1 . . . . 77 TYR HE2 . 15471 1 969 . 1 1 77 77 TYR C C 13 176.501 0.02 . 1 . . . . 77 TYR C . 15471 1 970 . 1 1 77 77 TYR CA C 13 57.853 0.02 . 1 . . . . 77 TYR CA . 15471 1 971 . 1 1 77 77 TYR CB C 13 41.152 0.02 . 1 . . . . 77 TYR CB . 15471 1 972 . 1 1 77 77 TYR CD1 C 13 133.849 0.02 . 1 . . . . 77 TYR CD1 . 15471 1 973 . 1 1 77 77 TYR CE1 C 13 118.800 0.02 . 1 . . . . 77 TYR CE1 . 15471 1 974 . 1 1 77 77 TYR N N 15 117.344 0.02 . 1 . . . . 77 TYR N . 15471 1 975 . 1 1 78 78 ARG H H 1 8.920 0.02 . 1 . . . . 78 ARG H . 15471 1 976 . 1 1 78 78 ARG HA H 1 4.387 0.02 . 1 . . . . 78 ARG HA . 15471 1 977 . 1 1 78 78 ARG HB2 H 1 1.935 0.02 . 2 . . . . 78 ARG HB2 . 15471 1 978 . 1 1 78 78 ARG HB3 H 1 2.101 0.02 . 2 . . . . 78 ARG HB3 . 15471 1 979 . 1 1 78 78 ARG HD2 H 1 3.267 0.02 . 2 . . . . 78 ARG HD2 . 15471 1 980 . 1 1 78 78 ARG HD3 H 1 3.267 0.02 . 2 . . . . 78 ARG HD3 . 15471 1 981 . 1 1 78 78 ARG HG2 H 1 1.786 0.02 . 2 . . . . 78 ARG HG2 . 15471 1 982 . 1 1 78 78 ARG HG3 H 1 1.716 0.02 . 2 . . . . 78 ARG HG3 . 15471 1 983 . 1 1 78 78 ARG C C 13 176.437 0.02 . 1 . . . . 78 ARG C . 15471 1 984 . 1 1 78 78 ARG CA C 13 57.971 0.02 . 1 . . . . 78 ARG CA . 15471 1 985 . 1 1 78 78 ARG CB C 13 31.817 0.02 . 1 . . . . 78 ARG CB . 15471 1 986 . 1 1 78 78 ARG CD C 13 44.006 0.02 . 1 . . . . 78 ARG CD . 15471 1 987 . 1 1 78 78 ARG CG C 13 28.202 0.02 . 1 . . . . 78 ARG CG . 15471 1 988 . 1 1 78 78 ARG N N 15 118.686 0.02 . 1 . . . . 78 ARG N . 15471 1 989 . 1 1 79 79 THR H H 1 7.227 0.02 . 1 . . . . 79 THR H . 15471 1 990 . 1 1 79 79 THR HA H 1 4.911 0.02 . 1 . . . . 79 THR HA . 15471 1 991 . 1 1 79 79 THR HB H 1 4.614 0.02 . 1 . . . . 79 THR HB . 15471 1 992 . 1 1 79 79 THR HG21 H 1 1.223 0.02 . 1 . . . . 79 THR QG2 . 15471 1 993 . 1 1 79 79 THR HG22 H 1 1.223 0.02 . 1 . . . . 79 THR QG2 . 15471 1 994 . 1 1 79 79 THR HG23 H 1 1.223 0.02 . 1 . . . . 79 THR QG2 . 15471 1 995 . 1 1 79 79 THR C C 13 174.314 0.02 . 1 . . . . 79 THR C . 15471 1 996 . 1 1 79 79 THR CA C 13 59.754 0.02 . 1 . . . . 79 THR CA . 15471 1 997 . 1 1 79 79 THR CB C 13 72.787 0.02 . 1 . . . . 79 THR CB . 15471 1 998 . 1 1 79 79 THR CG2 C 13 22.064 0.02 . 1 . . . . 79 THR CG2 . 15471 1 999 . 1 1 79 79 THR N N 15 105.648 0.02 . 1 . . . . 79 THR N . 15471 1 1000 . 1 1 80 80 GLN H H 1 9.290 0.02 . 1 . . . . 80 GLN H . 15471 1 1001 . 1 1 80 80 GLN HA H 1 4.368 0.02 . 1 . . . . 80 GLN HA . 15471 1 1002 . 1 1 80 80 GLN HB2 H 1 2.092 0.02 . 2 . . . . 80 GLN HB2 . 15471 1 1003 . 1 1 80 80 GLN HB3 H 1 2.114 0.02 . 2 . . . . 80 GLN HB3 . 15471 1 1004 . 1 1 80 80 GLN HE21 H 1 7.756 0.02 . 2 . . . . 80 GLN HE21 . 15471 1 1005 . 1 1 80 80 GLN HE22 H 1 6.908 0.02 . 2 . . . . 80 GLN HE22 . 15471 1 1006 . 1 1 80 80 GLN HG2 H 1 2.381 0.02 . 2 . . . . 80 GLN HG2 . 15471 1 1007 . 1 1 80 80 GLN HG3 H 1 2.639 0.02 . 2 . . . . 80 GLN HG3 . 15471 1 1008 . 1 1 80 80 GLN C C 13 178.665 0.02 . 1 . . . . 80 GLN C . 15471 1 1009 . 1 1 80 80 GLN CA C 13 60.126 0.02 . 1 . . . . 80 GLN CA . 15471 1 1010 . 1 1 80 80 GLN CB C 13 29.632 0.02 . 1 . . . . 80 GLN CB . 15471 1 1011 . 1 1 80 80 GLN CG C 13 35.792 0.02 . 1 . . . . 80 GLN CG . 15471 1 1012 . 1 1 80 80 GLN N N 15 124.247 0.02 . 1 . . . . 80 GLN N . 15471 1 1013 . 1 1 80 80 GLN NE2 N 15 112.835 0.02 . 1 . . . . 