data_52151 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52151 _Entry.Title ; Backbone and sidechain chemical shift assignment of DRB3 dsRBD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-26 _Entry.Accession_date 2023-09-26 _Entry.Last_release_date 2023-09-26 _Entry.Original_release_date 2023-09-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone and sidechain chemical shift assignment of DRB3 dsRBD2 (83-185)' _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.ORCID _Entry_author.Entry_ID 1 Jaydeep Paul . . . 0009-0006-5728-2821 52151 2 'Mandar V.' Deshmukh . . . 0000-0003-2447-9725 52151 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52151 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 52151 '15N chemical shifts' 87 52151 '1H chemical shifts' 576 52151 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-09-26 . original BMRB . 52151 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52133 'Backbone and sidechain chemical shift assignment of DRB3 dsRBD1' 52151 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52151 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38668800 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignment of dsRBD1 and dsRBD2 of Arabidopsis thaliana DRB3, an essential protein involved in RNAi-mediated antiviral defense ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR Assignment' _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 99 _Citation.Page_last 9104 _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jaydeep Paul . . . . 52151 1 2 'Mandar V.' Deshmukh . . . . 52151 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DRB3, RNAi, A thaliana, RdDM, DCL3' 52151 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52151 _Assembly.ID 1 _Assembly.Name 'DRB3 dsRBD2 (83-185)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'DRB3 dsRBD2 (83-185)' 1 $entity_1 . . yes native no no . . . 52151 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP Q9LJF5 . . . . . . 52151 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'to bind and recognize dsRNA' 52151 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52151 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MDETGIYKNLLQETAHRAGL DLPVYTSVRSGPGHIPTFSC TVELAGMSFNGESAKTKKQA EKNAAIAAWFSLRKMPRLDP LRGEEKEQEIVARVLSRFRP KEVKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 82,M 83,D 84,E . . . H,191 H,192 H,193 ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9LJF5 . DRB3 . . . . . . . . . . . . . . 52151 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'To recognize and bind to dsRNA' 52151 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 82 MET . 52151 1 2 83 ASP . 52151 1 3 84 GLU . 52151 1 4 85 THR . 52151 1 5 86 GLY . 52151 1 6 87 ILE . 52151 1 7 88 TYR . 52151 1 8 89 LYS . 52151 1 9 90 ASN . 52151 1 10 91 LEU . 52151 1 11 92 LEU . 52151 1 12 93 GLN . 52151 1 13 94 GLU . 52151 1 14 95 THR . 52151 1 15 96 ALA . 52151 1 16 97 HIS . 52151 1 17 98 ARG . 52151 1 18 99 ALA . 52151 1 19 100 GLY . 52151 1 20 101 LEU . 52151 1 21 102 ASP . 52151 1 22 103 LEU . 52151 1 23 104 PRO . 52151 1 24 105 VAL . 52151 1 25 106 TYR . 52151 1 26 107 THR . 52151 1 27 108 SER . 52151 1 28 109 VAL . 52151 1 29 110 ARG . 52151 1 30 111 SER . 52151 1 31 112 GLY . 52151 1 32 113 PRO . 52151 1 33 114 GLY . 52151 1 34 115 HIS . 52151 1 35 116 ILE . 52151 1 36 117 PRO . 52151 1 37 118 THR . 52151 1 38 119 PHE . 52151 1 39 120 SER . 52151 1 40 121 CYS . 52151 1 41 122 THR . 52151 1 42 123 VAL . 52151 1 43 124 GLU . 52151 1 44 125 LEU . 52151 1 45 126 ALA . 52151 1 46 127 GLY . 52151 1 47 128 MET . 52151 1 48 129 SER . 52151 1 49 130 PHE . 52151 1 50 131 ASN . 52151 1 51 132 GLY . 52151 1 52 133 GLU . 52151 1 53 134 SER . 52151 1 54 135 ALA . 52151 1 55 136 LYS . 52151 1 56 137 THR . 52151 1 57 138 LYS . 52151 1 58 139 LYS . 52151 1 59 140 GLN . 52151 1 60 141 ALA . 52151 1 61 142 GLU . 52151 1 62 143 LYS . 52151 1 63 144 ASN . 52151 1 64 145 ALA . 52151 1 65 146 ALA . 52151 1 66 147 ILE . 52151 1 67 148 ALA . 52151 1 68 149 ALA . 52151 1 69 150 TRP . 52151 1 70 151 PHE . 52151 1 71 152 SER . 52151 1 72 153 LEU . 52151 1 73 154 ARG . 52151 1 74 155 LYS . 52151 1 75 156 MET . 52151 1 76 157 PRO . 52151 1 77 158 ARG . 52151 1 78 159 LEU . 52151 1 79 160 ASP . 52151 1 80 161 PRO . 52151 1 81 162 LEU . 52151 1 82 163 ARG . 52151 1 83 164 GLY . 52151 1 84 165 GLU . 52151 1 85 166 GLU . 52151 1 86 167 LYS . 52151 1 87 168 GLU . 52151 1 88 169 GLN . 52151 1 89 170 GLU . 52151 1 90 171 ILE . 52151 1 91 172 VAL . 52151 1 92 173 ALA . 52151 1 93 174 ARG . 52151 1 94 175 VAL . 52151 1 95 176 LEU . 52151 1 96 177 SER . 52151 1 97 178 ARG . 52151 1 98 179 PHE . 52151 1 99 180 ARG . 52151 1 100 181 PRO . 52151 1 101 182 LYS . 52151 1 102 183 GLU . 52151 1 103 184 VAL . 52151 1 104 185 LYS . 52151 1 105 186 LEU . 52151 1 106 187 GLU . 52151 1 107 188 HIS . 52151 1 108 189 HIS . 52151 1 109 190 HIS . 52151 1 110 191 HIS . 52151 1 111 192 HIS . 52151 1 112 193 HIS . 52151 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 52151 1 . ASP 2 2 52151 1 . GLU 3 3 52151 1 . THR 4 4 52151 1 . GLY 5 5 52151 1 . ILE 6 6 52151 1 . TYR 7 7 52151 1 . LYS 8 8 52151 1 . ASN 9 9 52151 1 . LEU 10 10 52151 1 . LEU 11 11 52151 1 . GLN 12 12 52151 1 . GLU 13 13 52151 1 . THR 14 14 52151 1 . ALA 15 15 52151 1 . HIS 16 16 52151 1 . ARG 17 17 52151 1 . ALA 18 18 52151 1 . GLY 19 19 52151 1 . LEU 20 20 52151 1 . ASP 21 21 52151 1 . LEU 22 22 52151 1 . PRO 23 23 52151 1 . VAL 24 24 52151 1 . TYR 25 25 52151 1 . THR 26 26 52151 1 . SER 27 27 52151 1 . VAL 28 28 52151 1 . ARG 29 29 52151 1 . SER 30 30 52151 1 . GLY 31 31 52151 1 . PRO 32 32 52151 1 . GLY 33 33 52151 1 . HIS 34 34 52151 1 . ILE 35 35 52151 1 . PRO 36 36 52151 1 . THR 37 37 52151 1 . PHE 38 38 52151 1 . SER 39 39 52151 1 . CYS 40 40 52151 1 . THR 41 41 52151 1 . VAL 42 42 52151 1 . GLU 43 43 52151 1 . LEU 44 44 52151 1 . ALA 45 45 52151 1 . GLY 46 46 52151 1 . MET 47 47 52151 1 . SER 48 48 52151 1 . PHE 49 49 52151 1 . ASN 50 50 52151 1 . GLY 51 51 52151 1 . GLU 52 52 52151 1 . SER 53 53 52151 1 . ALA 54 54 52151 1 . LYS 55 55 52151 1 . THR 56 56 52151 1 . LYS 57 57 52151 1 . LYS 58 58 52151 1 . GLN 59 59 52151 1 . ALA 60 60 52151 1 . GLU 61 61 52151 1 . LYS 62 62 52151 1 . ASN 63 63 52151 1 . ALA 64 64 52151 1 . ALA 65 65 52151 1 . ILE 66 66 52151 1 . ALA 67 67 52151 1 . ALA 68 68 52151 1 . TRP 69 69 52151 1 . PHE 70 70 52151 1 . SER 71 71 52151 1 . LEU 72 72 52151 1 . ARG 73 73 52151 1 . LYS 74 74 52151 1 . MET 75 75 52151 1 . PRO 76 76 52151 1 . ARG 77 77 52151 1 . LEU 78 78 52151 1 . ASP 79 79 52151 1 . PRO 80 80 52151 1 . LEU 81 81 52151 1 . ARG 82 82 52151 1 . GLY 83 83 52151 1 . GLU 84 84 52151 1 . GLU 85 85 52151 1 . LYS 86 86 52151 1 . GLU 87 87 52151 1 . GLN 88 88 52151 1 . GLU 89 89 52151 1 . ILE 90 90 52151 1 . VAL 91 91 52151 1 . ALA 92 92 52151 1 . ARG 93 93 52151 1 . VAL 94 94 52151 1 . LEU 95 95 52151 1 . SER 96 96 52151 1 . ARG 97 97 52151 1 . PHE 98 98 52151 1 . ARG 99 99 52151 1 . PRO 100 100 52151 1 . LYS 101 101 52151 1 . GLU 102 102 52151 1 . VAL 103 103 52151 1 . LYS 104 104 52151 1 . LEU 105 105 52151 1 . GLU 106 106 52151 1 . HIS 107 107 52151 1 . HIS 108 108 52151 1 . HIS 109 109 52151 1 . HIS 110 110 52151 1 . HIS 111 111 52151 1 . HIS 112 112 52151 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52151 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana col0 . . . . . . . . . . drb3 . 52151 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52151 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) RIPL . plasmid . . 'pET 30a' . . . 52151 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52151 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details unlabelled _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DRB3 dsRBD2 (83-185)' 'natural abundance' . . 1 $entity_1 . . 450 . . uM . . . . 52151 1 2 'Pottasium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52151 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52151 1 4 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 52151 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52151 _Sample.ID 2 _Sample.Name 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'single labelled' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DRB3 dsRBD2 (83-185)' '[U-98% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 52151 2 2 'Pottasium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52151 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52151 2 4 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 52151 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52151 _Sample.ID 3 _Sample.Name 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double labelled' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DRB3 dsRBD2 (83-185)' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 52151 3 2 'Pottasium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52151 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52151 3 4 Na2SO4 'natural abundance' . . . . . . 50 . . mM . . . . 52151 3 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 52151 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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' 150 . mM 52151 1 pH 6.8 . pH 52151 1 pressure 1 . atm 52151 1 temperature 298 . K 52151 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52151 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52151 1 'data analysis' . 52151 1 processing . 52151 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52151 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52151 2 'chemical shift calculation' . 52151 2 'data analysis' . 52151 2 'peak picking' . 52151 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52151 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 52151 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52151 _Software.ID 4 _Software.Type . _Software.Name CSI _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 52151 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52151 _Software.ID 5 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52151 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52151 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52151 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 4 '3D HNCO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 6 '3D HNCA' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 8 '3D HN(COCA)CB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 9 '3D HN(CA)CB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 10 '3D H(CCO)NH' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 11 '3D (H)C(CO)NH-TOCSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 12 '3D HCCH-TOCSY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 13 '3D 1H-15N NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 14 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 15 '3D HNHA' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 16 '3D 1H(15N)-1H(13C) NOESY' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 17 '3D HNCA' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 18 '3D HN(CA)CB' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 19 '3D HN(CO)CA' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 20 '3D HN(COCA)CB' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52151 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52151 _Computing_platform.ID 1 _Computing_platform.Name 'in-house workstation' _Computing_platform.Reference_ID . _Computing_platform.Site 'Mac Pro workstation' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52151 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . 