data_34080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34080 _Entry.Title ; hnRNP A1 RRM2 in complex with 5'-UCAGUU-3' RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-16 _Entry.Accession_date 2016-12-16 _Entry.Last_release_date 2016-12-19 _Entry.Original_release_date 2016-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Barraud P. . . . 34080 2 F. Allain F. H.-T. . . 34080 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 34080 RRM . 34080 hnRNP . 34080 splicing . 34080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 34080 '15N chemical shifts' 92 34080 '1H chemical shifts' 654 34080 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 2 . . 2017-07-05 2016-12-16 update author 'update entry citation' 34080 1 . . 2017-06-30 2016-12-16 original author 'original release' 34080 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MPL 'BMRB Entry Tracking System' 34080 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28650318 _Citation.Full_citation . _Citation.Title ; Tandem hnRNP A1 RNA recognition motifs act in concert to repress the splicing of survival motor neuron exon 7 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD 0353 _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 e25736 _Citation.Page_last e25736 _Citation.Year 2017 _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 Irene Beusch I. . . . 34080 1 2 Pierre Barraud P. . . . 34080 1 3 Ahmed Moursy A. . . . 34080 1 4 Antoine Clery A. . . . 34080 1 5 'Frederic Hai-Trieu' Allain F. H. . . 34080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34080 _Assembly.ID 1 _Assembly.Name "hnRNP A1 RRM2 in complex with 5'-UCAGUU-3' RNA" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34080 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Heterogeneous nuclear ribonucleoprotein A1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQRPGAHLTVKKIFVGGIKE DTEEHHLRDYFEQYGKIEVI EIMTDRGSGKKRGFAFVTFD DHDSVDKIVIQKYHTVNGHN CEVRKALSKQEMASASSSQR GR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11630.084 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Helix-destabilizing protein' na 34080 1 'Single-strand RNA-binding protein' na 34080 1 'hnRNP A1' na 34080 1 'hnRNP core protein A1' na 34080 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 95 SER . 34080 1 2 96 GLN . 34080 1 3 97 ARG . 34080 1 4 98 PRO . 34080 1 5 99 GLY . 34080 1 6 100 ALA . 34080 1 7 101 HIS . 34080 1 8 102 LEU . 34080 1 9 103 THR . 34080 1 10 104 VAL . 34080 1 11 105 LYS . 34080 1 12 106 LYS . 34080 1 13 107 ILE . 34080 1 14 108 PHE . 34080 1 15 109 VAL . 34080 1 16 110 GLY . 34080 1 17 111 GLY . 34080 1 18 112 ILE . 34080 1 19 113 LYS . 34080 1 20 114 GLU . 34080 1 21 115 ASP . 34080 1 22 116 THR . 34080 1 23 117 GLU . 34080 1 24 118 GLU . 34080 1 25 119 HIS . 34080 1 26 120 HIS . 34080 1 27 121 LEU . 34080 1 28 122 ARG . 34080 1 29 123 ASP . 34080 1 30 124 TYR . 34080 1 31 125 PHE . 34080 1 32 126 GLU . 34080 1 33 127 GLN . 34080 1 34 128 TYR . 34080 1 35 129 GLY . 34080 1 36 130 LYS . 34080 1 37 131 ILE . 34080 1 38 132 GLU . 34080 1 39 133 VAL . 34080 1 40 134 ILE . 34080 1 41 135 GLU . 34080 1 42 136 ILE . 34080 1 43 137 MET . 34080 1 44 138 THR . 34080 1 45 139 ASP . 34080 1 46 140 ARG . 34080 1 47 141 GLY . 34080 1 48 142 SER . 34080 1 49 143 GLY . 34080 1 50 144 LYS . 34080 1 51 145 LYS . 34080 1 52 146 ARG . 34080 1 53 147 GLY . 34080 1 54 148 PHE . 34080 1 55 149 ALA . 34080 1 56 150 PHE . 34080 1 57 151 VAL . 34080 1 58 152 THR . 34080 1 59 153 PHE . 34080 1 60 154 ASP . 34080 1 61 155 ASP . 34080 1 62 156 HIS . 34080 1 63 157 ASP . 34080 1 64 158 SER . 34080 1 65 159 VAL . 34080 1 66 160 ASP . 34080 1 67 161 LYS . 34080 1 68 162 ILE . 34080 1 69 163 VAL . 34080 1 70 164 ILE . 34080 1 71 165 GLN . 34080 1 72 166 LYS . 34080 1 73 167 TYR . 34080 1 74 168 HIS . 34080 1 75 169 THR . 34080 1 76 170 VAL . 34080 1 77 171 ASN . 34080 1 78 172 GLY . 34080 1 79 173 HIS . 34080 1 80 174 ASN . 34080 1 81 175 CYS . 34080 1 82 176 GLU . 34080 1 83 177 VAL . 34080 1 84 178 ARG . 34080 1 85 179 LYS . 34080 1 86 180 ALA . 34080 1 87 181 LEU . 34080 1 88 182 SER . 34080 1 89 183 LYS . 34080 1 90 184 GLN . 34080 1 91 185 GLU . 34080 1 92 186 MET . 34080 1 93 187 ALA . 34080 1 94 188 SER . 34080 1 95 189 ALA . 34080 1 96 190 SER . 34080 1 97 191 SER . 34080 1 98 192 SER . 34080 1 99 193 GLN . 34080 1 100 194 ARG . 34080 1 101 195 GLY . 34080 1 102 196 ARG . 34080 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 . SER 1 1 34080 1 . GLN 2 2 34080 1 . ARG 3 3 34080 1 . PRO 4 4 34080 1 . GLY 5 5 34080 1 . ALA 6 6 34080 1 . HIS 7 7 34080 1 . LEU 8 8 34080 1 . THR 9 9 34080 1 . VAL 10 10 34080 1 . LYS 11 11 34080 1 . LYS 12 12 34080 1 . ILE 13 13 34080 1 . PHE 14 14 34080 1 . VAL 15 15 34080 1 . GLY 16 16 34080 1 . GLY 17 17 34080 1 . ILE 18 18 34080 1 . LYS 19 19 34080 1 . GLU 20 20 34080 1 . ASP 21 21 34080 1 . THR 22 22 34080 1 . GLU 23 23 34080 1 . GLU 24 24 34080 1 . HIS 25 25 34080 1 . HIS 26 26 34080 1 . LEU 27 27 34080 1 . ARG 28 28 34080 1 . ASP 29 29 34080 1 . TYR 30 30 34080 1 . PHE 31 31 34080 1 . GLU 32 32 34080 1 . GLN 33 33 34080 1 . TYR 34 34 34080 1 . GLY 35 35 34080 1 . LYS 36 36 34080 1 . ILE 37 37 34080 1 . GLU 38 38 34080 1 . VAL 39 39 34080 1 . ILE 40 40 34080 1 . GLU 41 41 34080 1 . ILE 42 42 34080 1 . MET 43 43 34080 1 . THR 44 44 34080 1 . ASP 45 45 34080 1 . ARG 46 46 34080 1 . GLY 47 47 34080 1 . SER 48 48 34080 1 . GLY 49 49 34080 1 . LYS 50 50 34080 1 . LYS 51 51 34080 1 . ARG 52 52 34080 1 . GLY 53 53 34080 1 . PHE 54 54 34080 1 . ALA 55 55 34080 1 . PHE 56 56 34080 1 . VAL 57 57 34080 1 . THR 58 58 34080 1 . PHE 59 59 34080 1 . ASP 60 60 34080 1 . ASP 61 61 34080 1 . HIS 62 62 34080 1 . ASP 63 63 34080 1 . SER 64 64 34080 1 . VAL 65 65 34080 1 . ASP 66 66 34080 1 . LYS 67 67 34080 1 . ILE 68 68 34080 1 . VAL 69 69 34080 1 . ILE 70 70 34080 1 . GLN 71 71 34080 1 . LYS 72 72 34080 1 . TYR 73 73 34080 1 . HIS 74 74 34080 1 . THR 75 75 34080 1 . VAL 76 76 34080 1 . ASN 77 77 34080 1 . GLY 78 78 34080 1 . HIS 79 79 34080 1 . ASN 80 80 34080 1 . CYS 81 81 34080 1 . GLU 82 82 34080 1 . VAL 83 83 34080 1 . ARG 84 84 34080 1 . LYS 85 85 34080 1 . ALA 86 86 34080 1 . LEU 87 87 34080 1 . SER 88 88 34080 1 . LYS 89 89 34080 1 . GLN 90 90 34080 1 . GLU 91 91 34080 1 . MET 92 92 34080 1 . ALA 93 93 34080 1 . SER 94 94 34080 1 . ALA 95 95 34080 1 . SER 96 96 34080 1 . SER 97 97 34080 1 . SER 98 98 34080 1 . GLN 99 99 34080 1 . ARG 100 100 34080 1 . GLY 101 101 34080 1 . ARG 102 102 34080 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34080 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RNA UCAGUU' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UCAGUU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1853.133 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 U . 34080 2 2 2 C . 34080 2 3 3 A . 34080 2 4 4 G . 34080 2 5 5 U . 34080 2 6 6 U . 34080 2 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 . U 1 1 34080 2 . C 2 2 34080 2 . A 3 3 34080 2 . G 4 4 34080 2 . U 5 5 34080 2 . U 6 6 34080 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34080 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'HNRNPA1, HNRPA1' . 34080 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazia Homo sapiens . . . . . . . . . . . . . 34080 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34080 _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' . . 562 Escherichia coli . . . . . . . . . . 34080 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 15N] hnRNP A1 RRM2, 1.0 g/L RNA UCAGUU, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA UCAGUU' 'natural abundance' 1 $assembly 2 $entity_2 . . 1.0 . . g/L . . . . 34080 1 2 'hnRNP A1 RRM2' '[U-99% 15N]' 1 $assembly 1 $entity_1 . . 1.0 . . mM . . . . 34080 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34080 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34080 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34080 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 13C; U-99% 15N] hnRNP A1 RRM2, 1.0 mM RNA UCAGUU, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA UCAGUU' 'natural abundance' 1 $assembly 2 $entity_2 . . 1.0 . . mM . . . . 34080 2 2 'hnRNP A1 RRM2' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 1.0 . . mM . . . . 34080 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34080 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34080 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34080 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 15N] hnRNP A1 RRM2, 1.0 mM RNA UCAGUU, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'RNA UCAGUU' 'natural abundance' 1 $assembly 2 $entity_2 . . 1.0 . . mM . . . . 34080 3 2 'hnRNP A1 RRM2' '[U-99% 15N]' 1 $assembly 1 $entity_1 . . 1.0 . . mM . . . . 34080 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 34080 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34080 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-99% 13C; U-99% 15N] hnRNP A1 RRM2, 1.0 mM RNA UCAGUU, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'RNA UCAGUU' 'natural abundance' 1 $assembly 2 $entity_2 . . 1.0 . . mM . . . . 34080 4 2 'hnRNP A1 RRM2' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 1.0 . . mM . . . . 34080 4 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 34080 4 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 34080 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 34080 1 pH 6.5 . pH 34080 1 pressure 1 . atm 34080 1 temperature 303 . K 34080 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34080 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34080 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34080 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34080 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34080 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 34080 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34080 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34080 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34080 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34080 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34080 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34080 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34080 5 processing 34080 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 34080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34080 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34080 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34080 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 34080 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34080 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 500 . . . 34080 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 34080 1 3 NMR_spectrometer_3 Bruker AvanceIII . 750 . . . 34080 1 4 NMR_spectrometer_4 Bruker AvanceIII . 700 . . . 34080 1 5 NMR_spectrometer_5 Bruker Avance . 900 . . . 