80 GLN NE2 . 15471 1 1014 . 1 1 81 81 GLU H H 1 9.252 0.02 . 1 . . . . 81 GLU H . 15471 1 1015 . 1 1 81 81 GLU HA H 1 3.971 0.02 . 1 . . . . 81 GLU HA . 15471 1 1016 . 1 1 81 81 GLU HB2 H 1 2.081 0.02 . 2 . . . . 81 GLU HB2 . 15471 1 1017 . 1 1 81 81 GLU HB3 H 1 1.928 0.02 . 2 . . . . 81 GLU HB3 . 15471 1 1018 . 1 1 81 81 GLU HG2 H 1 2.287 0.02 . 2 . . . . 81 GLU HG2 . 15471 1 1019 . 1 1 81 81 GLU HG3 H 1 2.420 0.02 . 2 . . . . 81 GLU HG3 . 15471 1 1020 . 1 1 81 81 GLU C C 13 179.599 0.02 . 1 . . . . 81 GLU C . 15471 1 1021 . 1 1 81 81 GLU CA C 13 61.175 0.02 . 1 . . . . 81 GLU CA . 15471 1 1022 . 1 1 81 81 GLU CB C 13 29.595 0.02 . 1 . . . . 81 GLU CB . 15471 1 1023 . 1 1 81 81 GLU CG C 13 37.059 0.02 . 1 . . . . 81 GLU CG . 15471 1 1024 . 1 1 81 81 GLU N N 15 119.222 0.02 . 1 . . . . 81 GLU N . 15471 1 1025 . 1 1 82 82 GLN H H 1 7.603 0.02 . 1 . . . . 82 GLN H . 15471 1 1026 . 1 1 82 82 GLN HA H 1 3.961 0.02 . 1 . . . . 82 GLN HA . 15471 1 1027 . 1 1 82 82 GLN HB2 H 1 1.472 0.02 . 2 . . . . 82 GLN HB2 . 15471 1 1028 . 1 1 82 82 GLN HB3 H 1 1.951 0.02 . 2 . . . . 82 GLN HB3 . 15471 1 1029 . 1 1 82 82 GLN HE21 H 1 7.427 0.02 . 2 . . . . 82 GLN HE21 . 15471 1 1030 . 1 1 82 82 GLN HE22 H 1 6.906 0.02 . 2 . . . . 82 GLN HE22 . 15471 1 1031 . 1 1 82 82 GLN HG2 H 1 2.104 0.02 . 2 . . . . 82 GLN HG2 . 15471 1 1032 . 1 1 82 82 GLN HG3 H 1 2.110 0.02 . 2 . . . . 82 GLN HG3 . 15471 1 1033 . 1 1 82 82 GLN C C 13 179.238 0.02 . 1 . . . . 82 GLN C . 15471 1 1034 . 1 1 82 82 GLN CA C 13 59.209 0.02 . 1 . . . . 82 GLN CA . 15471 1 1035 . 1 1 82 82 GLN CB C 13 30.246 0.02 . 1 . . . . 82 GLN CB . 15471 1 1036 . 1 1 82 82 GLN CG C 13 35.679 0.02 . 1 . . . . 82 GLN CG . 15471 1 1037 . 1 1 82 82 GLN N N 15 118.416 0.02 . 1 . . . . 82 GLN N . 15471 1 1038 . 1 1 82 82 GLN NE2 N 15 113.862 0.02 . 1 . . . . 82 GLN NE2 . 15471 1 1039 . 1 1 83 83 ASN H H 1 7.949 0.02 . 1 . . . . 83 ASN H . 15471 1 1040 . 1 1 83 83 ASN HA H 1 4.793 0.02 . 1 . . . . 83 ASN HA . 15471 1 1041 . 1 1 83 83 ASN HB2 H 1 2.859 0.02 . 2 . . . . 83 ASN HB2 . 15471 1 1042 . 1 1 83 83 ASN HB3 H 1 2.839 0.02 . 2 . . . . 83 ASN HB3 . 15471 1 1043 . 1 1 83 83 ASN HD21 H 1 7.353 0.02 . 2 . . . . 83 ASN HD21 . 15471 1 1044 . 1 1 83 83 ASN HD22 H 1 6.873 0.02 . 2 . . . . 83 ASN HD22 . 15471 1 1045 . 1 1 83 83 ASN C C 13 176.437 0.02 . 1 . . . . 83 ASN C . 15471 1 1046 . 1 1 83 83 ASN CA C 13 57.522 0.02 . 1 . . . . 83 ASN CA . 15471 1 1047 . 1 1 83 83 ASN CB C 13 38.222 0.02 . 1 . . . . 83 ASN CB . 15471 1 1048 . 1 1 83 83 ASN N N 15 119.639 0.02 . 1 . . . . 83 ASN N . 15471 1 1049 . 1 1 83 83 ASN ND2 N 15 117.199 0.02 . 1 . . . . 83 ASN ND2 . 15471 1 1050 . 1 1 84 84 ARG H H 1 9.170 0.02 . 1 . . . . 84 ARG H . 15471 1 1051 . 1 1 84 84 ARG HA H 1 3.686 0.02 . 1 . . . . 84 ARG HA . 15471 1 1052 . 1 1 84 84 ARG HB2 H 1 1.923 0.02 . 2 . . . . 84 ARG HB2 . 15471 1 1053 . 1 1 84 84 ARG HB3 H 1 1.914 0.02 . 2 . . . . 84 ARG HB3 . 15471 1 1054 . 1 1 84 84 ARG HD2 H 1 3.212 0.02 . 2 . . . . 84 ARG HD2 . 15471 1 1055 . 1 1 84 84 ARG HD3 H 1 3.228 0.02 . 2 . . . . 84 ARG HD3 . 15471 1 1056 . 1 1 84 84 ARG HG2 H 1 1.540 0.02 . 2 . . . . 84 ARG HG2 . 15471 1 1057 . 1 1 84 84 ARG HG3 H 1 1.575 0.02 . 2 . . . . 84 ARG HG3 . 15471 1 1058 . 1 1 84 84 ARG C C 13 176.479 0.02 . 