52151 1 H 1 water protons . . . . ppm 0.0 internal direct 1 . . . . . 52151 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . 52151 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52151 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DRB3 dsRBD2 (83-185)' _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 $chem_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 '1D 1H' . . . 52151 1 2 '2D 1H-15N HSQC' . . . 52151 1 3 '2D 1H-13C HSQC' . . . 52151 1 4 '3D HNCO' . . . 52151 1 5 '3D HN(CA)CO' . . . 52151 1 6 '3D HNCA' . . . 52151 1 7 '3D HN(CO)CA' . . . 52151 1 8 '3D HN(COCA)CB' . . . 52151 1 9 '3D HN(CA)CB' . . . 52151 1 10 '3D H(CCO)NH' . . . 52151 1 11 '3D (H)C(CO)NH-TOCSY' . . . 52151 1 12 '3D HCCH-TOCSY' . . . 52151 1 13 '3D 1H-15N NOESY' . . . 52151 1 14 '3D 1H-13C NOESY aliphatic' . . . 52151 1 15 '3D HNHA' . . . 52151 1 16 '3D 1H(15N)-1H(13C) NOESY' . . . 52151 1 17 '3D HNCA' . . . 52151 1 18 '3D HN(CA)CB' . . . 52151 1 19 '3D HN(CO)CA' . . . 52151 1 20 '3D HN(COCA)CB' . . . 52151 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 2 $software_2 . . 52151 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP HA H 1 4.614 0.020 . 1 . . . . . 83 ASP HA . 52151 1 2 . 1 . 1 2 2 ASP HB2 H 1 2.703 0.020 . 2 . . . . . 83 ASP HB2 . 52151 1 3 . 1 . 1 2 2 ASP HB3 H 1 2.611 0.020 . 2 . . . . . 83 ASP HB3 . 52151 1 4 . 1 . 1 2 2 ASP C C 13 176.050 0.3 . 1 . . . . . 83 ASP C . 52151 1 5 . 1 . 1 2 2 ASP CA C 13 53.644 0.3 . 1 . . . . . 83 ASP CA . 52151 1 6 . 1 . 1 2 2 ASP CB C 13 40.974 0.3 . 1 . . . . . 83 ASP CB . 52151 1 7 . 1 . 1 3 3 GLU H H 1 8.789 0.020 . 1 . . . . . 84 GLU H . 52151 1 8 . 1 . 1 3 3 GLU HA H 1 4.281 0.020 . 1 . . . . . 84 GLU HA . 52151 1 9 . 1 . 1 3 3 GLU HB2 H 1 2.207 0.020 . 2 . . . . . 84 GLU HB2 . 52151 1 10 . 1 . 1 3 3 GLU HB3 H 1 2.158 0.020 . 2 . . . . . 84 GLU HB3 . 52151 1 11 . 1 . 1 3 3 GLU C C 13 177.464 0.3 . 1 . . . . . 84 GLU C . 52151 1 12 . 1 . 1 3 3 GLU CA C 13 57.431 0.3 . 1 . . . . . 84 GLU CA . 52151 1 13 . 1 . 1 3 3 GLU CB C 13 29.660 0.3 . 1 . . . . . 84 GLU CB . 52151 1 14 . 1 . 1 3 3 GLU CG C 13 36.383 0.3 . 1 . . . . . 84 GLU CG . 52151 1 15 . 1 . 1 3 3 GLU N N 15 124.296 0.3 . 1 . . . . . 84 GLU N . 52151 1 16 . 1 . 1 4 4 THR H H 1 8.285 0.020 . 1 . . . . . 85 THR H . 52151 1 17 . 1 . 1 4 4 THR HA H 1 4.247 0.020 . 1 . . . . . 85 THR HA . 52151 1 18 . 1 . 1 4 4 THR HB H 1 4.184 0.020 . 1 . . . . . 85 THR HB . 52151 1 19 . 1 . 1 4 4 THR HG21 H 1 1.189 0.020 . 1 . . . . . 85 THR HG2 . 52151 1 20 . 1 . 1 4 4 THR HG22 H 1 1.189 0.020 . 1 . . . . . 85 THR HG2 . 52151 1 21 . 1 . 1 4 4 THR HG23 H 1 1.189 0.020 . 1 . . . . . 85 THR HG2 . 52151 1 22 . 1 . 1 4 4 THR C C 13 175.893 0.3 . 1 . . . . . 85 THR C . 52151 1 23 . 1 . 1 4 4 THR CA C 13 63.321 0.3 . 1 . . . . . 85 THR CA . 52151 1 24 . 1 . 1 4 4 THR CB C 13 69.165 0.3 . 1 . . . . . 85 THR CB . 52151 1 25 . 1 . 1 4 4 THR CG2 C 13 21.772 0.3 . 1 . . . . . 85 THR CG2 . 52151 1 26 . 1 . 1 4 4 THR N N 15 112.639 0.3 . 1 . . . . . 85 THR N . 52151 1 27 . 1 . 1 5 5 GLY H H 1 8.302 0.020 . 1 . . . . . 86 GLY H . 52151 1 28 . 1 . 1 5 5 GLY HA2 H 1 3.800 0.020 . 1 . . . . . 86 GLY HA2 . 52151 1 29 . 1 . 1 5 5 GLY HA3 H 1 3.800 0.020 . 1 . . . . . 86 GLY HA3 . 52151 1 30 . 1 . 1 5 5 GLY C C 13 174.892 0.3 . 1 . . . . . 86 GLY C . 52151 1 31 . 1 . 1 5 5 GLY CA C 13 46.070 0.3 . 1 . . . . . 86 GLY CA . 52151 1 32 . 1 . 1 5 5 GLY N N 15 111.509 0.3 . 1 . . . . . 86 GLY N . 52151 1 33 . 1 . 1 6 6 ILE H H 1 7.877 0.020 . 1 . . . . . 87 ILE H . 52151 1 34 . 1 . 1 6 6 ILE HA H 1 4.456 0.020 . 1 . . . . . 87 ILE HA . 52151 1 35 . 1 . 1 6 6 ILE HB H 1 1.520 0.020 . 1 . . . . . 87 ILE HB . 52151 1 36 . 1 . 1 6 6 ILE HG21 H 1 0.724 0.020 . 1 . . . . . 87 ILE HG2 . 52151 1 37 . 1 . 1 6 6 ILE HG22 H 1 0.724 0.020 . 1 . . . . . 87 ILE HG2 . 52151 1 38 . 1 . 1 6 6 ILE HG23 H 1 0.724 0.020 . 1 . . . . . 87 ILE HG2 . 52151 1 39 . 1 . 1 6 6 ILE HD11 H 1 0.251 0.020 . 1 . . . . . 87 ILE HD1 . 52151 1 40 . 1 . 1 6 6 ILE HD12 H 1 0.251 0.020 . 1 . . . . . 87 ILE HD1 . 52151 1 41 . 1 . 1 6 6 ILE HD13 H 1 0.251 0.020 . 1 . . . . . 87 ILE HD1 . 52151 1 42 . 1 . 1 6 6 ILE C C 13 177.623 0.3 . 1 . . . . . 87 ILE C . 52151 1 43 . 1 . 1 6 6 ILE CA C 13 62.947 0.3 . 1 . . . . . 87 ILE CA . 52151 1 44 . 1 . 1 6 6 ILE CB C 13 37.795 0.3 . 1 . . . . . 87 ILE CB . 52151 1 45 . 1 . 1 6 6 ILE CG2 C 13 17.860 0.3 . 1 . . . . . 87 ILE CG2 . 52151 1 46 . 1 . 1 6 6 ILE CD1 C 13 16.409 0.3 . 1 . . . . . 87 ILE CD1 . 52151 1 47 . 1 . 1 6 6 ILE N N 15 120.427 0.3 . 1 . . . . . 87 ILE N . 52151 1 48 . 1 . 1 7 7 TYR H H 1 7.455 0.020 . 1 . . . . . 88 TYR H . 52151 1 49 . 1 . 1 7 7 TYR HA H 1 3.949 0.020 . 1 . . . . . 88 TYR HA . 52151 1 50 . 1 . 1 7 7 TYR HB2 H 1 2.660 0.020 . 1 . . . . . 88 TYR HB2 . 52151 1 51 . 1 . 1 7 7 TYR HB3 H 1 2.660 0.020 . 1 . . . . . 88 TYR HB3 . 52151 1 52 . 1 . 1 7 7 TYR HD1 H 1 6.535 0.020 . 1 . . . . . 88 TYR HD1 . 52151 1 53 . 1 . 1 7 7 TYR HD2 H 1 6.535 0.020 . 1 . . . . . 88 TYR HD2 . 52151 1 54 . 1 . 1 7 7 TYR HE1 H 1 6.473 0.020 . 1 . . . . . 88 TYR HE1 . 52151 1 55 . 1 . 1 7 7 TYR HE2 H 1 6.473 0.020 . 1 . . . . . 88 TYR HE2 . 52151 1 56 . 1 . 1 7 7 TYR C C 13 176.959 0.3 . 1 . . . . . 88 TYR C . 52151 1 57 . 1 . 1 7 7 TYR CA C 13 62.883 0.3 . 1 . . . . . 88 TYR CA . 52151 1 58 . 1 . 1 7 7 TYR CB C 13 36.484 0.3 . 1 . . . . . 88 TYR CB . 52151 1 59 . 1 . 1 7 7 TYR N N 15 119.857 0.3 . 1 . . . . . 88 TYR N . 52151 1 60 . 1 . 1 8 8 LYS H H 1 8.018 0.020 . 1 . . . . . 89 LYS H . 52151 1 61 . 1 . 1 8 8 LYS HA H 1 3.837 0.020 . 1 . . . . . 89 LYS HA . 52151 1 62 . 1 . 1 8 8 LYS HB2 H 1 1.943 0.020 . 1 . . . . . 89 LYS HB2 . 52151 1 63 . 1 . 1 8 8 LYS HB3 H 1 1.943 0.020 . 1 . . . . . 89 LYS HB3 . 52151 1 64 . 1 . 1 8 8 LYS HG2 H 1 1.404 0.020 . 1 . . . . . 89 LYS HG2 . 52151 1 65 . 1 . 1 8 8 LYS HG3 H 1 1.404 0.020 . 1 . . . . . 89 LYS HG3 . 52151 1 66 . 1 . 1 8 8 LYS HD2 H 1 1.520 0.020 . 1 . . . . . 89 LYS HD2 . 52151 1 67 . 1 . 1 8 8 LYS HD3 H 1 1.520 0.020 . 1 . . . . . 89 LYS HD3 . 52151 1 68 . 1 . 1 8 8 LYS HE2 H 1 3.095 0.020 . 1 . . . . . 89 LYS HE2 . 52151 1 69 . 1 . 1 8 8 LYS HE3 H 1 3.095 0.020 . 1 . . . . . 89 LYS HE3 . 52151 1 70 . 1 . 1 8 8 LYS C C 13 179.203 0.3 . 1 . . . . . 89 LYS C . 52151 1 71 . 1 . 1 8 8 LYS CA C 13 60.329 0.3 . 1 . . . . . 89 LYS CA . 52151 1 72 . 1 . 1 8 8 LYS CB C 13 32.092 0.3 . 1 . . . . . 89 LYS CB . 52151 1 73 . 1 . 1 8 8 LYS CG C 13 24.453 0.3 . 1 . . . . . 89 LYS CG . 52151 1 74 . 1 . 1 8 8 LYS CD C 13 29.762 0.3 . 1 . . . . . 89 LYS CD . 52151 1 75 . 1 . 1 8 8 LYS CE C 13 43.436 0.3 . 1 . . . . . 89 LYS CE . 52151 1 76 . 1 . 1 8 8 LYS N N 15 122.319 0.3 . 1 . . . . . 89 LYS N . 52151 1 77 . 1 . 1 9 9 ASN H H 1 7.738 0.020 . 1 . . . . . 90 ASN H . 52151 1 78 . 1 . 1 9 9 ASN HA H 1 4.370 0.020 . 1 . . . . . 90 ASN HA . 52151 1 79 . 1 . 1 9 9 ASN HB2 H 1 2.703 0.020 . 2 . . . . . 90 ASN HB2 . 52151 1 80 . 1 . 1 9 9 ASN HB3 H 1 2.617 0.020 . 2 . . . . . 90 ASN HB3 . 52151 1 81 . 1 . 1 9 9 ASN C C 13 177.080 0.3 . 1 . . . . . 90 ASN C . 52151 1 82 . 1 . 1 9 9 ASN CA C 13 56.152 0.3 . 1 . . . . . 90 ASN CA . 52151 1 83 . 1 . 1 9 9 ASN CB C 13 37.421 0.3 . 1 . . . . . 90 ASN CB . 52151 1 84 . 1 . 1 9 9 ASN N N 15 119.827 0.3 . 1 . . . . . 90 ASN N . 52151 1 85 . 1 . 1 10 10 LEU H H 1 8.050 0.020 . 1 . . . . . 91 LEU H . 52151 1 86 . 1 . 1 10 10 LEU HA H 1 4.208 0.020 . 1 . . . . . 91 LEU HA . 52151 1 87 . 1 . 1 10 10 LEU HB2 H 1 2.145 0.020 . 1 . . . . . 91 LEU HB2 . 52151 1 88 . 1 . 1 10 10 LEU HB3 H 1 2.145 0.020 . 1 . . . . . 91 LEU HB3 . 52151 1 89 . 1 . 1 10 10 LEU HG H 1 1.504 0.020 . 1 . . . . . 91 LEU HG . 52151 1 90 . 1 . 1 10 10 LEU HD11 H 1 0.939 0.020 . 2 . . . . . 91 LEU HD1 . 52151 1 91 . 1 . 1 10 10 LEU HD12 H 1 0.939 0.020 . 2 . . . . . 91 LEU HD1 . 52151 1 92 . 1 . 1 10 10 LEU HD13 H 1 0.939 0.020 . 2 . . . . . 91 LEU HD1 . 52151 1 93 . 1 . 1 10 10 LEU HD21 H 1 0.881 0.020 . 2 . . . . . 91 LEU HD2 . 52151 1 94 . 1 . 1 10 10 LEU HD22 H 1 0.881 0.020 . 2 . . . . . 91 LEU HD2 . 52151 1 95 . 1 . 1 10 10 LEU HD23 H 1 0.881 0.020 . 2 . . . . . 91 LEU HD2 . 52151 1 96 . 1 . 1 10 10 LEU C C 13 180.400 0.3 . 1 . . . . . 91 LEU C . 52151 1 97 . 1 . 1 10 10 LEU CA C 13 57.571 0.3 . 1 . . . . . 91 LEU CA . 52151 1 98 . 1 . 1 10 10 LEU CB C 13 41.255 0.3 . 1 . . . . . 91 LEU CB . 52151 1 99 . 1 . 1 10 10 LEU CG C 13 26.223 0.3 . 1 . . . . . 91 LEU CG . 52151 1 100 . 1 . 1 10 10 LEU CD1 C 13 23.867 0.3 . 1 . . . . . 91 LEU CD1 . 52151 1 101 . 1 . 1 10 10 LEU CD2 C 13 22.970 0.3 . 1 . . . . . 91 LEU CD2 . 52151 1 102 . 1 . 1 10 10 LEU N N 15 122.104 0.3 . 1 . . . . . 91 LEU N . 52151 1 103 . 1 . 1 11 11 LEU H H 1 8.592 0.020 . 1 . . . . . 92 LEU H . 52151 1 104 . 1 . 1 11 11 LEU HA H 1 4.213 0.020 . 1 . . . . . 92 LEU HA . 52151 1 105 . 1 . 1 11 11 LEU HB2 H 1 1.829 0.020 . 1 . . . . . 92 LEU HB2 . 52151 1 106 . 1 . 1 11 11 LEU HB3 H 1 1.829 0.020 . 1 . . . . . 92 LEU HB3 . 52151 1 107 . 1 . 1 11 11 LEU HG H 1 1.423 0.020 . 1 . . . . . 92 LEU HG . 52151 1 108 . 1 . 1 11 11 LEU HD11 H 1 0.914 0.020 . 2 . . . . . 92 LEU HD1 . 52151 1 109 . 1 . 1 11 11 LEU HD12 H 1 0.914 0.020 . 2 . . . . . 92 LEU HD1 . 52151 1 110 . 1 . 1 11 11 LEU HD13 H 1 0.914 0.020 . 2 . . . . . 92 LEU HD1 . 52151 1 111 . 1 . 1 11 11 LEU HD21 H 1 0.868 0.020 . 2 . . . . . 92 LEU HD2 . 52151 1 112 . 1 . 1 11 11 LEU HD22 H 1 0.868 0.020 . 2 . . . . . 92 LEU HD2 . 52151 1 113 . 1 . 1 11 11 LEU HD23 H 1 0.868 0.020 . 2 . . . . . 92 LEU HD2 . 52151 1 114 . 1 . 1 11 11 LEU C C 13 177.537 0.3 . 1 . . . . . 92 LEU C . 52151 1 115 . 1 . 1 11 11 LEU CA C 13 58.329 0.3 . 1 . . . . . 92 LEU CA . 52151 1 116 . 1 . 1 11 11 LEU CB C 13 42.050 0.3 . 1 . . . . . 92 LEU CB . 52151 1 117 . 1 . 1 11 11 LEU CG C 13 28.046 0.3 . 1 . . . . . 92 LEU CG . 52151 1 118 . 1 . 1 11 11 LEU CD1 C 13 24.614 0.3 . 1 . . . . . 92 LEU CD1 . 52151 1 119 . 1 . 1 11 11 LEU CD2 C 13 22.747 0.3 . 1 . . . . . 92 LEU CD2 . 52151 1 120 . 1 . 1 11 11 LEU N N 15 123.462 0.3 . 1 . . . . . 92 LEU N . 52151 1 121 . 1 . 1 12 12 GLN H H 1 7.538 0.020 . 1 . . . . . 93 GLN H . 52151 1 122 . 1 . 1 12 12 GLN HA H 1 3.720 0.020 . 1 . . . . . 93 GLN HA . 52151 1 123 . 1 . 1 12 12 GLN HB2 H 1 2.281 0.020 . 1 . . . . . 93 GLN HB2 . 52151 1 124 . 1 . 1 12 12 GLN HB3 H 1 2.281 0.020 . 1 . . . . . 93 GLN HB3 . 52151 1 125 . 1 . 1 12 12 GLN HG2 H 1 2.413 0.020 . 2 . . . . . 93 GLN HG2 . 52151 1 126 . 1 . 1 12 12 GLN HG3 H 1 2.350 0.020 . 2 . . . . . 93 GLN HG3 . 52151 1 127 . 1 . 1 12 12 GLN C C 13 177.467 0.3 . 1 . . . . . 93 GLN C . 52151 1 128 . 1 . 1 12 12 GLN CA C 13 59.862 0.3 . 1 . . . . . 93 GLN CA . 52151 1 129 . 1 . 1 12 12 GLN CB C 13 28.258 0.3 . 1 . . . . . 93 GLN CB . 52151 1 130 . 1 . 1 12 12 GLN CG C 13 33.730 0.3 . 1 . . . . . 93 GLN CG . 52151 1 131 . 1 . 1 12 12 GLN N N 15 118.825 0.3 . 1 . . . . . 93 GLN N . 52151 1 132 . 1 . 1 13 13 GLU H H 1 8.364 0.020 . 1 . . . . . 94 GLU H . 52151 1 133 . 1 . 1 13 13 GLU HA H 1 4.021 0.020 . 1 . . . . . 94 GLU HA . 52151 1 134 . 1 . 1 13 13 GLU HB2 H 1 1.913 0.020 . 1 . . . . . 94 GLU HB2 . 52151 1 135 . 1 . 1 13 13 GLU HB3 H 1 1.913 0.020 . 1 . . . . . 94 GLU HB3 . 52151 1 136 . 1 . 1 13 13 GLU HG2 H 1 2.262 0.020 . 2 . . . . . 94 GLU HG2 . 52151 1 137 . 1 . 1 13 13 GLU HG3 H 1 2.213 0.020 . 2 . . . . . 94 GLU HG3 . 52151 1 138 . 1 . 1 13 13 GLU C C 13 179.278 0.3 . 1 . . . . . 94 GLU C . 52151 1 139 . 1 . 1 13 13 GLU CA C 13 58.995 0.3 . 1 . . . . . 94 GLU CA . 52151 1 140 . 1 . 1 13 13 GLU CB C 13 29.707 0.3 . 