34080 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34080 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34080 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34080 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34080 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34080 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34080 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34080 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34080 1 8 '3D HCc(CO)NH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34080 1 9 '3D hCC(CO)NH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34080 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34080 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34080 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34080 1 13 '3D F1eF3f 13C-filtered/edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34080 1 14 '2D F1fF2f 13C-filtered NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34080 1 15 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34080 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 34080 1 stop_ 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 34080 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.000 internal indirect 0.25144953 . . . . . 34080 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34080 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34080 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 34080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '2D 1H-15N HSQC' . . . 34080 1 2 '2D 1H-13C HSQC aliphatic' . . . 34080 1 3 '2D 1H-13C HSQC aromatic' . . . 34080 1 4 '3D HNCA' . . . 34080 1 5 '3D HNCACB' . . . 34080 1 6 '3D CBCA(CO)NH' . . . 34080 1 7 '3D HNCO' . . . 34080 1 8 '3D HCc(CO)NH TOCSY' . . . 34080 1 9 '3D hCC(CO)NH TOCSY' . . . 34080 1 10 '3D 1H-15N NOESY' . . . 34080 1 11 '3D 1H-13C NOESY aliphatic' . . . 34080 1 12 '3D 1H-13C NOESY aromatic' . . . 34080 1 13 '3D F1eF3f 13C-filtered/edited NOESY' . . . 34080 1 14 '2D F1fF2f 13C-filtered NOESY' . . . 34080 1 15 '2D 1H-1H TOCSY' . . . 34080 1 16 '2D 1H-1H NOESY' . . . 34080 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PRO HA H 1 4.396 0.020 . 1 . . . A 98 PRO HA . 34080 1 2 . 1 1 4 4 PRO HB2 H 1 1.888 0.020 . 2 . . . A 98 PRO HB2 . 34080 1 3 . 1 1 4 4 PRO HB3 H 1 2.269 0.020 . 2 . . . A 98 PRO HB3 . 34080 1 4 . 1 1 4 4 PRO HG2 H 1 1.912 0.020 . 2 . . . A 98 PRO HG2 . 34080 1 5 . 1 1 4 4 PRO HG3 H 1 1.992 0.020 . 2 . . . A 98 PRO HG3 . 34080 1 6 . 1 1 4 4 PRO HD2 H 1 3.604 0.020 . 2 . . . A 98 PRO HD2 . 34080 1 7 . 1 1 4 4 PRO HD3 H 1 3.782 0.020 . 2 . . . A 98 PRO HD3 . 34080 1 8 . 1 1 4 4 PRO CA C 13 63.441 0.300 . 1 . . . A 98 PRO CA . 34080 1 9 . 1 1 4 4 PRO CB C 13 31.983 0.300 . 1 . . . A 98 PRO CB . 34080 1 10 . 1 1 4 4 PRO CG C 13 27.409 0.300 . 1 . . . A 98 PRO CG . 34080 1 11 . 1 1 4 4 PRO CD C 13 50.626 0.300 . 1 . . . A 98 PRO CD . 34080 1 12 . 1 1 5 5 GLY H H 1 8.498 0.020 . 1 . . . A 99 GLY H . 34080 1 13 . 1 1 5 5 GLY HA2 H 1 3.872 0.020 . 2 . . . A 99 GLY HA2 . 34080 1 14 . 1 1 5 5 GLY HA3 H 1 3.966 0.020 . 2 . . . A 99 GLY HA3 . 34080 1 15 . 1 1 5 5 GLY CA C 13 45.203 0.300 . 1 . . . A 99 GLY CA . 34080 1 16 . 1 1 5 5 GLY N N 15 109.575 0.300 . 1 . . . A 99 GLY N . 34080 1 17 . 1 1 6 6 ALA H H 1 8.018 0.020 . 1 . . . A 100 ALA H . 34080 1 18 . 1 1 6 6 ALA HA H 1 4.199 0.020 . 1 . . . A 100 ALA HA . 34080 1 19 . 1 1 6 6 ALA HB1 H 1 1.321 0.020 . 1 . . . A 100 ALA HB1 . 34080 1 20 . 1 1 6 6 ALA HB2 H 1 1.321 0.020 . 1 . . . A 100 ALA HB2 . 34080 1 21 . 1 1 6 6 ALA HB3 H 1 1.321 0.020 . 1 . . . A 100 ALA HB3 . 34080 1 22 . 1 1 6 6 ALA CA C 13 52.798 0.300 . 1 . . . A 100 ALA CA . 34080 1 23 . 1 1 6 6 ALA CB C 13 19.172 0.300 . 1 . . . A 100 ALA CB . 34080 1 24 . 1 1 6 6 ALA N N 15 123.330 0.300 . 1 . . . A 100 ALA N . 34080 1 25 . 1 1 7 7 HIS HA H 1 4.593 0.020 . 1 . . . A 101 HIS HA . 34080 1 26 . 1 1 7 7 HIS HB2 H 1 3.119 0.020 . 2 . . . A 101 HIS HB2 . 34080 1 27 . 1 1 7 7 HIS HB3 H 1 3.119 0.020 . 2 . . . A 101 HIS HB3 . 34080 1 28 . 1 1 7 7 HIS HD2 H 1 6.998 0.020 . 1 . . . A 101 HIS HD2 . 34080 1 29 . 1 1 7 7 HIS HE1 H 1 7.914 0.020 . 1 . . . A 101 HIS HE1 . 34080 1 30 . 1 1 7 7 HIS CA C 13 56.340 0.300 . 1 . . . A 101 HIS CA . 34080 1 31 . 1 1 7 7 HIS CB C 13 30.471 0.300 . 1 . . . A 101 HIS CB . 34080 1 32 . 1 1 7 7 HIS CD2 C 13 119.591 0.300 . 1 . . . A 101 HIS CD2 . 34080 1 33 . 1 1 7 7 HIS CE1 C 13 137.958 0.300 . 1 . . . A 101 HIS CE1 . 34080 1 34 . 1 1 8 8 LEU H H 1 7.954 0.020 . 1 . . . A 102 LEU H . 34080 1 35 . 1 1 8 8 LEU HA H 1 4.328 0.020 . 1 . . . A 102 LEU HA . 34080 1 36 . 1 1 8 8 LEU HB2 H 1 1.513 0.020 . 1 . . . A 102 LEU HB2 . 34080 1 37 . 1 1 8 8 LEU HB3 H 1 1.568 0.020 . 1 . . . A 102 LEU HB3 . 34080 1 38 . 1 1 8 8 LEU HG H 1 1.331 0.020 . 1 . . . A 102 LEU HG . 34080 1 39 . 1 1 8 8 LEU HD11 H 1 0.855 0.020 . 2 . . . A 102 LEU HD11 . 34080 1 40 . 1 1 8 8 LEU HD12 H 1 0.855 0.020 . 2 . . . A 102 LEU HD12 . 34080 1 41 . 1 1 8 8 LEU HD13 H 1 0.855 0.020 . 2 . . . A 102 LEU HD13 . 34080 1 42 . 1 1 8 8 LEU HD21 H 1 0.795 0.020 . 2 . . . A 102 LEU HD21 . 34080 1 43 . 1 1 8 8 LEU HD22 H 1 0.795 0.020 . 2 . . . A 102 LEU HD22 . 34080 1 44 . 1 1 8 8 LEU HD23 H 1 0.795 0.020 . 2 . . . A 102 LEU HD23 . 34080 1 45 . 1 1 8 8 LEU CA C 13 55.034 0.300 . 1 . . . A 102 LEU CA . 34080 1 46 . 1 1 8 8 LEU CB C 13 42.377 0.300 . 1 . . . A 102 LEU CB . 34080 1 47 . 1 1 8 8 LEU CG C 13 26.858 0.300 . 1 . . . A 102 LEU CG . 34080 1 48 . 1 1 8 8 LEU CD1 C 13 24.823 0.300 . 1 . . . A 102 LEU CD1 . 34080 1 49 . 1 1 8 8 LEU CD2 C 13 23.469 0.300 . 1 . . . A 102 LEU CD2 . 34080 1 50 . 1 1 8 8 LEU N N 15 123.108 0.300 . 1 . . . A 102 LEU N . 34080 1 51 . 1 1 9 9 THR H H 1 8.098 0.020 . 1 . . . A 103 THR H . 34080 1 52 . 1 1 9 9 THR HB H 1 3.970 0.020 . 1 . . . A 103 THR HB . 34080 1 53 . 1 1 9 9 THR HG21 H 1 0.883 0.020 . 1 . . . A 103 THR HG21 . 34080 1 54 . 1 1 9 9 THR HG22 H 1 0.883 0.020 . 1 . . . A 103 THR HG22 . 34080 1 55 . 1 1 9 9 THR HG23 H 1 0.883 0.020 . 1 . . . A 103 THR HG23 . 34080 1 56 . 1 1 9 9 THR CB C 13 69.397 0.300 . 1 . . . A 103 THR CB . 34080 1 57 . 1 1 9 9 THR CG2 C 13 21.434 0.300 . 1 . . . A 103 THR CG2 . 34080 1 58 . 1 1 9 9 THR N N 15 115.623 0.300 . 1 . . . A 103 THR N . 34080 1 59 . 1 1 10 10 VAL H H 1 8.187 0.020 . 1 . . . A 104 VAL H . 34080 1 60 . 1 1 10 10 VAL HA H 1 4.383 0.020 . 1 . . . A 104 VAL HA . 34080 1 61 . 1 1 10 10 VAL HB H 1 2.236 0.020 . 1 . . . A 104 VAL HB . 34080 1 62 . 1 1 10 10 VAL HG11 H 1 1.108 0.020 . 2 . . . A 104 VAL HG11 . 34080 1 63 . 1 1 10 10 VAL HG12 H 1 1.108 0.020 . 2 . . . A 104 VAL HG12 . 34080 1 64 . 1 1 10 10 VAL HG13 H 1 1.108 0.020 . 2 . . . A 104 VAL HG13 . 34080 1 65 . 1 1 10 10 VAL HG21 H 1 1.210 0.020 . 2 . . . A 104 VAL HG21 . 34080 1 66 . 1 1 10 10 VAL HG22 H 1 1.210 0.020 . 2 . . . A 104 VAL HG22 . 34080 1 67 . 1 1 10 10 VAL HG23 H 1 1.210 0.020 . 2 . . . A 104 VAL HG23 . 34080 1 68 . 1 1 10 10 VAL CA C 13 61.981 0.300 . 1 . . . A 104 VAL CA . 34080 1 69 . 1 1 10 10 VAL CB C 13 34.088 0.300 . 1 . . . A 104 VAL CB . 34080 1 70 . 1 1 10 10 VAL CG1 C 13 20.937 0.300 . 1 . . . A 104 VAL CG1 . 34080 1 71 . 1 1 10 10 VAL CG2 C 13 22.133 0.300 . 1 . . . A 104 VAL CG2 . 34080 1 72 . 1 1 10 10 VAL N N 15 121.708 0.300 . 1 . . . A 104 VAL N . 34080 1 73 . 1 1 11 11 LYS H H 1 8.737 0.020 . 1 . . . A 105 LYS H . 34080 1 74 . 1 1 11 11 LYS HB2 H 1 2.287 0.020 . 2 . . . A 105 LYS HB2 . 34080 1 75 . 1 1 11 11 LYS HB3 H 1 2.287 0.020 . 2 . . . A 105 LYS HB3 . 34080 1 76 . 1 1 11 11 LYS HG2 H 1 1.462 0.020 . 1 . . . A 105 LYS HG2 . 34080 1 77 . 1 1 11 11 LYS HG3 H 1 1.130 0.020 . 1 . . . A 105 LYS HG3 . 34080 1 78 . 1 1 11 11 LYS HE2 H 1 2.983 0.020 . 2 . . . A 105 LYS HE2 . 34080 1 79 . 1 1 11 11 LYS HE3 H 1 2.983 0.020 . 2 . . . A 105 LYS HE3 . 34080 1 80 . 1 1 11 11 LYS CB C 13 32.951 0.300 . 1 . . . A 105 LYS CB . 34080 1 81 . 1 1 11 11 LYS CG C 13 25.487 0.300 . 1 . . . A 105 LYS CG . 34080 1 82 . 1 1 11 11 LYS CE C 13 42.070 0.300 . 1 . . . A 105 LYS CE . 34080 1 83 . 1 1 11 11 LYS N N 15 121.749 0.300 . 1 . . . A 105 LYS N . 34080 1 84 . 1 1 12 12 LYS H H 1 7.280 0.020 . 1 . . . A 106 LYS H . 34080 1 85 . 1 1 12 12 LYS HA H 1 5.665 0.020 . 1 . . . A 106 LYS HA . 34080 1 86 . 1 1 12 12 LYS HB2 H 1 1.849 0.020 . 1 . . . A 106 LYS HB2 . 34080 1 87 . 1 1 12 12 LYS HB3 H 1 1.646 0.020 . 1 . . . A 106 LYS HB3 . 34080 1 88 . 1 1 12 12 LYS HG2 H 1 1.524 0.020 . 1 . . . A 106 LYS HG2 . 34080 1 89 . 1 1 12 12 LYS HG3 H 1 1.137 0.020 . 1 . . . A 106 LYS HG3 . 34080 1 90 . 1 1 12 12 LYS HD2 H 1 1.489 0.020 . 1 . . . A 106 LYS HD2 . 34080 1 91 . 1 1 12 12 LYS HD3 H 1 1.511 0.020 . 1 . . . A 106 LYS HD3 . 34080 1 92 . 1 1 12 12 LYS HE2 H 1 2.582 0.020 . 2 . . . A 106 LYS HE2 . 34080 1 93 . 1 1 12 12 LYS HE3 H 1 2.582 0.020 . 2 . . . A 106 LYS HE3 . 34080 1 94 . 1 1 12 12 LYS CA C 13 54.405 0.300 . 1 . . . A 106 LYS CA . 34080 1 95 . 1 1 12 12 LYS CB C 13 37.921 0.300 . 1 . . . A 106 LYS CB . 34080 1 96 . 1 1 12 12 LYS CG C 13 24.794 0.300 . 1 . . . A 106 LYS CG . 34080 1 97 . 1 1 12 12 LYS CD C 13 30.155 0.300 . 1 . . . A 106 LYS CD . 34080 1 98 . 1 1 12 12 LYS CE C 13 41.038 0.300 . 1 . . . A 106 LYS CE . 34080 1 99 . 1 1 12 12 LYS N N 15 122.399 0.300 . 1 . . . A 106 LYS N . 34080 1 100 . 1 1 13 13 ILE H H 1 8.926 0.020 . 1 . . . A 107 ILE H . 34080 1 101 . 1 1 13 13 ILE HA H 1 5.071 0.020 . 1 . . . A 107 ILE HA . 34080 1 102 . 1 1 13 13 ILE HB H 1 1.793 0.020 . 1 . . . A 107 ILE HB . 34080 1 103 . 1 1 13 13 ILE HG12 H 1 1.158 0.020 . 2 . . . A 107 ILE HG12 . 34080 1 104 . 1 1 13 13 ILE HG13 H 1 1.259 0.020 . 2 . . . A 107 ILE HG13 . 34080 1 105 . 1 1 13 13 ILE HG21 H 1 0.716 0.020 . 1 . . . A 107 ILE HG21 . 34080 1 106 . 1 1 13 13 ILE HG22 H 1 0.716 0.020 . 1 . . . A 107 ILE HG22 . 34080 1 107 . 1 1 13 13 ILE HG23 H 1 0.716 0.020 . 1 . . . A 107 ILE HG23 . 34080 1 108 . 1 1 13 13 ILE HD11 H 1 0.119 0.020 . 1 . . . A 107 ILE HD11 . 34080 1 109 . 1 1 13 13 ILE HD12 H 1 0.119 0.020 . 1 . . . A 107 ILE HD12 . 34080 1 110 . 1 1 13 13 ILE HD13 H 1 0.119 0.020 . 1 . . . A 107 ILE HD13 . 34080 1 111 . 1 1 13 13 ILE CA C 13 59.084 0.300 . 1 . . . A 107 ILE CA . 34080 1 112 . 1 1 13 13 ILE CB C 13 40.426 0.300 . 1 . . . A 107 ILE CB . 34080 1 113 . 1 1 13 13 ILE CG1 C 13 25.858 0.300 . 1 . . . A 107 ILE CG1 . 34080 1 114 . 1 1 13 13 ILE CG2 C 13 19.316 0.300 . 1 . . . A 107 ILE CG2 . 34080 1 115 . 1 1 13 13 ILE CD1 C 13 13.728 0.300 . 1 . . . A 107 ILE CD1 . 34080 1 116 . 1 1 13 13 ILE N N 15 116.158 0.300 . 1 . . . A 107 ILE N . 34080 1 117 . 1 1 14 14 PHE H H 1 9.090 0.020 . 1 . . . A 108 PHE H . 34080 1 118 . 1 1 14 14 PHE HA H 1 4.300 0.020 . 1 . . . A 108 PHE HA . 34080 1 119 . 1 1 14 14 PHE HB2 H 1 2.078 0.020 . 1 . . . A 108 PHE HB2 . 34080 1 120 . 1 1 14 14 PHE HB3 H 1 2.526 0.020 . 1 . . . A 108 PHE HB3 . 34080 1 121 . 1 1 14 14 PHE HD1 H 1 6.026 0.020 . 1 . . . A 108 PHE HD1 . 34080 1 122 . 1 1 14 14 PHE HD2 H 1 6.026 0.020 . 1 . . . A 108 PHE HD2 . 34080 1 123 . 1 1 14 14 PHE HE1 H 1 6.397 0.020 . 1 . . . A 108 PHE HE1 . 34080 1 124 . 1 1 14 14 PHE HE2 H 1 6.397 0.020 . 1 . . . A 108 PHE HE2 . 34080 1 125 . 1 1 14 14 PHE HZ H 1 6.627 0.020 . 1 . . . A 108 PHE HZ . 34080 1 126 . 1 1 14 14 PHE CA C 13 56.515 0.300 . 1 . . . A 108 PHE CA . 34080 1 127 . 1 1 14 14 PHE CB C 13 41.246 0.300 . 1 . . . A 108 PHE CB . 34080 1 128 . 1 1 14 14 PHE CD1 C 13 129.894 0.300 . 1 . . . A 108 PHE CD1 . 34080 1 129 . 1 1 14 14 PHE CE1 C 13 130.905 0.300 . 1 . . . A 108 PHE CE1 . 34080 1 130 . 1 1 14 14 PHE CZ C 13 128.854 0.300 . 1 . . . A 108 PHE CZ . 34080 1 131 . 1 1 14 14 PHE N N 15 124.304 0.300 . 