data_25831 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25831 _Entry.Title ; solution structure of the complex of microRNA 20b pre-element with Rbfox RRM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-30 _Entry.Accession_date 2015-09-30 _Entry.Last_release_date 2016-04-12 _Entry.Original_release_date 2016-04-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 Fan Yang . . . . 25831 2 Yu Chen . . . . 25831 3 Gabriele Varani . . . . 25831 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25831 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25831 RRM . 25831 microRNA . 25831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 566 25831 '15N chemical shifts' 115 25831 '1H chemical shifts' 838 25831 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 . . 2016-07-22 2015-09-30 update BMRB 'update entry citation' 25831 1 . . 2016-04-12 2015-09-30 original author 'original release' 25831 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25826 'microRNA 20b pre-element' 25831 PDB 2N82 'BMRB Entry Tracking System' 25831 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25831 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27001519 _Citation.Full_citation . _Citation.Title ; Rbfox proteins regulate microRNA biogenesis by sequence-specific binding to their precursors and target downstream Dicer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4381 _Citation.Page_last 4395 _Citation.Year 2016 _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 Yu Chen . . . . 25831 1 2 Lorena Zubovic . . . . 25831 1 3 Fan Yang . . . . 25831 1 4 Katherine Godin . . . . 25831 1 5 Tom Pavelitz . . . . 25831 1 6 Javier Castellanos . . . . 25831 1 7 Paolo Macchi . . . . 25831 1 8 Gabriele Varani . . . . 25831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25831 _Assembly.ID 1 _Assembly.Name 'complex of microRNA 20b pre-element with Rbfox RRM' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 miR-20b 1 $miR-20b A . yes native no no . . . 25831 1 2 Rbfox_RRM 2 $Rbfox_RRM B . yes native no no . . . 25831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_miR-20b _Entity.Sf_category entity _Entity.Sf_framecode miR-20b _Entity.Entry_ID 25831 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name miR-20b _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGUAGUUUUGGCAUGACUCU ACC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7318.388 _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 19 G . 25831 1 2 20 G . 25831 1 3 21 U . 25831 1 4 22 A . 25831 1 5 23 G . 25831 1 6 24 U . 25831 1 7 25 U . 25831 1 8 26 U . 25831 1 9 27 U . 25831 1 10 28 G . 25831 1 11 29 G . 25831 1 12 30 C . 25831 1 13 31 A . 25831 1 14 32 U . 25831 1 15 33 G . 25831 1 16 34 A . 25831 1 17 35 C . 25831 1 18 36 U . 25831 1 19 37 C . 25831 1 20 38 U . 25831 1 21 39 A . 25831 1 22 40 C . 25831 1 23 41 C . 25831 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 . G 1 1 25831 1 . G 2 2 25831 1 . U 3 3 25831 1 . A 4 4 25831 1 . G 5 5 25831 1 . U 6 6 25831 1 . U 7 7 25831 1 . U 8 8 25831 1 . U 9 9 25831 1 . G 10 10 25831 1 . G 11 11 25831 1 . C 12 12 25831 1 . A 13 13 25831 1 . U 14 14 25831 1 . G 15 15 25831 1 . A 16 16 25831 1 . C 17 17 25831 1 . U 18 18 25831 1 . C 19 19 25831 1 . U 20 20 25831 1 . A 21 21 25831 1 . C 22 22 25831 1 . C 23 23 25831 1 stop_ save_ save_Rbfox_RRM _Entity.Sf_category entity _Entity.Sf_framecode Rbfox_RRM _Entity.Entry_ID 25831 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Rbfox_RRM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMNTENKSQPKRLHVSNI PFRFRDPDLRQMFGQFGKIL DVEIIFNERGSKGFGFVTFE NSADADRAREKLHGTVVEGR KIEVNNATARVMTNKKTVNP YTNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 105 GLY . 25831 2 2 106 SER . 25831 2 3 107 HIS . 25831 2 4 108 MET . 25831 2 5 109 ASN . 25831 2 6 110 THR . 25831 2 7 111 GLU . 25831 2 8 112 ASN . 25831 2 9 113 LYS . 25831 2 10 114 SER . 25831 2 11 115 GLN . 25831 2 12 116 PRO . 25831 2 13 117 LYS . 25831 2 14 118 ARG . 25831 2 15 119 LEU . 25831 2 16 120 HIS . 25831 2 17 121 VAL . 25831 2 18 122 SER . 25831 2 19 123 ASN . 25831 2 20 124 ILE . 25831 2 21 125 PRO . 25831 2 22 126 PHE . 25831 2 23 127 ARG . 25831 2 24 128 PHE . 25831 2 25 129 ARG . 25831 2 26 130 ASP . 25831 2 27 131 PRO . 25831 2 28 132 ASP . 25831 2 29 133 LEU . 25831 2 30 134 ARG . 25831 2 31 135 GLN . 25831 2 32 136 MET . 25831 2 33 137 PHE . 25831 2 34 138 GLY . 25831 2 35 139 GLN . 25831 2 36 140 PHE . 25831 2 37 141 GLY . 25831 2 38 142 LYS . 25831 2 39 143 ILE . 25831 2 40 144 LEU . 25831 2 41 145 ASP . 25831 2 42 146 VAL . 25831 2 43 147 GLU . 25831 2 44 148 ILE . 25831 2 45 149 ILE . 25831 2 46 150 PHE . 25831 2 47 151 ASN . 25831 2 48 152 GLU . 25831 2 49 153 ARG . 25831 2 50 154 GLY . 25831 2 51 155 SER . 25831 2 52 156 LYS . 25831 2 53 157 GLY . 25831 2 54 158 PHE . 25831 2 55 159 GLY . 25831 2 56 160 PHE . 25831 2 57 161 VAL . 25831 2 58 162 THR . 25831 2 59 163 PHE . 25831 2 60 164 GLU . 25831 2 61 165 ASN . 25831 2 62 166 SER . 25831 2 63 167 ALA . 25831 2 64 168 ASP . 25831 2 65 169 ALA . 25831 2 66 170 ASP . 25831 2 67 171 ARG . 25831 2 68 172 ALA . 25831 2 69 173 ARG . 25831 2 70 174 GLU . 25831 2 71 175 LYS . 25831 2 72 176 LEU . 25831 2 73 177 HIS . 25831 2 74 178 GLY . 25831 2 75 179 THR . 25831 2 76 180 VAL . 25831 2 77 181 VAL . 25831 2 78 182 GLU . 25831 2 79 183 GLY . 25831 2 80 184 ARG . 25831 2 81 185 LYS . 25831 2 82 186 ILE . 25831 2 83 187 GLU . 25831 2 84 188 VAL . 25831 2 85 189 ASN . 25831 2 86 190 ASN . 25831 2 87 191 ALA . 25831 2 88 192 THR . 25831 2 89 193 ALA . 25831 2 90 194 ARG . 25831 2 91 195 VAL . 25831 2 92 196 MET . 25831 2 93 197 THR . 25831 2 94 198 ASN . 25831 2 95 199 LYS . 25831 2 96 200 LYS . 25831 2 97 201 THR . 25831 2 98 202 VAL . 25831 2 99 203 ASN . 25831 2 100 204 PRO . 25831 2 101 205 TYR . 25831 2 102 206 THR . 25831 2 103 207 ASN . 25831 2 104 208 GLY . 25831 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 . GLY 1 1 25831 2 . SER 2 2 25831 2 . HIS 3 3 25831 2 . MET 4 4 25831 2 . ASN 5 5 25831 2 . THR 6 6 25831 2 . GLU 7 7 25831 2 . ASN 8 8 25831 2 . LYS 9 9 25831 2 . SER 10 10 25831 2 . GLN 11 11 25831 2 . PRO 12 12 25831 2 . LYS 13 13 25831 2 . ARG 14 14 25831 2 . LEU 15 15 25831 2 . HIS 16 16 25831 2 . VAL 17 17 25831 2 . SER 18 18 25831 2 . ASN 19 19 25831 2 . ILE 20 20 25831 2 . PRO 21 21 25831 2 . PHE 22 22 25831 2 . ARG 23 23 25831 2 . PHE 24 24 25831 2 . ARG 25 25 25831 2 . ASP 26 26 25831 2 . PRO 27 27 25831 2 . ASP 28 28 25831 2 . LEU 29 29 25831 2 . ARG 30 30 25831 2 . GLN 31 31 25831 2 . MET 32 32 25831 2 . PHE 33 33 25831 2 . GLY 34 34 25831 2 . GLN 35 35 25831 2 . PHE 36 36 25831 2 . GLY 37 37 25831 2 . LYS 38 38 25831 2 . ILE 39 39 25831 2 . LEU 40 40 25831 2 . ASP 41 41 25831 2 . VAL 42 42 25831 2 . GLU 43 43 25831 2 . ILE 44 44 25831 2 . ILE 45 45 25831 2 . PHE 46 46 25831 2 . ASN 47 47 25831 2 . GLU 48 48 25831 2 . ARG 49 49 25831 2 . GLY 50 50 25831 2 . SER 51 51 25831 2 . LYS 52 52 25831 2 . GLY 53 53 25831 2 . PHE 54 54 25831 2 . GLY 55 55 25831 2 . PHE 56 56 25831 2 . VAL 57 57 25831 2 . THR 58 58 25831 2 . PHE 59 59 25831 2 . GLU 60 60 25831 2 . ASN 61 61 25831 2 . SER 62 62 25831 2 . ALA 63 63 25831 2 . ASP 64 64 25831 2 . ALA 65 65 25831 2 . ASP 66 66 25831 2 . ARG 67 67 25831 2 . ALA 68 68 25831 2 . ARG 69 69 25831 2 . GLU 70 70 25831 2 . LYS 71 71 25831 2 . LEU 72 72 25831 2 . HIS 73 73 25831 2 . GLY 74 74 25831 2 . THR 75 75 25831 2 . VAL 76 76 25831 2 . VAL 77 77 25831 2 . GLU 78 78 25831 2 . GLY 79 79 25831 2 . ARG 80 80 25831 2 . LYS 81 81 25831 2 . ILE 82 82 25831 2 . GLU 83 83 25831 2 . VAL 84 84 25831 2 . ASN 85 85 25831 2 . ASN 86 86 25831 2 . ALA 87 87 25831 2 . THR 88 88 25831 2 . ALA 89 89 25831 2 . ARG 90 90 25831 2 . VAL 91 91 25831 2 . MET 92 92 25831 2 . THR 93 93 25831 2 . ASN 94 94 25831 2 . LYS 95 95 25831 2 . LYS 96 96 25831 2 . THR 97 97 25831 2 . VAL 98 98 25831 2 . ASN 99 99 25831 2 . PRO 100 100 25831 2 . TYR 101 101 25831 2 . THR 102 102 25831 2 . ASN 103 103 25831 2 . GLY 104 104 25831 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 25831 _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 2 $Rbfox_RRM . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25831 1 2 1 $miR-20b . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25831 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 25831 _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 $miR-20b . 'T7 in vitro transcription' NA . . . . . . . . NA . . NA . . . 25831 1 2 2 $Rbfox_RRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . PET28 . . . 25831 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25831 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 miR-20b 'natural abundance' . . 1 $miR-20b . . 1 . . mM . . . . 25831 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25831 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25831 1 4 'Rbfox RRM' '[U-99% 13C; U-99% 15N]' . . 2 $Rbfox_RRM . . 1 . . mM . . . . 25831 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25831 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25831 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25831 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 miR-20b 'natural abundance' . . 1 $miR-20b . . 1 . . mM . . . . 25831 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25831 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25831 2 4 'Rbfox RRM' '[U-99% 13C; U-99% 15N]' . . 2 $Rbfox_RRM . . 1 . . mM . . . . 25831 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25831 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25831 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 miR-20b '[U-99% 13C; U-99% 15N]' . . 1 $miR-20b . . 1 . . mM . . . . 25831 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25831 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25831 3 4 'Rbfox RRM' 'natural abundance' . . 2 $Rbfox_RRM . . 1 . . mM . . . . 25831 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25831 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25831 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 miR-20b '[U-99% 13C; U-99% 15N]' . . 1 $miR-20b . . 1 . . mM . . . . 25831 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25831 4 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25831 4 4 'Rbfox RRM' 'natural abundance' . . 2 $Rbfox_RRM . . 1 . . mM . . . . 25831 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25831 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25831 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 25831 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 25831 1 pressure 1 . atm 25831 1 temperature 279 . K 25831 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25831 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 25831 2 pressure 1 . atm 25831 2 temperature 298 . K 25831 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25831 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25831 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25831 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25831 _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' . . 25831 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25831 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25831 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25831 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25831 3 'data analysis' 25831 3 'peak picking' 25831 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25831 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25831 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25831 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25831 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25831 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25831 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25831 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25831 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25831 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25831 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25831 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25831 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25831 1 2 spectrometer_2 Bruker Avance . 800 . . . 25831 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 25831 _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 F1-, F2-filtered 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25831 1 2 '2D F1-, F2-filtered 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 13 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25831 1 17 '3D 13C F1-filtered, F3-edited NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 25831 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25831 _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 0.00 na indirect 0.251449530 . . . . . 25831 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25831 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25831 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25831 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D F1-, F2-filtered 1H-1H NOESY' . . . 25831 1 4 '2D 1H-13C HSQC' . . . 25831 1 6 '2D 1H-15N HSQC' . . . 25831 1 14 '2D 1H-13C HSQC' . . . 25831 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1' H 1 5.835 0.002 . 1 . . . . 19 G H1' . 25831 1 2 . 1 1 1 1 G H2' H 1 4.940 0.002 . 2 . . . . 19 G H2' . 25831 1 3 . 1 1 1 1 G H3' H 1 4.703 0.001 . 1 . . . . 19 G H3' . 25831 1 4 . 1 1 1 1 G H4' H 1 4.586 0.002 . 1 . . . . 19 G H4' . 25831 1 5 . 1 1 1 1 G H5' H 1 4.287 0.007 . 2 . . . . 19 G H5' . 25831 1 6 . 1 1 1 1 G H5'' H 1 4.460 0.018 . 2 . . . . 19 G H5'' . 25831 1 7 . 1 1 1 1 G H8 H 1 8.144 0.002 . 1 . . . . 19 G H8 . 25831 1 8 . 1 1 1 1 G C1' C 13 91.856 0.000 . 1 . . . . 19 G C1' . 25831 1 9 . 1 1 1 1 G C2' C 13 75.135 0.000 . 1 . . . . 19 G C2' . 25831 1 10 . 1 1 1 1 G C3' C 13 74.522 0.000 . 1 . . . . 19 G C3' . 25831 1 11 . 1 1 1 1 G C4' C 13 83.258 0.000 . 1 . . . . 19 G C4' . 25831 1 12 . 1 1 1 1 G C5' C 13 66.972 0.007 . 1 . . . . 19 G C5' . 25831 1 13 . 1 1 1 1 G C8 C 13 138.864 0.000 . 1 . . . . 19 G C8 . 25831 1 14 . 1 1 2 2 G H1' H 1 5.950 0.007 . 1 . . . . 20 G H1' . 25831 1 15 . 1 1 2 2 G H2' H 1 4.524 0.000 . 2 . . . . 20 G H2' . 25831 1 16 . 1 1 2 2 G H4' H 1 4.550 0.000 . 1 . . . . 20 G H4' . 25831 1 17 . 1 1 2 2 G H5' H 1 4.260 0.000 . 