1 . . . . . 94 GLU CB . 52151 1 141 . 1 . 1 13 13 GLU CG C 13 35.928 0.3 . 1 . . . . . 94 GLU CG . 52151 1 142 . 1 . 1 13 13 GLU N N 15 119.540 0.3 . 1 . . . . . 94 GLU N . 52151 1 143 . 1 . 1 14 14 THR H H 1 8.365 0.020 . 1 . . . . . 95 THR H . 52151 1 144 . 1 . 1 14 14 THR HA H 1 3.808 0.020 . 1 . . . . . 95 THR HA . 52151 1 145 . 1 . 1 14 14 THR HB H 1 4.172 0.020 . 1 . . . . . 95 THR HB . 52151 1 146 . 1 . 1 14 14 THR HG21 H 1 1.257 0.020 . 1 . . . . . 95 THR HG2 . 52151 1 147 . 1 . 1 14 14 THR HG22 H 1 1.257 0.020 . 1 . . . . . 95 THR HG2 . 52151 1 148 . 1 . 1 14 14 THR HG23 H 1 1.257 0.020 . 1 . . . . . 95 THR HG2 . 52151 1 149 . 1 . 1 14 14 THR C C 13 175.716 0.3 . 1 . . . . . 95 THR C . 52151 1 150 . 1 . 1 14 14 THR CA C 13 67.232 0.3 . 1 . . . . . 95 THR CA . 52151 1 151 . 1 . 1 14 14 THR CB C 13 68.446 0.3 . 1 . . . . . 95 THR CB . 52151 1 152 . 1 . 1 14 14 THR CG2 C 13 21.775 0.3 . 1 . . . . . 95 THR CG2 . 52151 1 153 . 1 . 1 14 14 THR N N 15 117.167 0.3 . 1 . . . . . 95 THR N . 52151 1 154 . 1 . 1 15 15 ALA H H 1 8.229 0.020 . 1 . . . . . 96 ALA H . 52151 1 155 . 1 . 1 15 15 ALA HA H 1 3.745 0.020 . 1 . . . . . 96 ALA HA . 52151 1 156 . 1 . 1 15 15 ALA HB1 H 1 1.416 0.020 . 1 . . . . . 96 ALA HB . 52151 1 157 . 1 . 1 15 15 ALA HB2 H 1 1.416 0.020 . 1 . . . . . 96 ALA HB . 52151 1 158 . 1 . 1 15 15 ALA HB3 H 1 1.416 0.020 . 1 . . . . . 96 ALA HB . 52151 1 159 . 1 . 1 15 15 ALA C C 13 178.249 0.3 . 1 . . . . . 96 ALA C . 52151 1 160 . 1 . 1 15 15 ALA CA C 13 55.862 0.3 . 1 . . . . . 96 ALA CA . 52151 1 161 . 1 . 1 15 15 ALA CB C 13 17.458 0.3 . 1 . . . . . 96 ALA CB . 52151 1 162 . 1 . 1 15 15 ALA N N 15 124.555 0.3 . 1 . . . . . 96 ALA N . 52151 1 163 . 1 . 1 16 16 HIS H H 1 8.060 0.020 . 1 . . . . . 97 HIS H . 52151 1 164 . 1 . 1 16 16 HIS HA H 1 4.386 0.020 . 1 . . . . . 97 HIS HA . 52151 1 165 . 1 . 1 16 16 HIS HB2 H 1 3.276 0.020 . 1 . . . . . 97 HIS HB2 . 52151 1 166 . 1 . 1 16 16 HIS HB3 H 1 3.276 0.020 . 1 . . . . . 97 HIS HB3 . 52151 1 167 . 1 . 1 16 16 HIS C C 13 179.802 0.3 . 1 . . . . . 97 HIS C . 52151 1 168 . 1 . 1 16 16 HIS CA C 13 59.390 0.3 . 1 . . . . . 97 HIS CA . 52151 1 169 . 1 . 1 16 16 HIS CB C 13 29.754 0.3 . 1 . . . . . 97 HIS CB . 52151 1 170 . 1 . 1 16 16 HIS N N 15 117.025 0.3 . 1 . . . . . 97 HIS N . 52151 1 171 . 1 . 1 17 17 ARG HA H 1 3.867 0.020 . 1 . . . . . 98 ARG HA . 52151 1 172 . 1 . 1 17 17 ARG HB2 H 1 1.913 0.020 . 1 . . . . . 98 ARG HB2 . 52151 1 173 . 1 . 1 17 17 ARG HB3 H 1 1.913 0.020 . 1 . . . . . 98 ARG HB3 . 52151 1 174 . 1 . 1 17 17 ARG HG2 H 1 1.784 0.020 . 1 . . . . . 98 ARG HG2 . 52151 1 175 . 1 . 1 17 17 ARG HG3 H 1 1.784 0.020 . 1 . . . . . 98 ARG HG3 . 52151 1 176 . 1 . 1 17 17 ARG HD2 H 1 3.089 0.020 . 1 . . . . . 98 ARG HD2 . 52151 1 177 . 1 . 1 17 17 ARG HD3 H 1 3.089 0.020 . 1 . . . . . 98 ARG HD3 . 52151 1 178 . 1 . 1 17 17 ARG C C 13 177.354 0.3 . 1 . . . . . 98 ARG C . 52151 1 179 . 1 . 1 17 17 ARG CA C 13 58.730 0.3 . 1 . . . . . 98 ARG CA . 52151 1 180 . 1 . 1 17 17 ARG CB C 13 29.801 0.3 . 1 . . . . . 98 ARG CB . 52151 1 181 . 1 . 1 17 17 ARG CG C 13 27.291 0.3 . 1 . . . . . 98 ARG CG . 52151 1 182 . 1 . 1 17 17 ARG CD C 13 43.275 0.3 . 1 . . . . . 98 ARG CD . 52151 1 183 . 1 . 1 18 18 ALA H H 1 7.708 0.020 . 1 . . . . . 99 ALA H . 52151 1 184 . 1 . 1 18 18 ALA HA H 1 4.206 0.020 . 1 . . . . . 99 ALA HA . 52151 1 185 . 1 . 1 18 18 ALA HB1 H 1 1.354 0.020 . 1 . . . . . 99 ALA HB . 52151 1 186 . 1 . 1 18 18 ALA HB2 H 1 1.354 0.020 . 1 . . . . . 99 ALA HB . 52151 1 187 . 1 . 1 18 18 ALA HB3 H 1 1.354 0.020 . 1 . . . . . 99 ALA HB . 52151 1 188 . 1 . 1 18 18 ALA C C 13 176.258 0.3 . 1 . . . . . 99 ALA C . 52151 1 189 . 1 . 1 18 18 ALA CA C 13 51.961 0.3 . 1 . . . . . 99 ALA CA . 52151 1 190 . 1 . 1 18 18 ALA CB C 13 19.422 0.3 . 1 . . . . . 99 ALA CB . 52151 1 191 . 1 . 1 18 18 ALA N N 15 120.344 0.3 . 1 . . . . . 99 ALA N . 52151 1 192 . 1 . 1 19 19 GLY H H 1 7.668 0.020 . 1 . . . . . 100 GLY H . 52151 1 193 . 1 . 1 19 19 GLY HA2 H 1 3.916 0.020 . 1 . . . . . 100 GLY HA2 . 52151 1 194 . 1 . 1 19 19 GLY HA3 H 1 3.916 0.020 . 1 . . . . . 100 GLY HA3 . 52151 1 195 . 1 . 1 19 19 GLY C C 13 174.434 0.3 . 1 . . . . . 100 GLY C . 52151 1 196 . 1 . 1 19 19 GLY CA C 13 45.513 0.3 . 1 . . . . . 100 GLY CA . 52151 1 197 . 1 . 1 19 19 GLY N N 15 106.830 0.3 . 1 . . . . . 100 GLY N . 52151 1 198 . 1 . 1 20 20 LEU H H 1 7.834 0.020 . 1 . . . . . 101 LEU H . 52151 1 199 . 1 . 1 20 20 LEU HA H 1 4.456 0.020 . 1 . . . . . 101 LEU HA . 52151 1 200 . 1 . 1 20 20 LEU HB2 H 1 1.582 0.020 . 1 . . . . . 101 LEU HB2 . 52151 1 201 . 1 . 1 20 20 LEU HB3 H 1 1.582 0.020 . 1 . . . . . 101 LEU HB3 . 52151 1 202 . 1 . 1 20 20 LEU HG H 1 1.502 0.020 . 1 . . . . . 101 LEU HG . 52151 1 203 . 1 . 1 20 20 LEU HD11 H 1 0.824 0.020 . 2 . . . . . 101 LEU HD1 . 52151 1 204 . 1 . 1 20 20 LEU HD12 H 1 0.824 0.020 . 2 . . . . . 101 LEU HD1 . 52151 1 205 . 1 . 1 20 20 LEU HD13 H 1 0.824 0.020 . 2 . . . . . 101 LEU HD1 . 52151 1 206 . 1 . 1 20 20 LEU HD21 H 1 0.775 0.020 . 2 . . . . . 101 LEU HD2 . 52151 1 207 . 1 . 1 20 20 LEU HD22 H 1 0.775 0.020 . 2 . . . . . 101 LEU HD2 . 52151 1 208 . 1 . 1 20 20 LEU HD23 H 1 0.775 0.020 . 2 . . . . . 101 LEU HD2 . 52151 1 209 . 1 . 1 20 20 LEU C C 13 176.417 0.3 . 1 . . . . . 101 LEU C . 52151 1 210 . 1 . 1 20 20 LEU CA C 13 52.896 0.3 . 1 . . . . . 101 LEU CA . 52151 1 211 . 1 . 1 20 20 LEU CB C 13 43.592 0.3 . 1 . . . . . 101 LEU CB . 52151 1 212 . 1 . 1 20 20 LEU CG C 13 27.188 0.3 . 1 . . . . . 101 LEU CG . 52151 1 213 . 1 . 1 20 20 LEU CD1 C 13 23.051 0.3 . 1 . . . . . 101 LEU CD1 . 52151 1 214 . 1 . 1 20 20 LEU CD2 C 13 22.576 0.3 . 1 . . . . . 101 LEU CD2 . 52151 1 215 . 1 . 1 20 20 LEU N N 15 120.381 0.3 . 1 . . . . . 101 LEU N . 52151 1 216 . 1 . 1 21 21 ASP H H 1 7.980 0.020 . 1 . . . . . 102 ASP H . 52151 1 217 . 1 . 1 21 21 ASP HA H 1 4.456 0.020 . 1 . . . . . 102 ASP HA . 52151 1 218 . 1 . 1 21 21 ASP HB2 H 1 2.691 0.020 . 2 . . . . . 102 ASP HB2 . 52151 1 219 . 1 . 1 21 21 ASP HB3 H 1 2.433 0.020 . 2 . . . . . 102 ASP HB3 . 52151 1 220 . 1 . 1 21 21 ASP C C 13 175.061 0.3 . 1 . . . . . 102 ASP C . 52151 1 221 . 1 . 1 21 21 ASP CA C 13 54.193 0.3 . 1 . . . . . 102 ASP CA . 52151 1 222 . 1 . 1 21 21 ASP CB C 13 40.834 0.3 . 1 . . . . . 102 ASP CB . 52151 1 223 . 1 . 1 21 21 ASP N N 15 119.652 0.3 . 1 . . . . . 102 ASP N . 52151 1 224 . 1 . 1 22 22 LEU H H 1 7.951 0.020 . 1 . . . . . 103 LEU H . 52151 1 225 . 1 . 1 22 22 LEU HA H 1 4.135 0.020 . 1 . . . . . 103 LEU HA . 52151 1 226 . 1 . 1 22 22 LEU HB2 H 1 1.583 0.020 . 1 . . . . . 103 LEU HB2 . 52151 1 227 . 1 . 1 22 22 LEU HB3 H 1 1.583 0.020 . 1 . . . . . 103 LEU HB3 . 52151 1 228 . 1 . 1 22 22 LEU HG H 1 1.558 0.020 . 1 . . . . . 103 LEU HG . 52151 1 229 . 1 . 1 22 22 LEU HD11 H 1 0.911 0.020 . 2 . . . . . 103 LEU HD1 . 52151 1 230 . 1 . 1 22 22 LEU HD12 H 1 0.911 0.020 . 2 . . . . . 103 LEU HD1 . 52151 1 231 . 1 . 1 22 22 LEU HD13 H 1 0.911 0.020 . 2 . . . . . 103 LEU HD1 . 52151 1 232 . 1 . 1 22 22 LEU HD21 H 1 0.854 0.020 . 2 . . . . . 103 LEU HD2 . 52151 1 233 . 1 . 1 22 22 LEU HD22 H 1 0.854 0.020 . 2 . . . . . 103 LEU HD2 . 52151 1 234 . 1 . 1 22 22 LEU HD23 H 1 0.854 0.020 . 2 . . . . . 103 LEU HD2 . 52151 1 235 . 1 . 1 22 22 LEU C C 13 175.388 0.3 . 1 . . . . . 103 LEU C . 52151 1 236 . 1 . 1 22 22 LEU CA C 13 53.623 0.3 . 1 . . . . . 103 LEU CA . 52151 1 237 . 1 . 1 22 22 LEU CB C 13 39.672 0.3 . 1 . . . . . 103 LEU CB . 52151 1 238 . 1 . 1 22 22 LEU CG C 13 26.976 0.3 . 1 . . . . . 103 LEU CG . 52151 1 239 . 1 . 1 22 22 LEU CD1 C 13 24.939 0.3 . 1 . . . . . 103 LEU CD1 . 52151 1 240 . 1 . 1 22 22 LEU CD2 C 13 22.847 0.3 . 1 . . . . . 103 LEU CD2 . 52151 1 241 . 1 . 1 22 22 LEU N N 15 119.070 0.3 . 1 . . . . . 103 LEU N . 52151 1 242 . 1 . 1 23 23 PRO HA H 1 4.449 0.020 . 1 . . . . . 104 PRO HA . 52151 1 243 . 1 . 1 23 23 PRO HB2 H 1 2.121 0.020 . 1 . . . . . 104 PRO HB2 . 52151 1 244 . 1 . 1 23 23 PRO HB3 H 1 2.121 0.020 . 1 . . . . . 104 PRO HB3 . 52151 1 245 . 1 . 1 23 23 PRO HG2 H 1 1.710 0.020 . 1 . . . . . 104 PRO HG2 . 52151 1 246 . 1 . 1 23 23 PRO HG3 H 1 1.710 0.020 . 1 . . . . . 104 PRO HG3 . 52151 1 247 . 1 . 1 23 23 PRO C C 13 175.005 0.3 . 1 . . . . . 104 PRO C . 52151 1 248 . 1 . 1 23 23 PRO CA C 13 62.432 0.3 . 1 . . . . . 104 PRO CA . 52151 1 249 . 1 . 1 23 23 PRO CB C 13 32.092 0.3 . 1 . . . . . 104 PRO CB . 52151 1 250 . 1 . 1 23 23 PRO CG C 13 27.563 0.3 . 1 . . . . . 104 PRO CG . 52151 1 251 . 1 . 1 24 24 VAL H H 1 8.088 0.020 . 1 . . . . . 105 VAL H . 52151 1 252 . 1 . 1 24 24 VAL HA H 1 4.198 0.020 . 1 . . . . . 105 VAL HA . 52151 1 253 . 1 . 1 24 24 VAL HB H 1 1.796 0.020 . 1 . . . . . 105 VAL HB . 52151 1 254 . 1 . 1 24 24 VAL HG11 H 1 0.889 0.020 . 2 . . . . . 105 VAL HG1 . 52151 1 255 . 1 . 1 24 24 VAL HG12 H 1 0.889 0.020 . 2 . . . . . 105 VAL HG1 . 52151 1 256 . 1 . 1 24 24 VAL HG13 H 1 0.889 0.020 . 2 . . . . . 105 VAL HG1 . 52151 1 257 . 1 . 1 24 24 VAL HG21 H 1 0.803 0.020 . 2 . . . . . 105 VAL HG2 . 52151 1 258 . 1 . 1 24 24 VAL HG22 H 1 0.803 0.020 . 2 . . . . . 105 VAL HG2 . 52151 1 259 . 1 . 1 24 24 VAL HG23 H 1 0.803 0.020 . 2 . . . . . 105 VAL HG2 . 52151 1 260 . 1 . 1 24 24 VAL C C 13 175.061 0.3 . 1 . . . . . 105 VAL C . 52151 1 261 . 1 . 1 24 24 VAL CA C 13 61.439 0.3 . 1 . . . . . 105 VAL CA . 52151 1 262 . 1 . 1 24 24 VAL CB C 13 34.336 0.3 . 1 . . . . . 105 VAL CB . 52151 1 263 . 1 . 1 24 24 VAL CG1 C 13 20.980 0.3 . 1 . . . . . 105 VAL CG1 . 52151 1 264 . 1 . 1 24 24 VAL CG2 C 13 20.710 0.3 . 1 . . . . . 105 VAL CG2 . 52151 1 265 . 1 . 1 24 24 VAL N N 15 123.109 0.3 . 1 . . . . . 105 VAL N . 52151 1 266 . 1 . 1 25 25 TYR H H 1 9.071 0.020 . 1 . . . . . 106 TYR H . 52151 1 267 . 1 . 1 25 25 TYR HA H 1 4.678 0.020 . 1 . . . . . 106 TYR HA . 52151 1 268 . 1 . 1 25 25 TYR HB2 H 1 2.746 0.020 . 2 . . . . . 106 TYR HB2 . 52151 1 269 . 1 . 1 25 25 TYR HB3 H 1 2.538 0.020 . 2 . . . . . 106 TYR HB3 . 52151 1 270 . 1 . 1 25 25 TYR C C 13 175.747 0.3 . 1 . . . . . 106 TYR C . 52151 1 271 . 1 . 1 25 25 TYR CA C 13 57.775 0.3 . 1 . . . . . 106 TYR CA . 52151 1 272 . 1 . 1 25 25 TYR CB C 13 39.385 0.3 . 1 . . . . . 106 TYR CB . 52151 1 273 . 1 . 1 25 25 TYR N N 15 129.795 0.3 . 1 . . . . . 106 TYR N . 52151 1 274 . 1 . 1 26 26 THR H H 1 8.918 0.020 . 1 . . . . . 107 THR H . 52151 1 275 . 1 . 1 26 26 THR HA H 1 4.518 0.020 . 1 . . . . . 107 THR HA . 52151 1 276 . 1 . 1 26 26 THR HB H 1 3.942 0.020 . 1 . . . . . 107 THR HB . 52151 1 277 . 1 . 1 26 26 THR HG21 H 1 1.079 0.020 . 1 . . . . . 107 THR HG2 . 52151 1 278 . 1 . 1 26 26 THR HG22 H 1 1.079 0.020 . 1 . . . . . 107 THR HG2 . 52151 1 279 . 1 . 1 26 26 THR HG23 H 1 1.079 0.020 . 1 . . . . . 107 THR HG2 . 52151 1 280 . 1 . 1 26 26 THR C C 13 173.611 0.3 . 1 . . . . . 107 THR C . 52151 1 281 . 1 . 1 26 26 THR CA C 13 61.919 0.3 . 1 . . . . . 107 THR CA . 52151 1 282 . 1 . 1 26 26 THR CB C 13 70.054 0.3 . 1 . . . . . 107 THR CB . 52151 1 283 . 1 . 1 26 26 THR CG2 C 13 21.021 0.3 . 1 . . . . . 107 THR CG2 . 52151 1 284 . 1 . 1 26 26 THR N N 15 121.908 0.3 . 1 . . . . . 107 THR N . 52151 1 285 . 1 . 1 27 27 SER H H 1 9.052 0.020 . 1 . . . . . 108 SER H . 52151 1 286 . 1 . 1 27 27 SER HA H 1 5.442 0.020 . 1 . . . . . 108 SER HA . 52151 1 287 . 1 . 1 27 27 SER HB2 H 1 3.715 0.020 . 1 . . . . . 108 SER HB2 . 52151 1 288 . 1 . 1 27 27 SER HB3 H 1 3.715 0.020 . 1 . . . . . 108 SER HB3 . 52151 1 289 . 1 . 1 27 27 SER C C 13 173.359 0.3 . 1 . . . . . 108 SER C . 52151 1 290 . 1 . 1 27 27 SER CA C 13 58.399 0.3 . 1 . . . . . 108 SER CA . 52151 1 291 . 1 . 1 27 27 SER CB C 13 65.466 0.3 . 