1 . . . A 108 PHE N . 34080 1 132 . 1 1 15 15 VAL H H 1 8.208 0.020 . 1 . . . A 109 VAL H . 34080 1 133 . 1 1 15 15 VAL HA H 1 4.414 0.020 . 1 . . . A 109 VAL HA . 34080 1 134 . 1 1 15 15 VAL HB H 1 1.588 0.020 . 1 . . . A 109 VAL HB . 34080 1 135 . 1 1 15 15 VAL HG11 H 1 0.510 0.020 . 2 . . . A 109 VAL HG11 . 34080 1 136 . 1 1 15 15 VAL HG12 H 1 0.510 0.020 . 2 . . . A 109 VAL HG12 . 34080 1 137 . 1 1 15 15 VAL HG13 H 1 0.510 0.020 . 2 . . . A 109 VAL HG13 . 34080 1 138 . 1 1 15 15 VAL HG21 H 1 0.691 0.020 . 2 . . . A 109 VAL HG21 . 34080 1 139 . 1 1 15 15 VAL HG22 H 1 0.691 0.020 . 2 . . . A 109 VAL HG22 . 34080 1 140 . 1 1 15 15 VAL HG23 H 1 0.691 0.020 . 2 . . . A 109 VAL HG23 . 34080 1 141 . 1 1 15 15 VAL CA C 13 60.380 0.300 . 1 . . . A 109 VAL CA . 34080 1 142 . 1 1 15 15 VAL CB C 13 33.060 0.300 . 1 . . . A 109 VAL CB . 34080 1 143 . 1 1 15 15 VAL CG1 C 13 20.886 0.300 . 1 . . . A 109 VAL CG1 . 34080 1 144 . 1 1 15 15 VAL CG2 C 13 21.115 0.300 . 1 . . . A 109 VAL CG2 . 34080 1 145 . 1 1 15 15 VAL N N 15 127.319 0.300 . 1 . . . A 109 VAL N . 34080 1 146 . 1 1 16 16 GLY H H 1 9.006 0.020 . 1 . . . A 110 GLY H . 34080 1 147 . 1 1 16 16 GLY HA2 H 1 3.543 0.020 . 2 . . . A 110 GLY HA2 . 34080 1 148 . 1 1 16 16 GLY HA3 H 1 4.297 0.020 . 2 . . . A 110 GLY HA3 . 34080 1 149 . 1 1 16 16 GLY CA C 13 43.721 0.300 . 1 . . . A 110 GLY CA . 34080 1 150 . 1 1 16 16 GLY N N 15 113.323 0.300 . 1 . . . A 110 GLY N . 34080 1 151 . 1 1 17 17 GLY H H 1 7.835 0.020 . 1 . . . A 111 GLY H . 34080 1 152 . 1 1 17 17 GLY HA2 H 1 3.850 0.020 . 2 . . . A 111 GLY HA2 . 34080 1 153 . 1 1 17 17 GLY HA3 H 1 4.291 0.020 . 2 . . . A 111 GLY HA3 . 34080 1 154 . 1 1 17 17 GLY CA C 13 46.246 0.300 . 1 . . . A 111 GLY CA . 34080 1 155 . 1 1 17 17 GLY N N 15 106.620 0.300 . 1 . . . A 111 GLY N . 34080 1 156 . 1 1 18 18 ILE HG21 H 1 0.690 0.020 . 1 . . . A 112 ILE HG21 . 34080 1 157 . 1 1 18 18 ILE HG22 H 1 0.690 0.020 . 1 . . . A 112 ILE HG22 . 34080 1 158 . 1 1 18 18 ILE HG23 H 1 0.690 0.020 . 1 . . . A 112 ILE HG23 . 34080 1 159 . 1 1 18 18 ILE HD11 H 1 0.497 0.020 . 1 . . . A 112 ILE HD11 . 34080 1 160 . 1 1 18 18 ILE HD12 H 1 0.497 0.020 . 1 . . . A 112 ILE HD12 . 34080 1 161 . 1 1 18 18 ILE HD13 H 1 0.497 0.020 . 1 . . . A 112 ILE HD13 . 34080 1 162 . 1 1 18 18 ILE CG2 C 13 18.549 0.300 . 1 . . . A 112 ILE CG2 . 34080 1 163 . 1 1 18 18 ILE CD1 C 13 14.337 0.300 . 1 . . . A 112 ILE CD1 . 34080 1 164 . 1 1 21 21 ASP HA H 1 4.334 0.020 . 1 . . . A 115 ASP HA . 34080 1 165 . 1 1 21 21 ASP CA C 13 62.727 0.300 . 1 . . . A 115 ASP CA . 34080 1 166 . 1 1 22 22 THR HA H 1 3.213 0.020 . 1 . . . A 116 THR HA . 34080 1 167 . 1 1 22 22 THR HB H 1 3.970 0.020 . 1 . . . A 116 THR HB . 34080 1 168 . 1 1 22 22 THR HG21 H 1 1.052 0.020 . 1 . . . A 116 THR HG21 . 34080 1 169 . 1 1 22 22 THR HG22 H 1 1.052 0.020 . 1 . . . A 116 THR HG22 . 34080 1 170 . 1 1 22 22 THR HG23 H 1 1.052 0.020 . 1 . . . A 116 THR HG23 . 34080 1 171 . 1 1 22 22 THR CA C 13 63.007 0.300 . 1 . . . A 116 THR CA . 34080 1 172 . 1 1 22 22 THR CB C 13 69.397 0.300 . 1 . . . A 116 THR CB . 34080 1 173 . 1 1 22 22 THR CG2 C 13 22.519 0.300 . 1 . . . A 116 THR CG2 . 34080 1 174 . 1 1 23 23 GLU H H 1 11.182 0.020 . 1 . . . A 117 GLU H . 34080 1 175 . 1 1 23 23 GLU HA H 1 4.644 0.020 . 1 . . . A 117 GLU HA . 34080 1 176 . 1 1 23 23 GLU HB2 H 1 2.240 0.020 . 1 . . . A 117 GLU HB2 . 34080 1 177 . 1 1 23 23 GLU HB3 H 1 1.315 0.020 . 1 . . . A 117 GLU HB3 . 34080 1 178 . 1 1 23 23 GLU HG2 H 1 2.248 0.020 . 1 . . . A 117 GLU HG2 . 34080 1 179 . 1 1 23 23 GLU HG3 H 1 2.377 0.020 . 1 . . . A 117 GLU HG3 . 34080 1 180 . 1 1 23 23 GLU CA C 13 53.729 0.300 . 1 . . . A 117 GLU CA . 34080 1 181 . 1 1 23 23 GLU CB C 13 32.919 0.300 . 1 . . . A 117 GLU CB . 34080 1 182 . 1 1 23 23 GLU CG C 13 35.613 0.300 . 1 . . . A 117 GLU CG . 34080 1 183 . 1 1 23 23 GLU N N 15 130.214 0.300 . 1 . . . A 117 GLU N . 34080 1 184 . 1 1 24 24 GLU H H 1 9.318 0.020 . 1 . . . A 118 GLU H . 34080 1 185 . 1 1 24 24 GLU HA H 1 3.617 0.020 . 1 . . . A 118 GLU HA . 34080 1 186 . 1 1 24 24 GLU HB2 H 1 2.079 0.020 . 1 . . . A 118 GLU HB2 . 34080 1 187 . 1 1 24 24 GLU HB3 H 1 2.156 0.020 . 1 . . . A 118 GLU HB3 . 34080 1 188 . 1 1 24 24 GLU HG2 H 1 2.177 0.020 . 2 . . . A 118 GLU HG2 . 34080 1 189 . 1 1 24 24 GLU HG3 H 1 2.224 0.020 . 2 . . . A 118 GLU HG3 . 34080 1 190 . 1 1 24 24 GLU CA C 13 61.629 0.300 . 1 . . . A 118 GLU CA . 34080 1 191 . 1 1 24 24 GLU CB C 13 28.899 0.300 . 1 . . . A 118 GLU CB . 34080 1 192 . 1 1 24 24 GLU CG C 13 36.748 0.300 . 1 . . . A 118 GLU CG . 34080 1 193 . 1 1 24 24 GLU N N 15 122.337 0.300 . 1 . . . A 118 GLU N . 34080 1 194 . 1 1 25 25 HIS H H 1 8.352 0.020 . 1 . . . A 119 HIS H . 34080 1 195 . 1 1 25 25 HIS HA H 1 4.272 0.020 . 1 . . . A 119 HIS HA . 34080 1 196 . 1 1 25 25 HIS HB2 H 1 3.045 0.020 . 1 . . . A 119 HIS HB2 . 34080 1 197 . 1 1 25 25 HIS HB3 H 1 3.209 0.020 . 1 . . . A 119 HIS HB3 . 34080 1 198 . 1 1 25 25 HIS HD2 H 1 6.956 0.020 . 1 . . . A 119 HIS HD2 . 34080 1 199 . 1 1 25 25 HIS HE1 H 1 7.680 0.020 . 1 . . . A 119 HIS HE1 . 34080 1 200 . 1 1 25 25 HIS CA C 13 58.689 0.300 . 1 . . . A 119 HIS CA . 34080 1 201 . 1 1 25 25 HIS CB C 13 27.816 0.300 . 1 . . . A 119 HIS CB . 34080 1 202 . 1 1 25 25 HIS CD2 C 13 119.993 0.300 . 1 . . . A 119 HIS CD2 . 34080 1 203 . 1 1 25 25 HIS CE1 C 13 137.567 0.300 . 1 . . . A 119 HIS CE1 . 34080 1 204 . 1 1 25 25 HIS N N 15 113.374 0.300 . 1 . . . A 119 HIS N . 34080 1 205 . 1 1 26 26 HIS H H 1 6.470 0.020 . 1 . . . A 120 HIS H . 34080 1 206 . 1 1 26 26 HIS HA H 1 4.329 0.020 . 1 . . . A 120 HIS HA . 34080 1 207 . 1 1 26 26 HIS HB2 H 1 2.834 0.020 . 1 . . . A 120 HIS HB2 . 34080 1 208 . 1 1 26 26 HIS HB3 H 1 3.241 0.020 . 1 . . . A 120 HIS HB3 . 34080 1 209 . 1 1 26 26 HIS HD2 H 1 7.064 0.020 . 1 . . . A 120 HIS HD2 . 34080 1 210 . 1 1 26 26 HIS HE1 H 1 7.667 0.020 . 1 . . . A 120 HIS HE1 . 34080 1 211 . 1 1 26 26 HIS CA C 13 60.197 0.300 . 1 . . . A 120 HIS CA . 34080 1 212 . 1 1 26 26 HIS CB C 13 32.227 0.300 . 1 . . . A 120 HIS CB . 34080 1 213 . 1 1 26 26 HIS CD2 C 13 116.914 0.300 . 1 . . . A 120 HIS CD2 . 34080 1 214 . 1 1 26 26 HIS CE1 C 13 138.065 0.300 . 1 . . . A 120 HIS CE1 . 34080 1 215 . 1 1 26 26 HIS N N 15 118.440 0.300 . 1 . . . A 120 HIS N . 34080 1 216 . 1 1 27 27 LEU H H 1 7.108 0.020 . 1 . . . A 121 LEU H . 34080 1 217 . 1 1 27 27 LEU HA H 1 4.163 0.020 . 1 . . . A 121 LEU HA . 34080 1 218 . 1 1 27 27 LEU HB2 H 1 1.383 0.020 . 1 . . . A 121 LEU HB2 . 34080 1 219 . 1 1 27 27 LEU HB3 H 1 2.134 0.020 . 1 . . . A 121 LEU HB3 . 34080 1 220 . 1 1 27 27 LEU HG H 1 1.308 0.020 . 1 . . . A 121 LEU HG . 34080 1 221 . 1 1 27 27 LEU HD11 H 1 0.595 0.020 . 2 . . . A 121 LEU HD11 . 34080 1 222 . 1 1 27 27 LEU HD12 H 1 0.595 0.020 . 2 . . . A 121 LEU HD12 . 34080 1 223 . 1 1 27 27 LEU HD13 H 1 0.595 0.020 . 2 . . . A 121 LEU HD13 . 34080 1 224 . 1 1 27 27 LEU HD21 H 1 0.839 0.020 . 2 . . . A 121 LEU HD21 . 34080 1 225 . 1 1 27 27 LEU HD22 H 1 0.839 0.020 . 2 . . . A 121 LEU HD22 . 34080 1 226 . 1 1 27 27 LEU HD23 H 1 0.839 0.020 . 2 . . . A 121 LEU HD23 . 34080 1 227 . 1 1 27 27 LEU CA C 13 57.744 0.300 . 1 . . . A 121 LEU CA . 34080 1 228 . 1 1 27 27 LEU CB C 13 42.547 0.300 . 1 . . . A 121 LEU CB . 34080 1 229 . 1 1 27 27 LEU CG C 13 27.034 0.300 . 1 . . . A 121 LEU CG . 34080 1 230 . 1 1 27 27 LEU CD1 C 13 26.827 0.300 . 1 . . . A 121 LEU CD1 . 34080 1 231 . 1 1 27 27 LEU CD2 C 13 24.659 0.300 . 1 . . . A 121 LEU CD2 . 34080 1 232 . 1 1 27 27 LEU N N 15 117.157 0.300 . 1 . . . A 121 LEU N . 34080 1 233 . 1 1 28 28 ARG H H 1 8.737 0.020 . 1 . . . A 122 ARG H . 34080 1 234 . 1 1 28 28 ARG HA H 1 3.745 0.020 . 1 . . . A 122 ARG HA . 34080 1 235 . 1 1 28 28 ARG HB2 H 1 1.818 0.020 . 1 . . . A 122 ARG HB2 . 34080 1 236 . 1 1 28 28 ARG HB3 H 1 1.893 0.020 . 1 . . . A 122 ARG HB3 . 34080 1 237 . 1 1 28 28 ARG HG2 H 1 1.489 0.020 . 1 . . . A 122 ARG HG2 . 34080 1 238 . 1 1 28 28 ARG HG3 H 1 1.578 0.020 . 1 . . . A 122 ARG HG3 . 34080 1 239 . 1 1 28 28 ARG HD2 H 1 3.133 0.020 . 1 . . . A 122 ARG HD2 . 34080 1 240 . 1 1 28 28 ARG HD3 H 1 3.330 0.020 . 1 . . . A 122 ARG HD3 . 34080 1 241 . 1 1 28 28 ARG HE H 1 7.704 0.020 . 1 . . . A 122 ARG HE . 34080 1 242 . 1 1 28 28 ARG CA C 13 60.370 0.300 . 1 . . . A 122 ARG CA . 34080 1 243 . 1 1 28 28 ARG CB C 13 30.145 0.300 . 1 . . . A 122 ARG CB . 34080 1 244 . 1 1 28 28 ARG CG C 13 28.236 0.300 . 1 . . . A 122 ARG CG . 34080 1 245 . 1 1 28 28 ARG CD C 13 42.761 0.300 . 1 . . . A 122 ARG CD . 34080 1 246 . 1 1 28 28 ARG N N 15 121.749 0.300 . 1 . . . A 122 ARG N . 34080 1 247 . 1 1 28 28 ARG NE N 15 83.901 0.300 . 1 . . . A 122 ARG NE . 34080 1 248 . 1 1 29 29 ASP H H 1 8.401 0.020 . 1 . . . A 123 ASP H . 34080 1 249 . 1 1 29 29 ASP HA H 1 4.282 0.020 . 1 . . . A 123 ASP HA . 34080 1 250 . 1 1 29 29 ASP HB2 H 1 2.699 0.020 . 2 . . . A 123 ASP HB2 . 34080 1 251 . 1 1 29 29 ASP HB3 H 1 2.805 0.020 . 2 . . . A 123 ASP HB3 . 34080 1 252 . 1 1 29 29 ASP CA C 13 57.118 0.300 . 1 . . . A 123 ASP CA . 34080 1 253 . 1 1 29 29 ASP CB C 13 40.494 0.300 . 1 . . . A 123 ASP CB . 34080 1 254 . 1 1 29 29 ASP N N 15 116.105 0.300 . 1 . . . A 123 ASP N . 34080 1 255 . 1 1 30 30 TYR H H 1 7.212 0.020 . 1 . . . A 124 TYR H . 34080 1 256 . 1 1 30 30 TYR HA H 1 4.326 0.020 . 1 . . . A 124 TYR HA . 34080 1 257 . 1 1 30 30 TYR HB2 H 1 2.485 0.020 . 1 . . . A 124 TYR HB2 . 34080 1 258 . 1 1 30 30 TYR HB3 H 1 3.141 0.020 . 1 . . . A 124 TYR HB3 . 34080 1 259 . 1 1 30 30 TYR HD1 H 1 5.891 0.020 . 1 . . . A 124 TYR HD1 . 34080 1 260 . 1 1 30 30 TYR HD2 H 1 5.891 0.020 . 1 . . . A 124 TYR HD2 . 34080 1 261 . 1 1 30 30 TYR HE1 H 1 6.596 0.020 . 1 . . . A 124 TYR HE1 . 34080 1 262 . 1 1 30 30 TYR HE2 H 1 6.596 0.020 . 1 . . . A 124 TYR HE2 . 34080 1 263 . 1 1 30 30 TYR CA C 13 61.594 0.300 . 1 . . . A 124 TYR CA . 34080 1 264 . 1 1 30 30 TYR CB C 13 39.759 0.300 . 1 . . . A 124 TYR CB . 34080 1 265 . 1 1 30 30 TYR CD1 C 13 132.465 0.300 . 1 . . . A 124 TYR CD1 . 34080 1 266 . 1 1 30 30 TYR CE1 C 13 118.585 0.300 . 1 . . . A 124 TYR CE1 . 34080 1 267 . 1 1 30 30 TYR N N 15 115.113 0.300 . 1 . . . A 124 TYR N . 34080 1 268 . 1 1 31 31 PHE H H 1 8.787 0.020 . 1 . . . A 125 PHE H . 34080 1 269 . 1 1 31 31 PHE HA H 1 4.521 0.020 . 1 . . . A 125 PHE HA . 34080 1 270 . 1 1 31 31 PHE HB2 H 1 3.172 0.020 . 1 . . . A 125 PHE HB2 . 34080 1 271 . 1 1 31 31 PHE HB3 H 1 3.564 0.020 . 1 . . . A 125 PHE HB3 . 34080 1 272 . 1 1 31 31 PHE HD1 H 1 7.586 0.020 . 1 . . . A 125 PHE HD1 . 34080 1 273 . 1 1 31 31 PHE HD2 H 1 7.586 0.020 . 1 . . . A 125 PHE HD2 . 34080 1 274 . 1 1 31 31 PHE HE1 H 1 6.873 0.020 . 1 . . . A 125 PHE HE1 . 34080 1 275 . 1 1 31 31 PHE HE2 H 1 6.873 0.020 . 1 . . . A 125 PHE HE2 . 34080 1 276 . 1 1 31 31 PHE HZ H 1 6.706 0.020 . 1 . . . A 125 PHE HZ . 34080 1 277 . 1 1 31 31 PHE CA C 13 63.375 0.300 . 1 . . . A 125 PHE CA . 34080 1 278 . 1 1 31 31 PHE CB C 13 38.555 0.300 . 1 . . . A 125 PHE CB . 34080 1 279 . 1 1 31 31 PHE CD1 C 13 132.006 0.300 . 1 . . . A 125 PHE CD1 . 34080 1 280 . 1 1 31 31 PHE CE1 C 13 130.971 0.300 . 1 . . . A 125 PHE CE1 . 34080 1 281 . 1 1 31 31 PHE CZ C 13 129.406 0.300 . 1 . . . A 125 PHE CZ . 34080 1 282 . 1 1 31 31 PHE N N 15 113.876 0.300 . 1 . . . A 125 PHE N . 34080 1 283 . 1 1 32 32 GLU H H 1 8.823 0.020 . 