2 . . . . 20 G H5' . 25831 1 18 . 1 1 2 2 G H8 H 1 7.585 0.014 . 1 . . . . 20 G H8 . 25831 1 19 . 1 1 2 2 G C1' C 13 93.136 0.000 . 1 . . . . 20 G C1' . 25831 1 20 . 1 1 2 2 G C2' C 13 75.352 0.000 . 1 . . . . 20 G C2' . 25831 1 21 . 1 1 2 2 G C4' C 13 82.670 0.000 . 1 . . . . 20 G C4' . 25831 1 22 . 1 1 2 2 G C5' C 13 66.405 0.000 . 1 . . . . 20 G C5' . 25831 1 23 . 1 1 2 2 G C8 C 13 136.915 0.000 . 1 . . . . 20 G C8 . 25831 1 24 . 1 1 3 3 U H2' H 1 4.532 0.000 . 1 . . . . 21 U H2' . 25831 1 25 . 1 1 3 3 U H4' H 1 4.480 0.000 . 1 . . . . 21 U H4' . 25831 1 26 . 1 1 3 3 U H5 H 1 5.034 0.002 . 1 . . . . 21 U H5 . 25831 1 27 . 1 1 3 3 U H6 H 1 7.724 0.001 . 1 . . . . 21 U H6 . 25831 1 28 . 1 1 3 3 U C2' C 13 75.401 0.000 . 1 . . . . 21 U C2' . 25831 1 29 . 1 1 3 3 U C4' C 13 83.054 0.000 . 1 . . . . 21 U C4' . 25831 1 30 . 1 1 3 3 U C5 C 13 102.898 0.000 . 1 . . . . 21 U C5 . 25831 1 31 . 1 1 4 4 A H1' H 1 6.011 0.000 . 1 . . . . 22 A H1' . 25831 1 32 . 1 1 4 4 A H2 H 1 6.869 0.008 . 1 . . . . 22 A H2 . 25831 1 33 . 1 1 4 4 A H8 H 1 8.113 0.000 . 1 . . . . 22 A H8 . 25831 1 34 . 1 1 4 4 A C2 C 13 152.657 0.000 . 1 . . . . 22 A C2 . 25831 1 35 . 1 1 4 4 A C8 C 13 139.489 0.000 . 1 . . . . 22 A C8 . 25831 1 36 . 1 1 5 5 G H1' H 1 5.572 0.003 . 1 . . . . 23 G H1' . 25831 1 37 . 1 1 5 5 G H2' H 1 4.311 0.015 . 2 . . . . 23 G H2' . 25831 1 38 . 1 1 5 5 G H3' H 1 4.329 0.016 . 1 . . . . 23 G H3' . 25831 1 39 . 1 1 5 5 G H4' H 1 4.447 0.005 . 1 . . . . 23 G H4' . 25831 1 40 . 1 1 5 5 G H5' H 1 4.051 0.007 . 2 . . . . 23 G H5' . 25831 1 41 . 1 1 5 5 G H5'' H 1 4.457 0.012 . 2 . . . . 23 G H5'' . 25831 1 42 . 1 1 5 5 G H8 H 1 7.186 0.000 . 1 . . . . 23 G H8 . 25831 1 43 . 1 1 5 5 G C1' C 13 92.582 0.000 . 1 . . . . 23 G C1' . 25831 1 44 . 1 1 5 5 G C2' C 13 75.538 0.000 . 1 . . . . 23 G C2' . 25831 1 45 . 1 1 5 5 G C3' C 13 73.250 0.000 . 1 . . . . 23 G C3' . 25831 1 46 . 1 1 5 5 G C4' C 13 82.313 0.000 . 1 . . . . 23 G C4' . 25831 1 47 . 1 1 5 5 G C5' C 13 65.923 0.006 . 1 . . . . 23 G C5' . 25831 1 48 . 1 1 5 5 G C8 C 13 136.054 0.000 . 1 . . . . 23 G C8 . 25831 1 49 . 1 1 6 6 U H1' H 1 5.588 0.000 . 1 . . . . 24 U H1' . 25831 1 50 . 1 1 6 6 U H2' H 1 3.914 0.017 . 1 . . . . 24 U H2' . 25831 1 51 . 1 1 6 6 U H3' H 1 4.443 0.004 . 1 . . . . 24 U H3' . 25831 1 52 . 1 1 6 6 U H4' H 1 4.334 0.000 . 1 . . . . 24 U H4' . 25831 1 53 . 1 1 6 6 U H5 H 1 5.212 0.030 . 1 . . . . 24 U H5 . 25831 1 54 . 1 1 6 6 U H5' H 1 4.451 0.000 . 2 . . . . 24 U H5' . 25831 1 55 . 1 1 6 6 U H5'' H 1 4.077 0.004 . 2 . . . . 24 U H5'' . 25831 1 56 . 1 1 6 6 U H6 H 1 7.466 0.019 . 1 . . . . 24 U H6 . 25831 1 57 . 1 1 6 6 U C1' C 13 93.232 0.000 . 1 . . . . 24 U C1' . 25831 1 58 . 1 1 6 6 U C2' C 13 76.277 0.000 . 1 . . . . 24 U C2' . 25831 1 59 . 1 1 6 6 U C3' C 13 74.396 0.000 . 1 . . . . 24 U C3' . 25831 1 60 . 1 1 6 6 U C4' C 13 83.780 0.000 . 1 . . . . 24 U C4' . 25831 1 61 . 1 1 6 6 U C5 C 13 104.099 0.000 . 1 . . . . 24 U C5 . 25831 1 62 . 1 1 6 6 U C5' C 13 65.578 0.027 . 1 . . . . 24 U C5' . 25831 1 63 . 1 1 6 6 U C6 C 13 141.336 0.000 . 1 . . . . 24 U C6 . 25831 1 64 . 1 1 7 7 U H1' H 1 5.691 0.000 . 1 . . . . 25 U H1' . 25831 1 65 . 1 1 7 7 U H2' H 1 4.313 0.005 . 1 . . . . 25 U H2' . 25831 1 66 . 1 1 7 7 U H3' H 1 4.632 0.002 . 1 . . . . 25 U H3' . 25831 1 67 . 1 1 7 7 U H5 H 1 5.810 0.004 . 1 . . . . 25 U H5 . 25831 1 68 . 1 1 7 7 U H6 H 1 7.624 0.000 . 1 . . . . 25 U H6 . 25831 1 69 . 1 1 7 7 U C1' C 13 92.818 0.000 . 1 . . . . 25 U C1' . 25831 1 70 . 1 1 7 7 U C2' C 13 75.591 0.000 . 1 . . . . 25 U C2' . 25831 1 71 . 1 1 7 7 U C3' C 13 76.239 0.000 . 1 . . . . 25 U C3' . 25831 1 72 . 1 1 7 7 U C5 C 13 105.228 0.000 . 1 . . . . 25 U C5 . 25831 1 73 . 1 1 7 7 U C6 C 13 143.191 0.000 . 1 . . . . 25 U C6 . 25831 1 74 . 1 1 8 8 U H1' H 1 5.915 0.007 . 1 . . . . 26 U H1' . 25831 1 75 . 1 1 8 8 U H2' H 1 4.376 0.001 . 1 . . . . 26 U H2' . 25831 1 76 . 1 1 8 8 U H3' H 1 4.623 0.000 . 1 . . . . 26 U H3' . 25831 1 77 . 1 1 8 8 U H4' H 1 4.377 0.007 . 1 . . . . 26 U H4' . 25831 1 78 . 1 1 8 8 U H5 H 1 5.919 0.004 . 1 . . . . 26 U H5 . 25831 1 79 . 1 1 8 8 U H5' H 1 4.168 0.006 . 2 . . . . 26 U H5' . 25831 1 80 . 1 1 8 8 U H5'' H 1 4.093 0.012 . 2 . . . . 26 U H5'' . 25831 1 81 . 1 1 8 8 U H6 H 1 7.802 0.006 . 1 . . . . 26 U H6 . 25831 1 82 . 1 1 8 8 U C1' C 13 91.153 0.000 . 1 . . . . 26 U C1' . 25831 1 83 . 1 1 8 8 U C2' C 13 75.217 0.000 . 1 . . . . 26 U C2' . 25831 1 84 . 1 1 8 8 U C3' C 13 77.001 0.000 . 1 . . . . 26 U C3' . 25831 1 85 . 1 1 8 8 U C4' C 13 85.251 0.000 . 1 . . . . 26 U C4' . 25831 1 86 . 1 1 8 8 U C5 C 13 105.624 0.000 . 1 . . . . 26 U C5 . 25831 1 87 . 1 1 8 8 U C5' C 13 67.921 0.000 . 1 . . . . 26 U C5' . 25831 1 88 . 1 1 8 8 U C6 C 13 143.849 0.000 . 1 . . . . 26 U C6 . 25831 1 89 . 1 1 9 9 U H1' H 1 5.813 0.002 . 1 . . . . 27 U H1' . 25831 1 90 . 1 1 9 9 U H2' H 1 4.221 0.007 . 1 . . . . 27 U H2' . 25831 1 91 . 1 1 9 9 U H3' H 1 4.566 0.000 . 1 . . . . 27 U H3' . 25831 1 92 . 1 1 9 9 U H4' H 1 4.236 0.002 . 1 . . . . 27 U H4' . 25831 1 93 . 1 1 9 9 U H5 H 1 5.878 0.000 . 1 . . . . 27 U H5 . 25831 1 94 . 1 1 9 9 U H5' H 1 3.831 0.000 . 2 . . . . 27 U H5' . 25831 1 95 . 1 1 9 9 U H5'' H 1 3.947 0.007 . 2 . . . . 27 U H5'' . 25831 1 96 . 1 1 9 9 U H6 H 1 7.719 0.008 . 1 . . . . 27 U H6 . 25831 1 97 . 1 1 9 9 U C1' C 13 89.791 0.000 . 1 . . . . 27 U C1' . 25831 1 98 . 1 1 9 9 U C2' C 13 75.794 0.000 . 1 . . . . 27 U C2' . 25831 1 99 . 1 1 9 9 U C3' C 13 77.127 0.000 . 1 . . . . 27 U C3' . 25831 1 100 . 1 1 9 9 U C4' C 13 84.927 0.000 . 1 . . . . 27 U C4' . 25831 1 101 . 1 1 9 9 U C5 C 13 104.995 0.000 . 1 . . . . 27 U C5 . 25831 1 102 . 1 1 9 9 U C5' C 13 67.668 0.002 . 1 . . . . 27 U C5' . 25831 1 103 . 1 1 9 9 U C6 C 13 143.960 0.000 . 1 . . . . 27 U C6 . 25831 1 104 . 1 1 10 10 G H1' H 1 5.702 0.011 . 1 . . . . 28 G H1' . 25831 1 105 . 1 1 10 10 G H2' H 1 4.531 0.013 . 2 . . . . 28 G H2' . 25831 1 106 . 1 1 10 10 G H3' H 1 5.029 0.004 . 1 . . . . 28 G H3' . 25831 1 107 . 1 1 10 10 G H4' H 1 4.409 0.007 . 1 . . . . 28 G H4' . 25831 1 108 . 1 1 10 10 G H5' H 1 4.244 0.006 . 2 . . . . 28 G H5' . 25831 1 109 . 1 1 10 10 G H8 H 1 7.827 0.015 . 1 . . . . 28 G H8 . 25831 1 110 . 1 1 10 10 G C1' C 13 91.925 0.000 . 1 . . . . 28 G C1' . 25831 1 111 . 1 1 10 10 G C2' C 13 75.239 0.000 . 1 . . . . 28 G C2' . 25831 1 112 . 1 1 10 10 G C3' C 13 76.774 0.000 . 1 . . . . 28 G C3' . 25831 1 113 . 1 1 10 10 G C4' C 13 85.186 0.000 . 1 . . . . 28 G C4' . 25831 1 114 . 1 1 10 10 G C5' C 13 68.181 0.000 . 1 . . . . 28 G C5' . 25831 1 115 . 1 1 10 10 G C8 C 13 141.623 0.000 . 1 . . . . 28 G C8 . 25831 1 116 . 1 1 11 11 G H1' H 1 5.851 0.004 . 1 . . . . 29 G H1' . 25831 1 117 . 1 1 11 11 G H2' H 1 5.243 0.002 . 2 . . . . 29 G H2' . 25831 1 118 . 1 1 11 11 G H3' H 1 4.895 0.002 . 1 . . . . 29 G H3' . 25831 1 119 . 1 1 11 11 G H4' H 1 4.424 0.000 . 1 . . . . 29 G H4' . 25831 1 120 . 1 1 11 11 G H5' H 1 3.822 0.002 . 2 . . . . 29 G H5' . 25831 1 121 . 1 1 11 11 G H5'' H 1 4.130 0.002 . 2 . . . . 29 G H5'' . 25831 1 122 . 1 1 11 11 G H8 H 1 8.277 0.003 . 1 . . . . 29 G H8 . 25831 1 123 . 1 1 11 11 G C1' C 13 87.796 0.000 . 1 . . . . 