1 . . . . 84 ARG C . 15471 1 1059 . 1 1 84 84 ARG CA C 13 61.110 0.02 . 1 . . . . 84 ARG CA . 15471 1 1060 . 1 1 84 84 ARG CB C 13 31.149 0.02 . 1 . . . . 84 ARG CB . 15471 1 1061 . 1 1 84 84 ARG CD C 13 43.877 0.02 . 1 . . . . 84 ARG CD . 15471 1 1062 . 1 1 84 84 ARG CG C 13 29.056 0.02 . 1 . . . . 84 ARG CG . 15471 1 1063 . 1 1 84 84 ARG N N 15 123.844 0.02 . 1 . . . . 84 ARG N . 15471 1 1064 . 1 1 85 85 ALA H H 1 7.416 0.02 . 1 . . . . 85 ALA H . 15471 1 1065 . 1 1 85 85 ALA HA H 1 4.023 0.02 . 1 . . . . 85 ALA HA . 15471 1 1066 . 1 1 85 85 ALA HB1 H 1 1.431 0.02 . 1 . . . . 85 ALA QB . 15471 1 1067 . 1 1 85 85 ALA HB2 H 1 1.431 0.02 . 1 . . . . 85 ALA QB . 15471 1 1068 . 1 1 85 85 ALA HB3 H 1 1.431 0.02 . 1 . . . . 85 ALA QB . 15471 1 1069 . 1 1 85 85 ALA C C 13 180.427 0.02 . 1 . . . . 85 ALA C . 15471 1 1070 . 1 1 85 85 ALA CA C 13 55.793 0.02 . 1 . . . . 85 ALA CA . 15471 1 1071 . 1 1 85 85 ALA CB C 13 18.736 0.02 . 1 . . . . 85 ALA CB . 15471 1 1072 . 1 1 85 85 ALA N N 15 119.244 0.02 . 1 . . . . 85 ALA N . 15471 1 1073 . 1 1 86 86 ASP H H 1 7.872 0.02 . 1 . . . . 86 ASP H . 15471 1 1074 . 1 1 86 86 ASP HA H 1 4.539 0.02 . 1 . . . . 86 ASP HA . 15471 1 1075 . 1 1 86 86 ASP HB2 H 1 2.920 0.02 . 2 . . . . 86 ASP HB2 . 15471 1 1076 . 1 1 86 86 ASP HB3 H 1 2.944 0.02 . 2 . . . . 86 ASP HB3 . 15471 1 1077 . 1 1 86 86 ASP C C 13 177.095 0.02 . 1 . . . . 86 ASP C . 15471 1 1078 . 1 1 86 86 ASP CA C 13 58.207 0.02 . 1 . . . . 86 ASP CA . 15471 1 1079 . 1 1 86 86 ASP CB C 13 44.314 0.02 . 1 . . . . 86 ASP CB . 15471 1 1080 . 1 1 86 86 ASP N N 15 118.731 0.02 . 1 . . . . 86 ASP N . 15471 1 1081 . 1 1 87 87 ALA H H 1 8.334 0.02 . 1 . . . . 87 ALA H . 15471 1 1082 . 1 1 87 87 ALA HA H 1 3.770 0.02 . 1 . . . . 87 ALA HA . 15471 1 1083 . 1 1 87 87 ALA HB1 H 1 1.361 0.02 . 1 . . . . 87 ALA QB . 15471 1 1084 . 1 1 87 87 ALA HB2 H 1 1.361 0.02 . 1 . . . . 87 ALA QB . 15471 1 1085 . 1 1 87 87 ALA HB3 H 1 1.361 0.02 . 1 . . . . 87 ALA QB . 15471 1 1086 . 1 1 87 87 ALA C C 13 178.559 0.02 . 1 . . . . 87 ALA C . 15471 1 1087 . 1 1 87 87 ALA CA C 13 56.256 0.02 . 1 . . . . 87 ALA CA . 15471 1 1088 . 1 1 87 87 ALA CB C 13 18.285 0.02 . 1 . . . . 87 ALA CB . 15471 1 1089 . 1 1 87 87 ALA N N 15 121.276 0.02 . 1 . . . . 87 ALA N . 15471 1 1090 . 1 1 88 88 LEU H H 1 7.676 0.02 . 1 . . . . 88 LEU H . 15471 1 1091 . 1 1 88 88 LEU HA H 1 3.791 0.02 . 1 . . . . 88 LEU HA . 15471 1 1092 . 1 1 88 88 LEU HB2 H 1 1.829 0.02 . 2 . . . . 88 LEU HB2 . 15471 1 1093 . 1 1 88 88 LEU HB3 H 1 1.383 0.02 . 2 . . . . 88 LEU HB3 . 15471 1 1094 . 1 1 88 88 LEU HD11 H 1 0.879 0.02 . 2 . . . . 88 LEU QD1 . 15471 1 1095 . 1 1 88 88 LEU HD12 H 1 0.879 0.02 . 2 . . . . 88 LEU QD1 . 15471 1 1096 . 1 1 88 88 LEU HD13 H 1 0.879 0.02 . 2 . . . . 88 LEU QD1 . 15471 1 1097 . 1 1 88 88 LEU HD21 H 1 0.821 0.02 . 2 . . . . 88 LEU QD2 . 15471 1 1098 . 1 1 88 88 LEU HD22 H 1 0.821 0.02 . 2 . . . . 88 LEU QD2 . 15471 1 1099 . 1 1 88 88 LEU HD23 H 1 0.821 0.02 . 2 . . . . 88 LEU QD2 . 15471 1 1100 . 1 1 88 88 LEU HG H 1 1.741 0.02 . 1 . . . . 88 LEU HG . 15471 1 1101 . 1 1 88 88 LEU C C 13 179.260 0.02 . 1 . . . . 88 LEU C . 15471 1 1102 . 1 1 88 88 LEU CA C 13 58.710 0.02 . 1 . . . . 88 LEU CA . 15471 1 1103 . 1 1 88 88 LEU CB C 13 42.466 0.02 . 1 . . . . 