1 . . . A 126 GLU H . 34080 1 284 . 1 1 32 32 GLU HA H 1 4.903 0.020 . 1 . . . A 126 GLU HA . 34080 1 285 . 1 1 32 32 GLU HB2 H 1 2.146 0.020 . 1 . . . A 126 GLU HB2 . 34080 1 286 . 1 1 32 32 GLU HB3 H 1 2.283 0.020 . 1 . . . A 126 GLU HB3 . 34080 1 287 . 1 1 32 32 GLU HG2 H 1 2.473 0.020 . 1 . . . A 126 GLU HG2 . 34080 1 288 . 1 1 32 32 GLU HG3 H 1 2.547 0.020 . 1 . . . A 126 GLU HG3 . 34080 1 289 . 1 1 32 32 GLU CA C 13 58.442 0.300 . 1 . . . A 126 GLU CA . 34080 1 290 . 1 1 32 32 GLU CB C 13 28.454 0.300 . 1 . . . A 126 GLU CB . 34080 1 291 . 1 1 32 32 GLU CG C 13 37.146 0.300 . 1 . . . A 126 GLU CG . 34080 1 292 . 1 1 32 32 GLU N N 15 120.428 0.300 . 1 . . . A 126 GLU N . 34080 1 293 . 1 1 33 33 GLN H H 1 7.089 0.020 . 1 . . . A 127 GLN H . 34080 1 294 . 1 1 33 33 GLN HA H 1 4.083 0.020 . 1 . . . A 127 GLN HA . 34080 1 295 . 1 1 33 33 GLN HB2 H 1 1.708 0.020 . 2 . . . A 127 GLN HB2 . 34080 1 296 . 1 1 33 33 GLN HB3 H 1 1.708 0.020 . 2 . . . A 127 GLN HB3 . 34080 1 297 . 1 1 33 33 GLN HG2 H 1 1.342 0.020 . 2 . . . A 127 GLN HG2 . 34080 1 298 . 1 1 33 33 GLN HG3 H 1 1.909 0.020 . 2 . . . A 127 GLN HG3 . 34080 1 299 . 1 1 33 33 GLN HE21 H 1 7.023 0.020 . 1 . . . A 127 GLN HE21 . 34080 1 300 . 1 1 33 33 GLN HE22 H 1 6.342 0.020 . 1 . . . A 127 GLN HE22 . 34080 1 301 . 1 1 33 33 GLN CA C 13 57.445 0.300 . 1 . . . A 127 GLN CA . 34080 1 302 . 1 1 33 33 GLN CB C 13 29.054 0.300 . 1 . . . A 127 GLN CB . 34080 1 303 . 1 1 33 33 GLN CG C 13 33.656 0.300 . 1 . . . A 127 GLN CG . 34080 1 304 . 1 1 33 33 GLN N N 15 115.805 0.300 . 1 . . . A 127 GLN N . 34080 1 305 . 1 1 33 33 GLN NE2 N 15 111.717 0.300 . 1 . . . A 127 GLN NE2 . 34080 1 306 . 1 1 34 34 TYR H H 1 7.947 0.020 . 1 . . . A 128 TYR H . 34080 1 307 . 1 1 34 34 TYR HA H 1 4.365 0.020 . 1 . . . A 128 TYR HA . 34080 1 308 . 1 1 34 34 TYR HB2 H 1 2.918 0.020 . 1 . . . A 128 TYR HB2 . 34080 1 309 . 1 1 34 34 TYR HB3 H 1 3.004 0.020 . 1 . . . A 128 TYR HB3 . 34080 1 310 . 1 1 34 34 TYR HD1 H 1 7.169 0.020 . 1 . . . A 128 TYR HD1 . 34080 1 311 . 1 1 34 34 TYR HD2 H 1 7.169 0.020 . 1 . . . A 128 TYR HD2 . 34080 1 312 . 1 1 34 34 TYR HE1 H 1 6.563 0.020 . 1 . . . A 128 TYR HE1 . 34080 1 313 . 1 1 34 34 TYR HE2 H 1 6.563 0.020 . 1 . . . A 128 TYR HE2 . 34080 1 314 . 1 1 34 34 TYR CA C 13 59.680 0.300 . 1 . . . A 128 TYR CA . 34080 1 315 . 1 1 34 34 TYR CB C 13 39.593 0.300 . 1 . . . A 128 TYR CB . 34080 1 316 . 1 1 34 34 TYR CD1 C 13 133.429 0.300 . 1 . . . A 128 TYR CD1 . 34080 1 317 . 1 1 34 34 TYR CE1 C 13 118.060 0.300 . 1 . . . A 128 TYR CE1 . 34080 1 318 . 1 1 34 34 TYR N N 15 116.648 0.300 . 1 . . . A 128 TYR N . 34080 1 319 . 1 1 35 35 GLY H H 1 7.498 0.020 . 1 . . . A 129 GLY H . 34080 1 320 . 1 1 35 35 GLY HA2 H 1 3.907 0.020 . 1 . . . A 129 GLY HA2 . 34080 1 321 . 1 1 35 35 GLY HA3 H 1 4.424 0.020 . 1 . . . A 129 GLY HA3 . 34080 1 322 . 1 1 35 35 GLY CA C 13 44.748 0.300 . 1 . . . A 129 GLY CA . 34080 1 323 . 1 1 35 35 GLY N N 15 107.329 0.300 . 1 . . . A 129 GLY N . 34080 1 324 . 1 1 36 36 LYS H H 1 8.207 0.020 . 1 . . . A 130 LYS H . 34080 1 325 . 1 1 36 36 LYS HA H 1 4.345 0.020 . 1 . . . A 130 LYS HA . 34080 1 326 . 1 1 36 36 LYS HB2 H 1 1.675 0.020 . 2 . . . A 130 LYS HB2 . 34080 1 327 . 1 1 36 36 LYS HB3 H 1 1.767 0.020 . 2 . . . A 130 LYS HB3 . 34080 1 328 . 1 1 36 36 LYS HG2 H 1 1.326 0.020 . 2 . . . A 130 LYS HG2 . 34080 1 329 . 1 1 36 36 LYS HG3 H 1 1.469 0.020 . 2 . . . A 130 LYS HG3 . 34080 1 330 . 1 1 36 36 LYS HD2 H 1 1.704 0.020 . 2 . . . A 130 LYS HD2 . 34080 1 331 . 1 1 36 36 LYS HD3 H 1 1.704 0.020 . 2 . . . A 130 LYS HD3 . 34080 1 332 . 1 1 36 36 LYS HE2 H 1 2.987 0.020 . 2 . . . A 130 LYS HE2 . 34080 1 333 . 1 1 36 36 LYS HE3 H 1 2.987 0.020 . 2 . . . A 130 LYS HE3 . 34080 1 334 . 1 1 36 36 LYS CA C 13 56.749 0.300 . 1 . . . A 130 LYS CA . 34080 1 335 . 1 1 36 36 LYS CB C 13 33.312 0.300 . 1 . . . A 130 LYS CB . 34080 1 336 . 1 1 36 36 LYS CG C 13 25.095 0.300 . 1 . . . A 130 LYS CG . 34080 1 337 . 1 1 36 36 LYS CD C 13 29.273 0.300 . 1 . . . A 130 LYS CD . 34080 1 338 . 1 1 36 36 LYS CE C 13 42.257 0.300 . 1 . . . A 130 LYS CE . 34080 1 339 . 1 1 36 36 LYS N N 15 117.979 0.300 . 1 . . . A 130 LYS N . 34080 1 340 . 1 1 37 37 ILE H H 1 8.881 0.020 . 1 . . . A 131 ILE H . 34080 1 341 . 1 1 37 37 ILE HA H 1 3.715 0.020 . 1 . . . A 131 ILE HA . 34080 1 342 . 1 1 37 37 ILE HB H 1 1.602 0.020 . 1 . . . A 131 ILE HB . 34080 1 343 . 1 1 37 37 ILE HG12 H 1 1.797 0.020 . 1 . . . A 131 ILE HG12 . 34080 1 344 . 1 1 37 37 ILE HG13 H 1 0.219 0.020 . 1 . . . A 131 ILE HG13 . 34080 1 345 . 1 1 37 37 ILE HG21 H 1 0.472 0.020 . 1 . . . A 131 ILE HG21 . 34080 1 346 . 1 1 37 37 ILE HG22 H 1 0.472 0.020 . 1 . . . A 131 ILE HG22 . 34080 1 347 . 1 1 37 37 ILE HG23 H 1 0.472 0.020 . 1 . . . A 131 ILE HG23 . 34080 1 348 . 1 1 37 37 ILE HD11 H 1 0.778 0.020 . 1 . . . A 131 ILE HD11 . 34080 1 349 . 1 1 37 37 ILE HD12 H 1 0.778 0.020 . 1 . . . A 131 ILE HD12 . 34080 1 350 . 1 1 37 37 ILE HD13 H 1 0.778 0.020 . 1 . . . A 131 ILE HD13 . 34080 1 351 . 1 1 37 37 ILE CA C 13 61.462 0.300 . 1 . . . A 131 ILE CA . 34080 1 352 . 1 1 37 37 ILE CB C 13 40.287 0.300 . 1 . . . A 131 ILE CB . 34080 1 353 . 1 1 37 37 ILE CG1 C 13 28.554 0.300 . 1 . . . A 131 ILE CG1 . 34080 1 354 . 1 1 37 37 ILE CG2 C 13 17.430 0.300 . 1 . . . A 131 ILE CG2 . 34080 1 355 . 1 1 37 37 ILE CD1 C 13 15.514 0.300 . 1 . . . A 131 ILE CD1 . 34080 1 356 . 1 1 37 37 ILE N N 15 127.560 0.300 . 1 . . . A 131 ILE N . 34080 1 357 . 1 1 38 38 GLU H H 1 9.137 0.020 . 1 . . . A 132 GLU H . 34080 1 358 . 1 1 38 38 GLU HA H 1 4.349 0.020 . 1 . . . A 132 GLU HA . 34080 1 359 . 1 1 38 38 GLU HB2 H 1 1.664 0.020 . 1 . . . A 132 GLU HB2 . 34080 1 360 . 1 1 38 38 GLU HB3 H 1 1.752 0.020 . 1 . . . A 132 GLU HB3 . 34080 1 361 . 1 1 38 38 GLU HG2 H 1 1.990 0.020 . 1 . . . A 132 GLU HG2 . 34080 1 362 . 1 1 38 38 GLU HG3 H 1 2.167 0.020 . 1 . . . A 132 GLU HG3 . 34080 1 363 . 1 1 38 38 GLU CA C 13 57.714 0.300 . 1 . . . A 132 GLU CA . 34080 1 364 . 1 1 38 38 GLU CB C 13 31.657 0.300 . 1 . . . A 132 GLU CB . 34080 1 365 . 1 1 38 38 GLU CG C 13 35.788 0.300 . 1 . . . A 132 GLU CG . 34080 1 366 . 1 1 38 38 GLU N N 15 128.350 0.300 . 1 . . . A 132 GLU N . 34080 1 367 . 1 1 39 39 VAL H H 1 7.259 0.020 . 1 . . . A 133 VAL H . 34080 1 368 . 1 1 39 39 VAL HA H 1 4.311 0.020 . 1 . . . A 133 VAL HA . 34080 1 369 . 1 1 39 39 VAL HB H 1 2.057 0.020 . 1 . . . A 133 VAL HB . 34080 1 370 . 1 1 39 39 VAL HG11 H 1 0.891 0.020 . 2 . . . A 133 VAL HG11 . 34080 1 371 . 1 1 39 39 VAL HG12 H 1 0.891 0.020 . 2 . . . A 133 VAL HG12 . 34080 1 372 . 1 1 39 39 VAL HG13 H 1 0.891 0.020 . 2 . . . A 133 VAL HG13 . 34080 1 373 . 1 1 39 39 VAL HG21 H 1 0.912 0.020 . 2 . . . A 133 VAL HG21 . 34080 1 374 . 1 1 39 39 VAL HG22 H 1 0.912 0.020 . 2 . . . A 133 VAL HG22 . 34080 1 375 . 1 1 39 39 VAL HG23 H 1 0.912 0.020 . 2 . . . A 133 VAL HG23 . 34080 1 376 . 1 1 39 39 VAL CA C 13 61.066 0.300 . 1 . . . A 133 VAL CA . 34080 1 377 . 1 1 39 39 VAL CB C 13 35.477 0.300 . 1 . . . A 133 VAL CB . 34080 1 378 . 1 1 39 39 VAL CG1 C 13 21.247 0.300 . 1 . . . A 133 VAL CG1 . 34080 1 379 . 1 1 39 39 VAL CG2 C 13 20.959 0.300 . 1 . . . A 133 VAL CG2 . 34080 1 380 . 1 1 39 39 VAL N N 15 114.989 0.300 . 1 . . . A 133 VAL N . 34080 1 381 . 1 1 40 40 ILE H H 1 8.549 0.020 . 1 . . . A 134 ILE H . 34080 1 382 . 1 1 40 40 ILE HA H 1 4.487 0.020 . 1 . . . A 134 ILE HA . 34080 1 383 . 1 1 40 40 ILE HB H 1 1.650 0.020 . 1 . . . A 134 ILE HB . 34080 1 384 . 1 1 40 40 ILE HG12 H 1 1.576 0.020 . 1 . . . A 134 ILE HG12 . 34080 1 385 . 1 1 40 40 ILE HG13 H 1 0.857 0.020 . 1 . . . A 134 ILE HG13 . 34080 1 386 . 1 1 40 40 ILE HG21 H 1 0.793 0.020 . 1 . . . A 134 ILE HG21 . 34080 1 387 . 1 1 40 40 ILE HG22 H 1 0.793 0.020 . 1 . . . A 134 ILE HG22 . 34080 1 388 . 1 1 40 40 ILE HG23 H 1 0.793 0.020 . 1 . . . A 134 ILE HG23 . 34080 1 389 . 1 1 40 40 ILE HD11 H 1 0.865 0.020 . 1 . . . A 134 ILE HD11 . 34080 1 390 . 1 1 40 40 ILE HD12 H 1 0.865 0.020 . 1 . . . A 134 ILE HD12 . 34080 1 391 . 1 1 40 40 ILE HD13 H 1 0.865 0.020 . 1 . . . A 134 ILE HD13 . 34080 1 392 . 1 1 40 40 ILE CA C 13 60.805 0.300 . 1 . . . A 134 ILE CA . 34080 1 393 . 1 1 40 40 ILE CB C 13 40.407 0.300 . 1 . . . A 134 ILE CB . 34080 1 394 . 1 1 40 40 ILE CG1 C 13 28.936 0.300 . 1 . . . A 134 ILE CG1 . 34080 1 395 . 1 1 40 40 ILE CG2 C 13 18.123 0.300 . 1 . . . A 134 ILE CG2 . 34080 1 396 . 1 1 40 40 ILE CD1 C 13 14.177 0.300 . 1 . . . A 134 ILE CD1 . 34080 1 397 . 1 1 40 40 ILE N N 15 126.905 0.300 . 1 . . . A 134 ILE N . 34080 1 398 . 1 1 41 41 GLU H H 1 8.994 0.020 . 1 . . . A 135 GLU H . 34080 1 399 . 1 1 41 41 GLU HA H 1 4.638 0.020 . 1 . . . A 135 GLU HA . 34080 1 400 . 1 1 41 41 GLU HB2 H 1 2.127 0.020 . 1 . . . A 135 GLU HB2 . 34080 1 401 . 1 1 41 41 GLU HB3 H 1 2.216 0.020 . 1 . . . A 135 GLU HB3 . 34080 1 402 . 1 1 41 41 GLU HG2 H 1 2.038 0.020 . 2 . . . A 135 GLU HG2 . 34080 1 403 . 1 1 41 41 GLU HG3 H 1 2.186 0.020 . 2 . . . A 135 GLU HG3 . 34080 1 404 . 1 1 41 41 GLU CA C 13 54.789 0.300 . 1 . . . A 135 GLU CA . 34080 1 405 . 1 1 41 41 GLU CB C 13 33.157 0.300 . 1 . . . A 135 GLU CB . 34080 1 406 . 1 1 41 41 GLU CG C 13 36.822 0.300 . 1 . . . A 135 GLU CG . 34080 1 407 . 1 1 41 41 GLU N N 15 127.767 0.300 . 1 . . . A 135 GLU N . 34080 1 408 . 1 1 42 42 ILE H H 1 8.904 0.020 . 1 . . . A 136 ILE H . 34080 1 409 . 1 1 42 42 ILE HA H 1 3.781 0.020 . 1 . . . A 136 ILE HA . 34080 1 410 . 1 1 42 42 ILE HB H 1 1.825 0.020 . 1 . . . A 136 ILE HB . 34080 1 411 . 1 1 42 42 ILE HG12 H 1 1.442 0.020 . 2 . . . A 136 ILE HG12 . 34080 1 412 . 1 1 42 42 ILE HG13 H 1 0.690 0.020 . 2 . . . A 136 ILE HG13 . 34080 1 413 . 1 1 42 42 ILE HG21 H 1 0.716 0.020 . 1 . . . A 136 ILE HG21 . 34080 1 414 . 1 1 42 42 ILE HG22 H 1 0.716 0.020 . 1 . . . A 136 ILE HG22 . 34080 1 415 . 1 1 42 42 ILE HG23 H 1 0.716 0.020 . 1 . . . A 136 ILE HG23 . 34080 1 416 . 1 1 42 42 ILE HD11 H 1 0.611 0.020 . 1 . . . A 136 ILE HD11 . 34080 1 417 . 1 1 42 42 ILE HD12 H 1 0.611 0.020 . 1 . . . A 136 ILE HD12 . 34080 1 418 . 1 1 42 42 ILE HD13 H 1 0.611 0.020 . 1 . . . A 136 ILE HD13 . 34080 1 419 . 1 1 42 42 ILE CA C 13 61.272 0.300 . 1 . . . A 136 ILE CA . 34080 1 420 . 1 1 42 42 ILE CB C 13 37.314 0.300 . 1 . . . A 136 ILE CB . 34080 1 421 . 1 1 42 42 ILE CG1 C 13 28.112 0.300 . 1 . . . A 136 ILE CG1 . 34080 1 422 . 1 1 42 42 ILE CG2 C 13 17.652 0.300 . 1 . . . A 136 ILE CG2 . 34080 1 423 . 1 1 42 42 ILE CD1 C 13 12.528 0.300 . 1 . . . A 136 ILE CD1 . 34080 1 424 . 1 1 42 42 ILE N N 15 126.377 0.300 . 1 . . . A 136 ILE N . 34080 1 425 . 1 1 43 43 MET H H 1 7.160 0.020 . 1 . . . A 137 MET H . 34080 1 426 . 1 1 43 43 MET HA H 1 4.790 0.020 . 1 . . . A 137 MET HA . 34080 1 427 . 1 1 43 43 MET HB2 H 1 0.726 0.020 . 2 . . . A 137 MET HB2 . 34080 1 428 . 1 1 43 43 MET HB3 H 1 1.513 0.020 . 2 . . . A 137 MET HB3 . 34080 1 429 . 1 1 43 43 MET HG2 H 1 0.823 0.020 . 2 . . . A 137 MET HG2 . 34080 1 430 . 1 1 43 43 MET HG3 H 1 2.497 0.020 . 2 . . . A 137 MET HG3 . 34080 1 431 . 1 1 43 43 MET HE1 H 1 2.263 0.020 . 1 . . . A 137 MET HE1 . 34080 1 432 . 1 1 43 43 MET HE2 H 1 2.263 0.020 . 1 . . . A 137 MET HE2 . 34080 1 433 . 1 1 43 43 MET HE3 H 1 2.263 0.020 . 1 . . . A 137 MET HE3 . 34080 1 434 . 1 1 43 43 MET CA C 13 54.433 0.300 . 1 . . . A 137 MET CA . 34080 1 435 . 