29 G C1' . 25831 1 124 . 1 1 11 11 G C2' C 13 73.933 0.000 . 1 . . . . 29 G C2' . 25831 1 125 . 1 1 11 11 G C3' C 13 79.696 0.000 . 1 . . . . 29 G C3' . 25831 1 126 . 1 1 11 11 G C4' C 13 85.830 0.000 . 1 . . . . 29 G C4' . 25831 1 127 . 1 1 11 11 G C5' C 13 68.233 0.018 . 1 . . . . 29 G C5' . 25831 1 128 . 1 1 11 11 G C8 C 13 138.517 0.000 . 1 . . . . 29 G C8 . 25831 1 129 . 1 1 12 12 C H1' H 1 6.069 0.002 . 1 . . . . 30 C H1' . 25831 1 130 . 1 1 12 12 C H2' H 1 3.398 0.003 . 2 . . . . 30 C H2' . 25831 1 131 . 1 1 12 12 C H3' H 1 3.212 0.003 . 1 . . . . 30 C H3' . 25831 1 132 . 1 1 12 12 C H4' H 1 4.411 0.003 . 1 . . . . 30 C H4' . 25831 1 133 . 1 1 12 12 C H5 H 1 5.808 0.003 . 1 . . . . 30 C H5 . 25831 1 134 . 1 1 12 12 C H5' H 1 4.259 0.003 . 2 . . . . 30 C H5' . 25831 1 135 . 1 1 12 12 C H5'' H 1 3.594 0.004 . 2 . . . . 30 C H5'' . 25831 1 136 . 1 1 12 12 C H6 H 1 7.788 0.004 . 1 . . . . 30 C H6 . 25831 1 137 . 1 1 12 12 C C1' C 13 86.855 0.000 . 1 . . . . 30 C C1' . 25831 1 138 . 1 1 12 12 C C2' C 13 74.481 0.000 . 1 . . . . 30 C C2' . 25831 1 139 . 1 1 12 12 C C3' C 13 74.219 0.000 . 1 . . . . 30 C C3' . 25831 1 140 . 1 1 12 12 C C4' C 13 87.662 0.000 . 1 . . . . 30 C C4' . 25831 1 141 . 1 1 12 12 C C5 C 13 100.424 0.000 . 1 . . . . 30 C C5 . 25831 1 142 . 1 1 12 12 C C5' C 13 68.924 0.041 . 1 . . . . 30 C C5' . 25831 1 143 . 1 1 12 12 C C6 C 13 142.854 0.000 . 1 . . . . 30 C C6 . 25831 1 144 . 1 1 13 13 A H1' H 1 6.125 0.004 . 1 . . . . 31 A H1' . 25831 1 145 . 1 1 13 13 A H2 H 1 8.628 0.003 . 1 . . . . 31 A H2 . 25831 1 146 . 1 1 13 13 A H2' H 1 5.379 0.003 . 2 . . . . 31 A H2' . 25831 1 147 . 1 1 13 13 A H3' H 1 4.809 0.004 . 1 . . . . 31 A H3' . 25831 1 148 . 1 1 13 13 A H4' H 1 4.414 0.001 . 1 . . . . 31 A H4' . 25831 1 149 . 1 1 13 13 A H5' H 1 3.973 0.000 . 2 . . . . 31 A H5' . 25831 1 150 . 1 1 13 13 A H5'' H 1 4.275 0.000 . 2 . . . . 31 A H5'' . 25831 1 151 . 1 1 13 13 A H8 H 1 8.720 0.001 . 1 . . . . 31 A H8 . 25831 1 152 . 1 1 13 13 A C1' C 13 87.840 0.000 . 1 . . . . 31 A C1' . 25831 1 153 . 1 1 13 13 A C2 C 13 156.708 0.000 . 1 . . . . 31 A C2 . 25831 1 154 . 1 1 13 13 A C2' C 13 73.171 0.000 . 1 . . . . 31 A C2' . 25831 1 155 . 1 1 13 13 A C3' C 13 79.519 0.000 . 1 . . . . 31 A C3' . 25831 1 156 . 1 1 13 13 A C4' C 13 87.690 0.000 . 1 . . . . 31 A C4' . 25831 1 157 . 1 1 13 13 A C5' C 13 67.301 0.005 . 1 . . . . 31 A C5' . 25831 1 158 . 1 1 13 13 A C8 C 13 141.408 0.000 . 1 . . . . 31 A C8 . 25831 1 159 . 1 1 14 14 U H1' H 1 5.932 0.005 . 1 . . . . 32 U H1' . 25831 1 160 . 1 1 14 14 U H2' H 1 4.227 0.004 . 1 . . . . 32 U H2' . 25831 1 161 . 1 1 14 14 U H3' H 1 4.731 0.000 . 1 . . . . 32 U H3' . 25831 1 162 . 1 1 14 14 U H4' H 1 4.034 0.005 . 1 . . . . 32 U H4' . 25831 1 163 . 1 1 14 14 U H5 H 1 5.771 0.005 . 1 . . . . 32 U H5 . 25831 1 164 . 1 1 14 14 U H5' H 1 3.207 0.006 . 2 . . . . 32 U H5' . 25831 1 165 . 1 1 14 14 U H5'' H 1 3.832 0.009 . 2 . . . . 32 U H5'' . 25831 1 166 . 1 1 14 14 U H6 H 1 7.424 0.006 . 1 . . . . 32 U H6 . 25831 1 167 . 1 1 14 14 U C1' C 13 88.227 0.000 . 1 . . . . 32 U C1' . 25831 1 168 . 1 1 14 14 U C2' C 13 76.106 0.000 . 1 . . . . 32 U C2' . 25831 1 169 . 1 1 14 14 U C3' C 13 79.409 0.000 . 1 . . . . 32 U C3' . 25831 1 170 . 1 1 14 14 U C4' C 13 86.948 0.000 . 1 . . . . 32 U C4' . 25831 1 171 . 1 1 14 14 U C5 C 13 106.436 0.000 . 1 . . . . 32 U C5 . 25831 1 172 . 1 1 14 14 U C5' C 13 68.082 0.005 . 1 . . . . 32 U C5' . 25831 1 173 . 1 1 14 14 U C6 C 13 143.235 0.000 . 1 . . . . 32 U C6 . 25831 1 174 . 1 1 15 15 G H1' H 1 5.844 0.004 . 1 . . . . 33 G H1' . 25831 1 175 . 1 1 15 15 G H2' H 1 5.752 0.023 . 2 . . . . 33 G H2' . 25831 1 176 . 1 1 15 15 G H3' H 1 5.033 0.004 . 1 . . . . 33 G H3' . 25831 1 177 . 1 1 15 15 G H4' H 1 4.740 0.018 . 1 . . . . 33 G H4' . 25831 1 178 . 1 1 15 15 G H5' H 1 4.369 0.000 . 2 . . . . 33 G H5' . 25831 1 179 . 1 1 15 15 G H5'' H 1 4.491 0.000 . 2 . . . . 33 G H5'' . 25831 1 180 . 1 1 15 15 G H8 H 1 7.641 0.003 . 1 . . . . 33 G H8 . 25831 1 181 . 1 1 15 15 G C1' C 13 91.489 0.000 . 1 . . . . 33 G C1' . 25831 1 182 . 1 1 15 15 G C2' C 13 73.238 0.000 . 1 . . . . 33 G C2' . 25831 1 183 . 1 1 15 15 G C3' C 13 78.454 0.000 . 1 . . . . 33 G C3' . 25831 1 184 . 1 1 15 15 G C4' C 13 86.409 0.000 . 1 . . . . 33 G C4' . 25831 1 185 . 1 1 15 15 G C5' C 13 68.099 0.007 . 1 . . . . 33 G C5' . 25831 1 186 . 1 1 15 15 G C8 C 13 142.616 0.000 . 1 . . . . 33 G C8 . 25831 1 187 . 1 1 16 16 A H1' H 1 6.231 0.008 . 1 . . . . 34 A H1' . 25831 1 188 . 1 1 16 16 A H2 H 1 8.082 0.008 . 1 . . . . 34 A H2 . 25831 1 189 . 1 1 16 16 A H2' H 1 4.874 0.002 . 2 . . . . 34 A H2' . 25831 1 190 . 1 1 16 16 A H3' H 1 4.775 0.010 . 1 . . . . 34 A H3' . 25831 1 191 . 1 1 16 16 A H4' H 1 4.716 0.004 . 1 . . . . 34 A H4' . 25831 1 192 . 1 1 16 16 A H5' H 1 4.526 0.002 . 2 . . . . 34 A H5' . 25831 1 193 . 1 1 16 16 A H5'' H 1 4.447 0.007 . 2 . . . . 34 A H5'' . 25831 1 194 . 1 1 16 16 A H8 H 1 8.485 0.002 . 1 . . . . 34 A H8 . 25831 1 195 . 1 1 16 16 A C1' C 13 89.578 0.000 . 1 . . . . 34 A C1' . 25831 1 196 . 1 1 16 16 A C2 C 13 155.224 0.000 . 1 . . . . 34 A C2 . 25831 1 197 . 1 1 16 16 A C2' C 13 75.332 0.000 . 1 . . . . 34 A C2' . 25831 1 198 . 1 1 16 16 A C3' C 13 75.224 0.000 . 1 . . . . 34 A C3' . 25831 1 199 . 1 1 16 16 A C4' C 13 83.414 0.000 . 1 . . . . 34 A C4' . 25831 1 200 . 1 1 16 16 A C5' C 13 68.033 0.000 . 1 . . . . 34 A C5' . 25831 1 201 . 1 1 16 16 A C8 C 13 142.549 0.000 . 1 . . . . 34 A C8 . 25831 1 202 . 1 1 17 17 C H1' H 1 5.262 0.000 . 1 . . . . 35 C H1' . 25831 1 203 . 1 1 17 17 C H5 H 1 5.636 0.012 . 1 . . . . 35 C H5 . 25831 1 204 . 1 1 17 17 C H6 H 1 7.855 0.006 . 1 . . . . 35 C H6 . 25831 1 205 . 1 1 17 17 C C1' C 13 93.675 0.000 . 1 . . . . 35 C C1' . 25831 1 206 . 1 1 17 17 C C5 C 13 97.829 0.000 . 1 . . . . 35 C C5 . 25831 1 207 . 1 1 17 17 C C6 C 13 141.586 0.000 . 1 . . . . 35 C C6 . 25831 1 208 . 1 1 18 18 U H1' H 1 5.615 0.002 . 1 . . . . 36 U H1' . 25831 1 209 . 1 1 18 18 U H2' H 1 4.534 0.003 . 1 . . . . 36 U H2' . 25831 1 210 . 1 1 18 18 U H3' H 1 4.598 0.005 . 1 . . . . 36 U H3' . 25831 1 211 . 1 1 18 18 U H4' H 1 4.478 0.001 . 1 . . . . 36 U H4' . 25831 1 212 . 1 1 18 18 U H5 H 1 5.479 0.006 . 1 . . . . 36 U H5 . 25831 1 213 . 1 1 18 18 U H6 H 1 8.064 0.007 . 1 . . . . 36 U H6 . 25831 1 214 . 1 1 18 18 U C1' C 13 93.859 0.000 . 1 . . . . 36 U C1' . 25831 1 215 . 1 1 18 18 U C2' C 13 75.222 0.000 . 1 . . . . 36 U C2' . 25831 1 216 . 1 1 18 18 U C3' C 13 72.219 0.000 . 1 . . . . 36 U C3' . 25831 1 217 . 1 1 18 18 U C4' C 13 82.061 0.000 . 1 . . . . 36 U C4' . 25831 1 218 . 1 1 18 18 U C5 C 13 103.242 0.000 . 1 . . . . 36 U C5 . 25831 1 219 . 1 1 18 18 U C6 C 13 142.358 0.000 . 1 . . . . 36 U C6 . 25831 1 220 . 1 1 19 19 C H1' H 1 5.620 0.000 . 1 . . . . 37 C H1' . 25831 1 221 . 1 1 19 19 C H5 H 1 5.962 0.003 . 1 . . . . 37 C H5 . 25831 1 222 . 1 1 19 19 C H6 H 1 8.089 0.002 . 1 . . . . 37 C H6 . 25831 1 223 . 1 1 19 19 C C1' C 13 92.932 0.000 . 1 . . . . 37 C C1' . 25831 1 224 . 1 1 19 19 C C5 C 13 98.731 0.000 . 1 . . . . 37 C C5 . 25831 1 225 . 1 1 19 19 C C6 C 13 142.012 0.000 . 1 . . . . 37 C C6 . 25831 1 226 . 