88 LEU CB . 15471 1 1104 . 1 1 88 88 LEU CD1 C 13 26.369 0.02 . 1 . . . . 88 LEU CD1 . 15471 1 1105 . 1 1 88 88 LEU CD2 C 13 24.100 0.02 . 1 . . . . 88 LEU CD2 . 15471 1 1106 . 1 1 88 88 LEU CG C 13 27.938 0.02 . 1 . . . . 88 LEU CG . 15471 1 1107 . 1 1 88 88 LEU N N 15 116.455 0.02 . 1 . . . . 88 LEU N . 15471 1 1108 . 1 1 89 89 LEU H H 1 8.035 0.02 . 1 . . . . 89 LEU H . 15471 1 1109 . 1 1 89 89 LEU HA H 1 4.090 0.02 . 1 . . . . 89 LEU HA . 15471 1 1110 . 1 1 89 89 LEU HB2 H 1 1.809 0.02 . 2 . . . . 89 LEU HB2 . 15471 1 1111 . 1 1 89 89 LEU HB3 H 1 1.898 0.02 . 2 . . . . 89 LEU HB3 . 15471 1 1112 . 1 1 89 89 LEU HD11 H 1 0.917 0.02 . 2 . . . . 89 LEU QD1 . 15471 1 1113 . 1 1 89 89 LEU HD12 H 1 0.917 0.02 . 2 . . . . 89 LEU QD1 . 15471 1 1114 . 1 1 89 89 LEU HD13 H 1 0.917 0.02 . 2 . . . . 89 LEU QD1 . 15471 1 1115 . 1 1 89 89 LEU HD21 H 1 0.822 0.02 . 2 . . . . 89 LEU QD2 . 15471 1 1116 . 1 1 89 89 LEU HD22 H 1 0.822 0.02 . 2 . . . . 89 LEU QD2 . 15471 1 1117 . 1 1 89 89 LEU HD23 H 1 0.822 0.02 . 2 . . . . 89 LEU QD2 . 15471 1 1118 . 1 1 89 89 LEU HG H 1 1.632 0.02 . 1 . . . . 89 LEU HG . 15471 1 1119 . 1 1 89 89 LEU C C 13 179.684 0.02 . 1 . . . . 89 LEU C . 15471 1 1120 . 1 1 89 89 LEU CA C 13 58.898 0.02 . 1 . . . . 89 LEU CA . 15471 1 1121 . 1 1 89 89 LEU CB C 13 42.434 0.02 . 1 . . . . 89 LEU CB . 15471 1 1122 . 1 1 89 89 LEU CD1 C 13 25.221 0.02 . 1 . . . . 89 LEU CD1 . 15471 1 1123 . 1 1 89 89 LEU CD2 C 13 25.917 0.02 . 1 . . . . 89 LEU CD2 . 15471 1 1124 . 1 1 89 89 LEU CG C 13 27.805 0.02 . 1 . . . . 89 LEU CG . 15471 1 1125 . 1 1 89 89 LEU N N 15 123.082 0.02 . 1 . . . . 89 LEU N . 15471 1 1126 . 1 1 90 90 ARG H H 1 8.534 0.02 . 1 . . . . 90 ARG H . 15471 1 1127 . 1 1 90 90 ARG HA H 1 4.056 0.02 . 1 . . . . 90 ARG HA . 15471 1 1128 . 1 1 90 90 ARG HB2 H 1 1.794 0.02 . 2 . . . . 90 ARG HB2 . 15471 1 1129 . 1 1 90 90 ARG HB3 H 1 1.807 0.02 . 2 . . . . 90 ARG HB3 . 15471 1 1130 . 1 1 90 90 ARG HD2 H 1 3.224 0.02 . 2 . . . . 90 ARG HD2 . 15471 1 1131 . 1 1 90 90 ARG HD3 H 1 3.172 0.02 . 2 . . . . 90 ARG HD3 . 15471 1 1132 . 1 1 90 90 ARG HE H 1 7.516 0.02 . 1 . . . . 90 ARG HE . 15471 1 1133 . 1 1 90 90 ARG HG2 H 1 1.861 0.02 . 2 . . . . 90 ARG HG2 . 15471 1 1134 . 1 1 90 90 ARG HG3 H 1 1.854 0.02 . 2 . . . . 90 ARG HG3 . 15471 1 1135 . 1 1 90 90 ARG C C 13 179.875 0.02 . 1 . . . . 90 ARG C . 15471 1 1136 . 1 1 90 90 ARG CA C 13 59.871 0.02 . 1 . . . . 90 ARG CA . 15471 1 1137 . 1 1 90 90 ARG CB C 13 31.230 0.02 . 1 . . . . 90 ARG CB . 15471 1 1138 . 1 1 90 90 ARG CD C 13 44.944 0.02 . 1 . . . . 90 ARG CD . 15471 1 1139 . 1 1 90 90 ARG CG C 13 28.539 0.02 . 1 . . . . 90 ARG CG . 15471 1 1140 . 1 1 90 90 ARG N N 15 120.204 0.02 . 1 . . . . 90 ARG N . 15471 1 1141 . 1 1 90 90 ARG NE N 15 87.014 0.02 . 1 . . . . 90 ARG NE . 15471 1 1142 . 1 1 91 91 LEU H H 1 8.280 0.02 . 1 . . . . 91 LEU H . 15471 1 1143 . 1 1 91 91 LEU HA H 1 3.945 0.02 . 1 . . . . 91 LEU HA . 15471 1 1144 . 1 1 91 91 LEU HB2 H 1 1.359 0.02 . 2 . . . . 91 LEU HB2 . 15471 1 1145 . 1 1 91 91 LEU HB3 H 1 1.897 0.02 . 2 . . . . 91 LEU HB3 . 15471 1 1146 . 1 1 91 91 LEU HD11 H 1 0.392 0.02 . 2 . . . . 91 LEU QD1 . 15471 1 1147 . 1 1 91 91 LEU HD12 H 1 0.392 0.02 . 2 . . . . 91 LEU QD1 . 15471 1 1148 . 1 1 91 91 LEU HD13 H 1 0.392 0.02 . 