1 1 43 43 MET CB C 13 29.220 0.300 . 1 . . . A 137 MET CB . 34080 1 436 . 1 1 43 43 MET CG C 13 32.410 0.300 . 1 . . . A 137 MET CG . 34080 1 437 . 1 1 43 43 MET CE C 13 16.490 0.300 . 1 . . . A 137 MET CE . 34080 1 438 . 1 1 43 43 MET N N 15 125.347 0.300 . 1 . . . A 137 MET N . 34080 1 439 . 1 1 44 44 THR H H 1 8.620 0.020 . 1 . . . A 138 THR H . 34080 1 440 . 1 1 44 44 THR HA H 1 4.833 0.020 . 1 . . . A 138 THR HA . 34080 1 441 . 1 1 44 44 THR HB H 1 3.760 0.020 . 1 . . . A 138 THR HB . 34080 1 442 . 1 1 44 44 THR HG21 H 1 0.983 0.020 . 1 . . . A 138 THR HG21 . 34080 1 443 . 1 1 44 44 THR HG22 H 1 0.983 0.020 . 1 . . . A 138 THR HG22 . 34080 1 444 . 1 1 44 44 THR HG23 H 1 0.983 0.020 . 1 . . . A 138 THR HG23 . 34080 1 445 . 1 1 44 44 THR CA C 13 59.894 0.300 . 1 . . . A 138 THR CA . 34080 1 446 . 1 1 44 44 THR CB C 13 72.050 0.300 . 1 . . . A 138 THR CB . 34080 1 447 . 1 1 44 44 THR CG2 C 13 21.607 0.300 . 1 . . . A 138 THR CG2 . 34080 1 448 . 1 1 44 44 THR N N 15 115.558 0.300 . 1 . . . A 138 THR N . 34080 1 449 . 1 1 45 45 ASP H H 1 8.991 0.020 . 1 . . . A 139 ASP H . 34080 1 450 . 1 1 45 45 ASP HA H 1 4.739 0.020 . 1 . . . A 139 ASP HA . 34080 1 451 . 1 1 45 45 ASP HB2 H 1 2.520 0.020 . 1 . . . A 139 ASP HB2 . 34080 1 452 . 1 1 45 45 ASP HB3 H 1 2.910 0.020 . 1 . . . A 139 ASP HB3 . 34080 1 453 . 1 1 45 45 ASP CA C 13 53.523 0.300 . 1 . . . A 139 ASP CA . 34080 1 454 . 1 1 45 45 ASP CB C 13 42.612 0.300 . 1 . . . A 139 ASP CB . 34080 1 455 . 1 1 45 45 ASP N N 15 123.985 0.300 . 1 . . . A 139 ASP N . 34080 1 456 . 1 1 46 46 ARG H H 1 9.137 0.020 . 1 . . . A 140 ARG H . 34080 1 457 . 1 1 46 46 ARG HA H 1 4.007 0.020 . 1 . . . A 140 ARG HA . 34080 1 458 . 1 1 46 46 ARG HB2 H 1 1.863 0.020 . 2 . . . A 140 ARG HB2 . 34080 1 459 . 1 1 46 46 ARG HB3 H 1 1.863 0.020 . 2 . . . A 140 ARG HB3 . 34080 1 460 . 1 1 46 46 ARG HG2 H 1 1.690 0.020 . 2 . . . A 140 ARG HG2 . 34080 1 461 . 1 1 46 46 ARG HG3 H 1 1.690 0.020 . 2 . . . A 140 ARG HG3 . 34080 1 462 . 1 1 46 46 ARG HD2 H 1 3.184 0.020 . 2 . . . A 140 ARG HD2 . 34080 1 463 . 1 1 46 46 ARG HD3 H 1 3.184 0.020 . 2 . . . A 140 ARG HD3 . 34080 1 464 . 1 1 46 46 ARG CA C 13 58.474 0.300 . 1 . . . A 140 ARG CA . 34080 1 465 . 1 1 46 46 ARG CB C 13 29.879 0.300 . 1 . . . A 140 ARG CB . 34080 1 466 . 1 1 46 46 ARG CG C 13 27.191 0.300 . 1 . . . A 140 ARG CG . 34080 1 467 . 1 1 46 46 ARG CD C 13 43.182 0.300 . 1 . . . A 140 ARG CD . 34080 1 468 . 1 1 46 46 ARG N N 15 128.350 0.300 . 1 . . . A 140 ARG N . 34080 1 469 . 1 1 47 47 GLY H H 1 8.618 0.020 . 1 . . . A 141 GLY H . 34080 1 470 . 1 1 47 47 GLY HA2 H 1 3.878 0.020 . 2 . . . A 141 GLY HA2 . 34080 1 471 . 1 1 47 47 GLY HA3 H 1 3.975 0.020 . 2 . . . A 141 GLY HA3 . 34080 1 472 . 1 1 47 47 GLY CA C 13 46.435 0.300 . 1 . . . A 141 GLY CA . 34080 1 473 . 1 1 47 47 GLY N N 15 107.203 0.300 . 1 . . . A 141 GLY N . 34080 1 474 . 1 1 48 48 SER H H 1 8.170 0.020 . 1 . . . A 142 SER H . 34080 1 475 . 1 1 48 48 SER HA H 1 4.587 0.020 . 1 . . . A 142 SER HA . 34080 1 476 . 1 1 48 48 SER HB2 H 1 3.828 0.020 . 2 . . . A 142 SER HB2 . 34080 1 477 . 1 1 48 48 SER HB3 H 1 3.985 0.020 . 2 . . . A 142 SER HB3 . 34080 1 478 . 1 1 48 48 SER CA C 13 58.357 0.300 . 1 . . . A 142 SER CA . 34080 1 479 . 1 1 48 48 SER CB C 13 65.797 0.300 . 1 . . . A 142 SER CB . 34080 1 480 . 1 1 48 48 SER N N 15 114.236 0.300 . 1 . . . A 142 SER N . 34080 1 481 . 1 1 49 49 GLY H H 1 8.411 0.020 . 1 . . . A 143 GLY H . 34080 1 482 . 1 1 49 49 GLY HA2 H 1 3.788 0.020 . 1 . . . A 143 GLY HA2 . 34080 1 483 . 1 1 49 49 GLY HA3 H 1 4.204 0.020 . 1 . . . A 143 GLY HA3 . 34080 1 484 . 1 1 49 49 GLY CA C 13 45.579 0.300 . 1 . . . A 143 GLY CA . 34080 1 485 . 1 1 49 49 GLY N N 15 112.677 0.300 . 1 . . . A 143 GLY N . 34080 1 486 . 1 1 50 50 LYS H H 1 7.786 0.020 . 1 . . . A 144 LYS H . 34080 1 487 . 1 1 50 50 LYS HA H 1 4.293 0.020 . 1 . . . A 144 LYS HA . 34080 1 488 . 1 1 50 50 LYS HB2 H 1 1.661 0.020 . 2 . . . A 144 LYS HB2 . 34080 1 489 . 1 1 50 50 LYS HB3 H 1 1.661 0.020 . 2 . . . A 144 LYS HB3 . 34080 1 490 . 1 1 50 50 LYS HG2 H 1 1.405 0.020 . 2 . . . A 144 LYS HG2 . 34080 1 491 . 1 1 50 50 LYS HG3 H 1 1.484 0.020 . 2 . . . A 144 LYS HG3 . 34080 1 492 . 1 1 50 50 LYS HD2 H 1 1.668 0.020 . 2 . . . A 144 LYS HD2 . 34080 1 493 . 1 1 50 50 LYS HD3 H 1 1.668 0.020 . 2 . . . A 144 LYS HD3 . 34080 1 494 . 1 1 50 50 LYS HE2 H 1 2.983 0.020 . 2 . . . A 144 LYS HE2 . 34080 1 495 . 1 1 50 50 LYS HE3 H 1 2.983 0.020 . 2 . . . A 144 LYS HE3 . 34080 1 496 . 1 1 50 50 LYS CA C 13 56.264 0.300 . 1 . . . A 144 LYS CA . 34080 1 497 . 1 1 50 50 LYS CB C 13 33.325 0.300 . 1 . . . A 144 LYS CB . 34080 1 498 . 1 1 50 50 LYS CG C 13 24.992 0.300 . 1 . . . A 144 LYS CG . 34080 1 499 . 1 1 50 50 LYS CD C 13 28.834 0.300 . 1 . . . A 144 LYS CD . 34080 1 500 . 1 1 50 50 LYS CE C 13 42.210 0.300 . 1 . . . A 144 LYS CE . 34080 1 501 . 1 1 50 50 LYS N N 15 120.010 0.300 . 1 . . . A 144 LYS N . 34080 1 502 . 1 1 51 51 LYS H H 1 9.043 0.020 . 1 . . . A 145 LYS H . 34080 1 503 . 1 1 51 51 LYS HA H 1 4.120 0.020 . 1 . . . A 145 LYS HA . 34080 1 504 . 1 1 51 51 LYS HG2 H 1 1.382 0.020 . 2 . . . A 145 LYS HG2 . 34080 1 505 . 1 1 51 51 LYS HG3 H 1 1.685 0.020 . 2 . . . A 145 LYS HG3 . 34080 1 506 . 1 1 51 51 LYS HE2 H 1 2.956 0.020 . 2 . . . A 145 LYS HE2 . 34080 1 507 . 1 1 51 51 LYS HE3 H 1 2.956 0.020 . 2 . . . A 145 LYS HE3 . 34080 1 508 . 1 1 51 51 LYS CA C 13 57.602 0.300 . 1 . . . A 145 LYS CA . 34080 1 509 . 1 1 51 51 LYS CG C 13 26.147 0.300 . 1 . . . A 145 LYS CG . 34080 1 510 . 1 1 51 51 LYS CE C 13 42.693 0.300 . 1 . . . A 145 LYS CE . 34080 1 511 . 1 1 51 51 LYS N N 15 123.499 0.300 . 1 . . . A 145 LYS N . 34080 1 512 . 1 1 52 52 ARG H H 1 7.976 0.020 . 1 . . . A 146 ARG H . 34080 1 513 . 1 1 52 52 ARG HA H 1 4.296 0.020 . 1 . . . A 146 ARG HA . 34080 1 514 . 1 1 52 52 ARG HB2 H 1 1.848 0.020 . 2 . . . A 146 ARG HB2 . 34080 1 515 . 1 1 52 52 ARG HB3 H 1 1.848 0.020 . 2 . . . A 146 ARG HB3 . 34080 1 516 . 1 1 52 52 ARG HG2 H 1 1.631 0.020 . 2 . . . A 146 ARG HG2 . 34080 1 517 . 1 1 52 52 ARG HG3 H 1 1.631 0.020 . 2 . . . A 146 ARG HG3 . 34080 1 518 . 1 1 52 52 ARG HD2 H 1 3.177 0.020 . 2 . . . A 146 ARG HD2 . 34080 1 519 . 1 1 52 52 ARG HD3 H 1 3.177 0.020 . 2 . . . A 146 ARG HD3 . 34080 1 520 . 1 1 52 52 ARG CA C 13 56.290 0.300 . 1 . . . A 146 ARG CA . 34080 1 521 . 1 1 52 52 ARG CB C 13 30.748 0.300 . 1 . . . A 146 ARG CB . 34080 1 522 . 1 1 52 52 ARG CG C 13 26.940 0.300 . 1 . . . A 146 ARG CG . 34080 1 523 . 1 1 52 52 ARG CD C 13 43.180 0.300 . 1 . . . A 146 ARG CD . 34080 1 524 . 1 1 52 52 ARG N N 15 119.308 0.300 . 1 . . . A 146 ARG N . 34080 1 525 . 1 1 53 53 GLY H H 1 8.374 0.020 . 1 . . . A 147 GLY H . 34080 1 526 . 1 1 53 53 GLY HA2 H 1 3.914 0.020 . 2 . . . A 147 GLY HA2 . 34080 1 527 . 1 1 53 53 GLY HA3 H 1 4.306 0.020 . 2 . . . A 147 GLY HA3 . 34080 1 528 . 1 1 53 53 GLY CA C 13 45.538 0.300 . 1 . . . A 147 GLY CA . 34080 1 529 . 1 1 53 53 GLY N N 15 110.370 0.300 . 1 . . . A 147 GLY N . 34080 1 530 . 1 1 54 54 PHE H H 1 7.072 0.020 . 1 . . . A 148 PHE H . 34080 1 531 . 1 1 54 54 PHE HA H 1 4.447 0.020 . 1 . . . A 148 PHE HA . 34080 1 532 . 1 1 54 54 PHE HD1 H 1 6.426 0.020 . 1 . . . A 148 PHE HD1 . 34080 1 533 . 1 1 54 54 PHE HD2 H 1 6.426 0.020 . 1 . . . A 148 PHE HD2 . 34080 1 534 . 1 1 54 54 PHE HE1 H 1 7.215 0.020 . 1 . . . A 148 PHE HE1 . 34080 1 535 . 1 1 54 54 PHE HE2 H 1 7.215 0.020 . 1 . . . A 148 PHE HE2 . 34080 1 536 . 1 1 54 54 PHE HZ H 1 7.246 0.020 . 1 . . . A 148 PHE HZ . 34080 1 537 . 1 1 54 54 PHE CA C 13 55.072 0.300 . 1 . . . A 148 PHE CA . 34080 1 538 . 1 1 54 54 PHE CD1 C 13 132.901 0.300 . 1 . . . A 148 PHE CD1 . 34080 1 539 . 1 1 54 54 PHE CE1 C 13 131.127 0.300 . 1 . . . A 148 PHE CE1 . 34080 1 540 . 1 1 54 54 PHE CZ C 13 128.639 0.300 . 1 . . . A 148 PHE CZ . 34080 1 541 . 1 1 54 54 PHE N N 15 113.727 0.300 . 1 . . . A 148 PHE N . 34080 1 542 . 1 1 55 55 ALA H H 1 8.438 0.020 . 1 . . . A 149 ALA H . 34080 1 543 . 1 1 55 55 ALA HA H 1 4.741 0.020 . 1 . . . A 149 ALA HA . 34080 1 544 . 1 1 55 55 ALA HB1 H 1 0.907 0.020 . 1 . . . A 149 ALA HB1 . 34080 1 545 . 1 1 55 55 ALA HB2 H 1 0.907 0.020 . 1 . . . A 149 ALA HB2 . 34080 1 546 . 1 1 55 55 ALA HB3 H 1 0.907 0.020 . 1 . . . A 149 ALA HB3 . 34080 1 547 . 1 1 55 55 ALA CA C 13 49.314 0.300 . 1 . . . A 149 ALA CA . 34080 1 548 . 1 1 55 55 ALA CB C 13 25.192 0.300 . 1 . . . A 149 ALA CB . 34080 1 549 . 1 1 55 55 ALA N N 15 121.173 0.300 . 1 . . . A 149 ALA N . 34080 1 550 . 1 1 56 56 PHE H H 1 8.537 0.020 . 1 . . . A 150 PHE H . 34080 1 551 . 1 1 56 56 PHE HA H 1 5.672 0.020 . 1 . . . A 150 PHE HA . 34080 1 552 . 1 1 56 56 PHE HB2 H 1 2.653 0.020 . 1 . . . A 150 PHE HB2 . 34080 1 553 . 1 1 56 56 PHE HB3 H 1 2.780 0.020 . 1 . . . A 150 PHE HB3 . 34080 1 554 . 1 1 56 56 PHE HD1 H 1 7.007 0.020 . 1 . . . A 150 PHE HD1 . 34080 1 555 . 1 1 56 56 PHE HD2 H 1 7.007 0.020 . 1 . . . A 150 PHE HD2 . 34080 1 556 . 1 1 56 56 PHE HE1 H 1 6.969 0.020 . 1 . . . A 150 PHE HE1 . 34080 1 557 . 1 1 56 56 PHE HE2 H 1 6.969 0.020 . 1 . . . A 150 PHE HE2 . 34080 1 558 . 1 1 56 56 PHE HZ H 1 6.922 0.020 . 1 . . . A 150 PHE HZ . 34080 1 559 . 1 1 56 56 PHE CA C 13 56.176 0.300 . 1 . . . A 150 PHE CA . 34080 1 560 . 1 1 56 56 PHE CB C 13 43.485 0.300 . 1 . . . A 150 PHE CB . 34080 1 561 . 1 1 56 56 PHE CD1 C 13 130.364 0.300 . 1 . . . A 150 PHE CD1 . 34080 1 562 . 1 1 56 56 PHE CE1 C 13 131.855 0.300 . 1 . . . A 150 PHE CE1 . 34080 1 563 . 1 1 56 56 PHE CZ C 13 128.391 0.300 . 1 . . . A 150 PHE CZ . 34080 1 564 . 1 1 56 56 PHE N N 15 114.207 0.300 . 1 . . . A 150 PHE N . 34080 1 565 . 1 1 57 57 VAL H H 1 8.440 0.020 . 1 . . . A 151 VAL H . 34080 1 566 . 1 1 57 57 VAL HA H 1 4.327 0.020 . 1 . . . A 151 VAL HA . 34080 1 567 . 1 1 57 57 VAL HB H 1 1.381 0.020 . 1 . . . A 151 VAL HB . 34080 1 568 . 1 1 57 57 VAL HG11 H 1 0.058 0.020 . 2 . . . A 151 VAL HG11 . 34080 1 569 . 1 1 57 57 VAL HG12 H 1 0.058 0.020 . 2 . . . A 151 VAL HG12 . 34080 1 570 . 1 1 57 57 VAL HG13 H 1 0.058 0.020 . 2 . . . A 151 VAL HG13 . 34080 1 571 . 1 1 57 57 VAL HG21 H 1 0.452 0.020 . 2 . . . A 151 VAL HG21 . 34080 1 572 . 1 1 57 57 VAL HG22 H 1 0.452 0.020 . 2 . . . A 151 VAL HG22 . 34080 1 573 . 1 1 57 57 VAL HG23 H 1 0.452 0.020 . 2 . . . A 151 VAL HG23 . 34080 1 574 . 1 1 57 57 VAL CA C 13 61.160 0.300 . 1 . . . A 151 VAL CA . 34080 1 575 . 1 1 57 57 VAL CB C 13 33.801 0.300 . 1 . . . A 151 VAL CB . 34080 1 576 . 1 1 57 57 VAL CG1 C 13 22.212 0.300 . 1 . . . A 151 VAL CG1 . 34080 1 577 . 1 1 57 57 VAL CG2 C 13 20.422 0.300 . 1 . . . A 151 VAL CG2 . 34080 1 578 . 1 1 57 57 VAL N N 15 122.124 0.300 . 1 . . . A 151 VAL N . 34080 1 579 . 1 1 58 58 THR H H 1 8.705 0.020 . 1 . . . A 152 THR H . 34080 1 580 . 1 1 58 58 THR HA H 1 4.950 0.020 . 1 . . . A 152 THR HA . 34080 1 581 . 1 1 58 58 THR HB H 1 3.909 0.020 . 1 . . . A 152 THR HB . 34080 1 582 . 1 1 58 58 THR HG21 H 1 1.207 0.020 . 1 . . . A 152 THR HG21 . 34080 1 583 . 1 1 58 58 THR HG22 H 1 1.207 0.020 . 1 . . . A 152 THR HG22 . 34080 1 584 . 1 1 58 58 THR HG23 H 1 1.207 0.020 . 1 . . . A 152 THR HG23 . 34080 1 585 . 1 1 58 58 THR CA C 13 62.024 0.300 . 1 . . . A 152 THR CA . 34080 1 586 . 1 1 58 58 THR CB C 13 69.576 0.300 . 1 . . . A 152 THR CB . 34080 1 587 . 1 1 58 58 THR CG2 C 13 21.286 0.300 . 1 . . . A 152 THR CG2 . 