1 . . . . . 108 SER CB . 52151 1 292 . 1 . 1 27 27 SER N N 15 125.797 0.3 . 1 . . . . . 108 SER N . 52151 1 293 . 1 . 1 28 28 VAL H H 1 8.824 0.020 . 1 . . . . . 109 VAL H . 52151 1 294 . 1 . 1 28 28 VAL HA H 1 4.402 0.020 . 1 . . . . . 109 VAL HA . 52151 1 295 . 1 . 1 28 28 VAL HB H 1 1.931 0.020 . 1 . . . . . 109 VAL HB . 52151 1 296 . 1 . 1 28 28 VAL HG11 H 1 0.817 0.020 . 2 . . . . . 109 VAL HG1 . 52151 1 297 . 1 . 1 28 28 VAL HG12 H 1 0.817 0.020 . 2 . . . . . 109 VAL HG1 . 52151 1 298 . 1 . 1 28 28 VAL HG13 H 1 0.817 0.020 . 2 . . . . . 109 VAL HG1 . 52151 1 299 . 1 . 1 28 28 VAL HG21 H 1 0.782 0.020 . 2 . . . . . 109 VAL HG2 . 52151 1 300 . 1 . 1 28 28 VAL HG22 H 1 0.782 0.020 . 2 . . . . . 109 VAL HG2 . 52151 1 301 . 1 . 1 28 28 VAL HG23 H 1 0.782 0.020 . 2 . . . . . 109 VAL HG2 . 52151 1 302 . 1 . 1 28 28 VAL C C 13 174.593 0.3 . 1 . . . . . 109 VAL C . 52151 1 303 . 1 . 1 28 28 VAL CA C 13 60.283 0.3 . 1 . . . . . 109 VAL CA . 52151 1 304 . 1 . 1 28 28 VAL CB C 13 34.897 0.3 . 1 . . . . . 109 VAL CB . 52151 1 305 . 1 . 1 28 28 VAL CG1 C 13 20.967 0.3 . 1 . . . . . 109 VAL CG1 . 52151 1 306 . 1 . 1 28 28 VAL CG2 C 13 19.854 0.3 . 1 . . . . . 109 VAL CG2 . 52151 1 307 . 1 . 1 28 28 VAL N N 15 122.678 0.3 . 1 . . . . . 109 VAL N . 52151 1 308 . 1 . 1 29 29 ARG H H 1 8.616 0.020 . 1 . . . . . 110 ARG H . 52151 1 309 . 1 . 1 29 29 ARG HA H 1 4.491 0.020 . 1 . . . . . 110 ARG HA . 52151 1 310 . 1 . 1 29 29 ARG HB2 H 1 1.416 0.020 . 1 . . . . . 110 ARG HB2 . 52151 1 311 . 1 . 1 29 29 ARG HB3 H 1 1.416 0.020 . 1 . . . . . 110 ARG HB3 . 52151 1 312 . 1 . 1 29 29 ARG HD2 H 1 2.869 0.020 . 1 . . . . . 110 ARG HD2 . 52151 1 313 . 1 . 1 29 29 ARG HD3 H 1 2.869 0.020 . 1 . . . . . 110 ARG HD3 . 52151 1 314 . 1 . 1 29 29 ARG C C 13 175.622 0.3 . 1 . . . . . 110 ARG C . 52151 1 315 . 1 . 1 29 29 ARG CA C 13 54.532 0.3 . 1 . . . . . 110 ARG CA . 52151 1 316 . 1 . 1 29 29 ARG CB C 13 31.437 0.3 . 1 . . . . . 110 ARG CB . 52151 1 317 . 1 . 1 29 29 ARG N N 15 128.643 0.3 . 1 . . . . . 110 ARG N . 52151 1 318 . 1 . 1 30 30 SER H H 1 8.628 0.020 . 1 . . . . . 111 SER H . 52151 1 319 . 1 . 1 30 30 SER HA H 1 4.393 0.020 . 1 . . . . . 111 SER HA . 52151 1 320 . 1 . 1 30 30 SER HB2 H 1 3.592 0.020 . 1 . . . . . 111 SER HB2 . 52151 1 321 . 1 . 1 30 30 SER HB3 H 1 3.592 0.020 . 1 . . . . . 111 SER HB3 . 52151 1 322 . 1 . 1 30 30 SER C C 13 173.639 0.3 . 1 . . . . . 111 SER C . 52151 1 323 . 1 . 1 30 30 SER CA C 13 57.337 0.3 . 1 . . . . . 111 SER CA . 52151 1 324 . 1 . 1 30 30 SER CB C 13 64.630 0.3 . 1 . . . . . 111 SER CB . 52151 1 325 . 1 . 1 30 30 SER N N 15 121.561 0.3 . 1 . . . . . 111 SER N . 52151 1 326 . 1 . 1 31 31 GLY H H 1 8.142 0.020 . 1 . . . . . 112 GLY H . 52151 1 327 . 1 . 1 31 31 GLY HA2 H 1 4.198 0.020 . 1 . . . . . 112 GLY HA2 . 52151 1 328 . 1 . 1 31 31 GLY HA3 H 1 4.198 0.020 . 1 . . . . . 112 GLY HA3 . 52151 1 329 . 1 . 1 31 31 GLY C C 13 171.676 0.3 . 1 . . . . . 112 GLY C . 52151 1 330 . 1 . 1 31 31 GLY CA C 13 44.200 0.3 . 1 . . . . . 112 GLY CA . 52151 1 331 . 1 . 1 31 31 GLY N N 15 108.686 0.3 . 1 . . . . . 112 GLY N . 52151 1 332 . 1 . 1 32 32 PRO HA H 1 4.373 0.020 . 1 . . . . . 113 PRO HA . 52151 1 333 . 1 . 1 32 32 PRO HB2 H 1 2.238 0.020 . 1 . . . . . 113 PRO HB2 . 52151 1 334 . 1 . 1 32 32 PRO HB3 H 1 2.238 0.020 . 1 . . . . . 113 PRO HB3 . 52151 1 335 . 1 . 1 32 32 PRO HG2 H 1 1.773 0.020 . 1 . . . . . 113 PRO HG2 . 52151 1 336 . 1 . 1 32 32 PRO HG3 H 1 1.773 0.020 . 1 . . . . . 113 PRO HG3 . 52151 1 337 . 1 . 1 32 32 PRO C C 13 177.885 0.3 . 1 . . . . . 113 PRO C . 52151 1 338 . 1 . 1 32 32 PRO CA C 13 62.714 0.3 . 1 . . . . . 113 PRO CA . 52151 1 339 . 1 . 1 32 32 PRO CB C 13 31.858 0.3 . 1 . . . . . 113 PRO CB . 52151 1 340 . 1 . 1 32 32 PRO CG C 13 26.793 0.3 . 1 . . . . . 113 PRO CG . 52151 1 341 . 1 . 1 32 32 PRO CD C 13 49.161 0.3 . 1 . . . . . 113 PRO CD . 52151 1 342 . 1 . 1 33 33 GLY H H 1 8.610 0.020 . 1 . . . . . 114 GLY H . 52151 1 343 . 1 . 1 33 33 GLY C C 13 174.097 0.3 . 1 . . . . . 114 GLY C . 52151 1 344 . 1 . 1 33 33 GLY CA C 13 46.164 0.3 . 1 . . . . . 114 GLY CA . 52151 1 345 . 1 . 1 33 33 GLY N N 15 109.709 0.3 . 1 . . . . . 114 GLY N . 52151 1 346 . 1 . 1 34 34 HIS H H 1 8.003 0.020 . 1 . . . . . 115 HIS H . 52151 1 347 . 1 . 1 34 34 HIS HA H 1 4.548 0.020 . 1 . . . . . 115 HIS HA . 52151 1 348 . 1 . 1 34 34 HIS HB2 H 1 3.009 0.020 . 1 . . . . . 115 HIS HB2 . 52151 1 349 . 1 . 1 34 34 HIS HB3 H 1 3.009 0.020 . 1 . . . . . 115 HIS HB3 . 52151 1 350 . 1 . 1 34 34 HIS C C 13 175.615 0.3 . 1 . . . . . 115 HIS C . 52151 1 351 . 1 . 1 34 34 HIS CA C 13 56.137 0.3 . 1 . . . . . 115 HIS CA . 52151 1 352 . 1 . 1 34 34 HIS CB C 13 30.479 0.3 . 1 . . . . . 115 HIS CB . 52151 1 353 . 1 . 1 34 34 HIS N N 15 116.775 0.3 . 1 . . . . . 115 HIS N . 52151 1 354 . 1 . 1 35 35 ILE H H 1 7.457 0.020 . 1 . . . . . 116 ILE H . 52151 1 355 . 1 . 1 35 35 ILE HA H 1 4.269 0.020 . 1 . . . . . 116 ILE HA . 52151 1 356 . 1 . 1 35 35 ILE HB H 1 1.813 0.020 . 1 . . . . . 116 ILE HB . 52151 1 357 . 1 . 1 35 35 ILE HG12 H 1 1.591 0.020 . 1 . . . . . 116 ILE HG12 . 52151 1 358 . 1 . 1 35 35 ILE HG13 H 1 1.591 0.020 . 1 . . . . . 116 ILE HG13 . 52151 1 359 . 1 . 1 35 35 ILE HG21 H 1 0.732 0.020 . 1 . . . . . 116 ILE HG2 . 52151 1 360 . 1 . 1 35 35 ILE HG22 H 1 0.732 0.020 . 1 . . . . . 116 ILE HG2 . 52151 1 361 . 1 . 1 35 35 ILE HG23 H 1 0.732 0.020 . 1 . . . . . 116 ILE HG2 . 52151 1 362 . 1 . 1 35 35 ILE HD11 H 1 0.695 0.020 . 1 . . . . . 116 ILE HD1 . 52151 1 363 . 1 . 1 35 35 ILE HD12 H 1 0.695 0.020 . 1 . . . . . 116 ILE HD1 . 52151 1 364 . 1 . 1 35 35 ILE HD13 H 1 0.695 0.020 . 1 . . . . . 116 ILE HD1 . 52151 1 365 . 1 . 1 35 35 ILE C C 13 172.311 0.3 . 1 . . . . . 116 ILE C . 52151 1 366 . 1 . 1 35 35 ILE CA C 13 58.740 0.3 . 1 . . . . . 116 ILE CA . 52151 1 367 . 1 . 1 35 35 ILE CB C 13 38.029 0.3 . 1 . . . . . 116 ILE CB . 52151 1 368 . 1 . 1 35 35 ILE CG1 C 13 26.440 0.3 . 1 . . . . . 116 ILE CG1 . 52151 1 369 . 1 . 1 35 35 ILE CG2 C 13 17.646 0.3 . 1 . . . . . 116 ILE CG2 . 52151 1 370 . 1 . 1 35 35 ILE CD1 C 13 12.605 0.3 . 1 . . . . . 116 ILE CD1 . 52151 1 371 . 1 . 1 35 35 ILE N N 15 122.031 0.3 . 1 . . . . . 116 ILE N . 52151 1 372 . 1 . 1 36 36 PRO HA H 1 4.284 0.020 . 1 . . . . . 117 PRO HA . 52151 1 373 . 1 . 1 36 36 PRO HB2 H 1 1.888 0.020 . 1 . . . . . 117 PRO HB2 . 52151 1 374 . 1 . 1 36 36 PRO HB3 H 1 1.888 0.020 . 1 . . . . . 117 PRO HB3 . 52151 1 375 . 1 . 1 36 36 PRO HG2 H 1 1.600 0.020 . 1 . . . . . 117 PRO HG2 . 52151 1 376 . 1 . 1 36 36 PRO HG3 H 1 1.600 0.020 . 1 . . . . . 117 PRO HG3 . 52151 1 377 . 1 . 1 36 36 PRO HD2 H 1 3.506 0.020 . 1 . . . . . 117 PRO HD2 . 52151 1 378 . 1 . 1 36 36 PRO HD3 H 1 3.506 0.020 . 1 . . . . . 117 PRO HD3 . 52151 1 379 . 1 . 1 36 36 PRO C C 13 176.420 0.3 . 1 . . . . . 117 PRO C . 52151 1 380 . 1 . 1 36 36 PRO CA C 13 63.134 0.3 . 1 . . . . . 117 PRO CA . 52151 1 381 . 1 . 1 36 36 PRO CB C 13 31.951 0.3 . 1 . . . . . 117 PRO CB . 52151 1 382 . 1 . 1 36 36 PRO CG C 13 27.229 0.3 . 1 . . . . . 117 PRO CG . 52151 1 383 . 1 . 1 36 36 PRO CD C 13 50.088 0.3 . 1 . . . . . 117 PRO CD . 52151 1 384 . 1 . 1 37 37 THR H H 1 7.962 0.020 . 1 . . . . . 118 THR H . 52151 1 385 . 1 . 1 37 37 THR HA H 1 4.438 0.020 . 1 . . . . . 118 THR HA . 52151 1 386 . 1 . 1 37 37 THR HB H 1 3.867 0.020 . 1 . . . . . 118 THR HB . 52151 1 387 . 1 . 1 37 37 THR HG21 H 1 0.969 0.020 . 1 . . . . . 118 THR HG2 . 52151 1 388 . 1 . 1 37 37 THR HG22 H 1 0.969 0.020 . 1 . . . . . 118 THR HG2 . 52151 1 389 . 1 . 1 37 37 THR HG23 H 1 0.969 0.020 . 1 . . . . . 118 THR HG2 . 52151 1 390 . 1 . 1 37 37 THR C C 13 172.377 0.3 . 1 . . . . . 118 THR C . 52151 1 391 . 1 . 1 37 37 THR CA C 13 60.984 0.3 . 1 . . . . . 118 THR CA . 52151 1 392 . 1 . 1 37 37 THR CB C 13 71.643 0.3 . 1 . . . . . 118 THR CB . 52151 1 393 . 1 . 1 37 37 THR CG2 C 13 21.437 0.3 . 1 . . . . . 118 THR CG2 . 52151 1 394 . 1 . 1 37 37 THR N N 15 115.354 0.3 . 1 . . . . . 118 THR N . 52151 1 395 . 1 . 1 38 38 PHE H H 1 9.202 0.020 . 1 . . . . . 119 PHE H . 52151 1 396 . 1 . 1 38 38 PHE HA H 1 5.176 0.020 . 1 . . . . . 119 PHE HA . 52151 1 397 . 1 . 1 38 38 PHE HB2 H 1 2.458 0.020 . 1 . . . . . 119 PHE HB2 . 52151 1 398 . 1 . 1 38 38 PHE HB3 H 1 2.458 0.020 . 1 . . . . . 119 PHE HB3 . 52151 1 399 . 1 . 1 38 38 PHE C C 13 174.593 0.3 . 1 . . . . . 119 PHE C . 52151 1 400 . 1 . 1 38 38 PHE CA C 13 56.696 0.3 . 1 . . . . . 119 PHE CA . 52151 1 401 . 1 . 1 38 38 PHE CB C 13 43.079 0.3 . 1 . . . . . 119 PHE CB . 52151 1 402 . 1 . 1 38 38 PHE N N 15 121.247 0.3 . 1 . . . . . 119 PHE N . 52151 1 403 . 1 . 1 39 39 SER H H 1 8.573 0.020 . 1 . . . . . 120 SER H . 52151 1 404 . 1 . 1 39 39 SER HA H 1 4.598 0.020 . 1 . . . . . 120 SER HA . 52151 1 405 . 1 . 1 39 39 SER HB2 H 1 3.610 0.020 . 1 . . . . . 120 SER HB2 . 52151 1 406 . 1 . 1 39 39 SER HB3 H 1 3.610 0.020 . 1 . . . . . 120 SER HB3 . 52151 1 407 . 1 . 1 39 39 SER C C 13 172.601 0.3 . 1 . . . . . 120 SER C . 52151 1 408 . 1 . 1 39 39 SER CA C 13 57.296 0.3 . 1 . . . . . 120 SER CA . 52151 1 409 . 1 . 1 39 39 SER CB C 13 64.864 0.3 . 1 . . . . . 120 SER CB . 52151 1 410 . 1 . 1 39 39 SER N N 15 115.826 0.3 . 1 . . . . . 120 SER N . 52151 1 411 . 1 . 1 40 40 CYS H H 1 9.055 0.020 . 1 . . . . . 121 CYS H . 52151 1 412 . 1 . 1 40 40 CYS HA H 1 5.478 0.020 . 1 . . . . . 121 CYS HA . 52151 1 413 . 1 . 1 40 40 CYS HB2 H 1 2.752 0.020 . 1 . . . . . 121 CYS HB2 . 52151 1 414 . 1 . 1 40 40 CYS HB3 H 1 2.752 0.020 . 1 . . . . . 121 CYS HB3 . 52151 1 415 . 1 . 1 40 40 CYS C C 13 172.713 0.3 . 1 . . . . . 121 CYS C . 52151 1 416 . 1 . 1 40 40 CYS CA C 13 56.332 0.3 . 1 . . . . . 121 CYS CA . 52151 1 417 . 1 . 1 40 40 CYS CB C 13 29.473 0.3 . 1 . . . . . 121 CYS CB . 52151 1 418 . 1 . 1 40 40 CYS N N 15 126.844 0.3 . 1 . . . . . 121 CYS N . 52151 1 419 . 1 . 1 41 41 THR H H 1 8.738 0.020 . 1 . . . . . 122 THR H . 52151 1 420 . 1 . 1 41 41 THR HA H 1 5.148 0.020 . 1 . . . . . 122 THR HA . 52151 1 421 . 1 . 1 41 41 THR HB H 1 3.882 0.020 . 1 . . . . . 122 THR HB . 52151 1 422 . 1 . 1 41 41 THR HG21 H 1 1.006 0.020 . 1 . . . . . 122 THR HG2 . 52151 1 423 . 1 . 1 41 41 THR HG22 H 1 1.006 0.020 . 1 . . . . . 122 THR HG2 . 52151 1 424 . 1 . 1 41 41 THR HG23 H 1 1.006 0.020 . 1 . . . . . 122 THR HG2 . 52151 1 425 . 1 . 1 41 41 THR C C 13 173.003 0.3 . 1 . . . . . 122 THR C . 52151 1 426 . 1 . 1 41 41 THR CA C 13 60.779 0.3 . 1 . . . . . 122 THR CA . 52151 1 427 . 1 . 1 41 41 THR CB C 13 71.316 0.3 . 1 . . . . . 122 THR CB . 52151 1 428 . 1 . 1 41 41 THR CG2 C 13 21.396 0.3 . 1 . . . . . 122 THR CG2 . 52151 1 429 . 1 . 1 41 41 THR N N 15 128.074 0.3 . 1 . . . . . 122 THR N . 52151 1 430 . 1 . 1 42 42 VAL H H 1 9.161 0.020 . 1 . . . . . 123 VAL H . 52151 1 431 . 1 . 1 42 42 VAL HA H 1 5.087 0.020 . 1 . . . . . 123 VAL HA . 52151 1 432 . 1 . 1 42 42 VAL HB H 1 1.511 0.020 . 1 . . . . . 123 VAL HB . 52151 1 433 . 1 . 1 42 42 VAL HG11 H 1 0.773 0.020 . 1 . . . . . 123 VAL HG1 . 52151 1 434 . 1 . 1 42 42 VAL HG12 H 1 0.773 0.020 . 1 . . . . . 123 VAL HG1 . 52151 1 435 . 1 . 1 42 42 VAL HG13 H 1 0.773 0.020 . 1 . . . . . 123 VAL HG1 . 52151 1 436 . 1 . 1 42 42 VAL HG21 H 1 0.773 0.020 . 1 . . . . . 123 VAL HG2 . 52151 1 437 . 1 . 1 42 42 VAL HG22 H 1 0.773 0.020 . 1 . . . . . 123 VAL HG2 . 52151 1 438 . 1 . 1 42 42 VAL HG23 H 1 0.773 0.020 . 1 . . . . . 123 VAL HG2 . 52151 1 439 . 1 . 1 42 42 VAL C C 13 172.169 0.3 . 1 . . . . . 123 VAL C . 52151 1 440 . 1 . 1 42 42 VAL CA C 13 57.278 0.3 . 1 . . . . . 123 VAL CA . 52151 1 441 . 1 . 1 42 42 VAL CB C 13 34.569 0.3 . 1 . . . . . 