1 1 20 20 U H1' H 1 5.590 0.007 . 1 . . . . 38 U H1' . 25831 1 227 . 1 1 20 20 U H5 H 1 5.680 0.000 . 1 . . . . 38 U H5 . 25831 1 228 . 1 1 20 20 U H6 H 1 7.720 0.000 . 1 . . . . 38 U H6 . 25831 1 229 . 1 1 20 20 U C5 C 13 103.858 0.000 . 1 . . . . 38 U C5 . 25831 1 230 . 1 1 21 21 A H1' H 1 6.063 0.002 . 1 . . . . 39 A H1' . 25831 1 231 . 1 1 21 21 A H2 H 1 7.188 0.018 . 1 . . . . 39 A H2 . 25831 1 232 . 1 1 21 21 A H2' H 1 4.489 0.000 . 2 . . . . 39 A H2' . 25831 1 233 . 1 1 21 21 A H5' H 1 4.603 0.000 . 2 . . . . 39 A H5' . 25831 1 234 . 1 1 21 21 A H5'' H 1 4.200 0.000 . 2 . . . . 39 A H5'' . 25831 1 235 . 1 1 21 21 A H8 H 1 8.225 0.011 . 1 . . . . 39 A H8 . 25831 1 236 . 1 1 21 21 A C1' C 13 92.765 0.000 . 1 . . . . 39 A C1' . 25831 1 237 . 1 1 21 21 A C2 C 13 153.436 0.000 . 1 . . . . 39 A C2 . 25831 1 238 . 1 1 21 21 A C2' C 13 75.556 0.000 . 1 . . . . 39 A C2' . 25831 1 239 . 1 1 21 21 A C5' C 13 65.012 0.000 . 1 . . . . 39 A C5' . 25831 1 240 . 1 1 21 21 A C8 C 13 139.774 0.000 . 1 . . . . 39 A C8 . 25831 1 241 . 1 1 22 22 C H1' H 1 5.409 0.010 . 1 . . . . 40 C H1' . 25831 1 242 . 1 1 22 22 C H2' H 1 4.026 0.004 . 2 . . . . 40 C H2' . 25831 1 243 . 1 1 22 22 C H3' H 1 4.428 0.002 . 1 . . . . 40 C H3' . 25831 1 244 . 1 1 22 22 C H4' H 1 4.343 0.003 . 1 . . . . 40 C H4' . 25831 1 245 . 1 1 22 22 C H5 H 1 5.242 0.006 . 1 . . . . 40 C H5 . 25831 1 246 . 1 1 22 22 C H6 H 1 7.556 0.009 . 1 . . . . 40 C H6 . 25831 1 247 . 1 1 22 22 C C1' C 13 93.818 0.000 . 1 . . . . 40 C C1' . 25831 1 248 . 1 1 22 22 C C2' C 13 75.740 0.000 . 1 . . . . 40 C C2' . 25831 1 249 . 1 1 22 22 C C3' C 13 72.163 0.000 . 1 . . . . 40 C C3' . 25831 1 250 . 1 1 22 22 C C4' C 13 82.079 0.000 . 1 . . . . 40 C C4' . 25831 1 251 . 1 1 22 22 C C5 C 13 97.112 0.000 . 1 . . . . 40 C C5 . 25831 1 252 . 1 1 22 22 C C6 C 13 140.972 0.000 . 1 . . . . 40 C C6 . 25831 1 253 . 1 1 23 23 C H1' H 1 5.669 0.005 . 1 . . . . 41 C H1' . 25831 1 254 . 1 1 23 23 C H2' H 1 3.873 0.006 . 2 . . . . 41 C H2' . 25831 1 255 . 1 1 23 23 C H3' H 1 4.150 0.002 . 1 . . . . 41 C H3' . 25831 1 256 . 1 1 23 23 C H4' H 1 4.162 0.000 . 1 . . . . 41 C H4' . 25831 1 257 . 1 1 23 23 C H5 H 1 5.466 0.004 . 1 . . . . 41 C H5 . 25831 1 258 . 1 1 23 23 C H5' H 1 4.515 0.007 . 2 . . . . 41 C H5' . 25831 1 259 . 1 1 23 23 C H5'' H 1 4.039 0.003 . 2 . . . . 41 C H5'' . 25831 1 260 . 1 1 23 23 C H6 H 1 7.647 0.006 . 1 . . . . 41 C H6 . 25831 1 261 . 1 1 23 23 C C1' C 13 92.810 0.000 . 1 . . . . 41 C C1' . 25831 1 262 . 1 1 23 23 C C2' C 13 77.498 0.000 . 1 . . . . 41 C C2' . 25831 1 263 . 1 1 23 23 C C3' C 13 69.660 0.000 . 1 . . . . 41 C C3' . 25831 1 264 . 1 1 23 23 C C4' C 13 83.462 0.000 . 1 . . . . 41 C C4' . 25831 1 265 . 1 1 23 23 C C5 C 13 97.903 0.000 . 1 . . . . 41 C C5 . 25831 1 266 . 1 1 23 23 C C5' C 13 65.107 0.005 . 1 . . . . 41 C C5' . 25831 1 267 . 1 1 23 23 C C6 C 13 141.562 0.000 . 1 . . . . 41 C C6 . 25831 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25831 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D F1-, F2-filtered 1H-1H NOESY' . . . 25831 2 4 '2D 1H-13C HSQC' . . . 25831 2 6 '2D 1H-15N HSQC' . . . 25831 2 14 '2D 1H-13C HSQC' . . . 25831 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 GLY HA2 H 1 3.892 0.001 . 2 . . . B 1 GLY HA2 . 25831 2 2 . 2 2 1 1 GLY CA C 13 43.612 0.028 . 1 . . . B 1 GLY CA . 25831 2 3 . 2 2 2 2 SER HB2 H 1 3.828 0.001 . 2 . . . B 2 SER HB2 . 25831 2 4 . 2 2 2 2 SER CB C 13 63.960 0.016 . 1 . . . B 2 SER CB . 25831 2 5 . 2 2 3 3 HIS HA H 1 4.647 0.002 . 1 . . . B 3 HIS HA . 25831 2 6 . 2 2 3 3 HIS HB2 H 1 3.137 0.002 . 2 . . . B 3 HIS HB2 . 25831 2 7 . 2 2 3 3 HIS HB3 H 1 3.210 0.003 . 2 . . . B 3 HIS HB3 . 25831 2 8 . 2 2 3 3 HIS HD2 H 1 7.119 0.000 . 1 . . . B 3 HIS HD2 . 25831 2 9 . 2 2 3 3 HIS HE1 H 1 8.144 0.000 . 1 . . . B 3 HIS HE1 . 25831 2 10 . 2 2 3 3 HIS CA C 13 56.362 0.020 . 1 . . . B 3 HIS CA . 25831 2 11 . 2 2 3 3 HIS CB C 13 30.073 0.028 . 1 . . . B 3 HIS CB . 25831 2 12 . 2 2 3 3 HIS CD2 C 13 120.430 0.000 . 1 . . . B 3 HIS CD2 . 25831 2 13 . 2 2 3 3 HIS CE1 C 13 138.224 0.000 . 1 . . . B 3 HIS CE1 . 25831 2 14 . 2 2 4 4 MET H H 1 8.346 0.001 . 1 . . . B 4 MET H . 25831 2 15 . 2 2 4 4 MET HA H 1 4.476 0.001 . 1 . . . B 4 MET HA . 25831 2 16 . 2 2 4 4 MET HB2 H 1 1.968 0.000 . 2 . . . B 4 MET HB2 . 25831 2 17 . 2 2 4 4 MET HB3 H 1 2.066 0.001 . 2 . . . B 4 MET HB3 . 25831 2 18 . 2 2 4 4 MET HG2 H 1 2.448 0.000 . 2 . . . B 4 MET HG2 . 25831 2 19 . 2 2 4 4 MET HG3 H 1 2.535 0.000 . 2 . . . B 4 MET HG3 . 25831 2 20 . 2 2 4 4 MET C C 13 175.825 0.000 . 1 . . . B 4 MET C . 25831 2 21 . 2 2 4 4 MET CA C 13 55.508 0.009 . 1 . . . B 4 MET CA . 25831 2 22 . 2 2 4 4 MET CB C 13 32.911 0.031 . 1 . . . B 4 MET CB . 25831 2 23 . 2 2 4 4 MET CG C 13 32.056 0.000 . 1 . . . B 4 MET CG . 25831 2 24 . 2 2 4 4 MET N N 15 121.300 0.012 . 1 . . . B 4 MET N . 25831 2 25 . 2 2 5 5 ASN H H 1 8.614 0.003 . 1 . . . B 5 ASN H . 25831 2 26 . 2 2 5 5 ASN HA H 1 4.805 0.001 . 1 . . . B 5 ASN HA . 25831 2 27 . 2 2 5 5 ASN HB2 H 1 2.809 0.000 . 2 . . . B 5 ASN HB2 . 25831 2 28 . 2 2 5 5 ASN HB3 H 1 2.889 0.000 . 2 . . . B 5 ASN HB3 . 25831 2 29 . 2 2 5 5 ASN HD21 H 1 7.659 0.000 . 2 . . . B 5 ASN HD21 . 25831 2 30 . 2 2 5 5 ASN HD22 H 1 6.991 0.000 . 2 . . . B 5 ASN HD22 . 25831 2 31 . 2 2 5 5 ASN C C 13 175.647 0.002 . 1 . . . B 5 ASN C . 25831 2 32 . 2 2 5 5 ASN CA C 13 53.371 0.018 . 1 . . . B 5 ASN CA . 25831 2 33 . 2 2 5 5 ASN CB C 13 38.886 0.014 . 1 . . . B 5 ASN CB . 25831 2 34 . 2 2 5 5 ASN N N 15 120.495 0.027 . 1 . . . B 5 ASN N . 25831 2 35 . 2 2 5 5 ASN ND2 N 15 112.975 0.001 . 1 . . . B 5 ASN ND2 . 25831 2 36 . 2 2 6 6 THR H H 1 8.193 0.000 . 1 . . . B 6 THR H . 25831 2 37 . 2 2 6 6 THR HA H 1 4.336 0.000 . 1 . . . B 6 THR HA . 25831 2 38 . 2 2 6 6 THR HB H 1 4.309 0.000 . 1 . . . B 6 THR HB . 25831 2 39 . 2 2 6 6 THR HG21 H 1 1.210 0.001 . 1 . . . B 6 THR MG . 25831 2 40 . 2 2 6 6 THR HG22 H 1 1.210 0.001 . 1 . . . B 6 THR MG . 25831 2 41 . 2 2 6 6 THR HG23 H 1 1.210 0.001 . 1 . . . B 6 THR MG . 25831 2 42 . 2 2 6 6 THR C C 13 174.798 0.011 . 1 . . . B 6 THR C . 25831 2 43 . 2 2 6 6 THR CA C 13 62.138 0.012 . 1 . . . B 6 THR CA . 25831 2 44 . 2 2 6 6 THR CB C 13 69.646 0.012 . 1 . . . B 6 THR CB . 25831 2 45 . 2 2 6 6 THR CG2 C 13 21.747 0.009 . 1 . . . B 6 THR CG2 . 25831 2 46 . 2 2 6 6 THR N N 15 114.368 0.005 . 1 . . . B 6 THR N . 25831 2 47 . 2 2 7 7 GLU H H 1 8.452 0.001 . 1 . . . B 7 GLU H . 25831 2 48 . 2 2 7 7 GLU HA H 1 4.298 0.000 . 1 . . . B 7 GLU HA . 25831 2 49 . 2 2 7 7 GLU HB2 H 1 1.976 0.000 . 2 . . . B 7 GLU HB2 . 25831 2 50 . 2 2 7 7 GLU HB3 H 1 2.081 0.001 . 2 . . . B 7 GLU HB3 . 25831 2 51 . 2 2 7 7 GLU HG2 H 1 2.289 0.001 . 2 . . . B 7 GLU HG2 . 25831 2 52 . 2 2 7 7 GLU HG3 H 1 2.245 0.000 . 2 . . . B 7 GLU HG3 . 25831 2 53 . 2 2 7 7 GLU C C 13 176.272 0.027 . 1 . . . B 7 GLU C . 25831 2 54 . 2 2 7 7 GLU CA C 13 56.778 0.019 . 1 . . . B 7 GLU CA . 25831 2 55 . 2 2 7 7 GLU CB C 13 30.211 0.013 . 1 . . . B 7 GLU CB . 25831 2 56 . 2 2 7 7 GLU CG C 13 36.488 0.016 . 1 . . . B 7 GLU CG . 25831 2 57 . 2 2 7 7 GLU N N 15 122.642 0.008 . 1 . . . B 7 GLU N . 25831 2 58 . 2 2 8 8 ASN H H 1 8.436 0.002 . 