34080 1 588 . 1 1 58 58 THR N N 15 123.148 0.300 . 1 . . . A 152 THR N . 34080 1 589 . 1 1 59 59 PHE H H 1 9.366 0.020 . 1 . . . A 153 PHE H . 34080 1 590 . 1 1 59 59 PHE HA H 1 4.909 0.020 . 1 . . . A 153 PHE HA . 34080 1 591 . 1 1 59 59 PHE HB2 H 1 2.793 0.020 . 1 . . . A 153 PHE HB2 . 34080 1 592 . 1 1 59 59 PHE HB3 H 1 3.599 0.020 . 1 . . . A 153 PHE HB3 . 34080 1 593 . 1 1 59 59 PHE HD1 H 1 7.010 0.020 . 1 . . . A 153 PHE HD1 . 34080 1 594 . 1 1 59 59 PHE HD2 H 1 7.010 0.020 . 1 . . . A 153 PHE HD2 . 34080 1 595 . 1 1 59 59 PHE HE1 H 1 6.892 0.020 . 1 . . . A 153 PHE HE1 . 34080 1 596 . 1 1 59 59 PHE HE2 H 1 6.892 0.020 . 1 . . . A 153 PHE HE2 . 34080 1 597 . 1 1 59 59 PHE HZ H 1 6.809 0.020 . 1 . . . A 153 PHE HZ . 34080 1 598 . 1 1 59 59 PHE CA C 13 58.060 0.300 . 1 . . . A 153 PHE CA . 34080 1 599 . 1 1 59 59 PHE CB C 13 41.678 0.300 . 1 . . . A 153 PHE CB . 34080 1 600 . 1 1 59 59 PHE CD1 C 13 132.179 0.300 . 1 . . . A 153 PHE CD1 . 34080 1 601 . 1 1 59 59 PHE CE1 C 13 130.437 0.300 . 1 . . . A 153 PHE CE1 . 34080 1 602 . 1 1 59 59 PHE CZ C 13 129.581 0.300 . 1 . . . A 153 PHE CZ . 34080 1 603 . 1 1 59 59 PHE N N 15 127.692 0.300 . 1 . . . A 153 PHE N . 34080 1 604 . 1 1 60 60 ASP H H 1 8.257 0.020 . 1 . . . A 154 ASP H . 34080 1 605 . 1 1 60 60 ASP HA H 1 4.541 0.020 . 1 . . . A 154 ASP HA . 34080 1 606 . 1 1 60 60 ASP HB2 H 1 2.579 0.020 . 2 . . . A 154 ASP HB2 . 34080 1 607 . 1 1 60 60 ASP HB3 H 1 2.677 0.020 . 2 . . . A 154 ASP HB3 . 34080 1 608 . 1 1 60 60 ASP CA C 13 55.978 0.300 . 1 . . . A 154 ASP CA . 34080 1 609 . 1 1 60 60 ASP CB C 13 42.573 0.300 . 1 . . . A 154 ASP CB . 34080 1 610 . 1 1 60 60 ASP N N 15 118.232 0.300 . 1 . . . A 154 ASP N . 34080 1 611 . 1 1 61 61 ASP H H 1 8.281 0.020 . 1 . . . A 155 ASP H . 34080 1 612 . 1 1 61 61 ASP HA H 1 4.899 0.020 . 1 . . . A 155 ASP HA . 34080 1 613 . 1 1 61 61 ASP HB2 H 1 2.646 0.020 . 1 . . . A 155 ASP HB2 . 34080 1 614 . 1 1 61 61 ASP HB3 H 1 2.834 0.020 . 1 . . . A 155 ASP HB3 . 34080 1 615 . 1 1 61 61 ASP CA C 13 52.785 0.300 . 1 . . . A 155 ASP CA . 34080 1 616 . 1 1 61 61 ASP CB C 13 44.344 0.300 . 1 . . . A 155 ASP CB . 34080 1 617 . 1 1 61 61 ASP N N 15 117.183 0.300 . 1 . . . A 155 ASP N . 34080 1 618 . 1 1 62 62 HIS H H 1 8.612 0.020 . 1 . . . A 156 HIS H . 34080 1 619 . 1 1 62 62 HIS HA H 1 4.385 0.020 . 1 . . . A 156 HIS HA . 34080 1 620 . 1 1 62 62 HIS HB2 H 1 2.910 0.020 . 2 . . . A 156 HIS HB2 . 34080 1 621 . 1 1 62 62 HIS HB3 H 1 3.338 0.020 . 2 . . . A 156 HIS HB3 . 34080 1 622 . 1 1 62 62 HIS HD2 H 1 7.222 0.020 . 1 . . . A 156 HIS HD2 . 34080 1 623 . 1 1 62 62 HIS HE1 H 1 8.060 0.020 . 1 . . . A 156 HIS HE1 . 34080 1 624 . 1 1 62 62 HIS CA C 13 58.460 0.300 . 1 . . . A 156 HIS CA . 34080 1 625 . 1 1 62 62 HIS CB C 13 29.502 0.300 . 1 . . . A 156 HIS CB . 34080 1 626 . 1 1 62 62 HIS CD2 C 13 121.219 0.300 . 1 . . . A 156 HIS CD2 . 34080 1 627 . 1 1 62 62 HIS CE1 C 13 138.225 0.300 . 1 . . . A 156 HIS CE1 . 34080 1 628 . 1 1 62 62 HIS N N 15 120.660 0.300 . 1 . . . A 156 HIS N . 34080 1 629 . 1 1 63 63 ASP H H 1 8.484 0.020 . 1 . . . A 157 ASP H . 34080 1 630 . 1 1 63 63 ASP HA H 1 4.299 0.020 . 1 . . . A 157 ASP HA . 34080 1 631 . 1 1 63 63 ASP HB2 H 1 2.432 0.020 . 2 . . . A 157 ASP HB2 . 34080 1 632 . 1 1 63 63 ASP HB3 H 1 2.566 0.020 . 2 . . . A 157 ASP HB3 . 34080 1 633 . 1 1 63 63 ASP CA C 13 57.010 0.300 . 1 . . . A 157 ASP CA . 34080 1 634 . 1 1 63 63 ASP CB C 13 40.651 0.300 . 1 . . . A 157 ASP CB . 34080 1 635 . 1 1 63 63 ASP N N 15 122.293 0.300 . 1 . . . A 157 ASP N . 34080 1 636 . 1 1 64 64 SER H H 1 7.517 0.020 . 1 . . . A 158 SER H . 34080 1 637 . 1 1 64 64 SER HA H 1 3.964 0.020 . 1 . . . A 158 SER HA . 34080 1 638 . 1 1 64 64 SER CA C 13 61.608 0.300 . 1 . . . A 158 SER CA . 34080 1 639 . 1 1 64 64 SER N N 15 113.816 0.300 . 1 . . . A 158 SER N . 34080 1 640 . 1 1 65 65 VAL H H 1 6.644 0.020 . 1 . . . A 159 VAL H . 34080 1 641 . 1 1 65 65 VAL HA H 1 2.985 0.020 . 1 . . . A 159 VAL HA . 34080 1 642 . 1 1 65 65 VAL HB H 1 2.280 0.020 . 1 . . . A 159 VAL HB . 34080 1 643 . 1 1 65 65 VAL HG11 H 1 0.855 0.020 . 2 . . . A 159 VAL HG11 . 34080 1 644 . 1 1 65 65 VAL HG12 H 1 0.855 0.020 . 2 . . . A 159 VAL HG12 . 34080 1 645 . 1 1 65 65 VAL HG13 H 1 0.855 0.020 . 2 . . . A 159 VAL HG13 . 34080 1 646 . 1 1 65 65 VAL CA C 13 66.442 0.300 . 1 . . . A 159 VAL CA . 34080 1 647 . 1 1 65 65 VAL CB C 13 31.394 0.300 . 1 . . . A 159 VAL CB . 34080 1 648 . 1 1 65 65 VAL CG1 C 13 23.888 0.300 . 1 . . . A 159 VAL CG1 . 34080 1 649 . 1 1 65 65 VAL N N 15 118.489 0.300 . 1 . . . A 159 VAL N . 34080 1 650 . 1 1 66 66 ASP H H 1 7.728 0.020 . 1 . . . A 160 ASP H . 34080 1 651 . 1 1 66 66 ASP HA H 1 4.292 0.020 . 1 . . . A 160 ASP HA . 34080 1 652 . 1 1 66 66 ASP HB2 H 1 2.624 0.020 . 2 . . . A 160 ASP HB2 . 34080 1 653 . 1 1 66 66 ASP HB3 H 1 2.712 0.020 . 2 . . . A 160 ASP HB3 . 34080 1 654 . 1 1 66 66 ASP CA C 13 57.674 0.300 . 1 . . . A 160 ASP CA . 34080 1 655 . 1 1 66 66 ASP CB C 13 40.209 0.300 . 1 . . . A 160 ASP CB . 34080 1 656 . 1 1 66 66 ASP N N 15 118.901 0.300 . 1 . . . A 160 ASP N . 34080 1 657 . 1 1 67 67 LYS H H 1 7.470 0.020 . 1 . . . A 161 LYS H . 34080 1 658 . 1 1 67 67 LYS HA H 1 4.051 0.020 . 1 . . . A 161 LYS HA . 34080 1 659 . 1 1 67 67 LYS HB2 H 1 1.920 0.020 . 1 . . . A 161 LYS HB2 . 34080 1 660 . 1 1 67 67 LYS HB3 H 1 1.990 0.020 . 1 . . . A 161 LYS HB3 . 34080 1 661 . 1 1 67 67 LYS HG2 H 1 1.540 0.020 . 2 . . . A 161 LYS HG2 . 34080 1 662 . 1 1 67 67 LYS HG3 H 1 1.677 0.020 . 2 . . . A 161 LYS HG3 . 34080 1 663 . 1 1 67 67 LYS HD2 H 1 1.833 0.020 . 2 . . . A 161 LYS HD2 . 34080 1 664 . 1 1 67 67 LYS HD3 H 1 1.936 0.020 . 2 . . . A 161 LYS HD3 . 34080 1 665 . 1 1 67 67 LYS HE2 H 1 2.988 0.020 . 2 . . . A 161 LYS HE2 . 34080 1 666 . 1 1 67 67 LYS HE3 H 1 2.988 0.020 . 2 . . . A 161 LYS HE3 . 34080 1 667 . 1 1 67 67 LYS CA C 13 58.655 0.300 . 1 . . . A 161 LYS CA . 34080 1 668 . 1 1 67 67 LYS CB C 13 33.173 0.300 . 1 . . . A 161 LYS CB . 34080 1 669 . 1 1 67 67 LYS CG C 13 25.625 0.300 . 1 . . . A 161 LYS CG . 34080 1 670 . 1 1 67 67 LYS CD C 13 29.422 0.300 . 1 . . . A 161 LYS CD . 34080 1 671 . 1 1 67 67 LYS CE C 13 41.944 0.300 . 1 . . . A 161 LYS CE . 34080 1 672 . 1 1 67 67 LYS N N 15 116.526 0.300 . 1 . . . A 161 LYS N . 34080 1 673 . 1 1 68 68 ILE H H 1 7.399 0.020 . 1 . . . A 162 ILE H . 34080 1 674 . 1 1 68 68 ILE HA H 1 3.309 0.020 . 1 . . . A 162 ILE HA . 34080 1 675 . 1 1 68 68 ILE HB H 1 1.552 0.020 . 1 . . . A 162 ILE HB . 34080 1 676 . 1 1 68 68 ILE HG12 H 1 1.158 0.020 . 2 . . . A 162 ILE HG12 . 34080 1 677 . 1 1 68 68 ILE HG13 H 1 0.531 0.020 . 2 . . . A 162 ILE HG13 . 34080 1 678 . 1 1 68 68 ILE HG21 H 1 0.485 0.020 . 1 . . . A 162 ILE HG21 . 34080 1 679 . 1 1 68 68 ILE HG22 H 1 0.485 0.020 . 1 . . . A 162 ILE HG22 . 34080 1 680 . 1 1 68 68 ILE HG23 H 1 0.485 0.020 . 1 . . . A 162 ILE HG23 . 34080 1 681 . 1 1 68 68 ILE HD11 H 1 0.274 0.020 . 1 . . . A 162 ILE HD11 . 34080 1 682 . 1 1 68 68 ILE HD12 H 1 0.274 0.020 . 1 . . . A 162 ILE HD12 . 34080 1 683 . 1 1 68 68 ILE HD13 H 1 0.274 0.020 . 1 . . . A 162 ILE HD13 . 34080 1 684 . 1 1 68 68 ILE CA C 13 65.011 0.300 . 1 . . . A 162 ILE CA . 34080 1 685 . 1 1 68 68 ILE CB C 13 39.146 0.300 . 1 . . . A 162 ILE CB . 34080 1 686 . 1 1 68 68 ILE CG1 C 13 28.666 0.300 . 1 . . . A 162 ILE CG1 . 34080 1 687 . 1 1 68 68 ILE CG2 C 13 18.735 0.300 . 1 . . . A 162 ILE CG2 . 34080 1 688 . 1 1 68 68 ILE CD1 C 13 17.518 0.300 . 1 . . . A 162 ILE CD1 . 34080 1 689 . 1 1 68 68 ILE N N 15 119.217 0.300 . 1 . . . A 162 ILE N . 34080 1 690 . 1 1 69 69 VAL H H 1 7.859 0.020 . 1 . . . A 163 VAL H . 34080 1 691 . 1 1 69 69 VAL HA H 1 4.049 0.020 . 1 . . . A 163 VAL HA . 34080 1 692 . 1 1 69 69 VAL HB H 1 2.477 0.020 . 1 . . . A 163 VAL HB . 34080 1 693 . 1 1 69 69 VAL HG11 H 1 0.742 0.020 . 2 . . . A 163 VAL HG11 . 34080 1 694 . 1 1 69 69 VAL HG12 H 1 0.742 0.020 . 2 . . . A 163 VAL HG12 . 34080 1 695 . 1 1 69 69 VAL HG13 H 1 0.742 0.020 . 2 . . . A 163 VAL HG13 . 34080 1 696 . 1 1 69 69 VAL HG21 H 1 0.971 0.020 . 2 . . . A 163 VAL HG21 . 34080 1 697 . 1 1 69 69 VAL HG22 H 1 0.971 0.020 . 2 . . . A 163 VAL HG22 . 34080 1 698 . 1 1 69 69 VAL HG23 H 1 0.971 0.020 . 2 . . . A 163 VAL HG23 . 34080 1 699 . 1 1 69 69 VAL CA C 13 64.280 0.300 . 1 . . . A 163 VAL CA . 34080 1 700 . 1 1 69 69 VAL CB C 13 30.894 0.300 . 1 . . . A 163 VAL CB . 34080 1 701 . 1 1 69 69 VAL CG1 C 13 21.841 0.300 . 1 . . . A 163 VAL CG1 . 34080 1 702 . 1 1 69 69 VAL CG2 C 13 19.727 0.300 . 1 . . . A 163 VAL CG2 . 34080 1 703 . 1 1 69 69 VAL N N 15 110.887 0.300 . 1 . . . A 163 VAL N . 34080 1 704 . 1 1 70 70 ILE H H 1 7.067 0.020 . 1 . . . A 164 ILE H . 34080 1 705 . 1 1 70 70 ILE HA H 1 3.977 0.020 . 1 . . . A 164 ILE HA . 34080 1 706 . 1 1 70 70 ILE HB H 1 1.929 0.020 . 1 . . . A 164 ILE HB . 34080 1 707 . 1 1 70 70 ILE HG12 H 1 1.593 0.020 . 1 . . . A 164 ILE HG12 . 34080 1 708 . 1 1 70 70 ILE HG13 H 1 1.270 0.020 . 1 . . . A 164 ILE HG13 . 34080 1 709 . 1 1 70 70 ILE HG21 H 1 0.989 0.020 . 1 . . . A 164 ILE HG21 . 34080 1 710 . 1 1 70 70 ILE HG22 H 1 0.989 0.020 . 1 . . . A 164 ILE HG22 . 34080 1 711 . 1 1 70 70 ILE HG23 H 1 0.989 0.020 . 1 . . . A 164 ILE HG23 . 34080 1 712 . 1 1 70 70 ILE HD11 H 1 0.924 0.020 . 1 . . . A 164 ILE HD11 . 34080 1 713 . 1 1 70 70 ILE HD12 H 1 0.924 0.020 . 1 . . . A 164 ILE HD12 . 34080 1 714 . 1 1 70 70 ILE HD13 H 1 0.924 0.020 . 1 . . . A 164 ILE HD13 . 34080 1 715 . 1 1 70 70 ILE CA C 13 63.278 0.300 . 1 . . . A 164 ILE CA . 34080 1 716 . 1 1 70 70 ILE CB C 13 38.017 0.300 . 1 . . . A 164 ILE CB . 34080 1 717 . 1 1 70 70 ILE CG1 C 13 28.140 0.300 . 1 . . . A 164 ILE CG1 . 34080 1 718 . 1 1 70 70 ILE CG2 C 13 17.628 0.300 . 1 . . . A 164 ILE CG2 . 34080 1 719 . 1 1 70 70 ILE CD1 C 13 13.471 0.300 . 1 . . . A 164 ILE CD1 . 34080 1 720 . 1 1 70 70 ILE N N 15 118.719 0.300 . 1 . . . A 164 ILE N . 34080 1 721 . 1 1 71 71 GLN H H 1 7.510 0.020 . 1 . . . A 165 GLN H . 34080 1 722 . 1 1 71 71 GLN HA H 1 4.447 0.020 . 1 . . . A 165 GLN HA . 34080 1 723 . 1 1 71 71 GLN HE21 H 1 7.335 0.020 . 2 . . . A 165 GLN HE21 . 34080 1 724 . 1 1 71 71 GLN HE22 H 1 6.766 0.020 . 2 . . . A 165 GLN HE22 . 34080 1 725 . 1 1 71 71 GLN CA C 13 55.072 0.300 . 1 . . . A 165 GLN CA . 34080 1 726 . 1 1 71 71 GLN N N 15 120.622 0.300 . 1 . . . A 165 GLN N . 34080 1 727 . 1 1 71 71 GLN NE2 N 15 111.811 0.300 . 1 . . . A 165 GLN NE2 . 34080 1 728 . 1 1 72 72 LYS HA H 1 3.964 0.020 . 1 . . . A 166 LYS HA . 34080 1 729 . 1 1 72 72 LYS HB2 H 1 1.584 0.020 . 2 . . . A 166 LYS HB2 . 34080 1 730 . 1 1 72 72 LYS HB3 H 1 1.584 0.020 . 2 . . . A 166 LYS HB3 . 34080 1 731 . 1 1 72 72 LYS HG2 H 1 0.566 0.020 . 2 . . . A 166 LYS HG2 . 34080 1 732 . 1 1 72 72 LYS HG3 H 1 1.234 0.020 . 2 . . . A 166 LYS HG3 . 34080 1 733 . 1 1 72 72 LYS HD2 H 1 1.541 0.020 . 2 . . . A 166 LYS HD2 . 34080 1 734 . 1 1 72 72 LYS HD3 H 1 1.541 0.020 . 2 . . . A 166 LYS HD3 . 34080 1 735 . 1 1 72 72 LYS HE2 H 1 2.829 0.020 . 2 . . . A 166 LYS HE2 . 34080 1 736 . 1 1 72 72 LYS HE3 H 1 2.829 0.020 . 2 . . . A 166 LYS HE3 . 34080 1 737 . 1 1 72 72 LYS CA C 13 60.392 0.300 . 1 . . . A 166 LYS CA . 34080 1 738 . 1 1 72 72 LYS CB C 13 33.008 0.300 . 1 . . . A 166 LYS CB . 34080 1 739 . 1 1 72 72 LYS CG C 13 24.976 0.300 . 1 . . . A 166 LYS CG . 34080 1 740 . 