123 VAL CB . 52151 1 442 . 1 . 1 42 42 VAL CG1 C 13 22.308 0.3 . 1 . . . . . 123 VAL CG1 . 52151 1 443 . 1 . 1 42 42 VAL CG2 C 13 21.128 0.3 . 1 . . . . . 123 VAL CG2 . 52151 1 444 . 1 . 1 42 42 VAL N N 15 126.935 0.3 . 1 . . . . . 123 VAL N . 52151 1 445 . 1 . 1 43 43 GLU H H 1 8.551 0.020 . 1 . . . . . 124 GLU H . 52151 1 446 . 1 . 1 43 43 GLU HA H 1 5.291 0.020 . 1 . . . . . 124 GLU HA . 52151 1 447 . 1 . 1 43 43 GLU HB2 H 1 1.900 0.020 . 1 . . . . . 124 GLU HB2 . 52151 1 448 . 1 . 1 43 43 GLU HB3 H 1 1.900 0.020 . 1 . . . . . 124 GLU HB3 . 52151 1 449 . 1 . 1 43 43 GLU C C 13 175.715 0.3 . 1 . . . . . 124 GLU C . 52151 1 450 . 1 . 1 43 43 GLU CA C 13 53.831 0.3 . 1 . . . . . 124 GLU CA . 52151 1 451 . 1 . 1 43 43 GLU CB C 13 32.746 0.3 . 1 . . . . . 124 GLU CB . 52151 1 452 . 1 . 1 43 43 GLU CG C 13 36.357 0.3 . 1 . . . . . 124 GLU CG . 52151 1 453 . 1 . 1 43 43 GLU N N 15 128.381 0.3 . 1 . . . . . 124 GLU N . 52151 1 454 . 1 . 1 44 44 LEU H H 1 8.550 0.020 . 1 . . . . . 125 LEU H . 52151 1 455 . 1 . 1 44 44 LEU HA H 1 4.423 0.020 . 1 . . . . . 125 LEU HA . 52151 1 456 . 1 . 1 44 44 LEU HB2 H 1 1.598 0.020 . 1 . . . . . 125 LEU HB2 . 52151 1 457 . 1 . 1 44 44 LEU HB3 H 1 1.598 0.020 . 1 . . . . . 125 LEU HB3 . 52151 1 458 . 1 . 1 44 44 LEU HG H 1 1.903 0.020 . 1 . . . . . 125 LEU HG . 52151 1 459 . 1 . 1 44 44 LEU HD11 H 1 0.811 0.020 . 2 . . . . . 125 LEU HD1 . 52151 1 460 . 1 . 1 44 44 LEU HD12 H 1 0.811 0.020 . 2 . . . . . 125 LEU HD1 . 52151 1 461 . 1 . 1 44 44 LEU HD13 H 1 0.811 0.020 . 2 . . . . . 125 LEU HD1 . 52151 1 462 . 1 . 1 44 44 LEU HD21 H 1 0.777 0.020 . 2 . . . . . 125 LEU HD2 . 52151 1 463 . 1 . 1 44 44 LEU HD22 H 1 0.777 0.020 . 2 . . . . . 125 LEU HD2 . 52151 1 464 . 1 . 1 44 44 LEU HD23 H 1 0.777 0.020 . 2 . . . . . 125 LEU HD2 . 52151 1 465 . 1 . 1 44 44 LEU C C 13 174.088 0.3 . 1 . . . . . 125 LEU C . 52151 1 466 . 1 . 1 44 44 LEU CA C 13 54.906 0.3 . 1 . . . . . 125 LEU CA . 52151 1 467 . 1 . 1 44 44 LEU CB C 13 44.060 0.3 . 1 . . . . . 125 LEU CB . 52151 1 468 . 1 . 1 44 44 LEU CG C 13 26.759 0.3 . 1 . . . . . 125 LEU CG . 52151 1 469 . 1 . 1 44 44 LEU CD1 C 13 25.711 0.3 . 1 . . . . . 125 LEU CD1 . 52151 1 470 . 1 . 1 44 44 LEU CD2 C 13 25.402 0.3 . 1 . . . . . 125 LEU CD2 . 52151 1 471 . 1 . 1 44 44 LEU N N 15 125.265 0.3 . 1 . . . . . 125 LEU N . 52151 1 472 . 1 . 1 45 45 ALA H H 1 9.153 0.020 . 1 . . . . . 126 ALA H . 52151 1 473 . 1 . 1 45 45 ALA HA H 1 3.798 0.020 . 1 . . . . . 126 ALA HA . 52151 1 474 . 1 . 1 45 45 ALA HB1 H 1 1.147 0.020 . 1 . . . . . 126 ALA HB . 52151 1 475 . 1 . 1 45 45 ALA HB2 H 1 1.147 0.020 . 1 . . . . . 126 ALA HB . 52151 1 476 . 1 . 1 45 45 ALA HB3 H 1 1.147 0.020 . 1 . . . . . 126 ALA HB . 52151 1 477 . 1 . 1 45 45 ALA C C 13 175.509 0.3 . 1 . . . . . 126 ALA C . 52151 1 478 . 1 . 1 45 45 ALA CA C 13 52.382 0.3 . 1 . . . . . 126 ALA CA . 52151 1 479 . 1 . 1 45 45 ALA CB C 13 17.282 0.3 . 1 . . . . . 126 ALA CB . 52151 1 480 . 1 . 1 45 45 ALA N N 15 126.289 0.3 . 1 . . . . . 126 ALA N . 52151 1 481 . 1 . 1 46 46 GLY H H 1 8.546 0.020 . 1 . . . . . 127 GLY H . 52151 1 482 . 1 . 1 46 46 GLY HA2 H 1 3.432 0.020 . 1 . . . . . 127 GLY HA2 . 52151 1 483 . 1 . 1 46 46 GLY HA3 H 1 3.931 0.020 . 2 . . . . . 127 GLY HA3 . 52151 1 484 . 1 . 1 46 46 GLY C C 13 173.901 0.3 . 1 . . . . . 127 GLY C . 52151 1 485 . 1 . 1 46 46 GLY CA C 13 45.322 0.3 . 1 . . . . . 127 GLY CA . 52151 1 486 . 1 . 1 46 46 GLY N N 15 104.481 0.3 . 1 . . . . . 127 GLY N . 52151 1 487 . 1 . 1 47 47 MET H H 1 8.088 0.020 . 1 . . . . . 128 MET H . 52151 1 488 . 1 . 1 47 47 MET HA H 1 4.260 0.020 . 1 . . . . . 128 MET HA . 52151 1 489 . 1 . 1 47 47 MET HB2 H 1 2.090 0.020 . 1 . . . . . 128 MET HB2 . 52151 1 490 . 1 . 1 47 47 MET HB3 H 1 2.090 0.020 . 1 . . . . . 128 MET HB3 . 52151 1 491 . 1 . 1 47 47 MET HG2 H 1 2.305 0.020 . 1 . . . . . 128 MET HG2 . 52151 1 492 . 1 . 1 47 47 MET HG3 H 1 2.305 0.020 . 1 . . . . . 128 MET HG3 . 52151 1 493 . 1 . 1 47 47 MET C C 13 173.686 0.3 . 1 . . . . . 128 MET C . 52151 1 494 . 1 . 1 47 47 MET CA C 13 54.252 0.3 . 1 . . . . . 128 MET CA . 52151 1 495 . 1 . 1 47 47 MET CB C 13 36.065 0.3 . 1 . . . . . 128 MET CB . 52151 1 496 . 1 . 1 47 47 MET CG C 13 31.853 0.3 . 1 . . . . . 128 MET CG . 52151 1 497 . 1 . 1 47 47 MET N N 15 122.292 0.3 . 1 . . . . . 128 MET N . 52151 1 498 . 1 . 1 48 48 SER H H 1 7.630 0.020 . 1 . . . . . 129 SER H . 52151 1 499 . 1 . 1 48 48 SER HA H 1 5.122 0.020 . 1 . . . . . 129 SER HA . 52151 1 500 . 1 . 1 48 48 SER HB2 H 1 3.291 0.020 . 1 . . . . . 129 SER HB2 . 52151 1 501 . 1 . 1 48 48 SER HB3 H 1 3.291 0.020 . 1 . . . . . 129 SER HB3 . 52151 1 502 . 1 . 1 48 48 SER C C 13 172.770 0.3 . 1 . . . . . 129 SER C . 52151 1 503 . 1 . 1 48 48 SER CA C 13 56.559 0.3 . 1 . . . . . 129 SER CA . 52151 1 504 . 1 . 1 48 48 SER CB C 13 65.098 0.3 . 1 . . . . . 129 SER CB . 52151 1 505 . 1 . 1 48 48 SER N N 15 115.091 0.3 . 1 . . . . . 129 SER N . 52151 1 506 . 1 . 1 49 49 PHE H H 1 8.832 0.020 . 1 . . . . . 130 PHE H . 52151 1 507 . 1 . 1 49 49 PHE HA H 1 4.713 0.020 . 1 . . . . . 130 PHE HA . 52151 1 508 . 1 . 1 49 49 PHE HB2 H 1 2.709 0.020 . 1 . . . . . 130 PHE HB2 . 52151 1 509 . 1 . 1 49 49 PHE HB3 H 1 2.709 0.020 . 1 . . . . . 130 PHE HB3 . 52151 1 510 . 1 . 1 49 49 PHE C C 13 173.677 0.3 . 1 . . . . . 130 PHE C . 52151 1 511 . 1 . 1 49 49 PHE CA C 13 56.304 0.3 . 1 . . . . . 130 PHE CA . 52151 1 512 . 1 . 1 49 49 PHE CB C 13 41.111 0.3 . 1 . . . . . 130 PHE CB . 52151 1 513 . 1 . 1 49 49 PHE N N 15 121.781 0.3 . 1 . . . . . 130 PHE N . 52151 1 514 . 1 . 1 50 50 ASN H H 1 8.893 0.020 . 1 . . . . . 131 ASN H . 52151 1 515 . 1 . 1 50 50 ASN HA H 1 5.282 0.020 . 1 . . . . . 131 ASN HA . 52151 1 516 . 1 . 1 50 50 ASN HB2 H 1 2.709 0.020 . 2 . . . . . 131 ASN HB2 . 52151 1 517 . 1 . 1 50 50 ASN HB3 H 1 2.630 0.020 . 2 . . . . . 131 ASN HB3 . 52151 1 518 . 1 . 1 50 50 ASN C C 13 174.976 0.3 . 1 . . . . . 131 ASN C . 52151 1 519 . 1 . 1 50 50 ASN CA C 13 52.105 0.3 . 1 . . . . . 131 ASN CA . 52151 1 520 . 1 . 1 50 50 ASN CB C 13 40.107 0.3 . 1 . . . . . 131 ASN CB . 52151 1 521 . 1 . 1 50 50 ASN N N 15 122.517 0.3 . 1 . . . . . 131 ASN N . 52151 1 522 . 1 . 1 51 51 GLY H H 1 8.438 0.020 . 1 . . . . . 132 GLY H . 52151 1 523 . 1 . 1 51 51 GLY HA2 H 1 3.414 0.020 . 1 . . . . . 132 GLY HA2 . 52151 1 524 . 1 . 1 51 51 GLY HA3 H 1 3.414 0.020 . 1 . . . . . 132 GLY HA3 . 52151 1 525 . 1 . 1 51 51 GLY C C 13 173.266 0.3 . 1 . . . . . 132 GLY C . 52151 1 526 . 1 . 1 51 51 GLY CA C 13 43.359 0.3 . 1 . . . . . 132 GLY CA . 52151 1 527 . 1 . 1 51 51 GLY N N 15 108.557 0.3 . 1 . . . . . 132 GLY N . 52151 1 528 . 1 . 1 52 52 GLU H H 1 8.318 0.020 . 1 . . . . . 133 GLU H . 52151 1 529 . 1 . 1 52 52 GLU HA H 1 4.278 0.020 . 1 . . . . . 133 GLU HA . 52151 1 530 . 1 . 1 52 52 GLU HB2 H 1 2.047 0.020 . 2 . . . . . 133 GLU HB2 . 52151 1 531 . 1 . 1 52 52 GLU HB3 H 1 1.906 0.020 . 2 . . . . . 133 GLU HB3 . 52151 1 532 . 1 . 1 52 52 GLU HG2 H 1 2.366 0.020 . 1 . . . . . 133 GLU HG2 . 52151 1 533 . 1 . 1 52 52 GLU HG3 H 1 2.366 0.020 . 1 . . . . . 133 GLU HG3 . 52151 1 534 . 1 . 1 52 52 GLU C C 13 178.343 0.3 . 1 . . . . . 133 GLU C . 52151 1 535 . 1 . 1 52 52 GLU CA C 13 56.694 0.3 . 1 . . . . . 133 GLU CA . 52151 1 536 . 1 . 1 52 52 GLU CB C 13 29.941 0.3 . 1 . . . . . 133 GLU CB . 52151 1 537 . 1 . 1 52 52 GLU CG C 13 36.092 0.3 . 1 . . . . . 133 GLU CG . 52151 1 538 . 1 . 1 52 52 GLU N N 15 120.846 0.3 . 1 . . . . . 133 GLU N . 52151 1 539 . 1 . 1 53 53 SER H H 1 8.934 0.020 . 1 . . . . . 134 SER H . 52151 1 540 . 1 . 1 53 53 SER HA H 1 4.260 0.020 . 1 . . . . . 134 SER HA . 52151 1 541 . 1 . 1 53 53 SER HB2 H 1 3.818 0.020 . 1 . . . . . 134 SER HB2 . 52151 1 542 . 1 . 1 53 53 SER HB3 H 1 3.818 0.020 . 1 . . . . . 134 SER HB3 . 52151 1 543 . 1 . 1 53 53 SER C C 13 172.723 0.3 . 1 . . . . . 134 SER C . 52151 1 544 . 1 . 1 53 53 SER CA C 13 59.265 0.3 . 1 . . . . . 134 SER CA . 52151 1 545 . 1 . 1 53 53 SER CB C 13 63.836 0.3 . 1 . . . . . 134 SER CB . 52151 1 546 . 1 . 1 53 53 SER N N 15 124.586 0.3 . 1 . . . . . 134 SER N . 52151 1 547 . 1 . 1 54 54 ALA H H 1 9.169 0.020 . 1 . . . . . 135 ALA H . 52151 1 548 . 1 . 1 54 54 ALA HA H 1 4.793 0.020 . 1 . . . . . 135 ALA HA . 52151 1 549 . 1 . 1 54 54 ALA HB1 H 1 1.422 0.020 . 1 . . . . . 135 ALA HB . 52151 1 550 . 1 . 1 54 54 ALA HB2 H 1 1.422 0.020 . 1 . . . . . 135 ALA HB . 52151 1 551 . 1 . 1 54 54 ALA HB3 H 1 1.422 0.020 . 1 . . . . . 135 ALA HB . 52151 1 552 . 1 . 1 54 54 ALA C C 13 176.463 0.3 . 1 . . . . . 135 ALA C . 52151 1 553 . 1 . 1 54 54 ALA CA C 13 50.371 0.3 . 1 . . . . . 135 ALA CA . 52151 1 554 . 1 . 1 54 54 ALA CB C 13 24.308 0.3 . 1 . . . . . 135 ALA CB . 52151 1 555 . 1 . 1 54 54 ALA N N 15 122.006 0.3 . 1 . . . . . 135 ALA N . 52151 1 556 . 1 . 1 55 55 LYS H H 1 8.778 0.020 . 1 . . . . . 136 LYS H . 52151 1 557 . 1 . 1 55 55 LYS HA H 1 4.427 0.020 . 1 . . . . . 136 LYS HA . 52151 1 558 . 1 . 1 55 55 LYS HB2 H 1 1.739 0.020 . 1 . . . . . 136 LYS HB2 . 52151 1 559 . 1 . 1 55 55 LYS HB3 H 1 1.739 0.020 . 1 . . . . . 136 LYS HB3 . 52151 1 560 . 1 . 1 55 55 LYS HG2 H 1 1.532 0.020 . 1 . . . . . 136 LYS HG2 . 52151 1 561 . 1 . 1 55 55 LYS HG3 H 1 1.532 0.020 . 1 . . . . . 136 LYS HG3 . 52151 1 562 . 1 . 1 55 55 LYS HD2 H 1 1.589 0.020 . 1 . . . . . 136 LYS HD2 . 52151 1 563 . 1 . 1 55 55 LYS HD3 H 1 1.589 0.020 . 1 . . . . . 136 LYS HD3 . 52151 1 564 . 1 . 1 55 55 LYS HE2 H 1 2.927 0.020 . 1 . . . . . 136 LYS HE2 . 52151 1 565 . 1 . 1 55 55 LYS HE3 H 1 2.927 0.020 . 1 . . . . . 136 LYS HE3 . 52151 1 566 . 1 . 1 55 55 LYS C C 13 176.024 0.3 . 1 . . . . . 136 LYS C . 52151 1 567 . 1 . 1 55 55 LYS CA C 13 57.477 0.3 . 1 . . . . . 136 LYS CA . 52151 1 568 . 1 . 1 55 55 LYS CB C 13 32.933 0.3 . 1 . . . . . 136 LYS CB . 52151 1 569 . 1 . 1 55 55 LYS CG C 13 25.131 0.3 . 1 . . . . . 136 LYS CG . 52151 1 570 . 1 . 1 55 55 LYS CD C 13 28.798 0.3 . 1 . . . . . 136 LYS CD . 52151 1 571 . 1 . 1 55 55 LYS CE C 13 41.858 0.3 . 1 . . . . . 136 LYS CE . 52151 1 572 . 1 . 1 55 55 LYS N N 15 117.686 0.3 . 1 . . . . . 136 LYS N . 52151 1 573 . 1 . 1 56 56 THR H H 1 7.062 0.020 . 1 . . . . . 137 THR H . 52151 1 574 . 1 . 1 56 56 THR HA H 1 4.456 0.020 . 1 . . . . . 137 THR HA . 52151 1 575 . 1 . 1 56 56 THR HB H 1 4.280 0.020 . 1 . . . . . 137 THR HB . 52151 1 576 . 1 . 1 56 56 THR HG21 H 1 1.110 0.020 . 1 . . . . . 137 THR HG2 . 52151 1 577 . 1 . 1 56 56 THR HG22 H 1 1.110 0.020 . 1 . . . . . 137 THR HG2 . 52151 1 578 . 1 . 1 56 56 THR HG23 H 1 1.110 0.020 . 1 . . . . . 137 THR HG2 . 52151 1 579 . 1 . 1 56 56 THR C C 13 173.630 0.3 . 1 . . . . . 137 THR C . 52151 1 580 . 1 . 1 56 56 THR CA C 13 58.132 0.3 . 1 . . . . . 137 THR CA . 52151 1 581 . 1 . 1 56 56 THR CB C 13 72.111 0.3 . 1 . . . . . 137 THR CB . 52151 1 582 . 1 . 1 56 56 THR CG2 C 13 21.507 0.3 . 1 . . . . . 137 THR CG2 . 52151 1 583 . 1 . 1 56 56 THR N N 15 104.024 0.3 . 1 . . . . . 137 THR N . 52151 1 584 . 1 . 1 57 57 LYS H H 1 8.070 0.020 . 1 . . . . . 138 LYS H . 52151 1 585 . 1 . 1 57 57 LYS HA H 1 4.309 0.020 . 1 . . . . . 138 LYS HA . 52151 1 586 . 1 . 1 57 57 LYS HG2 H 1 1.220 0.020 . 1 . . . . . 138 LYS HG2 . 52151 1 587 . 1 . 1 57 57 LYS HG3 H 1 1.220 0.020 . 1 . . . . . 138 LYS HG3 . 52151 1 588 . 1 . 1 57 57 LYS HE2 H 1 3.071 0.020 . 1 . . . . . 138 LYS HE2 . 52151 1 589 . 1 . 1 57 57 LYS HE3 H 1 3.071 0.020 . 1 . . . . . 138 LYS HE3 . 52151 1 590 . 1 . 1 57 57 LYS C C 13 177.875 0.3 . 1 . . . . . 138 LYS C . 52151 1 591 . 1 . 1 57 57 LYS CA C 13 59.628 0.3 . 1 . . . . . 138 LYS CA . 52151 1 592 . 1 . 1 57 57 LYS CB C 13 31.671 0.3 . 