1 . . . B 8 ASN H . 25831 2 59 . 2 2 8 8 ASN HA H 1 4.715 0.001 . 1 . . . B 8 ASN HA . 25831 2 60 . 2 2 8 8 ASN HB2 H 1 2.784 0.000 . 2 . . . B 8 ASN HB2 . 25831 2 61 . 2 2 8 8 ASN HB3 H 1 2.898 0.001 . 2 . . . B 8 ASN HB3 . 25831 2 62 . 2 2 8 8 ASN C C 13 175.196 0.012 . 1 . . . B 8 ASN C . 25831 2 63 . 2 2 8 8 ASN CA C 13 53.300 0.023 . 1 . . . B 8 ASN CA . 25831 2 64 . 2 2 8 8 ASN CB C 13 38.884 0.013 . 1 . . . B 8 ASN CB . 25831 2 65 . 2 2 8 8 ASN N N 15 119.817 0.006 . 1 . . . B 8 ASN N . 25831 2 66 . 2 2 9 9 LYS H H 1 8.358 0.001 . 1 . . . B 9 LYS H . 25831 2 67 . 2 2 9 9 LYS HA H 1 4.398 0.000 . 1 . . . B 9 LYS HA . 25831 2 68 . 2 2 9 9 LYS HB2 H 1 1.788 0.001 . 2 . . . B 9 LYS HB2 . 25831 2 69 . 2 2 9 9 LYS HB3 H 1 1.927 0.000 . 2 . . . B 9 LYS HB3 . 25831 2 70 . 2 2 9 9 LYS HG2 H 1 1.471 0.000 . 2 . . . B 9 LYS HG2 . 25831 2 71 . 2 2 9 9 LYS HD2 H 1 1.704 0.000 . 2 . . . B 9 LYS HD2 . 25831 2 72 . 2 2 9 9 LYS HE2 H 1 3.019 0.000 . 2 . . . B 9 LYS HE2 . 25831 2 73 . 2 2 9 9 LYS C C 13 176.667 0.000 . 1 . . . B 9 LYS C . 25831 2 74 . 2 2 9 9 LYS CA C 13 56.524 0.001 . 1 . . . B 9 LYS CA . 25831 2 75 . 2 2 9 9 LYS CB C 13 33.091 0.009 . 1 . . . B 9 LYS CB . 25831 2 76 . 2 2 9 9 LYS CG C 13 24.931 0.009 . 1 . . . B 9 LYS CG . 25831 2 77 . 2 2 9 9 LYS CD C 13 29.144 0.001 . 1 . . . B 9 LYS CD . 25831 2 78 . 2 2 9 9 LYS CE C 13 42.126 0.005 . 1 . . . B 9 LYS CE . 25831 2 79 . 2 2 9 9 LYS N N 15 121.965 0.001 . 1 . . . B 9 LYS N . 25831 2 80 . 2 2 10 10 SER H H 1 8.344 0.001 . 1 . . . B 10 SER H . 25831 2 81 . 2 2 10 10 SER HA H 1 4.550 0.001 . 1 . . . B 10 SER HA . 25831 2 82 . 2 2 10 10 SER HB2 H 1 3.948 0.001 . 2 . . . B 10 SER HB2 . 25831 2 83 . 2 2 10 10 SER HB3 H 1 3.952 0.000 . 2 . . . B 10 SER HB3 . 25831 2 84 . 2 2 10 10 SER C C 13 173.801 0.006 . 1 . . . B 10 SER C . 25831 2 85 . 2 2 10 10 SER CA C 13 58.247 0.024 . 1 . . . B 10 SER CA . 25831 2 86 . 2 2 10 10 SER CB C 13 64.129 0.010 . 1 . . . B 10 SER CB . 25831 2 87 . 2 2 10 10 SER N N 15 117.250 0.004 . 1 . . . B 10 SER N . 25831 2 88 . 2 2 11 11 GLN H H 1 8.642 0.001 . 1 . . . B 11 GLN H . 25831 2 89 . 2 2 11 11 GLN HA H 1 4.853 0.000 . 1 . . . B 11 GLN HA . 25831 2 90 . 2 2 11 11 GLN HB2 H 1 2.208 0.000 . 2 . . . B 11 GLN HB2 . 25831 2 91 . 2 2 11 11 GLN HB3 H 1 2.039 0.000 . 2 . . . B 11 GLN HB3 . 25831 2 92 . 2 2 11 11 GLN HG2 H 1 2.445 0.000 . 2 . . . B 11 GLN HG2 . 25831 2 93 . 2 2 11 11 GLN HE21 H 1 6.919 0.000 . 2 . . . B 11 GLN HE21 . 25831 2 94 . 2 2 11 11 GLN HE22 H 1 7.578 0.002 . 2 . . . B 11 GLN HE22 . 25831 2 95 . 2 2 11 11 GLN C C 13 172.801 0.000 . 1 . . . B 11 GLN C . 25831 2 96 . 2 2 11 11 GLN CA C 13 53.430 0.005 . 1 . . . B 11 GLN CA . 25831 2 97 . 2 2 11 11 GLN CB C 13 29.872 0.007 . 1 . . . B 11 GLN CB . 25831 2 98 . 2 2 11 11 GLN CG C 13 33.730 0.000 . 1 . . . B 11 GLN CG . 25831 2 99 . 2 2 11 11 GLN N N 15 123.124 0.007 . 1 . . . B 11 GLN N . 25831 2 100 . 2 2 11 11 GLN NE2 N 15 112.654 0.014 . 1 . . . B 11 GLN NE2 . 25831 2 101 . 2 2 12 12 PRO HA H 1 4.681 0.002 . 1 . . . B 12 PRO HA . 25831 2 102 . 2 2 12 12 PRO HB2 H 1 1.743 0.002 . 2 . . . B 12 PRO HB2 . 25831 2 103 . 2 2 12 12 PRO HB3 H 1 2.245 0.000 . 2 . . . B 12 PRO HB3 . 25831 2 104 . 2 2 12 12 PRO HG2 H 1 1.953 0.000 . 2 . . . B 12 PRO HG2 . 25831 2 105 . 2 2 12 12 PRO HD2 H 1 3.641 0.001 . 2 . . . B 12 PRO HD2 . 25831 2 106 . 2 2 12 12 PRO HD3 H 1 3.862 0.001 . 2 . . . B 12 PRO HD3 . 25831 2 107 . 2 2 12 12 PRO C C 13 176.685 0.000 . 1 . . . B 12 PRO C . 25831 2 108 . 2 2 12 12 PRO CA C 13 63.456 0.011 . 1 . . . B 12 PRO CA . 25831 2 109 . 2 2 12 12 PRO CB C 13 33.585 0.040 . 1 . . . B 12 PRO CB . 25831 2 110 . 2 2 12 12 PRO CG C 13 27.276 0.002 . 1 . . . B 12 PRO CG . 25831 2 111 . 2 2 12 12 PRO CD C 13 50.886 0.029 . 1 . . . B 12 PRO CD . 25831 2 112 . 2 2 13 13 LYS H H 1 8.164 0.001 . 1 . . . B 13 LYS H . 25831 2 113 . 2 2 13 13 LYS HA H 1 4.584 0.001 . 1 . . . B 13 LYS HA . 25831 2 114 . 2 2 13 13 LYS HB2 H 1 1.575 0.001 . 2 . . . B 13 LYS HB2 . 25831 2 115 . 2 2 13 13 LYS HB3 H 1 1.738 0.001 . 2 . . . B 13 LYS HB3 . 25831 2 116 . 2 2 13 13 LYS HG2 H 1 1.207 0.001 . 2 . . . B 13 LYS HG2 . 25831 2 117 . 2 2 13 13 LYS HG3 H 1 1.483 0.000 . 2 . . . B 13 LYS HG3 . 25831 2 118 . 2 2 13 13 LYS HD2 H 1 1.742 0.006 . 2 . . . B 13 LYS HD2 . 25831 2 119 . 2 2 13 13 LYS HD3 H 1 1.692 0.000 . 2 . . . B 13 LYS HD3 . 25831 2 120 . 2 2 13 13 LYS HE2 H 1 2.908 0.000 . 2 . . . B 13 LYS HE2 . 25831 2 121 . 2 2 13 13 LYS HE3 H 1 2.954 0.000 . 2 . . . B 13 LYS HE3 . 25831 2 122 . 2 2 13 13 LYS C C 13 172.732 0.007 . 1 . . . B 13 LYS C . 25831 2 123 . 2 2 13 13 LYS CA C 13 56.605 0.017 . 1 . . . B 13 LYS CA . 25831 2 124 . 2 2 13 13 LYS CB C 13 37.211 0.012 . 1 . . . B 13 LYS CB . 25831 2 125 . 2 2 13 13 LYS CG C 13 26.139 0.007 . 1 . . . B 13 LYS CG . 25831 2 126 . 2 2 13 13 LYS CD C 13 29.811 0.003 . 1 . . . B 13 LYS CD . 25831 2 127 . 2 2 13 13 LYS CE C 13 42.227 0.024 . 1 . . . B 13 LYS CE . 25831 2 128 . 2 2 13 13 LYS N N 15 119.127 0.012 . 1 . . . B 13 LYS N . 25831 2 129 . 2 2 14 14 ARG H H 1 9.009 0.001 . 1 . . . B 14 ARG H . 25831 2 130 . 2 2 14 14 ARG HA H 1 5.622 0.002 . 1 . . . B 14 ARG HA . 25831 2 131 . 2 2 14 14 ARG HB2 H 1 1.558 0.002 . 2 . . . B 14 ARG HB2 . 25831 2 132 . 2 2 14 14 ARG HB3 H 1 1.953 0.002 . 2 . . . B 14 ARG HB3 . 25831 2 133 . 2 2 14 14 ARG HG2 H 1 1.722 0.000 . 2 . . . B 14 ARG HG2 . 25831 2 134 . 2 2 14 14 ARG HG3 H 1 1.443 0.000 . 2 . . . B 14 ARG HG3 . 25831 2 135 . 2 2 14 14 ARG HD2 H 1 3.090 0.000 . 2 . . . B 14 ARG HD2 . 25831 2 136 . 2 2 14 14 ARG HD3 H 1 3.150 0.001 . 2 . . . B 14 ARG HD3 . 25831 2 137 . 2 2 14 14 ARG HE H 1 7.771 0.000 . 1 . . . B 14 ARG HE . 25831 2 138 . 2 2 14 14 ARG C C 13 174.720 0.042 . 1 . . . B 14 ARG C . 25831 2 139 . 2 2 14 14 ARG CA C 13 54.449 0.006 . 1 . . . B 14 ARG CA . 25831 2 140 . 2 2 14 14 ARG CB C 13 33.722 0.009 . 1 . . . B 14 ARG CB . 25831 2 141 . 2 2 14 14 ARG CG C 13 28.342 0.015 . 1 . . . B 14 ARG CG . 25831 2 142 . 2 2 14 14 ARG CD C 13 44.741 0.015 . 1 . . . B 14 ARG CD . 25831 2 143 . 2 2 14 14 ARG N N 15 130.683 0.007 . 1 . . . B 14 ARG N . 25831 2 144 . 2 2 14 14 ARG NE N 15 83.614 0.006 . 1 . . . B 14 ARG NE . 25831 2 145 . 2 2 15 15 LEU H H 1 9.665 0.000 . 1 . . . B 15 LEU H . 25831 2 146 . 2 2 15 15 LEU HA H 1 5.182 0.000 . 1 . . . B 15 LEU HA . 25831 2 147 . 2 2 15 15 LEU HB2 H 1 1.527 0.001 . 2 . . . B 15 LEU HB2 . 25831 2 148 . 2 2 15 15 LEU HB3 H 1 1.669 0.005 . 2 . . . B 15 LEU HB3 . 25831 2 149 . 2 2 15 15 LEU HG H 1 1.815 0.000 . 1 . . . B 15 LEU HG . 25831 2 150 . 2 2 15 15 LEU HD11 H 1 0.892 0.000 . 2 . . . B 15 LEU MD1 . 25831 2 151 . 2 2 15 15 LEU HD12 H 1 0.892 0.000 . 2 . . . B 15 LEU MD1 . 25831 2 152 . 2 2 15 15 LEU HD13 H 1 0.892 0.000 . 2 . . . B 15 LEU MD1 . 25831 2 153 . 2 2 15 15 LEU HD21 H 1 1.051 0.002 . 2 . . . B 15 LEU MD2 . 25831 2 154 . 2 2 15 15 LEU HD22 H 1 1.051 0.002 . 2 . . . B 15 LEU MD2 . 25831 2 155 . 2 2 15 15 LEU HD23 H 1 1.051 0.002 . 2 . . . B 15 LEU MD2 . 25831 2 156 . 2 2 15 15 LEU C C 13 175.065 0.066 . 1 . . . B 15 LEU C . 25831 2 157 . 2 2 15 15 LEU CA C 13 53.339 0.010 . 1 . . . B 15 LEU CA . 25831 2 158 . 2 2 15 15 LEU CB C 13 44.886 0.014 . 