1 1 72 72 LYS CD C 13 29.456 0.300 . 1 . . . A 166 LYS CD . 34080 1 741 . 1 1 72 72 LYS CE C 13 41.874 0.300 . 1 . . . A 166 LYS CE . 34080 1 742 . 1 1 73 73 TYR H H 1 7.881 0.020 . 1 . . . A 167 TYR H . 34080 1 743 . 1 1 73 73 TYR HA H 1 5.507 0.020 . 1 . . . A 167 TYR HA . 34080 1 744 . 1 1 73 73 TYR HB2 H 1 2.631 0.020 . 1 . . . A 167 TYR HB2 . 34080 1 745 . 1 1 73 73 TYR HB3 H 1 3.000 0.020 . 1 . . . A 167 TYR HB3 . 34080 1 746 . 1 1 73 73 TYR HD1 H 1 7.051 0.020 . 1 . . . A 167 TYR HD1 . 34080 1 747 . 1 1 73 73 TYR HD2 H 1 7.051 0.020 . 1 . . . A 167 TYR HD2 . 34080 1 748 . 1 1 73 73 TYR HE1 H 1 6.848 0.020 . 1 . . . A 167 TYR HE1 . 34080 1 749 . 1 1 73 73 TYR HE2 H 1 6.848 0.020 . 1 . . . A 167 TYR HE2 . 34080 1 750 . 1 1 73 73 TYR CA C 13 56.375 0.300 . 1 . . . A 167 TYR CA . 34080 1 751 . 1 1 73 73 TYR CB C 13 39.834 0.300 . 1 . . . A 167 TYR CB . 34080 1 752 . 1 1 73 73 TYR CD1 C 13 133.381 0.300 . 1 . . . A 167 TYR CD1 . 34080 1 753 . 1 1 73 73 TYR CE1 C 13 117.922 0.300 . 1 . . . A 167 TYR CE1 . 34080 1 754 . 1 1 73 73 TYR N N 15 114.940 0.300 . 1 . . . A 167 TYR N . 34080 1 755 . 1 1 74 74 HIS H H 1 9.015 0.020 . 1 . . . A 168 HIS H . 34080 1 756 . 1 1 74 74 HIS HA H 1 4.511 0.020 . 1 . . . A 168 HIS HA . 34080 1 757 . 1 1 74 74 HIS HB2 H 1 2.404 0.020 . 1 . . . A 168 HIS HB2 . 34080 1 758 . 1 1 74 74 HIS HB3 H 1 2.622 0.020 . 1 . . . A 168 HIS HB3 . 34080 1 759 . 1 1 74 74 HIS HD2 H 1 6.773 0.020 . 1 . . . A 168 HIS HD2 . 34080 1 760 . 1 1 74 74 HIS HE1 H 1 7.805 0.020 . 1 . . . A 168 HIS HE1 . 34080 1 761 . 1 1 74 74 HIS CA C 13 55.102 0.300 . 1 . . . A 168 HIS CA . 34080 1 762 . 1 1 74 74 HIS CB C 13 35.021 0.300 . 1 . . . A 168 HIS CB . 34080 1 763 . 1 1 74 74 HIS CD2 C 13 117.815 0.300 . 1 . . . A 168 HIS CD2 . 34080 1 764 . 1 1 74 74 HIS CE1 C 13 136.545 0.300 . 1 . . . A 168 HIS CE1 . 34080 1 765 . 1 1 74 74 HIS N N 15 122.648 0.300 . 1 . . . A 168 HIS N . 34080 1 766 . 1 1 75 75 THR H H 1 8.823 0.020 . 1 . . . A 169 THR H . 34080 1 767 . 1 1 75 75 THR HA H 1 4.329 0.020 . 1 . . . A 169 THR HA . 34080 1 768 . 1 1 75 75 THR HB H 1 3.870 0.020 . 1 . . . A 169 THR HB . 34080 1 769 . 1 1 75 75 THR HG21 H 1 0.889 0.020 . 1 . . . A 169 THR HG21 . 34080 1 770 . 1 1 75 75 THR HG22 H 1 0.889 0.020 . 1 . . . A 169 THR HG22 . 34080 1 771 . 1 1 75 75 THR HG23 H 1 0.889 0.020 . 1 . . . A 169 THR HG23 . 34080 1 772 . 1 1 75 75 THR CA C 13 61.772 0.300 . 1 . . . A 169 THR CA . 34080 1 773 . 1 1 75 75 THR CB C 13 68.467 0.300 . 1 . . . A 169 THR CB . 34080 1 774 . 1 1 75 75 THR CG2 C 13 21.130 0.300 . 1 . . . A 169 THR CG2 . 34080 1 775 . 1 1 75 75 THR N N 15 122.004 0.300 . 1 . . . A 169 THR N . 34080 1 776 . 1 1 76 76 VAL H H 1 8.242 0.020 . 1 . . . A 170 VAL H . 34080 1 777 . 1 1 76 76 VAL HA H 1 3.745 0.020 . 1 . . . A 170 VAL HA . 34080 1 778 . 1 1 76 76 VAL HB H 1 1.931 0.020 . 1 . . . A 170 VAL HB . 34080 1 779 . 1 1 76 76 VAL HG11 H 1 0.060 0.020 . 2 . . . A 170 VAL HG11 . 34080 1 780 . 1 1 76 76 VAL HG12 H 1 0.060 0.020 . 2 . . . A 170 VAL HG12 . 34080 1 781 . 1 1 76 76 VAL HG13 H 1 0.060 0.020 . 2 . . . A 170 VAL HG13 . 34080 1 782 . 1 1 76 76 VAL HG21 H 1 0.562 0.020 . 2 . . . A 170 VAL HG21 . 34080 1 783 . 1 1 76 76 VAL HG22 H 1 0.562 0.020 . 2 . . . A 170 VAL HG22 . 34080 1 784 . 1 1 76 76 VAL HG23 H 1 0.562 0.020 . 2 . . . A 170 VAL HG23 . 34080 1 785 . 1 1 76 76 VAL CA C 13 60.600 0.300 . 1 . . . A 170 VAL CA . 34080 1 786 . 1 1 76 76 VAL CB C 13 34.164 0.300 . 1 . . . A 170 VAL CB . 34080 1 787 . 1 1 76 76 VAL CG1 C 13 19.894 0.300 . 1 . . . A 170 VAL CG1 . 34080 1 788 . 1 1 76 76 VAL CG2 C 13 21.200 0.300 . 1 . . . A 170 VAL CG2 . 34080 1 789 . 1 1 76 76 VAL N N 15 125.736 0.300 . 1 . . . A 170 VAL N . 34080 1 790 . 1 1 77 77 ASN H H 1 9.416 0.020 . 1 . . . A 171 ASN H . 34080 1 791 . 1 1 77 77 ASN HA H 1 4.057 0.020 . 1 . . . A 171 ASN HA . 34080 1 792 . 1 1 77 77 ASN HB2 H 1 1.533 0.020 . 2 . . . A 171 ASN HB2 . 34080 1 793 . 1 1 77 77 ASN HB3 H 1 2.816 0.020 . 2 . . . A 171 ASN HB3 . 34080 1 794 . 1 1 77 77 ASN CA C 13 53.031 0.300 . 1 . . . A 171 ASN CA . 34080 1 795 . 1 1 77 77 ASN CB C 13 37.343 0.300 . 1 . . . A 171 ASN CB . 34080 1 796 . 1 1 77 77 ASN N N 15 126.727 0.300 . 1 . . . A 171 ASN N . 34080 1 797 . 1 1 78 78 GLY H H 1 8.185 0.020 . 1 . . . A 172 GLY H . 34080 1 798 . 1 1 78 78 GLY HA2 H 1 3.266 0.020 . 2 . . . A 172 GLY HA2 . 34080 1 799 . 1 1 78 78 GLY HA3 H 1 3.628 0.020 . 2 . . . A 172 GLY HA3 . 34080 1 800 . 1 1 78 78 GLY CA C 13 45.006 0.300 . 1 . . . A 172 GLY CA . 34080 1 801 . 1 1 78 78 GLY N N 15 100.557 0.300 . 1 . . . A 172 GLY N . 34080 1 802 . 1 1 79 79 HIS H H 1 7.656 0.020 . 1 . . . A 173 HIS H . 34080 1 803 . 1 1 79 79 HIS HA H 1 4.806 0.020 . 1 . . . A 173 HIS HA . 34080 1 804 . 1 1 79 79 HIS CA C 13 53.677 0.300 . 1 . . . A 173 HIS CA . 34080 1 805 . 1 1 79 79 HIS N N 15 118.920 0.300 . 1 . . . A 173 HIS N . 34080 1 806 . 1 1 80 80 ASN H H 1 9.013 0.020 . 1 . . . A 174 ASN H . 34080 1 807 . 1 1 80 80 ASN HA H 1 4.859 0.020 . 1 . . . A 174 ASN HA . 34080 1 808 . 1 1 80 80 ASN HB2 H 1 1.909 0.020 . 2 . . . A 174 ASN HB2 . 34080 1 809 . 1 1 80 80 ASN HB3 H 1 1.909 0.020 . 2 . . . A 174 ASN HB3 . 34080 1 810 . 1 1 80 80 ASN HD21 H 1 7.304 0.020 . 2 . . . A 174 ASN HD21 . 34080 1 811 . 1 1 80 80 ASN HD22 H 1 6.253 0.020 . 2 . . . A 174 ASN HD22 . 34080 1 812 . 1 1 80 80 ASN CA C 13 53.448 0.300 . 1 . . . A 174 ASN CA . 34080 1 813 . 1 1 80 80 ASN CB C 13 33.713 0.300 . 1 . . . A 174 ASN CB . 34080 1 814 . 1 1 80 80 ASN N N 15 122.313 0.300 . 1 . . . A 174 ASN N . 34080 1 815 . 1 1 80 80 ASN ND2 N 15 111.992 0.300 . 1 . . . A 174 ASN ND2 . 34080 1 816 . 1 1 81 81 CYS H H 1 9.079 0.020 . 1 . . . A 175 CYS H . 34080 1 817 . 1 1 81 81 CYS HA H 1 4.894 0.020 . 1 . . . A 175 CYS HA . 34080 1 818 . 1 1 81 81 CYS HB2 H 1 2.840 0.020 . 2 . . . A 175 CYS HB2 . 34080 1 819 . 1 1 81 81 CYS HB3 H 1 2.840 0.020 . 2 . . . A 175 CYS HB3 . 34080 1 820 . 1 1 81 81 CYS CA C 13 59.061 0.300 . 1 . . . A 175 CYS CA . 34080 1 821 . 1 1 81 81 CYS CB C 13 29.786 0.300 . 1 . . . A 175 CYS CB . 34080 1 822 . 1 1 81 81 CYS N N 15 126.415 0.300 . 1 . . . A 175 CYS N . 34080 1 823 . 1 1 82 82 GLU H H 1 8.174 0.020 . 1 . . . A 176 GLU H . 34080 1 824 . 1 1 82 82 GLU HA H 1 4.885 0.020 . 1 . . . A 176 GLU HA . 34080 1 825 . 1 1 82 82 GLU HB2 H 1 2.018 0.020 . 2 . . . A 176 GLU HB2 . 34080 1 826 . 1 1 82 82 GLU HB3 H 1 2.061 0.020 . 2 . . . A 176 GLU HB3 . 34080 1 827 . 1 1 82 82 GLU HG2 H 1 2.045 0.020 . 2 . . . A 176 GLU HG2 . 34080 1 828 . 1 1 82 82 GLU HG3 H 1 2.101 0.020 . 2 . . . A 176 GLU HG3 . 34080 1 829 . 1 1 82 82 GLU CA C 13 55.189 0.300 . 1 . . . A 176 GLU CA . 34080 1 830 . 1 1 82 82 GLU CB C 13 31.936 0.300 . 1 . . . A 176 GLU CB . 34080 1 831 . 1 1 82 82 GLU CG C 13 37.183 0.300 . 1 . . . A 176 GLU CG . 34080 1 832 . 1 1 82 82 GLU N N 15 124.251 0.300 . 1 . . . A 176 GLU N . 34080 1 833 . 1 1 83 83 VAL H H 1 8.705 0.020 . 1 . . . A 177 VAL H . 34080 1 834 . 1 1 83 83 VAL HA H 1 5.450 0.020 . 1 . . . A 177 VAL HA . 34080 1 835 . 1 1 83 83 VAL HB H 1 1.907 0.020 . 1 . . . A 177 VAL HB . 34080 1 836 . 1 1 83 83 VAL HG11 H 1 0.956 0.020 . 2 . . . A 177 VAL HG11 . 34080 1 837 . 1 1 83 83 VAL HG12 H 1 0.956 0.020 . 2 . . . A 177 VAL HG12 . 34080 1 838 . 1 1 83 83 VAL HG13 H 1 0.956 0.020 . 2 . . . A 177 VAL HG13 . 34080 1 839 . 1 1 83 83 VAL HG21 H 1 0.813 0.020 . 2 . . . A 177 VAL HG21 . 34080 1 840 . 1 1 83 83 VAL HG22 H 1 0.813 0.020 . 2 . . . A 177 VAL HG22 . 34080 1 841 . 1 1 83 83 VAL HG23 H 1 0.813 0.020 . 2 . . . A 177 VAL HG23 . 34080 1 842 . 1 1 83 83 VAL CA C 13 59.765 0.300 . 1 . . . A 177 VAL CA . 34080 1 843 . 1 1 83 83 VAL CB C 13 33.996 0.300 . 1 . . . A 177 VAL CB . 34080 1 844 . 1 1 83 83 VAL CG1 C 13 22.185 0.300 . 1 . . . A 177 VAL CG1 . 34080 1 845 . 1 1 83 83 VAL CG2 C 13 22.919 0.300 . 1 . . . A 177 VAL CG2 . 34080 1 846 . 1 1 83 83 VAL N N 15 123.148 0.300 . 1 . . . A 177 VAL N . 34080 1 847 . 1 1 84 84 ARG H H 1 9.024 0.020 . 1 . . . A 178 ARG H . 34080 1 848 . 1 1 84 84 ARG HA H 1 4.832 0.020 . 1 . . . A 178 ARG HA . 34080 1 849 . 1 1 84 84 ARG HB2 H 1 1.583 0.020 . 1 . . . A 178 ARG HB2 . 34080 1 850 . 1 1 84 84 ARG HB3 H 1 2.089 0.020 . 1 . . . A 178 ARG HB3 . 34080 1 851 . 1 1 84 84 ARG HG2 H 1 1.495 0.020 . 1 . . . A 178 ARG HG2 . 34080 1 852 . 1 1 84 84 ARG HG3 H 1 1.782 0.020 . 1 . . . A 178 ARG HG3 . 34080 1 853 . 1 1 84 84 ARG HD2 H 1 2.716 0.020 . 2 . . . A 178 ARG HD2 . 34080 1 854 . 1 1 84 84 ARG HD3 H 1 3.309 0.020 . 2 . . . A 178 ARG HD3 . 34080 1 855 . 1 1 84 84 ARG CA C 13 53.583 0.300 . 1 . . . A 178 ARG CA . 34080 1 856 . 1 1 84 84 ARG CB C 13 35.126 0.300 . 1 . . . A 178 ARG CB . 34080 1 857 . 1 1 84 84 ARG CG C 13 27.167 0.300 . 1 . . . A 178 ARG CG . 34080 1 858 . 1 1 84 84 ARG CD C 13 43.572 0.300 . 1 . . . A 178 ARG CD . 34080 1 859 . 1 1 84 84 ARG N N 15 122.138 0.300 . 1 . . . A 178 ARG N . 34080 1 860 . 1 1 85 85 LYS H H 1 9.021 0.020 . 1 . . . A 179 LYS H . 34080 1 861 . 1 1 85 85 LYS HA H 1 4.060 0.020 . 1 . . . A 179 LYS HA . 34080 1 862 . 1 1 85 85 LYS HB2 H 1 1.668 0.020 . 2 . . . A 179 LYS HB2 . 34080 1 863 . 1 1 85 85 LYS HB3 H 1 1.805 0.020 . 2 . . . A 179 LYS HB3 . 34080 1 864 . 1 1 85 85 LYS HG2 H 1 1.262 0.020 . 2 . . . A 179 LYS HG2 . 34080 1 865 . 1 1 85 85 LYS HG3 H 1 1.708 0.020 . 2 . . . A 179 LYS HG3 . 34080 1 866 . 1 1 85 85 LYS HD2 H 1 1.700 0.020 . 2 . . . A 179 LYS HD2 . 34080 1 867 . 1 1 85 85 LYS HD3 H 1 1.812 0.020 . 2 . . . A 179 LYS HD3 . 34080 1 868 . 1 1 85 85 LYS HE2 H 1 2.955 0.020 . 2 . . . A 179 LYS HE2 . 34080 1 869 . 1 1 85 85 LYS HE3 H 1 3.030 0.020 . 2 . . . A 179 LYS HE3 . 34080 1 870 . 1 1 85 85 LYS CA C 13 59.223 0.300 . 1 . . . A 179 LYS CA . 34080 1 871 . 1 1 85 85 LYS CB C 13 33.099 0.300 . 1 . . . A 179 LYS CB . 34080 1 872 . 1 1 85 85 LYS CG C 13 27.367 0.300 . 1 . . . A 179 LYS CG . 34080 1 873 . 1 1 85 85 LYS CD C 13 30.058 0.300 . 1 . . . A 179 LYS CD . 34080 1 874 . 1 1 85 85 LYS CE C 13 42.281 0.300 . 1 . . . A 179 LYS CE . 34080 1 875 . 1 1 85 85 LYS N N 15 122.269 0.300 . 1 . . . A 179 LYS N . 34080 1 876 . 1 1 86 86 ALA H H 1 8.433 0.020 . 1 . . . A 180 ALA H . 34080 1 877 . 1 1 86 86 ALA HA H 1 5.336 0.020 . 1 . . . A 180 ALA HA . 34080 1 878 . 1 1 86 86 ALA HB1 H 1 1.368 0.020 . 1 . . . A 180 ALA HB1 . 34080 1 879 . 1 1 86 86 ALA HB2 H 1 1.368 0.020 . 1 . . . A 180 ALA HB2 . 34080 1 880 . 1 1 86 86 ALA HB3 H 1 1.368 0.020 . 1 . . . A 180 ALA HB3 . 34080 1 881 . 1 1 86 86 ALA CA C 13 52.062 0.300 . 1 . . . A 180 ALA CA . 34080 1 882 . 1 1 86 86 ALA CB C 13 18.994 0.300 . 1 . . . A 180 ALA CB . 34080 1 883 . 1 1 86 86 ALA N N 15 126.776 0.300 . 1 . . . A 180 ALA N . 34080 1 884 . 1 1 87 87 LEU H H 1 9.959 0.020 . 1 . . . A 181 LEU H . 34080 1 885 . 1 1 87 87 LEU HA H 1 4.748 0.020 . 1 . . . A 181 LEU HA . 34080 1 886 . 1 1 87 87 LEU HB2 H 1 1.360 0.020 . 2 . . . A 181 LEU HB2 . 34080 1 887 . 1 1 87 87 LEU HB3 H 1 1.360 0.020 . 2 . . . A 181 LEU HB3 . 34080 1 888 . 1 1 87 87 LEU HG H 1 1.665 0.020 . 1 . . . A 181 LEU HG . 34080 1 889 . 1 1 87 87 LEU HD11 H 1 0.740 0.020 . 2 . . . A 181 LEU HD11 . 34080 1 890 . 1 1 87 87 LEU HD12 H 1 0.740 0.020 . 2 . . . A 181 LEU HD12 . 34080 1 891 . 1 1 87 87 LEU HD13 H 1 0.740 0.020 . 2 . . . A 181 LEU HD13 . 34080 1 892 . 1 1 87 87 LEU HD21 H 1 0.796 0.020 . 