1 . . . . . 138 LYS CB . 52151 1 593 . 1 . 1 57 57 LYS CG C 13 24.529 0.3 . 1 . . . . . 138 LYS CG . 52151 1 594 . 1 . 1 57 57 LYS CD C 13 29.401 0.3 . 1 . . . . . 138 LYS CD . 52151 1 595 . 1 . 1 57 57 LYS CE C 13 41.406 0.3 . 1 . . . . . 138 LYS CE . 52151 1 596 . 1 . 1 57 57 LYS N N 15 125.867 0.3 . 1 . . . . . 138 LYS N . 52151 1 597 . 1 . 1 58 58 LYS H H 1 8.179 0.020 . 1 . . . . . 139 LYS H . 52151 1 598 . 1 . 1 58 58 LYS HA H 1 4.260 0.020 . 1 . . . . . 139 LYS HA . 52151 1 599 . 1 . 1 58 58 LYS HB2 H 1 1.655 0.020 . 1 . . . . . 139 LYS HB2 . 52151 1 600 . 1 . 1 58 58 LYS HB3 H 1 1.655 0.020 . 1 . . . . . 139 LYS HB3 . 52151 1 601 . 1 . 1 58 58 LYS HG2 H 1 1.269 0.020 . 1 . . . . . 139 LYS HG2 . 52151 1 602 . 1 . 1 58 58 LYS HG3 H 1 1.269 0.020 . 1 . . . . . 139 LYS HG3 . 52151 1 603 . 1 . 1 58 58 LYS HD2 H 1 1.490 0.020 . 1 . . . . . 139 LYS HD2 . 52151 1 604 . 1 . 1 58 58 LYS HD3 H 1 1.490 0.020 . 1 . . . . . 139 LYS HD3 . 52151 1 605 . 1 . 1 58 58 LYS HE2 H 1 3.095 0.020 . 1 . . . . . 139 LYS HE2 . 52151 1 606 . 1 . 1 58 58 LYS HE3 H 1 3.095 0.020 . 1 . . . . . 139 LYS HE3 . 52151 1 607 . 1 . 1 58 58 LYS C C 13 179.568 0.3 . 1 . . . . . 139 LYS C . 52151 1 608 . 1 . 1 58 58 LYS CA C 13 59.053 0.3 . 1 . . . . . 139 LYS CA . 52151 1 609 . 1 . 1 58 58 LYS CB C 13 31.857 0.3 . 1 . . . . . 139 LYS CB . 52151 1 610 . 1 . 1 58 58 LYS CG C 13 24.830 0.3 . 1 . . . . . 139 LYS CG . 52151 1 611 . 1 . 1 58 58 LYS CD C 13 28.698 0.3 . 1 . . . . . 139 LYS CD . 52151 1 612 . 1 . 1 58 58 LYS CE C 13 41.557 0.3 . 1 . . . . . 139 LYS CE . 52151 1 613 . 1 . 1 58 58 LYS N N 15 117.854 0.3 . 1 . . . . . 139 LYS N . 52151 1 614 . 1 . 1 59 59 GLN H H 1 7.637 0.020 . 1 . . . . . 140 GLN H . 52151 1 615 . 1 . 1 59 59 GLN HA H 1 3.737 0.020 . 1 . . . . . 140 GLN HA . 52151 1 616 . 1 . 1 59 59 GLN HB2 H 1 2.140 0.020 . 1 . . . . . 140 GLN HB2 . 52151 1 617 . 1 . 1 59 59 GLN HB3 H 1 2.140 0.020 . 1 . . . . . 140 GLN HB3 . 52151 1 618 . 1 . 1 59 59 GLN HG2 H 1 2.404 0.020 . 1 . . . . . 140 GLN HG2 . 52151 1 619 . 1 . 1 59 59 GLN HG3 H 1 2.404 0.020 . 1 . . . . . 140 GLN HG3 . 52151 1 620 . 1 . 1 59 59 GLN C C 13 177.099 0.3 . 1 . . . . . 140 GLN C . 52151 1 621 . 1 . 1 59 59 GLN CA C 13 57.207 0.3 . 1 . . . . . 140 GLN CA . 52151 1 622 . 1 . 1 59 59 GLN CB C 13 28.164 0.3 . 1 . . . . . 140 GLN CB . 52151 1 623 . 1 . 1 59 59 GLN CG C 13 33.730 0.3 . 1 . . . . . 140 GLN CG . 52151 1 624 . 1 . 1 59 59 GLN N N 15 119.148 0.3 . 1 . . . . . 140 GLN N . 52151 1 625 . 1 . 1 60 60 ALA H H 1 8.116 0.020 . 1 . . . . . 141 ALA H . 52151 1 626 . 1 . 1 60 60 ALA HA H 1 3.855 0.020 . 1 . . . . . 141 ALA HA . 52151 1 627 . 1 . 1 60 60 ALA HB1 H 1 1.435 0.020 . 1 . . . . . 141 ALA HB . 52151 1 628 . 1 . 1 60 60 ALA HB2 H 1 1.435 0.020 . 1 . . . . . 141 ALA HB . 52151 1 629 . 1 . 1 60 60 ALA HB3 H 1 1.435 0.020 . 1 . . . . . 141 ALA HB . 52151 1 630 . 1 . 1 60 60 ALA C C 13 181.083 0.3 . 1 . . . . . 141 ALA C . 52151 1 631 . 1 . 1 60 60 ALA CA C 13 55.759 0.3 . 1 . . . . . 141 ALA CA . 52151 1 632 . 1 . 1 60 60 ALA CB C 13 17.271 0.3 . 1 . . . . . 141 ALA CB . 52151 1 633 . 1 . 1 60 60 ALA N N 15 124.998 0.3 . 1 . . . . . 141 ALA N . 52151 1 634 . 1 . 1 61 61 GLU H H 1 8.216 0.020 . 1 . . . . . 142 GLU H . 52151 1 635 . 1 . 1 61 61 GLU HA H 1 4.198 0.020 . 1 . . . . . 142 GLU HA . 52151 1 636 . 1 . 1 61 61 GLU HB2 H 1 2.066 0.020 . 1 . . . . . 142 GLU HB2 . 52151 1 637 . 1 . 1 61 61 GLU HB3 H 1 2.066 0.020 . 1 . . . . . 142 GLU HB3 . 52151 1 638 . 1 . 1 61 61 GLU HG2 H 1 2.446 0.020 . 1 . . . . . 142 GLU HG2 . 52151 1 639 . 1 . 1 61 61 GLU HG3 H 1 2.446 0.020 . 1 . . . . . 142 GLU HG3 . 52151 1 640 . 1 . 1 61 61 GLU C C 13 178.399 0.3 . 1 . . . . . 142 GLU C . 52151 1 641 . 1 . 1 61 61 GLU CA C 13 59.114 0.3 . 1 . . . . . 142 GLU CA . 52151 1 642 . 1 . 1 61 61 GLU CB C 13 29.566 0.3 . 1 . . . . . 142 GLU CB . 52151 1 643 . 1 . 1 61 61 GLU CG C 13 35.070 0.3 . 1 . . . . . 142 GLU CG . 52151 1 644 . 1 . 1 61 61 GLU N N 15 120.841 0.3 . 1 . . . . . 142 GLU N . 52151 1 645 . 1 . 1 62 62 LYS H H 1 7.334 0.020 . 1 . . . . . 143 LYS H . 52151 1 646 . 1 . 1 62 62 LYS HA H 1 3.751 0.020 . 1 . . . . . 143 LYS HA . 52151 1 647 . 1 . 1 62 62 LYS HB2 H 1 1.919 0.020 . 1 . . . . . 143 LYS HB2 . 52151 1 648 . 1 . 1 62 62 LYS HB3 H 1 1.919 0.020 . 1 . . . . . 143 LYS HB3 . 52151 1 649 . 1 . 1 62 62 LYS HG2 H 1 1.226 0.020 . 1 . . . . . 143 LYS HG2 . 52151 1 650 . 1 . 1 62 62 LYS HG3 H 1 1.226 0.020 . 1 . . . . . 143 LYS HG3 . 52151 1 651 . 1 . 1 62 62 LYS HD2 H 1 1.557 0.020 . 1 . . . . . 143 LYS HD2 . 52151 1 652 . 1 . 1 62 62 LYS HD3 H 1 1.557 0.020 . 1 . . . . . 143 LYS HD3 . 52151 1 653 . 1 . 1 62 62 LYS HE2 H 1 3.051 0.020 . 1 . . . . . 143 LYS HE2 . 52151 1 654 . 1 . 1 62 62 LYS HE3 H 1 3.051 0.020 . 1 . . . . . 143 LYS HE3 . 52151 1 655 . 1 . 1 62 62 LYS C C 13 178.913 0.3 . 1 . . . . . 143 LYS C . 52151 1 656 . 1 . 1 62 62 LYS CA C 13 60.309 0.3 . 1 . . . . . 143 LYS CA . 52151 1 657 . 1 . 1 62 62 LYS CB C 13 31.996 0.3 . 1 . . . . . 143 LYS CB . 52151 1 658 . 1 . 1 62 62 LYS CG C 13 25.689 0.3 . 1 . . . . . 143 LYS CG . 52151 1 659 . 1 . 1 62 62 LYS CD C 13 29.550 0.3 . 1 . . . . . 143 LYS CD . 52151 1 660 . 1 . 1 62 62 LYS CE C 13 42.095 0.3 . 1 . . . . . 143 LYS CE . 52151 1 661 . 1 . 1 62 62 LYS N N 15 120.059 0.3 . 1 . . . . . 143 LYS N . 52151 1 662 . 1 . 1 63 63 ASN H H 1 8.543 0.020 . 1 . . . . . 144 ASN H . 52151 1 663 . 1 . 1 63 63 ASN HA H 1 4.431 0.020 . 1 . . . . . 144 ASN HA . 52151 1 664 . 1 . 1 63 63 ASN HB2 H 1 3.040 0.020 . 1 . . . . . 144 ASN HB2 . 52151 1 665 . 1 . 1 63 63 ASN HB3 H 1 3.040 0.020 . 1 . . . . . 144 ASN HB3 . 52151 1 666 . 1 . 1 63 63 ASN C C 13 178.932 0.3 . 1 . . . . . 144 ASN C . 52151 1 667 . 1 . 1 63 63 ASN CA C 13 54.567 0.3 . 1 . . . . . 144 ASN CA . 52151 1 668 . 1 . 1 63 63 ASN CB C 13 36.954 0.3 . 1 . . . . . 144 ASN CB . 52151 1 669 . 1 . 1 63 63 ASN N N 15 118.784 0.3 . 1 . . . . . 144 ASN N . 52151 1 670 . 1 . 1 64 64 ALA H H 1 8.110 0.020 . 1 . . . . . 145 ALA H . 52151 1 671 . 1 . 1 64 64 ALA HA H 1 4.011 0.020 . 1 . . . . . 145 ALA HA . 52151 1 672 . 1 . 1 64 64 ALA HB1 H 1 1.471 0.020 . 1 . . . . . 145 ALA HB . 52151 1 673 . 1 . 1 64 64 ALA HB2 H 1 1.471 0.020 . 1 . . . . . 145 ALA HB . 52151 1 674 . 1 . 1 64 64 ALA HB3 H 1 1.471 0.020 . 1 . . . . . 145 ALA HB . 52151 1 675 . 1 . 1 64 64 ALA C C 13 177.109 0.3 . 1 . . . . . 145 ALA C . 52151 1 676 . 1 . 1 64 64 ALA CA C 13 55.361 0.3 . 1 . . . . . 145 ALA CA . 52151 1 677 . 1 . 1 64 64 ALA CB C 13 17.240 0.3 . 1 . . . . . 145 ALA CB . 52151 1 678 . 1 . 1 64 64 ALA N N 15 127.701 0.3 . 1 . . . . . 145 ALA N . 52151 1 679 . 1 . 1 65 65 ALA H H 1 8.073 0.020 . 1 . . . . . 146 ALA H . 52151 1 680 . 1 . 1 65 65 ALA HA H 1 4.057 0.020 . 1 . . . . . 146 ALA HA . 52151 1 681 . 1 . 1 65 65 ALA HB1 H 1 1.551 0.020 . 1 . . . . . 146 ALA HB . 52151 1 682 . 1 . 1 65 65 ALA HB2 H 1 1.551 0.020 . 1 . . . . . 146 ALA HB . 52151 1 683 . 1 . 1 65 65 ALA HB3 H 1 1.551 0.020 . 1 . . . . . 146 ALA HB . 52151 1 684 . 1 . 1 65 65 ALA C C 13 179.241 0.3 . 1 . . . . . 146 ALA C . 52151 1 685 . 1 . 1 65 65 ALA CA C 13 55.364 0.3 . 1 . . . . . 146 ALA CA . 52151 1 686 . 1 . 1 65 65 ALA CB C 13 17.599 0.3 . 1 . . . . . 146 ALA CB . 52151 1 687 . 1 . 1 65 65 ALA N N 15 120.762 0.3 . 1 . . . . . 146 ALA N . 52151 1 688 . 1 . 1 66 66 ILE H H 1 7.863 0.020 . 1 . . . . . 147 ILE H . 52151 1 689 . 1 . 1 66 66 ILE HA H 1 3.262 0.020 . 1 . . . . . 147 ILE HA . 52151 1 690 . 1 . 1 66 66 ILE HB H 1 1.600 0.020 . 1 . . . . . 147 ILE HB . 52151 1 691 . 1 . 1 66 66 ILE HG12 H 1 1.226 0.020 . 1 . . . . . 147 ILE HG12 . 52151 1 692 . 1 . 1 66 66 ILE HG13 H 1 1.226 0.020 . 1 . . . . . 147 ILE HG13 . 52151 1 693 . 1 . 1 66 66 ILE HG21 H 1 0.738 0.020 . 1 . . . . . 147 ILE HG2 . 52151 1 694 . 1 . 1 66 66 ILE HG22 H 1 0.738 0.020 . 1 . . . . . 147 ILE HG2 . 52151 1 695 . 1 . 1 66 66 ILE HG23 H 1 0.738 0.020 . 1 . . . . . 147 ILE HG2 . 52151 1 696 . 1 . 1 66 66 ILE HD11 H 1 0.528 0.020 . 1 . . . . . 147 ILE HD1 . 52151 1 697 . 1 . 1 66 66 ILE HD12 H 1 0.528 0.020 . 1 . . . . . 147 ILE HD1 . 52151 1 698 . 1 . 1 66 66 ILE HD13 H 1 0.528 0.020 . 1 . . . . . 147 ILE HD1 . 52151 1 699 . 1 . 1 66 66 ILE C C 13 176.267 0.3 . 1 . . . . . 147 ILE C . 52151 1 700 . 1 . 1 66 66 ILE CA C 13 65.285 0.3 . 1 . . . . . 147 ILE CA . 52151 1 701 . 1 . 1 66 66 ILE CB C 13 38.064 0.3 . 1 . . . . . 147 ILE CB . 52151 1 702 . 1 . 1 66 66 ILE CG1 C 13 29.336 0.3 . 1 . . . . . 147 ILE CG1 . 52151 1 703 . 1 . 1 66 66 ILE CG2 C 13 17.753 0.3 . 1 . . . . . 147 ILE CG2 . 52151 1 704 . 1 . 1 66 66 ILE CD1 C 13 16.091 0.3 . 1 . . . . . 147 ILE CD1 . 52151 1 705 . 1 . 1 66 66 ILE N N 15 118.063 0.3 . 1 . . . . . 147 ILE N . 52151 1 706 . 1 . 1 67 67 ALA H H 1 7.288 0.020 . 1 . . . . . 148 ALA H . 52151 1 707 . 1 . 1 67 67 ALA HA H 1 4.038 0.020 . 1 . . . . . 148 ALA HA . 52151 1 708 . 1 . 1 67 67 ALA HB1 H 1 1.465 0.020 . 1 . . . . . 148 ALA HB . 52151 1 709 . 1 . 1 67 67 ALA HB2 H 1 1.465 0.020 . 1 . . . . . 148 ALA HB . 52151 1 710 . 1 . 1 67 67 ALA HB3 H 1 1.465 0.020 . 1 . . . . . 148 ALA HB . 52151 1 711 . 1 . 1 67 67 ALA C C 13 180.774 0.3 . 1 . . . . . 148 ALA C . 52151 1 712 . 1 . 1 67 67 ALA CA C 13 54.719 0.3 . 1 . . . . . 148 ALA CA . 52151 1 713 . 1 . 1 67 67 ALA CB C 13 17.997 0.3 . 1 . . . . . 148 ALA CB . 52151 1 714 . 1 . 1 67 67 ALA N N 15 122.998 0.3 . 1 . . . . . 148 ALA N . 52151 1 715 . 1 . 1 68 68 ALA H H 1 8.060 0.020 . 1 . . . . . 149 ALA H . 52151 1 716 . 1 . 1 68 68 ALA HA H 1 2.686 0.020 . 1 . . . . . 149 ALA HA . 52151 1 717 . 1 . 1 68 68 ALA HB1 H 1 0.846 0.020 . 1 . . . . . 149 ALA HB . 52151 1 718 . 1 . 1 68 68 ALA HB2 H 1 0.846 0.020 . 1 . . . . . 149 ALA HB . 52151 1 719 . 1 . 1 68 68 ALA HB3 H 1 0.846 0.020 . 1 . . . . . 149 ALA HB . 52151 1 720 . 1 . 1 68 68 ALA C C 13 177.875 0.3 . 1 . . . . . 149 ALA C . 52151 1 721 . 1 . 1 68 68 ALA CA C 13 54.130 0.3 . 1 . . . . . 149 ALA CA . 52151 1 722 . 1 . 1 68 68 ALA CB C 13 18.892 0.3 . 1 . . . . . 149 ALA CB . 52151 1 723 . 1 . 1 68 68 ALA N N 15 121.073 0.3 . 1 . . . . . 149 ALA N . 52151 1 724 . 1 . 1 69 69 TRP H H 1 8.634 0.020 . 1 . . . . . 150 TRP H . 52151 1 725 . 1 . 1 69 69 TRP HA H 1 5.209 0.020 . 1 . . . . . 150 TRP HA . 52151 1 726 . 1 . 1 69 69 TRP HB2 H 1 3.206 0.020 . 1 . . . . . 150 TRP HB2 . 52151 1 727 . 1 . 1 69 69 TRP HB3 H 1 3.206 0.020 . 1 . . . . . 150 TRP HB3 . 52151 1 728 . 1 . 1 69 69 TRP HZ2 H 1 6.471 0.020 . 1 . . . . . 150 TRP HZ2 . 52151 1 729 . 1 . 1 69 69 TRP HZ3 H 1 6.528 0.020 . 1 . . . . . 150 TRP HZ3 . 52151 1 730 . 1 . 1 69 69 TRP C C 13 177.046 0.3 . 1 . . . . . 150 TRP C . 52151 1 731 . 1 . 1 69 69 TRP CA C 13 60.984 0.3 . 1 . . . . . 150 TRP CA . 52151 1 732 . 1 . 1 69 69 TRP CB C 13 29.193 0.3 . 1 . . . . . 150 TRP CB . 52151 1 733 . 1 . 1 69 69 TRP N N 15 119.712 0.3 . 1 . . . . . 150 TRP N . 52151 1 734 . 1 . 1 70 70 PHE H H 1 8.548 0.020 . 1 . . . . . 151 PHE H . 52151 1 735 . 1 . 1 70 70 PHE HA H 1 3.944 0.020 . 1 . . . . . 151 PHE HA . 52151 1 736 . 1 . 1 70 70 PHE HB2 H 1 3.034 0.020 . 1 . . . . . 151 PHE HB2 . 52151 1 737 . 1 . 1 70 70 PHE HB3 H 1 3.034 0.020 . 1 . . . . . 151 PHE HB3 . 52151 1 738 . 1 . 1 70 70 PHE C C 13 178.362 0.3 . 1 . . . . . 151 PHE C . 52151 1 739 . 1 . 1 70 70 PHE CA C 13 60.167 0.3 . 1 . . . . . 151 PHE CA . 52151 1 740 . 1 . 1 70 70 PHE CB C 13 37.047 0.3 . 1 . . . . . 151 PHE CB . 52151 1 741 . 1 . 1 70 70 PHE N N 15 114.958 0.3 . 1 . . . . . 151 PHE N . 52151 1 742 . 1 . 1 71 71 SER H H 1 7.520 0.020 . 1 . . . . . 152 SER H . 52151 1 743 . 1 . 