1 . . . B 15 LEU CB . 25831 2 159 . 2 2 15 15 LEU CG C 13 27.306 0.008 . 1 . . . B 15 LEU CG . 25831 2 160 . 2 2 15 15 LEU CD1 C 13 22.571 0.011 . 2 . . . B 15 LEU CD1 . 25831 2 161 . 2 2 15 15 LEU CD2 C 13 26.732 0.000 . 2 . . . B 15 LEU CD2 . 25831 2 162 . 2 2 15 15 LEU N N 15 126.059 0.008 . 1 . . . B 15 LEU N . 25831 2 163 . 2 2 16 16 HIS H H 1 9.131 0.001 . 1 . . . B 16 HIS H . 25831 2 164 . 2 2 16 16 HIS HA H 1 4.772 0.004 . 1 . . . B 16 HIS HA . 25831 2 165 . 2 2 16 16 HIS HB2 H 1 2.514 0.002 . 2 . . . B 16 HIS HB2 . 25831 2 166 . 2 2 16 16 HIS HB3 H 1 2.955 0.003 . 2 . . . B 16 HIS HB3 . 25831 2 167 . 2 2 16 16 HIS HD2 H 1 6.035 0.004 . 1 . . . B 16 HIS HD2 . 25831 2 168 . 2 2 16 16 HIS HE1 H 1 7.088 0.003 . 1 . . . B 16 HIS HE1 . 25831 2 169 . 2 2 16 16 HIS C C 13 172.577 0.024 . 1 . . . B 16 HIS C . 25831 2 170 . 2 2 16 16 HIS CA C 13 54.981 0.015 . 1 . . . B 16 HIS CA . 25831 2 171 . 2 2 16 16 HIS CB C 13 35.556 0.041 . 1 . . . B 16 HIS CB . 25831 2 172 . 2 2 16 16 HIS CD2 C 13 116.931 0.095 . 1 . . . B 16 HIS CD2 . 25831 2 173 . 2 2 16 16 HIS CE1 C 13 138.264 0.102 . 1 . . . B 16 HIS CE1 . 25831 2 174 . 2 2 16 16 HIS N N 15 123.581 0.006 . 1 . . . B 16 HIS N . 25831 2 175 . 2 2 17 17 VAL H H 1 8.463 0.002 . 1 . . . B 17 VAL H . 25831 2 176 . 2 2 17 17 VAL HA H 1 5.060 0.004 . 1 . . . B 17 VAL HA . 25831 2 177 . 2 2 17 17 VAL HB H 1 1.664 0.002 . 1 . . . B 17 VAL HB . 25831 2 178 . 2 2 17 17 VAL HG11 H 1 0.776 0.001 . 2 . . . B 17 VAL MG1 . 25831 2 179 . 2 2 17 17 VAL HG12 H 1 0.776 0.001 . 2 . . . B 17 VAL MG1 . 25831 2 180 . 2 2 17 17 VAL HG13 H 1 0.776 0.001 . 2 . . . B 17 VAL MG1 . 25831 2 181 . 2 2 17 17 VAL HG21 H 1 0.747 0.002 . 2 . . . B 17 VAL MG2 . 25831 2 182 . 2 2 17 17 VAL HG22 H 1 0.747 0.002 . 2 . . . B 17 VAL MG2 . 25831 2 183 . 2 2 17 17 VAL HG23 H 1 0.747 0.002 . 2 . . . B 17 VAL MG2 . 25831 2 184 . 2 2 17 17 VAL C C 13 173.566 0.016 . 1 . . . B 17 VAL C . 25831 2 185 . 2 2 17 17 VAL CA C 13 58.503 0.011 . 1 . . . B 17 VAL CA . 25831 2 186 . 2 2 17 17 VAL CB C 13 34.036 0.027 . 1 . . . B 17 VAL CB . 25831 2 187 . 2 2 17 17 VAL CG1 C 13 20.188 0.006 . 2 . . . B 17 VAL CG1 . 25831 2 188 . 2 2 17 17 VAL CG2 C 13 21.606 0.003 . 2 . . . B 17 VAL CG2 . 25831 2 189 . 2 2 17 17 VAL N N 15 126.321 0.009 . 1 . . . B 17 VAL N . 25831 2 190 . 2 2 18 18 SER H H 1 9.092 0.002 . 1 . . . B 18 SER H . 25831 2 191 . 2 2 18 18 SER HA H 1 4.900 0.001 . 1 . . . B 18 SER HA . 25831 2 192 . 2 2 18 18 SER HB2 H 1 2.938 0.004 . 2 . . . B 18 SER HB2 . 25831 2 193 . 2 2 18 18 SER HB3 H 1 3.317 0.036 . 2 . . . B 18 SER HB3 . 25831 2 194 . 2 2 18 18 SER C C 13 173.631 0.000 . 1 . . . B 18 SER C . 25831 2 195 . 2 2 18 18 SER CA C 13 55.645 0.016 . 1 . . . B 18 SER CA . 25831 2 196 . 2 2 18 18 SER CB C 13 65.047 0.014 . 1 . . . B 18 SER CB . 25831 2 197 . 2 2 18 18 SER N N 15 118.448 0.006 . 1 . . . B 18 SER N . 25831 2 198 . 2 2 19 19 ASN H H 1 7.570 0.001 . 1 . . . B 19 ASN H . 25831 2 199 . 2 2 19 19 ASN HA H 1 4.814 0.001 . 1 . . . B 19 ASN HA . 25831 2 200 . 2 2 19 19 ASN HB2 H 1 2.261 0.001 . 2 . . . B 19 ASN HB2 . 25831 2 201 . 2 2 19 19 ASN HB3 H 1 3.496 0.002 . 2 . . . B 19 ASN HB3 . 25831 2 202 . 2 2 19 19 ASN HD21 H 1 6.600 0.000 . 2 . . . B 19 ASN HD21 . 25831 2 203 . 2 2 19 19 ASN HD22 H 1 7.830 0.000 . 2 . . . B 19 ASN HD22 . 25831 2 204 . 2 2 19 19 ASN C C 13 175.037 0.029 . 1 . . . B 19 ASN C . 25831 2 205 . 2 2 19 19 ASN CA C 13 53.845 0.022 . 1 . . . B 19 ASN CA . 25831 2 206 . 2 2 19 19 ASN CB C 13 38.348 0.014 . 1 . . . B 19 ASN CB . 25831 2 207 . 2 2 19 19 ASN N N 15 119.314 0.008 . 1 . . . B 19 ASN N . 25831 2 208 . 2 2 19 19 ASN ND2 N 15 110.462 0.001 . 1 . . . B 19 ASN ND2 . 25831 2 209 . 2 2 20 20 ILE H H 1 7.217 0.001 . 1 . . . B 20 ILE H . 25831 2 210 . 2 2 20 20 ILE HA H 1 3.977 0.001 . 1 . . . B 20 ILE HA . 25831 2 211 . 2 2 20 20 ILE HB H 1 1.400 0.003 . 1 . . . B 20 ILE HB . 25831 2 212 . 2 2 20 20 ILE HG12 H 1 0.634 0.003 . 2 . . . B 20 ILE HG12 . 25831 2 213 . 2 2 20 20 ILE HG13 H 1 1.155 0.004 . 2 . . . B 20 ILE HG13 . 25831 2 214 . 2 2 20 20 ILE HG21 H 1 0.678 0.004 . 1 . . . B 20 ILE MG . 25831 2 215 . 2 2 20 20 ILE HG22 H 1 0.678 0.004 . 1 . . . B 20 ILE MG . 25831 2 216 . 2 2 20 20 ILE HG23 H 1 0.678 0.004 . 1 . . . B 20 ILE MG . 25831 2 217 . 2 2 20 20 ILE HD11 H 1 0.671 0.002 . 1 . . . B 20 ILE MD . 25831 2 218 . 2 2 20 20 ILE HD12 H 1 0.671 0.002 . 1 . . . B 20 ILE MD . 25831 2 219 . 2 2 20 20 ILE HD13 H 1 0.671 0.002 . 1 . . . B 20 ILE MD . 25831 2 220 . 2 2 20 20 ILE C C 13 174.651 0.000 . 1 . . . B 20 ILE C . 25831 2 221 . 2 2 20 20 ILE CA C 13 59.270 0.005 . 1 . . . B 20 ILE CA . 25831 2 222 . 2 2 20 20 ILE CB C 13 36.434 0.012 . 1 . . . B 20 ILE CB . 25831 2 223 . 2 2 20 20 ILE CG1 C 13 24.702 0.013 . 1 . . . B 20 ILE CG1 . 25831 2 224 . 2 2 20 20 ILE CG2 C 13 19.356 0.010 . 1 . . . B 20 ILE CG2 . 25831 2 225 . 2 2 20 20 ILE CD1 C 13 14.092 0.012 . 1 . . . B 20 ILE CD1 . 25831 2 226 . 2 2 20 20 ILE N N 15 106.717 0.006 . 1 . . . B 20 ILE N . 25831 2 227 . 2 2 21 21 PRO HA H 1 4.513 0.002 . 1 . . . B 21 PRO HA . 25831 2 228 . 2 2 21 21 PRO HB2 H 1 1.381 0.002 . 2 . . . B 21 PRO HB2 . 25831 2 229 . 2 2 21 21 PRO HB3 H 1 2.576 0.001 . 2 . . . B 21 PRO HB3 . 25831 2 230 . 2 2 21 21 PRO HG2 H 1 1.284 0.000 . 2 . . . B 21 PRO HG2 . 25831 2 231 . 2 2 21 21 PRO HG3 H 1 1.619 0.002 . 2 . . . B 21 PRO HG3 . 25831 2 232 . 2 2 21 21 PRO HD2 H 1 1.673 0.003 . 2 . . . B 21 PRO HD2 . 25831 2 233 . 2 2 21 21 PRO HD3 H 1 3.045 0.002 . 2 . . . B 21 PRO HD3 . 25831 2 234 . 2 2 21 21 PRO C C 13 178.419 0.000 . 1 . . . B 21 PRO C . 25831 2 235 . 2 2 21 21 PRO CA C 13 63.508 0.016 . 1 . . . B 21 PRO CA . 25831 2 236 . 2 2 21 21 PRO CB C 13 32.289 0.007 . 1 . . . B 21 PRO CB . 25831 2 237 . 2 2 21 21 PRO CG C 13 28.690 0.016 . 1 . . . B 21 PRO CG . 25831 2 238 . 2 2 21 21 PRO CD C 13 49.809 0.008 . 1 . . . B 21 PRO CD . 25831 2 239 . 2 2 22 22 PHE H H 1 8.903 0.002 . 1 . . . B 22 PHE H . 25831 2 240 . 2 2 22 22 PHE HA H 1 4.459 0.003 . 1 . . . B 22 PHE HA . 25831 2 241 . 2 2 22 22 PHE HB2 H 1 2.808 0.000 . 2 . . . B 22 PHE HB2 . 25831 2 242 . 2 2 22 22 PHE HB3 H 1 3.133 0.003 . 2 . . . B 22 PHE HB3 . 25831 2 243 . 2 2 22 22 PHE HD1 H 1 6.540 0.004 . 3 . . . B 22 PHE HD1 . 25831 2 244 . 2 2 22 22 PHE HD2 H 1 6.540 0.004 . 3 . . . B 22 PHE HD2 . 25831 2 245 . 2 2 22 22 PHE HE1 H 1 6.300 0.004 . 3 . . . B 22 PHE HE1 . 25831 2 246 . 2 2 22 22 PHE HE2 H 1 6.300 0.004 . 3 . . . B 22 PHE HE2 . 25831 2 247 . 2 2 22 22 PHE HZ H 1 6.677 0.004 . 1 . . . B 22 PHE HZ . 25831 2 248 . 2 2 22 22 PHE C C 13 176.671 0.000 . 1 . . . B 22 PHE C . 25831 2 249 . 2 2 22 22 PHE CA C 13 57.989 0.029 . 1 . . . B 22 PHE CA . 25831 2 250 . 2 2 22 22 PHE CB C 13 37.681 0.009 . 1 . . . B 22 PHE CB . 25831 2 251 . 2 2 22 22 PHE CD2 C 13 128.882 0.045 . 3 . . . B 22 PHE CD2 . 25831 2 252 . 2 2 22 22 PHE CE2 C 13 130.526 0.046 . 3 . . . B 22 PHE CE2 . 25831 2 253 . 2 2 22 22 PHE CZ C 13 130.260 0.024 . 1 . . . B 22 PHE CZ . 25831 2 254 . 2 2 22 22 PHE N N 15 128.022 0.006 . 1 . . . B 22 PHE N . 25831 2 255 . 2 2 23 23 ARG H H 1 8.578 0.002 . 1 . . . B 23 ARG H . 25831 2 256 . 2 2 23 23 ARG HA H 1 4.449 0.001 . 