2 . . . . 91 LEU QD1 . 15471 1 1149 . 1 1 91 91 LEU HD21 H 1 0.639 0.02 . 2 . . . . 91 LEU QD2 . 15471 1 1150 . 1 1 91 91 LEU HD22 H 1 0.639 0.02 . 2 . . . . 91 LEU QD2 . 15471 1 1151 . 1 1 91 91 LEU HD23 H 1 0.639 0.02 . 2 . . . . 91 LEU QD2 . 15471 1 1152 . 1 1 91 91 LEU HG H 1 1.117 0.02 . 1 . . . . 91 LEU HG . 15471 1 1153 . 1 1 91 91 LEU C C 13 177.286 0.02 . 1 . . . . 91 LEU C . 15471 1 1154 . 1 1 91 91 LEU CA C 13 59.064 0.02 . 1 . . . . 91 LEU CA . 15471 1 1155 . 1 1 91 91 LEU CB C 13 41.861 0.02 . 1 . . . . 91 LEU CB . 15471 1 1156 . 1 1 91 91 LEU CD1 C 13 26.752 0.02 . 1 . . . . 91 LEU CD1 . 15471 1 1157 . 1 1 91 91 LEU CD2 C 13 23.735 0.02 . 1 . . . . 91 LEU CD2 . 15471 1 1158 . 1 1 91 91 LEU CG C 13 27.653 0.02 . 1 . . . . 91 LEU CG . 15471 1 1159 . 1 1 91 91 LEU N N 15 122.126 0.02 . 1 . . . . 91 LEU N . 15471 1 1160 . 1 1 92 92 SER H H 1 8.162 0.02 . 1 . . . . 92 SER H . 15471 1 1161 . 1 1 92 92 SER HA H 1 3.788 0.02 . 1 . . . . 92 SER HA . 15471 1 1162 . 1 1 92 92 SER HB2 H 1 4.024 0.02 . 2 . . . . 92 SER HB2 . 15471 1 1163 . 1 1 92 92 SER HB3 H 1 3.958 0.02 . 2 . . . . 92 SER HB3 . 15471 1 1164 . 1 1 92 92 SER C C 13 175.163 0.02 . 1 . . . . 92 SER C . 15471 1 1165 . 1 1 92 92 SER CA C 13 63.351 0.02 . 1 . . . . 92 SER CA . 15471 1 1166 . 1 1 92 92 SER CB C 13 63.421 0.02 . 1 . . . . 92 SER CB . 15471 1 1167 . 1 1 92 92 SER N N 15 114.489 0.02 . 1 . . . . 92 SER N . 15471 1 1168 . 1 1 93 93 GLU H H 1 8.232 0.02 . 1 . . . . 93 GLU H . 15471 1 1169 . 1 1 93 93 GLU HA H 1 3.936 0.02 . 1 . . . . 93 GLU HA . 15471 1 1170 . 1 1 93 93 GLU HB2 H 1 2.115 0.02 . 2 . . . . 93 GLU HB2 . 15471 1 1171 . 1 1 93 93 GLU HB3 H 1 2.016 0.02 . 2 . . . . 93 GLU HB3 . 15471 1 1172 . 1 1 93 93 GLU HG2 H 1 2.438 0.02 . 2 . . . . 93 GLU HG2 . 15471 1 1173 . 1 1 93 93 GLU HG3 H 1 2.212 0.02 . 2 . . . . 93 GLU HG3 . 15471 1 1174 . 1 1 93 93 GLU C C 13 177.965 0.02 . 1 . . . . 93 GLU C . 15471 1 1175 . 1 1 93 93 GLU CA C 13 60.171 0.02 . 1 . . . . 93 GLU CA . 15471 1 1176 . 1 1 93 93 GLU CB C 13 30.695 0.02 . 1 . . . . 93 GLU CB . 15471 1 1177 . 1 1 93 93 GLU CG C 13 37.195 0.02 . 1 . . . . 93 GLU CG . 15471 1 1178 . 1 1 93 93 GLU N N 15 120.425 0.02 . 1 . . . . 93 GLU N . 15471 1 1179 . 1 1 94 94 LEU H H 1 7.621 0.02 . 1 . . . . 94 LEU H . 15471 1 1180 . 1 1 94 94 LEU HA H 1 4.078 0.02 . 1 . . . . 94 LEU HA . 15471 1 1181 . 1 1 94 94 LEU HB2 H 1 1.833 0.02 . 2 . . . . 94 LEU HB2 . 15471 1 1182 . 1 1 94 94 LEU HB3 H 1 1.777 0.02 . 2 . . . . 94 LEU HB3 . 15471 1 1183 . 1 1 94 94 LEU HD11 H 1 0.919 0.02 . 2 . . . . 94 LEU QD1 . 15471 1 1184 . 1 1 94 94 LEU HD12 H 1 0.919 0.02 . 2 . . . . 94 LEU QD1 . 15471 1 1185 . 1 1 94 94 LEU HD13 H 1 0.919 0.02 . 2 . . . . 94 LEU QD1 . 15471 1 1186 . 1 1 94 94 LEU HD21 H 1 0.828 0.02 . 2 . . . . 94 LEU QD2 . 15471 1 1187 . 1 1 94 94 LEU HD22 H 1 0.828 0.02 . 2 . . . . 94 LEU QD2 . 15471 1 1188 . 1 1 94 94 LEU HD23 H 1 0.828 0.02 . 2 . . . . 94 LEU QD2 . 15471 1 1189 . 1 1 94 94 LEU HG H 1 1.633 0.02 . 1 . . . . 94 LEU HG . 15471 1 1190 . 1 1 94 94 LEU C C 13 178.644 0.02 . 1 . . . . 94 LEU C . 15471 1 1191 . 1 1 94 94 LEU CA C 13 59.454 0.02 . 1 . . . . 94 LEU CA . 15471 1 1192 . 1 1 94 94 LEU CB C 13 43.402 0.02 . 1 . . . . 94 LEU CB . 15471 1 1193 . 1 1 94 94 LEU CD1 C 13 25.031 0.02 . 