2 . . . A 181 LEU HD21 . 34080 1 893 . 1 1 87 87 LEU HD22 H 1 0.796 0.020 . 2 . . . A 181 LEU HD22 . 34080 1 894 . 1 1 87 87 LEU HD23 H 1 0.796 0.020 . 2 . . . A 181 LEU HD23 . 34080 1 895 . 1 1 87 87 LEU CA C 13 53.314 0.300 . 1 . . . A 181 LEU CA . 34080 1 896 . 1 1 87 87 LEU CB C 13 44.197 0.300 . 1 . . . A 181 LEU CB . 34080 1 897 . 1 1 87 87 LEU CG C 13 27.298 0.300 . 1 . . . A 181 LEU CG . 34080 1 898 . 1 1 87 87 LEU CD1 C 13 25.453 0.300 . 1 . . . A 181 LEU CD1 . 34080 1 899 . 1 1 87 87 LEU CD2 C 13 23.496 0.300 . 1 . . . A 181 LEU CD2 . 34080 1 900 . 1 1 87 87 LEU N N 15 126.206 0.300 . 1 . . . A 181 LEU N . 34080 1 901 . 1 1 88 88 SER H H 1 9.232 0.020 . 1 . . . A 182 SER H . 34080 1 902 . 1 1 88 88 SER HA H 1 4.455 0.020 . 1 . . . A 182 SER HA . 34080 1 903 . 1 1 88 88 SER HB2 H 1 4.038 0.020 . 2 . . . A 182 SER HB2 . 34080 1 904 . 1 1 88 88 SER HB3 H 1 4.251 0.020 . 2 . . . A 182 SER HB3 . 34080 1 905 . 1 1 88 88 SER CA C 13 57.991 0.300 . 1 . . . A 182 SER CA . 34080 1 906 . 1 1 88 88 SER CB C 13 64.866 0.300 . 1 . . . A 182 SER CB . 34080 1 907 . 1 1 88 88 SER N N 15 120.345 0.300 . 1 . . . A 182 SER N . 34080 1 908 . 1 1 89 89 LYS H H 1 8.854 0.020 . 1 . . . A 183 LYS H . 34080 1 909 . 1 1 89 89 LYS HA H 1 3.931 0.020 . 1 . . . A 183 LYS HA . 34080 1 910 . 1 1 89 89 LYS HB2 H 1 1.698 0.020 . 2 . . . A 183 LYS HB2 . 34080 1 911 . 1 1 89 89 LYS HB3 H 1 1.724 0.020 . 2 . . . A 183 LYS HB3 . 34080 1 912 . 1 1 89 89 LYS HG2 H 1 1.340 0.020 . 2 . . . A 183 LYS HG2 . 34080 1 913 . 1 1 89 89 LYS HG3 H 1 1.379 0.020 . 2 . . . A 183 LYS HG3 . 34080 1 914 . 1 1 89 89 LYS HD2 H 1 1.633 0.020 . 2 . . . A 183 LYS HD2 . 34080 1 915 . 1 1 89 89 LYS HD3 H 1 1.755 0.020 . 2 . . . A 183 LYS HD3 . 34080 1 916 . 1 1 89 89 LYS HE2 H 1 2.863 0.020 . 2 . . . A 183 LYS HE2 . 34080 1 917 . 1 1 89 89 LYS HE3 H 1 2.863 0.020 . 2 . . . A 183 LYS HE3 . 34080 1 918 . 1 1 89 89 LYS CA C 13 59.826 0.300 . 1 . . . A 183 LYS CA . 34080 1 919 . 1 1 89 89 LYS CB C 13 32.199 0.300 . 1 . . . A 183 LYS CB . 34080 1 920 . 1 1 89 89 LYS CG C 13 25.165 0.300 . 1 . . . A 183 LYS CG . 34080 1 921 . 1 1 89 89 LYS CD C 13 29.289 0.300 . 1 . . . A 183 LYS CD . 34080 1 922 . 1 1 89 89 LYS CE C 13 41.694 0.300 . 1 . . . A 183 LYS CE . 34080 1 923 . 1 1 89 89 LYS N N 15 122.377 0.300 . 1 . . . A 183 LYS N . 34080 1 924 . 1 1 90 90 GLN H H 1 8.399 0.020 . 1 . . . A 184 GLN H . 34080 1 925 . 1 1 90 90 GLN HA H 1 4.051 0.020 . 1 . . . A 184 GLN HA . 34080 1 926 . 1 1 90 90 GLN HB2 H 1 1.945 0.020 . 1 . . . A 184 GLN HB2 . 34080 1 927 . 1 1 90 90 GLN HB3 H 1 2.014 0.020 . 1 . . . A 184 GLN HB3 . 34080 1 928 . 1 1 90 90 GLN HG2 H 1 2.325 0.020 . 2 . . . A 184 GLN HG2 . 34080 1 929 . 1 1 90 90 GLN HG3 H 1 2.325 0.020 . 2 . . . A 184 GLN HG3 . 34080 1 930 . 1 1 90 90 GLN CA C 13 58.655 0.300 . 1 . . . A 184 GLN CA . 34080 1 931 . 1 1 90 90 GLN CB C 13 28.113 0.300 . 1 . . . A 184 GLN CB . 34080 1 932 . 1 1 90 90 GLN CG C 13 33.770 0.300 . 1 . . . A 184 GLN CG . 34080 1 933 . 1 1 90 90 GLN N N 15 118.401 0.300 . 1 . . . A 184 GLN N . 34080 1 934 . 1 1 91 91 GLU H H 1 7.883 0.020 . 1 . . . A 185 GLU H . 34080 1 935 . 1 1 91 91 GLU HA H 1 4.012 0.020 . 1 . . . A 185 GLU HA . 34080 1 936 . 1 1 91 91 GLU HB2 H 1 1.895 0.020 . 1 . . . A 185 GLU HB2 . 34080 1 937 . 1 1 91 91 GLU HB3 H 1 1.966 0.020 . 1 . . . A 185 GLU HB3 . 34080 1 938 . 1 1 91 91 GLU HG2 H 1 2.226 0.020 . 2 . . . A 185 GLU HG2 . 34080 1 939 . 1 1 91 91 GLU HG3 H 1 2.226 0.020 . 2 . . . A 185 GLU HG3 . 34080 1 940 . 1 1 91 91 GLU CA C 13 58.486 0.300 . 1 . . . A 185 GLU CA . 34080 1 941 . 1 1 91 91 GLU CB C 13 30.024 0.300 . 1 . . . A 185 GLU CB . 34080 1 942 . 1 1 91 91 GLU CG C 13 37.274 0.300 . 1 . . . A 185 GLU CG . 34080 1 943 . 1 1 91 91 GLU N N 15 120.955 0.300 . 1 . . . A 185 GLU N . 34080 1 944 . 1 1 92 92 MET H H 1 8.030 0.020 . 1 . . . A 186 MET H . 34080 1 945 . 1 1 92 92 MET HA H 1 4.157 0.020 . 1 . . . A 186 MET HA . 34080 1 946 . 1 1 92 92 MET HB2 H 1 2.059 0.020 . 1 . . . A 186 MET HB2 . 34080 1 947 . 1 1 92 92 MET HB3 H 1 2.164 0.020 . 1 . . . A 186 MET HB3 . 34080 1 948 . 1 1 92 92 MET HG2 H 1 1.814 0.020 . 2 . . . A 186 MET HG2 . 34080 1 949 . 1 1 92 92 MET HG3 H 1 1.900 0.020 . 2 . . . A 186 MET HG3 . 34080 1 950 . 1 1 92 92 MET HE1 H 1 1.264 0.020 . 1 . . . A 186 MET HE1 . 34080 1 951 . 1 1 92 92 MET HE2 H 1 1.264 0.020 . 1 . . . A 186 MET HE2 . 34080 1 952 . 1 1 92 92 MET HE3 H 1 1.264 0.020 . 1 . . . A 186 MET HE3 . 34080 1 953 . 1 1 92 92 MET CA C 13 56.267 0.300 . 1 . . . A 186 MET CA . 34080 1 954 . 1 1 92 92 MET CB C 13 31.745 0.300 . 1 . . . A 186 MET CB . 34080 1 955 . 1 1 92 92 MET CG C 13 24.770 0.300 . 1 . . . A 186 MET CG . 34080 1 956 . 1 1 92 92 MET CE C 13 15.480 0.300 . 1 . . . A 186 MET CE . 34080 1 957 . 1 1 92 92 MET N N 15 118.459 0.300 . 1 . . . A 186 MET N . 34080 1 958 . 1 1 93 93 ALA H H 1 7.758 0.020 . 1 . . . A 187 ALA H . 34080 1 959 . 1 1 93 93 ALA HA H 1 4.186 0.020 . 1 . . . A 187 ALA HA . 34080 1 960 . 1 1 93 93 ALA HB1 H 1 1.390 0.020 . 1 . . . A 187 ALA HB1 . 34080 1 961 . 1 1 93 93 ALA HB2 H 1 1.390 0.020 . 1 . . . A 187 ALA HB2 . 34080 1 962 . 1 1 93 93 ALA HB3 H 1 1.390 0.020 . 1 . . . A 187 ALA HB3 . 34080 1 963 . 1 1 93 93 ALA CA C 13 53.635 0.300 . 1 . . . A 187 ALA CA . 34080 1 964 . 1 1 93 93 ALA CB C 13 18.655 0.300 . 1 . . . A 187 ALA CB . 34080 1 965 . 1 1 93 93 ALA N N 15 122.460 0.300 . 1 . . . A 187 ALA N . 34080 1 966 . 1 1 94 94 SER H H 1 7.810 0.020 . 1 . . . A 188 SER H . 34080 1 967 . 1 1 94 94 SER HA H 1 4.341 0.020 . 1 . . . A 188 SER HA . 34080 1 968 . 1 1 94 94 SER HB2 H 1 3.897 0.020 . 2 . . . A 188 SER HB2 . 34080 1 969 . 1 1 94 94 SER HB3 H 1 3.897 0.020 . 2 . . . A 188 SER HB3 . 34080 1 970 . 1 1 94 94 SER CA C 13 59.090 0.300 . 1 . . . A 188 SER CA . 34080 1 971 . 1 1 94 94 SER CB C 13 63.560 0.300 . 1 . . . A 188 SER CB . 34080 1 972 . 1 1 94 94 SER N N 15 113.449 0.300 . 1 . . . A 188 SER N . 34080 1 973 . 1 1 95 95 ALA H H 1 7.899 0.020 . 1 . . . A 189 ALA H . 34080 1 974 . 1 1 95 95 ALA HA H 1 4.274 0.020 . 1 . . . A 189 ALA HA . 34080 1 975 . 1 1 95 95 ALA HB1 H 1 1.376 0.020 . 1 . . . A 189 ALA HB1 . 34080 1 976 . 1 1 95 95 ALA HB2 H 1 1.376 0.020 . 1 . . . A 189 ALA HB2 . 34080 1 977 . 1 1 95 95 ALA HB3 H 1 1.376 0.020 . 1 . . . A 189 ALA HB3 . 34080 1 978 . 1 1 95 95 ALA CA C 13 53.015 0.300 . 1 . . . A 189 ALA CA . 34080 1 979 . 1 1 95 95 ALA CB C 13 18.971 0.300 . 1 . . . A 189 ALA CB . 34080 1 980 . 1 1 95 95 ALA N N 15 124.954 0.300 . 1 . . . A 189 ALA N . 34080 1 981 . 1 1 96 96 SER H H 1 8.045 0.020 . 1 . . . A 190 SER H . 34080 1 982 . 1 1 96 96 SER HA H 1 4.407 0.020 . 1 . . . A 190 SER HA . 34080 1 983 . 1 1 96 96 SER HB2 H 1 3.856 0.020 . 2 . . . A 190 SER HB2 . 34080 1 984 . 1 1 96 96 SER HB3 H 1 3.856 0.020 . 2 . . . A 190 SER HB3 . 34080 1 985 . 1 1 96 96 SER CA C 13 58.788 0.300 . 1 . . . A 190 SER CA . 34080 1 986 . 1 1 96 96 SER CB C 13 63.592 0.300 . 1 . . . A 190 SER CB . 34080 1 987 . 1 1 96 96 SER N N 15 113.929 0.300 . 1 . . . A 190 SER N . 34080 1 988 . 1 1 97 97 SER H H 1 8.157 0.020 . 1 . . . A 191 SER H . 34080 1 989 . 1 1 97 97 SER N N 15 117.234 0.300 . 1 . . . A 191 SER N . 34080 1 990 . 1 1 101 101 GLY H H 1 8.246 0.020 . 1 . . . A 195 GLY H . 34080 1 991 . 1 1 101 101 GLY HA2 H 1 3.924 0.020 . 2 . . . A 195 GLY HA2 . 34080 1 992 . 1 1 101 101 GLY HA3 H 1 3.924 0.020 . 2 . . . A 195 GLY HA3 . 34080 1 993 . 1 1 101 101 GLY CA C 13 45.226 0.300 . 1 . . . A 195 GLY CA . 34080 1 994 . 1 1 101 101 GLY N N 15 114.239 0.300 . 1 . . . A 195 GLY N . 34080 1 995 . 1 1 102 102 ARG H H 1 7.748 0.020 . 1 . . . A 196 ARG H . 34080 1 996 . 1 1 102 102 ARG N N 15 125.366 0.300 . 1 . . . A 196 ARG N . 34080 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34080 _Assigned_chem_shift_list.ID 2 _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 '2D 1H-15N HSQC' . . . 34080 2 2 '2D 1H-13C HSQC aliphatic' . . . 34080 2 3 '2D 1H-13C HSQC aromatic' . . . 34080 2 4 '3D HNCA' . . . 34080 2 5 '3D HNCACB' . . . 34080 2 6 '3D CBCA(CO)NH' . . . 34080 2 7 '3D HNCO' . . . 34080 2 8 '3D HCc(CO)NH TOCSY' . . . 34080 2 9 '3D hCC(CO)NH TOCSY' . . . 34080 2 10 '3D 1H-15N NOESY' . . . 34080 2 11 '3D 1H-13C NOESY aliphatic' . . . 34080 2 12 '3D 1H-13C NOESY aromatic' . . . 34080 2 13 '3D F1eF3f 13C-filtered/edited NOESY' . . . 34080 2 14 '2D F1fF2f 13C-filtered NOESY' . . . 34080 2 15 '2D 1H-1H TOCSY' . . . 34080 2 16 '2D 1H-1H NOESY' . . . 34080 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 U H1' H 1 5.898 0.020 . 1 . . . B 1 U H1' . 34080 2 2 . 2 2 1 1 U H2' H 1 4.449 0.020 . 1 . . . B 1 U H2' . 34080 2 3 . 2 2 1 1 U H3' H 1 4.623 0.020 . 1 . . . B 1 U H3' . 34080 2 4 . 2 2 1 1 U H4' H 1 4.313 0.020 . 1 . . . B 1 U H4' . 34080 2 5 . 2 2 1 1 U H5 H 1 5.855 0.020 . 1 . . . B 1 U H5 . 34080 2 6 . 2 2 1 1 U H5' H 1 3.822 0.020 . 2 . . . B 1 U H5' . 34080 2 7 . 2 2 1 1 U H5'' H 1 3.895 0.020 . 2 . . . B 1 U H5'' . 34080 2 8 . 2 2 1 1 U H6 H 1 7.874 0.020 . 1 . . . B 1 U H6 . 34080 2 9 . 2 2 2 2 C H1' H 1 6.212 0.020 . 1 . . . B 2 C H1' . 34080 2 10 . 2 2 2 2 C H2' H 1 4.403 0.020 . 1 . . . B 2 C H2' . 34080 2 11 . 2 2 2 2 C H3' H 1 4.829 0.020 . 1 . . . B 2 C H3' . 34080 2 12 . 2 2 2 2 C H4' H 1 4.309 0.020 . 1 . . . B 2 C H4' . 34080 2 13 . 2 2 2 2 C H5 H 1 6.112 0.020 . 1 . . . B 2 C H5 . 34080 2 14 . 2 2 2 2 C H5' H 1 4.221 0.020 . 2 . . . B 2 C H5' . 34080 2 15 . 2 2 2 2 C H5'' H 1 4.107 0.020 . 2 . . . B 2 C H5'' . 34080 2 16 . 2 2 2 2 C H6 H 1 7.922 0.020 . 1 . . . B 2 C H6 . 34080 2 17 . 2 2 3 3 A H1' H 1 6.159 0.020 . 1 . . . B 3 A H1' . 34080 2 18 . 2 2 3 3 A H2 H 1 8.679 0.020 . 1 . . . B 3 A H2 . 34080 2 19 . 2 2 3 3 A H2' H 1 4.709 0.020 . 1 . . . B 3 A H2' . 34080 2 20 . 2 2 3 3 A H4' H 1 4.206 0.020 . 1 . . . B 3 A H4' . 34080 2 21 . 2 2 3 3 A H8 H 1 7.891 0.020 . 1 . . . B 3 A H8 . 34080 2 22 . 2 2 4 4 G H1' H 1 5.880 0.020 . 1 . . . B 4 G H1' . 34080 2 23 . 2 2 4 4 G H2' H 1 5.787 0.020 . 1 . . . B 4 G H2' . 34080 2 24 . 2 2 4 4 G H3' H 1 5.077 0.020 . 1 . . . B 4 G H3' . 34080 2 25 . 2 2 4 4 G H4' H 1 5.073 0.020 . 1 . . . B 4 G H4' . 34080 2 26 . 2 2 4 4 G H5' H 1 4.583 0.020 . 2 . . . B 4 G H5' . 34080 2 27 . 2 2 4 4 G H5'' H 1 4.666 0.020 . 2 . . . B 4 G H5'' . 34080 2 28 . 2 2 4 4 G H8 H 1 7.649 0.020 . 1 . . . B 4 G H8 . 34080 2 29 . 2 2 5 5 U H1' H 1 5.943 0.020 . 1 . . . B 5 U H1' . 34080 2 30 . 2 2 5 5 U H2' H 1 4.537 0.020 . 1 . . . B 5 U H2' . 34080 2 31 . 2 2 5 5 U H3' H 1 4.519 0.020 . 1 . . . B 5 U H3' . 34080 2 32 . 2 2 5 5 U H4' H 1 4.509 0.020 . 1 . . . B 5 U H4' . 34080 2 33 . 2 2 5 5 U H5 H 1 5.992 0.020 . 1 . . . B 5 U H5 . 34080 2 34 . 2 2 5 5 U H5' H 1 4.250 0.020 . 2 . . . B 5 U H5' . 34080 2 35 . 2 2 5 5 U H5'' H 1 4.364 0.020 . 2 . . . B 5 U H5'' . 34080 2 36 . 2 2 5 5 U H6 H 1 7.910 0.020 . 1 . . . B 5 U H6 . 34080 2 37 . 2 2 6 6 U H1' H 1 5.853 0.020 . 1 . . . B 6 U H1' . 34080 2 38 . 2 2 6 6 U H2' H 1 4.262 0.020 . 1 . . . B 6 U H2' . 34080 2 39 . 2 2 6 6 U H4' H 1 4.226 0.020 . 1 . . . B 6 U H4' . 34080 2 40 . 2 2 6 6 U H5 H 1 5.763 0.020 . 1 . . . B 6 U H5 . 34080 2 41 . 2 2 6 6 U H5' H 1 4.130 0.020 . 2 . . . B 6 U H5' . 34080 2 42 . 2 2 6 6 U H5'' H 1 4.272 0.020 . 2 . . . B 6 U H5'' . 34080 2 43 . 2 2 6 6 U H6 H 1 7.824 0.020 . 1 . . . B 6 U H6 . 34080 2 stop_ save_