1 71 71 SER HA H 1 4.207 0.020 . 1 . . . . . 152 SER HA . 52151 1 744 . 1 . 1 71 71 SER HB2 H 1 3.855 0.020 . 1 . . . . . 152 SER HB2 . 52151 1 745 . 1 . 1 71 71 SER HB3 H 1 3.855 0.020 . 1 . . . . . 152 SER HB3 . 52151 1 746 . 1 . 1 71 71 SER C C 13 178.338 0.3 . 1 . . . . . 152 SER C . 52151 1 747 . 1 . 1 71 71 SER CA C 13 61.756 0.3 . 1 . . . . . 152 SER CA . 52151 1 748 . 1 . 1 71 71 SER CB C 13 63.228 0.3 . 1 . . . . . 152 SER CB . 52151 1 749 . 1 . 1 71 71 SER N N 15 115.617 0.3 . 1 . . . . . 152 SER N . 52151 1 750 . 1 . 1 72 72 LEU H H 1 8.337 0.020 . 1 . . . . . 153 LEU H . 52151 1 751 . 1 . 1 72 72 LEU HA H 1 4.144 0.020 . 1 . . . . . 153 LEU HA . 52151 1 752 . 1 . 1 72 72 LEU HB2 H 1 1.698 0.020 . 1 . . . . . 153 LEU HB2 . 52151 1 753 . 1 . 1 72 72 LEU HB3 H 1 1.698 0.020 . 1 . . . . . 153 LEU HB3 . 52151 1 754 . 1 . 1 72 72 LEU HG H 1 1.457 0.020 . 1 . . . . . 153 LEU HG . 52151 1 755 . 1 . 1 72 72 LEU HD11 H 1 0.821 0.020 . 1 . . . . . 153 LEU HD1 . 52151 1 756 . 1 . 1 72 72 LEU HD12 H 1 0.821 0.020 . 1 . . . . . 153 LEU HD1 . 52151 1 757 . 1 . 1 72 72 LEU HD13 H 1 0.821 0.020 . 1 . . . . . 153 LEU HD1 . 52151 1 758 . 1 . 1 72 72 LEU HD21 H 1 0.821 0.020 . 1 . . . . . 153 LEU HD2 . 52151 1 759 . 1 . 1 72 72 LEU HD22 H 1 0.821 0.020 . 1 . . . . . 153 LEU HD2 . 52151 1 760 . 1 . 1 72 72 LEU HD23 H 1 0.821 0.020 . 1 . . . . . 153 LEU HD2 . 52151 1 761 . 1 . 1 72 72 LEU C C 13 178.470 0.3 . 1 . . . . . 153 LEU C . 52151 1 762 . 1 . 1 72 72 LEU CA C 13 57.498 0.3 . 1 . . . . . 153 LEU CA . 52151 1 763 . 1 . 1 72 72 LEU CB C 13 42.101 0.3 . 1 . . . . . 153 LEU CB . 52151 1 764 . 1 . 1 72 72 LEU CG C 13 26.601 0.3 . 1 . . . . . 153 LEU CG . 52151 1 765 . 1 . 1 72 72 LEU CD1 C 13 24.081 0.3 . 1 . . . . . 153 LEU CD1 . 52151 1 766 . 1 . 1 72 72 LEU CD2 C 13 23.098 0.3 . 1 . . . . . 153 LEU CD2 . 52151 1 767 . 1 . 1 72 72 LEU N N 15 123.121 0.3 . 1 . . . . . 153 LEU N . 52151 1 768 . 1 . 1 73 73 ARG H H 1 7.610 0.020 . 1 . . . . . 154 ARG H . 52151 1 769 . 1 . 1 73 73 ARG HA H 1 4.278 0.020 . 1 . . . . . 154 ARG HA . 52151 1 770 . 1 . 1 73 73 ARG HB2 H 1 1.471 0.020 . 1 . . . . . 154 ARG HB2 . 52151 1 771 . 1 . 1 73 73 ARG HB3 H 1 1.471 0.020 . 1 . . . . . 154 ARG HB3 . 52151 1 772 . 1 . 1 73 73 ARG HG2 H 1 1.140 0.020 . 1 . . . . . 154 ARG HG2 . 52151 1 773 . 1 . 1 73 73 ARG HG3 H 1 1.140 0.020 . 1 . . . . . 154 ARG HG3 . 52151 1 774 . 1 . 1 73 73 ARG HD2 H 1 3.299 0.020 . 1 . . . . . 154 ARG HD2 . 52151 1 775 . 1 . 1 73 73 ARG HD3 H 1 3.299 0.020 . 1 . . . . . 154 ARG HD3 . 52151 1 776 . 1 . 1 73 73 ARG C C 13 175.668 0.3 . 1 . . . . . 154 ARG C . 52151 1 777 . 1 . 1 73 73 ARG CA C 13 57.285 0.3 . 1 . . . . . 154 ARG CA . 52151 1 778 . 1 . 1 73 73 ARG CB C 13 28.679 0.3 . 1 . . . . . 154 ARG CB . 52151 1 779 . 1 . 1 73 73 ARG CG C 13 25.850 0.3 . 1 . . . . . 154 ARG CG . 52151 1 780 . 1 . 1 73 73 ARG CD C 13 43.221 0.3 . 1 . . . . . 154 ARG CD . 52151 1 781 . 1 . 1 73 73 ARG N N 15 114.774 0.3 . 1 . . . . . 154 ARG N . 52151 1 782 . 1 . 1 74 74 LYS H H 1 6.910 0.020 . 1 . . . . . 155 LYS H . 52151 1 783 . 1 . 1 74 74 LYS HA H 1 4.304 0.020 . 1 . . . . . 155 LYS HA . 52151 1 784 . 1 . 1 74 74 LYS HB2 H 1 1.813 0.020 . 1 . . . . . 155 LYS HB2 . 52151 1 785 . 1 . 1 74 74 LYS HB3 H 1 1.813 0.020 . 1 . . . . . 155 LYS HB3 . 52151 1 786 . 1 . 1 74 74 LYS HG2 H 1 1.430 0.020 . 1 . . . . . 155 LYS HG2 . 52151 1 787 . 1 . 1 74 74 LYS HG3 H 1 1.430 0.020 . 1 . . . . . 155 LYS HG3 . 52151 1 788 . 1 . 1 74 74 LYS HD2 H 1 1.576 0.020 . 1 . . . . . 155 LYS HD2 . 52151 1 789 . 1 . 1 74 74 LYS HD3 H 1 1.576 0.020 . 1 . . . . . 155 LYS HD3 . 52151 1 790 . 1 . 1 74 74 LYS HE2 H 1 2.878 0.020 . 1 . . . . . 155 LYS HE2 . 52151 1 791 . 1 . 1 74 74 LYS HE3 H 1 2.878 0.020 . 1 . . . . . 155 LYS HE3 . 52151 1 792 . 1 . 1 74 74 LYS C C 13 176.295 0.3 . 1 . . . . . 155 LYS C . 52151 1 793 . 1 . 1 74 74 LYS CA C 13 55.467 0.3 . 1 . . . . . 155 LYS CA . 52151 1 794 . 1 . 1 74 74 LYS CB C 13 32.746 0.3 . 1 . . . . . 155 LYS CB . 52151 1 795 . 1 . 1 74 74 LYS CG C 13 24.539 0.3 . 1 . . . . . 155 LYS CG . 52151 1 796 . 1 . 1 74 74 LYS CD C 13 29.077 0.3 . 1 . . . . . 155 LYS CD . 52151 1 797 . 1 . 1 74 74 LYS CE C 13 41.826 0.3 . 1 . . . . . 155 LYS CE . 52151 1 798 . 1 . 1 74 74 LYS N N 15 117.668 0.3 . 1 . . . . . 155 LYS N . 52151 1 799 . 1 . 1 75 75 MET H H 1 7.356 0.020 . 1 . . . . . 156 MET H . 52151 1 800 . 1 . 1 75 75 MET HA H 1 4.393 0.020 . 1 . . . . . 156 MET HA . 52151 1 801 . 1 . 1 75 75 MET HB2 H 1 2.051 0.020 . 1 . . . . . 156 MET HB2 . 52151 1 802 . 1 . 1 75 75 MET HB3 H 1 2.051 0.020 . 1 . . . . . 156 MET HB3 . 52151 1 803 . 1 . 1 75 75 MET HG2 H 1 2.840 0.020 . 1 . . . . . 156 MET HG2 . 52151 1 804 . 1 . 1 75 75 MET HG3 H 1 2.840 0.020 . 1 . . . . . 156 MET HG3 . 52151 1 805 . 1 . 1 75 75 MET C C 13 178.951 0.3 . 1 . . . . . 156 MET C . 52151 1 806 . 1 . 1 75 75 MET CA C 13 56.318 0.3 . 1 . . . . . 156 MET CA . 52151 1 807 . 1 . 1 75 75 MET CB C 13 31.624 0.3 . 1 . . . . . 156 MET CB . 52151 1 808 . 1 . 1 75 75 MET CG C 13 29.765 0.3 . 1 . . . . . 156 MET CG . 52151 1 809 . 1 . 1 75 75 MET N N 15 122.706 0.3 . 1 . . . . . 156 MET N . 52151 1 810 . 1 . 1 76 76 PRO HA H 1 3.972 0.020 . 1 . . . . . 157 PRO HA . 52151 1 811 . 1 . 1 76 76 PRO HB2 H 1 1.931 0.020 . 1 . . . . . 157 PRO HB2 . 52151 1 812 . 1 . 1 76 76 PRO HB3 H 1 1.931 0.020 . 1 . . . . . 157 PRO HB3 . 52151 1 813 . 1 . 1 76 76 PRO C C 13 175.574 0.3 . 1 . . . . . 157 PRO C . 52151 1 814 . 1 . 1 76 76 PRO CA C 13 62.033 0.3 . 1 . . . . . 157 PRO CA . 52151 1 815 . 1 . 1 76 76 PRO CB C 13 32.419 0.3 . 1 . . . . . 157 PRO CB . 52151 1 816 . 1 . 1 77 77 ARG H H 1 8.354 0.020 . 1 . . . . . 158 ARG H . 52151 1 817 . 1 . 1 77 77 ARG HA H 1 4.230 0.020 . 1 . . . . . 158 ARG HA . 52151 1 818 . 1 . 1 77 77 ARG HB2 H 1 1.588 0.020 . 1 . . . . . 158 ARG HB2 . 52151 1 819 . 1 . 1 77 77 ARG HB3 H 1 1.588 0.020 . 1 . . . . . 158 ARG HB3 . 52151 1 820 . 1 . 1 77 77 ARG C C 13 175.912 0.3 . 1 . . . . . 158 ARG C . 52151 1 821 . 1 . 1 77 77 ARG CA C 13 55.701 0.3 . 1 . . . . . 158 ARG CA . 52151 1 822 . 1 . 1 77 77 ARG CB C 13 32.653 0.3 . 1 . . . . . 158 ARG CB . 52151 1 823 . 1 . 1 77 77 ARG CG C 13 28.743 0.3 . 1 . . . . . 158 ARG CG . 52151 1 824 . 1 . 1 77 77 ARG N N 15 126.973 0.3 . 1 . . . . . 158 ARG N . 52151 1 825 . 1 . 1 78 78 LEU H H 1 8.252 0.020 . 1 . . . . . 159 LEU H . 52151 1 826 . 1 . 1 78 78 LEU HA H 1 4.207 0.020 . 1 . . . . . 159 LEU HA . 52151 1 827 . 1 . 1 78 78 LEU HB2 H 1 1.635 0.020 . 1 . . . . . 159 LEU HB2 . 52151 1 828 . 1 . 1 78 78 LEU HB3 H 1 1.635 0.020 . 1 . . . . . 159 LEU HB3 . 52151 1 829 . 1 . 1 78 78 LEU HG H 1 1.497 0.020 . 1 . . . . . 159 LEU HG . 52151 1 830 . 1 . 1 78 78 LEU HD11 H 1 0.763 0.020 . 2 . . . . . 159 LEU HD1 . 52151 1 831 . 1 . 1 78 78 LEU HD12 H 1 0.763 0.020 . 2 . . . . . 159 LEU HD1 . 52151 1 832 . 1 . 1 78 78 LEU HD13 H 1 0.763 0.020 . 2 . . . . . 159 LEU HD1 . 52151 1 833 . 1 . 1 78 78 LEU HD21 H 1 0.700 0.020 . 2 . . . . . 159 LEU HD2 . 52151 1 834 . 1 . 1 78 78 LEU HD22 H 1 0.700 0.020 . 2 . . . . . 159 LEU HD2 . 52151 1 835 . 1 . 1 78 78 LEU HD23 H 1 0.700 0.020 . 2 . . . . . 159 LEU HD2 . 52151 1 836 . 1 . 1 78 78 LEU C C 13 176.856 0.3 . 1 . . . . . 159 LEU C . 52151 1 837 . 1 . 1 78 78 LEU CA C 13 54.760 0.3 . 1 . . . . . 159 LEU CA . 52151 1 838 . 1 . 1 78 78 LEU CB C 13 42.143 0.3 . 1 . . . . . 159 LEU CB . 52151 1 839 . 1 . 1 78 78 LEU CG C 13 26.890 0.3 . 1 . . . . . 159 LEU CG . 52151 1 840 . 1 . 1 78 78 LEU CD1 C 13 24.629 0.3 . 1 . . . . . 159 LEU CD1 . 52151 1 841 . 1 . 1 78 78 LEU CD2 C 13 23.166 0.3 . 1 . . . . . 159 LEU CD2 . 52151 1 842 . 1 . 1 78 78 LEU N N 15 125.433 0.3 . 1 . . . . . 159 LEU N . 52151 1 843 . 1 . 1 79 79 ASP H H 1 8.129 0.020 . 1 . . . . . 160 ASP H . 52151 1 844 . 1 . 1 79 79 ASP HA H 1 4.802 0.020 . 1 . . . . . 160 ASP HA . 52151 1 845 . 1 . 1 79 79 ASP HB2 H 1 2.391 0.020 . 1 . . . . . 160 ASP HB2 . 52151 1 846 . 1 . 1 79 79 ASP HB3 H 1 2.391 0.020 . 1 . . . . . 160 ASP HB3 . 52151 1 847 . 1 . 1 79 79 ASP C C 13 174.406 0.3 . 1 . . . . . 160 ASP C . 52151 1 848 . 1 . 1 79 79 ASP CA C 13 51.774 0.3 . 1 . . . . . 160 ASP CA . 52151 1 849 . 1 . 1 79 79 ASP CB C 13 41.208 0.3 . 1 . . . . . 160 ASP CB . 52151 1 850 . 1 . 1 79 79 ASP N N 15 122.378 0.3 . 1 . . . . . 160 ASP N . 52151 1 851 . 1 . 1 80 80 PRO HA H 1 4.155 0.020 . 1 . . . . . 161 PRO HA . 52151 1 852 . 1 . 1 80 80 PRO HB2 H 1 2.041 0.020 . 1 . . . . . 161 PRO HB2 . 52151 1 853 . 1 . 1 80 80 PRO HB3 H 1 2.041 0.020 . 1 . . . . . 161 PRO HB3 . 52151 1 854 . 1 . 1 80 80 PRO HG2 H 1 1.796 0.020 . 1 . . . . . 161 PRO HG2 . 52151 1 855 . 1 . 1 80 80 PRO HG3 H 1 1.796 0.020 . 1 . . . . . 161 PRO HG3 . 52151 1 856 . 1 . 1 80 80 PRO HD2 H 1 3.696 0.020 . 1 . . . . . 161 PRO HD2 . 52151 1 857 . 1 . 1 80 80 PRO HD3 H 1 3.696 0.020 . 1 . . . . . 161 PRO HD3 . 52151 1 858 . 1 . 1 80 80 PRO C C 13 176.843 0.3 . 1 . . . . . 161 PRO C . 52151 1 859 . 1 . 1 80 80 PRO CA C 13 63.299 0.3 . 1 . . . . . 161 PRO CA . 52151 1 860 . 1 . 1 80 80 PRO CB C 13 31.858 0.3 . 1 . . . . . 161 PRO CB . 52151 1 861 . 1 . 1 80 80 PRO CG C 13 27.012 0.3 . 1 . . . . . 161 PRO CG . 52151 1 862 . 1 . 1 80 80 PRO CD C 13 50.514 0.3 . 1 . . . . . 161 PRO CD . 52151 1 863 . 1 . 1 81 81 LEU H H 1 8.223 0.020 . 1 . . . . . 162 LEU H . 52151 1 864 . 1 . 1 81 81 LEU HA H 1 4.189 0.020 . 1 . . . . . 162 LEU HA . 52151 1 865 . 1 . 1 81 81 LEU HB2 H 1 1.618 0.020 . 1 . . . . . 162 LEU HB2 . 52151 1 866 . 1 . 1 81 81 LEU HB3 H 1 1.618 0.020 . 1 . . . . . 162 LEU HB3 . 52151 1 867 . 1 . 1 81 81 LEU HG H 1 1.502 0.020 . 1 . . . . . 162 LEU HG . 52151 1 868 . 1 . 1 81 81 LEU HD11 H 1 0.797 0.020 . 2 . . . . . 162 LEU HD1 . 52151 1 869 . 1 . 1 81 81 LEU HD12 H 1 0.797 0.020 . 2 . . . . . 162 LEU HD1 . 52151 1 870 . 1 . 1 81 81 LEU HD13 H 1 0.797 0.020 . 2 . . . . . 162 LEU HD1 . 52151 1 871 . 1 . 1 81 81 LEU HD21 H 1 0.705 0.020 . 2 . . . . . 162 LEU HD2 . 52151 1 872 . 1 . 1 81 81 LEU HD22 H 1 0.705 0.020 . 2 . . . . . 162 LEU HD2 . 52151 1 873 . 1 . 1 81 81 LEU HD23 H 1 0.705 0.020 . 2 . . . . . 162 LEU HD2 . 52151 1 874 . 1 . 1 81 81 LEU C C 13 177.389 0.3 . 1 . . . . . 162 LEU C . 52151 1 875 . 1 . 1 81 81 LEU CA C 13 55.041 0.3 . 1 . . . . . 162 LEU CA . 52151 1 876 . 1 . 1 81 81 LEU CB C 13 41.489 0.3 . 1 . . . . . 162 LEU CB . 52151 1 877 . 1 . 1 81 81 LEU CG C 13 26.866 0.3 . 1 . . . . . 162 LEU CG . 52151 1 878 . 1 . 1 81 81 LEU CD1 C 13 24.721 0.3 . 1 . . . . . 162 LEU CD1 . 52151 1 879 . 1 . 1 81 81 LEU CD2 C 13 23.059 0.3 . 1 . . . . . 162 LEU CD2 . 52151 1 880 . 1 . 1 81 81 LEU N N 15 121.331 0.3 . 1 . . . . . 162 LEU N . 52151 1 881 . 1 . 1 82 82 ARG H H 1 8.124 0.020 . 1 . . . . . 163 ARG H . 52151 1 882 . 1 . 1 82 82 ARG HA H 1 4.260 0.020 . 1 . . . . . 163 ARG HA . 52151 1 883 . 1 . 1 82 82 ARG HB2 H 1 1.698 0.020 . 1 . . . . . 163 ARG HB2 . 52151 1 884 . 1 . 1 82 82 ARG HB3 H 1 1.698 0.020 . 1 . . . . . 163 ARG HB3 . 52151 1 885 . 1 . 1 82 82 ARG HG2 H 1 1.532 0.020 . 1 . . . . . 163 ARG HG2 . 52151 1 886 . 1 . 1 82 82 ARG HG3 H 1 1.532 0.020 . 1 . . . . . 163 ARG HG3 . 52151 1 887 . 1 . 1 82 82 ARG HD2 H 1 3.093 0.020 . 1 . . . . . 163 ARG HD2 . 52151 1 888 . 1 . 1 82 82 ARG HD3 H 1 3.093 0.020 . 1 . . . . . 163 ARG HD3 . 52151 1 889 . 1 . 1 82 82 ARG C C 13 176.457 0.3 . 1 . . . . . 163 ARG C . 52151 1 890 . 1 . 1 82 82 ARG CA C 13 55.872 0.3 . 1 . . . . . 163 ARG CA . 52151 1 891 . 1 . 1 82 82 ARG CB C 13 30.446 0.3 . 1 . . . . . 163 ARG CB . 52151 1 892 . 1 . 1 82 82 ARG CG C 13 26.839 0.3 . 1 . . . . . 163 ARG CG . 52151 1 893 . 1 . 1 82 82 ARG CD C 13 43.014 0.3 . 