1 . . . . 94 LEU CD1 . 15471 1 1194 . 1 1 94 94 LEU CD2 C 13 25.802 0.02 . 1 . . . . 94 LEU CD2 . 15471 1 1195 . 1 1 94 94 LEU CG C 13 28.423 0.02 . 1 . . . . 94 LEU CG . 15471 1 1196 . 1 1 94 94 LEU N N 15 121.614 0.02 . 1 . . . . 94 LEU N . 15471 1 1197 . 1 1 95 95 ILE H H 1 7.902 0.02 . 1 . . . . 95 ILE H . 15471 1 1198 . 1 1 95 95 ILE HA H 1 3.595 0.02 . 1 . . . . 95 ILE HA . 15471 1 1199 . 1 1 95 95 ILE HB H 1 1.853 0.02 . 1 . . . . 95 ILE HB . 15471 1 1200 . 1 1 95 95 ILE HD11 H 1 0.402 0.02 . 1 . . . . 95 ILE QD1 . 15471 1 1201 . 1 1 95 95 ILE HD12 H 1 0.402 0.02 . 1 . . . . 95 ILE QD1 . 15471 1 1202 . 1 1 95 95 ILE HD13 H 1 0.402 0.02 . 1 . . . . 95 ILE QD1 . 15471 1 1203 . 1 1 95 95 ILE HG12 H 1 1.891 0.02 . 2 . . . . 95 ILE HG12 . 15471 1 1204 . 1 1 95 95 ILE HG13 H 1 0.831 0.02 . 2 . . . . 95 ILE HG13 . 15471 1 1205 . 1 1 95 95 ILE HG21 H 1 0.887 0.02 . 1 . . . . 95 ILE QG2 . 15471 1 1206 . 1 1 95 95 ILE HG22 H 1 0.887 0.02 . 1 . . . . 95 ILE QG2 . 15471 1 1207 . 1 1 95 95 ILE HG23 H 1 0.887 0.02 . 1 . . . . 95 ILE QG2 . 15471 1 1208 . 1 1 95 95 ILE C C 13 177.286 0.02 . 1 . . . . 95 ILE C . 15471 1 1209 . 1 1 95 95 ILE CA C 13 67.222 0.02 . 1 . . . . 95 ILE CA . 15471 1 1210 . 1 1 95 95 ILE CB C 13 38.943 0.02 . 1 . . . . 95 ILE CB . 15471 1 1211 . 1 1 95 95 ILE CD1 C 13 14.488 0.02 . 1 . . . . 95 ILE CD1 . 15471 1 1212 . 1 1 95 95 ILE CG1 C 13 29.801 0.02 . 1 . . . . 95 ILE CG1 . 15471 1 1213 . 1 1 95 95 ILE CG2 C 13 19.400 0.02 . 1 . . . . 95 ILE CG2 . 15471 1 1214 . 1 1 95 95 ILE N N 15 118.623 0.02 . 1 . . . . 95 ILE N . 15471 1 1215 . 1 1 96 96 VAL H H 1 8.543 0.02 . 1 . . . . 96 VAL H . 15471 1 1216 . 1 1 96 96 VAL HA H 1 3.712 0.02 . 1 . . . . 96 VAL HA . 15471 1 1217 . 1 1 96 96 VAL HB H 1 2.116 0.02 . 1 . . . . 96 VAL HB . 15471 1 1218 . 1 1 96 96 VAL HG11 H 1 0.990 0.02 . 2 . . . . 96 VAL QG1 . 15471 1 1219 . 1 1 96 96 VAL HG12 H 1 0.990 0.02 . 2 . . . . 96 VAL QG1 . 15471 1 1220 . 1 1 96 96 VAL HG13 H 1 0.990 0.02 . 2 . . . . 96 VAL QG1 . 15471 1 1221 . 1 1 96 96 VAL HG21 H 1 1.147 0.02 . 2 . . . . 96 VAL QG2 . 15471 1 1222 . 1 1 96 96 VAL HG22 H 1 1.147 0.02 . 2 . . . . 96 VAL QG2 . 15471 1 1223 . 1 1 96 96 VAL HG23 H 1 1.147 0.02 . 2 . . . . 96 VAL QG2 . 15471 1 1224 . 1 1 96 96 VAL C C 13 179.260 0.02 . 1 . . . . 96 VAL C . 15471 1 1225 . 1 1 96 96 VAL CA C 13 67.418 0.02 . 1 . . . . 96 VAL CA . 15471 1 1226 . 1 1 96 96 VAL CB C 13 32.901 0.02 . 1 . . . . 96 VAL CB . 15471 1 1227 . 1 1 96 96 VAL CG1 C 13 22.035 0.02 . 1 . . . . 96 VAL CG1 . 15471 1 1228 . 1 1 96 96 VAL CG2 C 13 24.267 0.02 . 1 . . . . 96 VAL CG2 . 15471 1 1229 . 1 1 96 96 VAL N N 15 118.664 0.02 . 1 . . . . 96 VAL N . 15471 1 1230 . 1 1 97 97 ASN H H 1 8.455 0.02 . 1 . . . . 97 ASN H . 15471 1 1231 . 1 1 97 97 ASN HA H 1 4.482 0.02 . 1 . . . . 97 ASN HA . 15471 1 1232 . 1 1 97 97 ASN HB2 H 1 2.754 0.02 . 2 . . . . 97 ASN HB2 . 15471 1 1233 . 1 1 97 97 ASN HB3 H 1 3.033 0.02 . 2 . . . . 97 ASN HB3 . 15471 1 1234 . 1 1 97 97 ASN HD21 H 1 7.596 0.02 . 2 . . . . 97 ASN HD21 . 15471 1 1235 . 1 1 97 97 ASN HD22 H 1 7.026 0.02 . 2 . . . . 97 ASN HD22 . 15471 1 1236 . 1 1 97 97 ASN C C 13 177.944 0.02 . 1 . . . . 97 ASN C . 15471 1 1237 . 1 1 97 97 ASN CA C 13 56.565 0.02 . 1 . . . . 97 ASN CA . 15471 1 1238 . 1 1 97 97 ASN CB C 13 38.710 0.02 . 1 . . . . 97 ASN CB . 15471 1 1239 . 1 1 97 97 ASN N N 15 118.576 0.02 . 1 . . . . 97 ASN N . 15471 1 1240 . 1 1 97 97 ASN ND2 N 15 113.091 0.02 . 1 . . . . 97 ASN ND2 . 15471 1 1241 . 1 1 98 98 ALA H H 1 8.139 0.02 . 1 . . . . 98 ALA H . 15471 1 1242 . 1 1 98 98 ALA HA H 1 4.087 0.02 . 1 . . . . 98 ALA HA . 15471 1 1243 . 1 1 98 98 ALA HB1 H 1 1.444 0.02 . 1 . . . . 98 ALA QB . 15471 1 1244 . 1 1 98 98 ALA HB2 H 1 1.444 0.02 . 1 . . . . 98 ALA QB . 15471 1 1245 . 1 1 98 98 ALA HB3 H 1 1.444 0.02 . 1 . . . . 98 ALA QB . 15471 1 1246 . 1 1 98 98 ALA C C 13 178.262 0.02 . 1 . . . . 98 ALA C . 15471 1 1247 . 1 1 98 98 ALA CA C 13 55.306 0.02 . 1 . . . . 98 ALA CA . 15471 1 1248 . 1 1 98 98 ALA CB C 13 19.310 0.02 . 1 . . . . 98 ALA CB . 15471 1 1249 . 1 1 98 98 ALA N N 15 123.015 0.02 . 1 . . . . 98 ALA N . 15471 1 1250 . 1 1 99 99 ALA H H 1 7.493 0.02 . 1 . . . . 99 ALA H . 15471 1 1251 . 1 1 99 99 ALA HA H 1 3.892 0.02 . 1 . . . . 99 ALA HA . 15471 1 1252 . 1 1 99 99 ALA HB1 H 1 1.265 0.02 . 1 . . . . 99 ALA QB . 15471 1 1253 . 1 1 99 99 ALA HB2 H 1 1.265 0.02 . 1 . . . . 99 ALA QB . 15471 1 1254 . 1 1 99 99 ALA HB3 H 1 1.265 0.02 . 1 . . . . 99 ALA QB . 15471 1 1255 . 1 1 99 99 ALA C C 13 176.861 0.02 . 1 . . . . 99 ALA C . 15471 1 1256 . 1 1 99 99 ALA CA C 13 53.734 0.02 . 1 . . . . 99 ALA CA . 15471 1 1257 . 1 1 99 99 ALA CB C 13 19.766 0.02 . 1 . . . . 99 ALA CB . 15471 1 1258 . 1 1 99 99 ALA N N 15 118.018 0.02 . 1 . . . . 99 ALA N . 15471 1 1259 . 1 1 100 100 LYS H H 1 7.443 0.02 . 1 . . . . 100 LYS H . 15471 1 1260 . 1 1 100 100 LYS HA H 1 4.211 0.02 . 1 . . . . 100 LYS HA . 15471 1 1261 . 1 1 100 100 LYS HB2 H 1 1.892 0.02 . 2 . . . . 100 LYS HB2 . 15471 1 1262 . 1 1 100 100 LYS HB3 H 1 1.879 0.02 . 2 . . . . 100 LYS HB3 . 15471 1 1263 . 1 1 100 100 LYS HD2 H 1 1.713 0.02 . 2 . . . . 100 LYS HD2 . 15471 1 1264 . 1 1 100 100 LYS HD3 H 1 1.711 0.02 . 2 . . . . 100 LYS HD3 . 15471 1 1265 . 1 1 100 100 LYS HE2 H 1 2.991 0.02 . 2 . . . . 100 LYS HE2 . 15471 1 1266 . 1 1 100 100 LYS HE3 H 1 2.992 0.02 . 2 . . . . 100 LYS HE3 . 15471 1 1267 . 1 1 100 100 LYS HG2 H 1 1.598 0.02 . 2 . . . . 100 LYS HG2 . 15471 1 1268 . 1 1 100 100 LYS HG3 H 1 1.457 0.02 . 2 . . . . 100 LYS HG3 . 15471 1 1269 . 1 1 100 100 LYS C C 13 176.479 0.02 . 1 . . . . 100 LYS C . 15471 1 1270 . 1 1 100 100 LYS CA C 13 57.829 0.02 . 1 . . . . 100 LYS CA . 15471 1 1271 . 1 1 100 100 LYS CB C 13 33.732 0.02 . 1 . . . . 100 LYS CB . 15471 1 1272 . 1 1 100 100 LYS CD C 13 30.252 0.02 . 1 . . . . 100 LYS CD . 15471 1 1273 . 1 1 100 100 LYS CE C 13 43.109 0.02 . 1 . . . . 100 LYS CE . 15471 1 1274 . 1 1 100 100 LYS CG C 13 25.887 0.02 . 1 . . . . 100 LYS CG . 15471 1 1275 . 1 1 100 100 LYS N N 15 117.836 0.02 . 1 . . . . 100 LYS N . 15471 1 1276 . 1 1 101 101 LEU H H 1 7.897 0.02 . 1 . . . . 101 LEU H . 15471 1 1277 . 1 1 101 101 LEU HA H 1 4.282 0.02 . 1 . . . . 101 LEU HA . 15471 1 1278 . 1 1 101 101 LEU HB2 H 1 1.642 0.02 . 2 . . . . 101 LEU HB2 . 15471 1 1279 . 1 1 101 101 LEU HB3 H 1 1.508 0.02 . 2 . . . . 101 LEU HB3 . 15471 1 1280 . 1 1 101 101 LEU HD11 H 1 0.837 0.02 . 2 . . . . 101 LEU QD1 . 15471 1 1281 . 1 1 101 101 LEU HD12 H 1 0.837 0.02 . 2 . . . . 101 LEU QD1 . 15471 1 1282 . 