1 . . . . . 163 ARG CD . 52151 1 894 . 1 . 1 82 82 ARG N N 15 121.979 0.3 . 1 . . . . . 163 ARG N . 52151 1 895 . 1 . 1 83 83 GLY H H 1 8.261 0.020 . 1 . . . . . 164 GLY H . 52151 1 896 . 1 . 1 83 83 GLY HA2 H 1 3.913 0.020 . 2 . . . . . 164 GLY HA2 . 52151 1 897 . 1 . 1 83 83 GLY HA3 H 1 3.913 0.020 . 1 . . . . . 164 GLY HA3 . 52151 1 898 . 1 . 1 83 83 GLY C C 13 173.649 0.3 . 1 . . . . . 164 GLY C . 52151 1 899 . 1 . 1 83 83 GLY CA C 13 45.042 0.3 . 1 . . . . . 164 GLY CA . 52151 1 900 . 1 . 1 83 83 GLY N N 15 110.446 0.3 . 1 . . . . . 164 GLY N . 52151 1 901 . 1 . 1 84 84 GLU H H 1 8.300 0.020 . 1 . . . . . 165 GLU H . 52151 1 902 . 1 . 1 84 84 GLU HA H 1 4.169 0.020 . 1 . . . . . 165 GLU HA . 52151 1 903 . 1 . 1 84 84 GLU HB2 H 1 1.877 0.020 . 1 . . . . . 165 GLU HB2 . 52151 1 904 . 1 . 1 84 84 GLU HB3 H 1 1.877 0.020 . 1 . . . . . 165 GLU HB3 . 52151 1 905 . 1 . 1 84 84 GLU HG2 H 1 2.166 0.020 . 1 . . . . . 165 GLU HG2 . 52151 1 906 . 1 . 1 84 84 GLU HG3 H 1 2.166 0.020 . 1 . . . . . 165 GLU HG3 . 52151 1 907 . 1 . 1 84 84 GLU C C 13 176.182 0.3 . 1 . . . . . 165 GLU C . 52151 1 908 . 1 . 1 84 84 GLU CA C 13 56.366 0.3 . 1 . . . . . 165 GLU CA . 52151 1 909 . 1 . 1 84 84 GLU CB C 13 29.877 0.3 . 1 . . . . . 165 GLU CB . 52151 1 910 . 1 . 1 84 84 GLU CG C 13 36.036 0.3 . 1 . . . . . 165 GLU CG . 52151 1 911 . 1 . 1 84 84 GLU N N 15 121.582 0.3 . 1 . . . . . 165 GLU N . 52151 1 912 . 1 . 1 85 85 GLU H H 1 8.296 0.020 . 1 . . . . . 166 GLU H . 52151 1 913 . 1 . 1 85 85 GLU HA H 1 4.213 0.020 . 1 . . . . . 166 GLU HA . 52151 1 914 . 1 . 1 85 85 GLU HB2 H 1 1.866 0.020 . 1 . . . . . 166 GLU HB2 . 52151 1 915 . 1 . 1 85 85 GLU HB3 H 1 1.866 0.020 . 1 . . . . . 166 GLU HB3 . 52151 1 916 . 1 . 1 85 85 GLU HG2 H 1 2.139 0.020 . 1 . . . . . 166 GLU HG2 . 52151 1 917 . 1 . 1 85 85 GLU HG3 H 1 2.139 0.020 . 1 . . . . . 166 GLU HG3 . 52151 1 918 . 1 . 1 85 85 GLU C C 13 176.180 0.3 . 1 . . . . . 166 GLU C . 52151 1 919 . 1 . 1 85 85 GLU CA C 13 56.308 0.3 . 1 . . . . . 166 GLU CA . 52151 1 920 . 1 . 1 85 85 GLU CB C 13 31.437 0.3 . 1 . . . . . 166 GLU CB . 52151 1 921 . 1 . 1 85 85 GLU CG C 13 36.572 0.3 . 1 . . . . . 166 GLU CG . 52151 1 922 . 1 . 1 85 85 GLU N N 15 123.502 0.3 . 1 . . . . . 166 GLU N . 52151 1 923 . 1 . 1 86 86 LYS H H 1 8.592 0.020 . 1 . . . . . 167 LYS H . 52151 1 924 . 1 . 1 86 86 LYS C C 13 178.053 0.3 . 1 . . . . . 167 LYS C . 52151 1 925 . 1 . 1 86 86 LYS CA C 13 55.678 0.3 . 1 . . . . . 167 LYS CA . 52151 1 926 . 1 . 1 86 86 LYS CB C 13 32.721 0.3 . 1 . . . . . 167 LYS CB . 52151 1 927 . 1 . 1 86 86 LYS N N 15 122.768 0.3 . 1 . . . . . 167 LYS N . 52151 1 928 . 1 . 1 89 89 GLU HG2 H 1 2.219 0.020 . 1 . . . . . 170 GLU HG2 . 52151 1 929 . 1 . 1 89 89 GLU HG3 H 1 2.219 0.020 . 1 . . . . . 170 GLU HG3 . 52151 1 930 . 1 . 1 89 89 GLU C C 13 178.566 0.3 . 1 . . . . . 170 GLU C . 52151 1 931 . 1 . 1 89 89 GLU CA C 13 58.227 0.3 . 1 . . . . . 170 GLU CA . 52151 1 932 . 1 . 1 89 89 GLU CB C 13 29.146 0.3 . 1 . . . . . 170 GLU CB . 52151 1 933 . 1 . 1 89 89 GLU CG C 13 36.557 0.3 . 1 . . . . . 170 GLU CG . 52151 1 934 . 1 . 1 90 90 ILE H H 1 7.658 0.020 . 1 . . . . . 171 ILE H . 52151 1 935 . 1 . 1 90 90 ILE HA H 1 3.522 0.020 . 1 . . . . . 171 ILE HA . 52151 1 936 . 1 . 1 90 90 ILE HB H 1 1.848 0.020 . 1 . . . . . 171 ILE HB . 52151 1 937 . 1 . 1 90 90 ILE HG12 H 1 0.886 0.020 . 1 . . . . . 171 ILE HG12 . 52151 1 938 . 1 . 1 90 90 ILE HG13 H 1 0.886 0.020 . 1 . . . . . 171 ILE HG13 . 52151 1 939 . 1 . 1 90 90 ILE HD11 H 1 0.718 0.020 . 1 . . . . . 171 ILE HD1 . 52151 1 940 . 1 . 1 90 90 ILE HD12 H 1 0.718 0.020 . 1 . . . . . 171 ILE HD1 . 52151 1 941 . 1 . 1 90 90 ILE HD13 H 1 0.718 0.020 . 1 . . . . . 171 ILE HD1 . 52151 1 942 . 1 . 1 90 90 ILE C C 13 177.894 0.3 . 1 . . . . . 171 ILE C . 52151 1 943 . 1 . 1 90 90 ILE CA C 13 65.004 0.3 . 1 . . . . . 171 ILE CA . 52151 1 944 . 1 . 1 90 90 ILE CB C 13 37.795 0.3 . 1 . . . . . 171 ILE CB . 52151 1 945 . 1 . 1 90 90 ILE CG1 C 13 28.156 0.3 . 1 . . . . . 171 ILE CG1 . 52151 1 946 . 1 . 1 90 90 ILE CD1 C 13 13.141 0.3 . 1 . . . . . 171 ILE CD1 . 52151 1 947 . 1 . 1 90 90 ILE N N 15 121.861 0.3 . 1 . . . . . 171 ILE N . 52151 1 948 . 1 . 1 91 91 VAL H H 1 7.876 0.020 . 1 . . . . . 172 VAL H . 52151 1 949 . 1 . 1 91 91 VAL HB H 1 1.510 0.020 . 1 . . . . . 172 VAL HB . 52151 1 950 . 1 . 1 91 91 VAL HG11 H 1 0.767 0.020 . 1 . . . . . 172 VAL HG1 . 52151 1 951 . 1 . 1 91 91 VAL HG12 H 1 0.767 0.020 . 1 . . . . . 172 VAL HG1 . 52151 1 952 . 1 . 1 91 91 VAL HG13 H 1 0.767 0.020 . 1 . . . . . 172 VAL HG1 . 52151 1 953 . 1 . 1 91 91 VAL HG21 H 1 0.767 0.020 . 1 . . . . . 172 VAL HG2 . 52151 1 954 . 1 . 1 91 91 VAL HG22 H 1 0.767 0.020 . 1 . . . . . 172 VAL HG2 . 52151 1 955 . 1 . 1 91 91 VAL HG23 H 1 0.767 0.020 . 1 . . . . . 172 VAL HG2 . 52151 1 956 . 1 . 1 91 91 VAL CA C 13 66.694 0.3 . 1 . . . . . 172 VAL CA . 52151 1 957 . 1 . 1 91 91 VAL CB C 13 37.748 0.3 . 1 . . . . . 172 VAL CB . 52151 1 958 . 1 . 1 91 91 VAL CG1 C 13 21.795 0.3 . 1 . . . . . 172 VAL CG1 . 52151 1 959 . 1 . 1 91 91 VAL CG2 C 13 21.316 0.3 . 1 . . . . . 172 VAL CG2 . 52151 1 960 . 1 . 1 91 91 VAL N N 15 119.517 0.3 . 1 . . . . . 172 VAL N . 52151 1 961 . 1 . 1 93 93 ARG H H 1 7.721 0.020 . 1 . . . . . 174 ARG H . 52151 1 962 . 1 . 1 93 93 ARG HA H 1 3.993 0.020 . 1 . . . . . 174 ARG HA . 52151 1 963 . 1 . 1 93 93 ARG HB2 H 1 1.906 0.020 . 1 . . . . . 174 ARG HB2 . 52151 1 964 . 1 . 1 93 93 ARG HB3 H 1 1.906 0.020 . 1 . . . . . 174 ARG HB3 . 52151 1 965 . 1 . 1 93 93 ARG C C 13 179.616 0.3 . 1 . . . . . 174 ARG C . 52151 1 966 . 1 . 1 93 93 ARG CA C 13 59.161 0.3 . 1 . . . . . 174 ARG CA . 52151 1 967 . 1 . 1 93 93 ARG CB C 13 29.660 0.3 . 1 . . . . . 174 ARG CB . 52151 1 968 . 1 . 1 93 93 ARG CG C 13 27.255 0.3 . 1 . . . . . 174 ARG CG . 52151 1 969 . 1 . 1 93 93 ARG CD C 13 43.229 0.3 . 1 . . . . . 174 ARG CD . 52151 1 970 . 1 . 1 93 93 ARG N N 15 119.396 0.3 . 1 . . . . . 174 ARG N . 52151 1 971 . 1 . 1 94 94 VAL H H 1 7.945 0.020 . 1 . . . . . 175 VAL H . 52151 1 972 . 1 . 1 94 94 VAL HA H 1 3.531 0.020 . 1 . . . . . 175 VAL HA . 52151 1 973 . 1 . 1 94 94 VAL HB H 1 2.118 0.020 . 1 . . . . . 175 VAL HB . 52151 1 974 . 1 . 1 94 94 VAL HG11 H 1 1.018 0.020 . 2 . . . . . 175 VAL HG1 . 52151 1 975 . 1 . 1 94 94 VAL HG12 H 1 1.018 0.020 . 2 . . . . . 175 VAL HG1 . 52151 1 976 . 1 . 1 94 94 VAL HG13 H 1 1.018 0.020 . 2 . . . . . 175 VAL HG1 . 52151 1 977 . 1 . 1 94 94 VAL HG21 H 1 0.931 0.020 . 2 . . . . . 175 VAL HG2 . 52151 1 978 . 1 . 1 94 94 VAL HG22 H 1 0.931 0.020 . 2 . . . . . 175 VAL HG2 . 52151 1 979 . 1 . 1 94 94 VAL HG23 H 1 0.931 0.020 . 2 . . . . . 175 VAL HG2 . 52151 1 980 . 1 . 1 94 94 VAL C C 13 178.156 0.3 . 1 . . . . . 175 VAL C . 52151 1 981 . 1 . 1 94 94 VAL CA C 13 66.313 0.3 . 1 . . . . . 175 VAL CA . 52151 1 982 . 1 . 1 94 94 VAL CB C 13 31.764 0.3 . 1 . . . . . 175 VAL CB . 52151 1 983 . 1 . 1 94 94 VAL CG1 C 13 21.780 0.3 . 1 . . . . . 175 VAL CG1 . 52151 1 984 . 1 . 1 94 94 VAL CG2 C 13 22.081 0.3 . 1 . . . . . 175 VAL CG2 . 52151 1 985 . 1 . 1 94 94 VAL N N 15 122.644 0.3 . 1 . . . . . 175 VAL N . 52151 1 986 . 1 . 1 95 95 LEU H H 1 8.239 0.020 . 1 . . . . . 176 LEU H . 52151 1 987 . 1 . 1 95 95 LEU HA H 1 4.020 0.020 . 1 . . . . . 176 LEU HA . 52151 1 988 . 1 . 1 95 95 LEU HB2 H 1 1.742 0.020 . 1 . . . . . 176 LEU HB2 . 52151 1 989 . 1 . 1 95 95 LEU HB3 H 1 1.742 0.020 . 1 . . . . . 176 LEU HB3 . 52151 1 990 . 1 . 1 95 95 LEU HG H 1 1.317 0.020 . 1 . . . . . 176 LEU HG . 52151 1 991 . 1 . 1 95 95 LEU HD11 H 1 0.960 0.020 . 2 . . . . . 176 LEU HD1 . 52151 1 992 . 1 . 1 95 95 LEU HD12 H 1 0.960 0.020 . 2 . . . . . 176 LEU HD1 . 52151 1 993 . 1 . 1 95 95 LEU HD13 H 1 0.960 0.020 . 2 . . . . . 176 LEU HD1 . 52151 1 994 . 1 . 1 95 95 LEU HD21 H 1 0.622 0.020 . 2 . . . . . 176 LEU HD2 . 52151 1 995 . 1 . 1 95 95 LEU HD22 H 1 0.622 0.020 . 2 . . . . . 176 LEU HD2 . 52151 1 996 . 1 . 1 95 95 LEU HD23 H 1 0.622 0.020 . 2 . . . . . 176 LEU HD2 . 52151 1 997 . 1 . 1 95 95 LEU C C 13 172.704 0.3 . 1 . . . . . 176 LEU C . 52151 1 998 . 1 . 1 95 95 LEU CA C 13 56.889 0.3 . 1 . . . . . 176 LEU CA . 52151 1 999 . 1 . 1 95 95 LEU CB C 13 40.968 0.3 . 1 . . . . . 176 LEU CB . 52151 1 1000 . 1 . 1 95 95 LEU CG C 13 25.849 0.3 . 1 . . . . . 176 LEU CG . 52151 1 1001 . 1 . 1 95 95 LEU CD1 C 13 22.257 0.3 . 1 . . . . . 176 LEU CD1 . 52151 1 1002 . 1 . 1 95 95 LEU CD2 C 13 21.560 0.3 . 1 . . . . . 176 LEU CD2 . 52151 1 1003 . 1 . 1 95 95 LEU N N 15 117.893 0.3 . 1 . . . . . 176 LEU N . 52151 1 1004 . 1 . 1 96 96 SER H H 1 7.997 0.020 . 1 . . . . . 177 SER H . 52151 1 1005 . 1 . 1 96 96 SER HA H 1 4.500 0.020 . 1 . . . . . 177 SER HA . 52151 1 1006 . 1 . 1 96 96 SER C C 13 177.604 0.3 . 1 . . . . . 177 SER C . 52151 1 1007 . 1 . 1 96 96 SER CA C 13 61.031 0.3 . 1 . . . . . 177 SER CA . 52151 1 1008 . 1 . 1 96 96 SER CB C 13 62.854 0.3 . 1 . . . . . 177 SER CB . 52151 1 1009 . 1 . 1 96 96 SER N N 15 114.161 0.3 . 1 . . . . . 177 SER N . 52151 1 1010 . 1 . 1 97 97 ARG H H 1 7.273 0.020 . 1 . . . . . 178 ARG H . 52151 1 1011 . 1 . 1 97 97 ARG HA H 1 4.049 0.020 . 1 . . . . . 178 ARG HA . 52151 1 1012 . 1 . 1 97 97 ARG HB2 H 1 1.655 0.020 . 1 . . . . . 178 ARG HB2 . 52151 1 1013 . 1 . 1 97 97 ARG HB3 H 1 1.655 0.020 . 1 . . . . . 178 ARG HB3 . 52151 1 1014 . 1 . 1 97 97 ARG HG2 H 1 1.520 0.020 . 1 . . . . . 178 ARG HG2 . 52151 1 1015 . 1 . 1 97 97 ARG HG3 H 1 1.520 0.020 . 1 . . . . . 178 ARG HG3 . 52151 1 1016 . 1 . 1 97 97 ARG HD2 H 1 2.929 0.020 . 1 . . . . . 178 ARG HD2 . 52151 1 1017 . 1 . 1 97 97 ARG HD3 H 1 2.929 0.020 . 1 . . . . . 178 ARG HD3 . 52151 1 1018 . 1 . 1 97 97 ARG C C 13 176.575 0.3 . 1 . . . . . 178 ARG C . 52151 1 1019 . 1 . 1 97 97 ARG CA C 13 57.057 0.3 . 1 . . . . . 178 ARG CA . 52151 1 1020 . 1 . 1 97 97 ARG CB C 13 29.473 0.3 . 1 . . . . . 178 ARG CB . 52151 1 1021 . 1 . 1 97 97 ARG CG C 13 26.598 0.3 . 1 . . . . . 178 ARG CG . 52151 1 1022 . 1 . 1 97 97 ARG CD C 13 43.221 0.3 . 1 . . . . . 178 ARG CD . 52151 1 1023 . 1 . 1 97 97 ARG N N 15 120.674 0.3 . 1 . . . . . 178 ARG N . 52151 1 1024 . 1 . 1 98 98 PHE H H 1 7.752 0.020 . 1 . . . . . 179 PHE H . 52151 1 1025 . 1 . 1 98 98 PHE HA H 1 4.496 0.020 . 1 . . . . . 179 PHE HA . 52151 1 1026 . 1 . 1 98 98 PHE HB2 H 1 2.881 0.020 . 1 . . . . . 179 PHE HB2 . 52151 1 1027 . 1 . 1 98 98 PHE HB3 H 1 2.881 0.020 . 1 . . . . . 179 PHE HB3 . 52151 1 1028 . 1 . 1 98 98 PHE C C 13 174.789 0.3 . 1 . . . . . 179 PHE C . 52151 1 1029 . 1 . 1 98 98 PHE CA C 13 57.431 0.3 . 1 . . . . . 179 PHE CA . 52151 1 1030 . 1 . 1 98 98 PHE CB C 13 38.964 0.3 . 1 . . . . . 179 PHE CB . 52151 1 1031 . 1 . 1 98 98 PHE N N 15 118.919 0.3 . 1 . . . . . 179 PHE N . 52151 1 1032 . 1 . 1 99 99 ARG H H 1 7.386 0.020 . 1 . . . . . 180 ARG H . 52151 1 1033 . 1 . 1 99 99 ARG HA H 1 4.357 0.020 . 1 . . . . . 180 ARG HA . 52151 1 1034 . 1 . 1 99 99 ARG HB2 H 1 1.744 0.020 . 1 . . . . . 180 ARG HB2 . 52151 1 1035 . 1 . 1 99 99 ARG HB3 H 1 1.744 0.020 . 1 . . . . . 180 ARG HB3 . 52151 1 1036 . 1 . 1 99 99 ARG HG2 H 1 1.591 0.020 . 1 . . . . . 180 ARG HG2 . 52151 1 1037 . 1 . 1 99 99 ARG HG3 H 1 1.591 0.020 . 1 . . . . . 180 ARG HG3 . 52151 1 1038 . 1 . 1 99 99 ARG C C 13 173.658 0.3 . 1 . . . . . 180 ARG C . 52151 1 1039 . 1 . 1 99 99 ARG CA C 13 54.112 0.3 . 1 . . . . . 180 ARG CA . 52151 1 1040 . 1 . 1 99 99 ARG CB C 13 30.102 0.3 . 1 . . . . . 180 ARG CB . 52151 1 1041 . 1 . 1 99 99 ARG CG C 13 26.494 0.3 . 1 . . . . . 180 ARG CG . 52151 1 1042 . 1 . 1 99 99 ARG N N 15 123.227 0.3 . 1 . . . . . 180 ARG N . 52151 1 stop_ save_