1 1 101 101 LEU HD13 H 1 0.837 0.02 . 2 . . . . 101 LEU QD1 . 15471 1 1283 . 1 1 101 101 LEU HD21 H 1 0.891 0.02 . 2 . . . . 101 LEU QD2 . 15471 1 1284 . 1 1 101 101 LEU HD22 H 1 0.891 0.02 . 2 . . . . 101 LEU QD2 . 15471 1 1285 . 1 1 101 101 LEU HD23 H 1 0.891 0.02 . 2 . . . . 101 LEU QD2 . 15471 1 1286 . 1 1 101 101 LEU HG H 1 1.635 0.02 . 1 . . . . 101 LEU HG . 15471 1 1287 . 1 1 101 101 LEU C C 13 176.861 0.02 . 1 . . . . 101 LEU C . 15471 1 1288 . 1 1 101 101 LEU CA C 13 56.097 0.02 . 1 . . . . 101 LEU CA . 15471 1 1289 . 1 1 101 101 LEU CB C 13 43.083 0.02 . 1 . . . . 101 LEU CB . 15471 1 1290 . 1 1 101 101 LEU CD1 C 13 24.341 0.02 . 1 . . . . 101 LEU CD1 . 15471 1 1291 . 1 1 101 101 LEU CD2 C 13 25.842 0.02 . 1 . . . . 101 LEU CD2 . 15471 1 1292 . 1 1 101 101 LEU CG C 13 26.770 0.02 . 1 . . . . 101 LEU CG . 15471 1 1293 . 1 1 101 101 LEU N N 15 122.839 0.02 . 1 . . . . 101 LEU N . 15471 1 1294 . 1 1 102 102 GLU H H 1 8.347 0.02 . 1 . . . . 102 GLU H . 15471 1 1295 . 1 1 102 102 GLU HA H 1 4.214 0.02 . 1 . . . . 102 GLU HA . 15471 1 1296 . 1 1 102 102 GLU HB2 H 1 1.855 0.02 . 2 . . . . 102 GLU HB2 . 15471 1 1297 . 1 1 102 102 GLU HB3 H 1 1.892 0.02 . 2 . . . . 102 GLU HB3 . 15471 1 1298 . 1 1 102 102 GLU HG2 H 1 2.139 0.02 . 2 . . . . 102 GLU HG2 . 15471 1 1299 . 1 1 102 102 GLU HG3 H 1 2.199 0.02 . 2 . . . . 102 GLU HG3 . 15471 1 1300 . 1 1 102 102 GLU C C 13 175.906 0.02 . 1 . . . . 102 GLU C . 15471 1 1301 . 1 1 102 102 GLU CA C 13 56.985 0.02 . 1 . . . . 102 GLU CA . 15471 1 1302 . 1 1 102 102 GLU CB C 13 31.229 0.02 . 1 . . . . 102 GLU CB . 15471 1 1303 . 1 1 102 102 GLU CG C 13 36.765 0.02 . 1 . . . . 102 GLU CG . 15471 1 1304 . 1 1 102 102 GLU N N 15 122.590 0.02 . 1 . . . . 102 GLU N . 15471 1 1305 . 1 1 103 103 HIS H H 1 8.445 0.02 . 1 . . . . 103 HIS H . 15471 1 1306 . 1 1 103 103 HIS HA H 1 4.602 0.02 . 1 . . . . 103 HIS HA . 15471 1 1307 . 1 1 103 103 HIS HB2 H 1 3.101 0.02 . 2 . . . . 103 HIS HB2 . 15471 1 1308 . 1 1 103 103 HIS HB3 H 1 3.008 0.02 . 2 . . . . 103 HIS HB3 . 15471 1 1309 . 1 1 103 103 HIS HD2 H 1 7.107 0.02 . 1 . . . . 103 HIS HD2 . 15471 1 1310 . 1 1 103 103 HIS C C 13 173.487 0.02 . 1 . . . . 103 HIS C . 15471 1 1311 . 1 1 103 103 HIS CA C 13 56.424 0.02 . 1 . . . . 103 HIS CA . 15471 1 1312 . 1 1 103 103 HIS CB C 13 30.528 0.02 . 1 . . . . 103 HIS CB . 15471 1 1313 . 1 1 103 103 HIS CD2 C 13 120.434 0.02 . 1 . . . . 103 HIS CD2 . 15471 1 1314 . 1 1 103 103 HIS N N 15 120.785 0.02 . 1 . . . . 103 HIS N . 15471 1 1315 . 1 1 104 104 HIS H H 1 8.307 0.02 . 1 . . . . 104 HIS H . 15471 1 1316 . 1 1 104 104 HIS HA H 1 4.773 0.02 . 1 . . . . 104 HIS HA . 15471 1 1317 . 1 1 104 104 HIS HB2 H 1 3.121 0.02 . 2 . . . . 104 HIS HB2 . 15471 1 1318 . 1 1 104 104 HIS HB3 H 1 3.121 0.02 . 2 . . . . 104 HIS HB3 . 15471 1 1319 . 1 1 104 104 HIS HD2 H 1 7.080 0.02 . 1 . . . . 104 HIS HD2 . 15471 1 1320 . 1 1 104 104 HIS CA C 13 57.986 0.02 . 1 . . . . 104 HIS CA . 15471 1 1321 . 1 1 104 104 HIS CB C 13 30.446 0.02 . 1 . . . . 104 HIS CB . 15471 1 1322 . 1 1 104 104 HIS CD2 C 13 119.840 0.02 . 1 . . . . 104 HIS CD2 . 15471 1 1323 . 1 1 104 104 HIS N N 15 126.301 0.02 . 1 . . . . 104 HIS N . 15471 1 1324 . 1 1 105 105 HIS H H 1 8.250 0.02 . 1 . . . . 105 HIS H . 15471 1 stop_ save_