1 . . . B 23 ARG HA . 25831 2 257 . 2 2 23 23 ARG HB2 H 1 1.963 0.000 . 2 . . . B 23 ARG HB2 . 25831 2 258 . 2 2 23 23 ARG HB3 H 1 2.087 0.001 . 2 . . . B 23 ARG HB3 . 25831 2 259 . 2 2 23 23 ARG HG2 H 1 1.615 0.000 . 2 . . . B 23 ARG HG2 . 25831 2 260 . 2 2 23 23 ARG HG3 H 1 1.787 0.004 . 2 . . . B 23 ARG HG3 . 25831 2 261 . 2 2 23 23 ARG HD2 H 1 3.265 0.006 . 2 . . . B 23 ARG HD2 . 25831 2 262 . 2 2 23 23 ARG HD3 H 1 3.302 0.000 . 2 . . . B 23 ARG HD3 . 25831 2 263 . 2 2 23 23 ARG HE H 1 8.418 0.000 . 1 . . . B 23 ARG HE . 25831 2 264 . 2 2 23 23 ARG C C 13 177.571 0.007 . 1 . . . B 23 ARG C . 25831 2 265 . 2 2 23 23 ARG CA C 13 56.875 0.018 . 1 . . . B 23 ARG CA . 25831 2 266 . 2 2 23 23 ARG CB C 13 29.925 0.007 . 1 . . . B 23 ARG CB . 25831 2 267 . 2 2 23 23 ARG CG C 13 27.477 0.005 . 1 . . . B 23 ARG CG . 25831 2 268 . 2 2 23 23 ARG CD C 13 42.981 0.019 . 1 . . . B 23 ARG CD . 25831 2 269 . 2 2 23 23 ARG N N 15 113.864 0.004 . 1 . . . B 23 ARG N . 25831 2 270 . 2 2 23 23 ARG NE N 15 85.013 0.003 . 1 . . . B 23 ARG NE . 25831 2 271 . 2 2 24 24 PHE H H 1 7.702 0.001 . 1 . . . B 24 PHE H . 25831 2 272 . 2 2 24 24 PHE HA H 1 4.568 0.003 . 1 . . . B 24 PHE HA . 25831 2 273 . 2 2 24 24 PHE HB2 H 1 2.703 0.002 . 2 . . . B 24 PHE HB2 . 25831 2 274 . 2 2 24 24 PHE HB3 H 1 3.674 0.001 . 2 . . . B 24 PHE HB3 . 25831 2 275 . 2 2 24 24 PHE HD1 H 1 6.918 0.001 . 3 . . . B 24 PHE HD1 . 25831 2 276 . 2 2 24 24 PHE HD2 H 1 6.918 0.001 . 3 . . . B 24 PHE HD2 . 25831 2 277 . 2 2 24 24 PHE HE1 H 1 7.334 0.001 . 3 . . . B 24 PHE HE1 . 25831 2 278 . 2 2 24 24 PHE HE2 H 1 7.334 0.001 . 3 . . . B 24 PHE HE2 . 25831 2 279 . 2 2 24 24 PHE HZ H 1 7.616 0.000 . 1 . . . B 24 PHE HZ . 25831 2 280 . 2 2 24 24 PHE C C 13 177.326 0.004 . 1 . . . B 24 PHE C . 25831 2 281 . 2 2 24 24 PHE CA C 13 57.798 0.007 . 1 . . . B 24 PHE CA . 25831 2 282 . 2 2 24 24 PHE CB C 13 38.492 0.021 . 1 . . . B 24 PHE CB . 25831 2 283 . 2 2 24 24 PHE CD1 C 13 129.305 0.010 . 3 . . . B 24 PHE CD1 . 25831 2 284 . 2 2 24 24 PHE CE1 C 13 132.144 0.029 . 3 . . . B 24 PHE CE1 . 25831 2 285 . 2 2 24 24 PHE N N 15 119.554 0.007 . 1 . . . B 24 PHE N . 25831 2 286 . 2 2 25 25 ARG H H 1 9.850 0.001 . 1 . . . B 25 ARG H . 25831 2 287 . 2 2 25 25 ARG HA H 1 4.872 0.001 . 1 . . . B 25 ARG HA . 25831 2 288 . 2 2 25 25 ARG HB2 H 1 1.840 0.000 . 2 . . . B 25 ARG HB2 . 25831 2 289 . 2 2 25 25 ARG HB3 H 1 2.230 0.000 . 2 . . . B 25 ARG HB3 . 25831 2 290 . 2 2 25 25 ARG HG2 H 1 1.815 0.000 . 2 . . . B 25 ARG HG2 . 25831 2 291 . 2 2 25 25 ARG HD2 H 1 3.319 0.001 . 2 . . . B 25 ARG HD2 . 25831 2 292 . 2 2 25 25 ARG HD3 H 1 3.533 0.002 . 2 . . . B 25 ARG HD3 . 25831 2 293 . 2 2 25 25 ARG HE H 1 7.610 0.000 . 1 . . . B 25 ARG HE . 25831 2 294 . 2 2 25 25 ARG C C 13 176.568 0.002 . 1 . . . B 25 ARG C . 25831 2 295 . 2 2 25 25 ARG CA C 13 52.851 0.004 . 1 . . . B 25 ARG CA . 25831 2 296 . 2 2 25 25 ARG CB C 13 33.999 0.008 . 1 . . . B 25 ARG CB . 25831 2 297 . 2 2 25 25 ARG CG C 13 26.993 0.002 . 1 . . . B 25 ARG CG . 25831 2 298 . 2 2 25 25 ARG CD C 13 42.483 0.038 . 1 . . . B 25 ARG CD . 25831 2 299 . 2 2 25 25 ARG N N 15 124.595 0.008 . 1 . . . B 25 ARG N . 25831 2 300 . 2 2 25 25 ARG NE N 15 85.036 0.003 . 1 . . . B 25 ARG NE . 25831 2 301 . 2 2 26 26 ASP H H 1 9.035 0.001 . 1 . . . B 26 ASP H . 25831 2 302 . 2 2 26 26 ASP HA H 1 4.252 0.000 . 1 . . . B 26 ASP HA . 25831 2 303 . 2 2 26 26 ASP HB2 H 1 2.728 0.000 . 2 . . . B 26 ASP HB2 . 25831 2 304 . 2 2 26 26 ASP HB3 H 1 2.794 0.000 . 2 . . . B 26 ASP HB3 . 25831 2 305 . 2 2 26 26 ASP C C 13 174.870 0.000 . 1 . . . B 26 ASP C . 25831 2 306 . 2 2 26 26 ASP CA C 13 59.741 0.016 . 1 . . . B 26 ASP CA . 25831 2 307 . 2 2 26 26 ASP CB C 13 38.809 0.003 . 1 . . . B 26 ASP CB . 25831 2 308 . 2 2 26 26 ASP N N 15 121.494 0.009 . 1 . . . B 26 ASP N . 25831 2 309 . 2 2 27 27 PRO HA H 1 4.171 0.001 . 1 . . . B 27 PRO HA . 25831 2 310 . 2 2 27 27 PRO HB2 H 1 1.767 0.000 . 2 . . . B 27 PRO HB2 . 25831 2 311 . 2 2 27 27 PRO HB3 H 1 2.316 0.002 . 2 . . . B 27 PRO HB3 . 25831 2 312 . 2 2 27 27 PRO HG2 H 1 1.980 0.000 . 2 . . . B 27 PRO HG2 . 25831 2 313 . 2 2 27 27 PRO HD2 H 1 3.578 0.000 . 2 . . . B 27 PRO HD2 . 25831 2 314 . 2 2 27 27 PRO HD3 H 1 3.803 0.000 . 2 . . . B 27 PRO HD3 . 25831 2 315 . 2 2 27 27 PRO C C 13 179.406 0.000 . 1 . . . B 27 PRO C . 25831 2 316 . 2 2 27 27 PRO CA C 13 66.402 0.025 . 1 . . . B 27 PRO CA . 25831 2 317 . 2 2 27 27 PRO CB C 13 31.129 0.022 . 1 . . . B 27 PRO CB . 25831 2 318 . 2 2 27 27 PRO CG C 13 28.428 0.004 . 1 . . . B 27 PRO CG . 25831 2 319 . 2 2 27 27 PRO CD C 13 50.936 0.019 . 1 . . . B 27 PRO CD . 25831 2 320 . 2 2 28 28 ASP H H 1 7.443 0.000 . 1 . . . B 28 ASP H . 25831 2 321 . 2 2 28 28 ASP HA H 1 4.056 0.001 . 1 . . . B 28 ASP HA . 25831 2 322 . 2 2 28 28 ASP HB2 H 1 0.870 0.111 . 2 . . . B 28 ASP HB2 . 25831 2 323 . 2 2 28 28 ASP HB3 H 1 1.991 0.000 . 2 . . . B 28 ASP HB3 . 25831 2 324 . 2 2 28 28 ASP C C 13 179.308 0.000 . 1 . . . B 28 ASP C . 25831 2 325 . 2 2 28 28 ASP CA C 13 57.169 0.007 . 1 . . . B 28 ASP CA . 25831 2 326 . 2 2 28 28 ASP CB C 13 40.529 0.016 . 1 . . . B 28 ASP CB . 25831 2 327 . 2 2 28 28 ASP N N 15 115.036 0.007 . 1 . . . B 28 ASP N . 25831 2 328 . 2 2 29 29 LEU H H 1 7.324 0.000 . 1 . . . B 29 LEU H . 25831 2 329 . 2 2 29 29 LEU HA H 1 4.377 0.001 . 1 . . . B 29 LEU HA . 25831 2 330 . 2 2 29 29 LEU HB2 H 1 1.408 0.003 . 2 . . . B 29 LEU HB2 . 25831 2 331 . 2 2 29 29 LEU HB3 H 1 1.893 0.049 . 2 . . . B 29 LEU HB3 . 25831 2 332 . 2 2 29 29 LEU HG H 1 1.680 0.004 . 1 . . . B 29 LEU HG . 25831 2 333 . 2 2 29 29 LEU HD11 H 1 0.776 0.003 . 2 . . . B 29 LEU MD1 . 25831 2 334 . 2 2 29 29 LEU HD12 H 1 0.776 0.003 . 2 . . . B 29 LEU MD1 . 25831 2 335 . 2 2 29 29 LEU HD13 H 1 0.776 0.003 . 2 . . . B 29 LEU MD1 . 25831 2 336 . 2 2 29 29 LEU HD21 H 1 0.944 0.001 . 2 . . . B 29 LEU MD2 . 25831 2 337 . 2 2 29 29 LEU HD22 H 1 0.944 0.001 . 2 . . . B 29 LEU MD2 . 25831 2 338 . 2 2 29 29 LEU HD23 H 1 0.944 0.001 . 2 . . . B 29 LEU MD2 . 25831 2 339 . 2 2 29 29 LEU C C 13 179.235 0.000 . 1 . . . B 29 LEU C . 25831 2 340 . 2 2 29 29 LEU CA C 13 57.599 0.023 . 1 . . . B 29 LEU CA . 25831 2 341 . 2 2 29 29 LEU CB C 13 42.531 0.007 . 1 . . . B 29 LEU CB . 25831 2 342 . 2 2 29 29 LEU CG C 13 27.691 0.024 . 1 . . . B 29 LEU CG . 25831 2 343 . 2 2 29 29 LEU CD1 C 13 25.987 0.028 . 2 . . . B 29 LEU CD1 . 25831 2 344 . 2 2 29 29 LEU CD2 C 13 23.962 0.021 . 2 . . . B 29 LEU CD2 . 25831 2 345 . 2 2 29 29 LEU N N 15 118.011 0.009 . 1 . . . B 29 LEU N . 25831 2 346 . 2 2 30 30 ARG H H 1 8.660 0.001 . 1 . . . B 30 ARG H . 25831 2 347 . 2 2 30 30 ARG HA H 1 3.756 0.000 . 1 . . . B 30 ARG HA . 25831 2 348 . 2 2 30 30 ARG HB2 H 1 1.860 0.000 . 2 . . . B 30 ARG HB2 . 25831 2 349 . 2 2 30 30 ARG HG2 H 1 1.441 0.000 . 2 . . . B 30 ARG HG2 . 25831 2 350 . 2 2 30 30 ARG HG3 H 1 1.612 0.000 . 2 . . . B 30 ARG HG3 . 25831 2 351 . 2 2 30 30 ARG HD2 H 1 3.305 0.000 . 2 . . . B 30 ARG HD2 . 25831 2 352 . 2 2 30 30 ARG HD3 H 1 3.047 0.000 . 2 . . . B 30 ARG HD3 . 25831 2 353 . 2 2 30 30 ARG C C 13 179.357 0.000 . 1 . . . B 30 ARG C . 25831 2 354 . 2 2 30 30 ARG CA C 13 61.007 0.021 . 1 . . . B 30 ARG CA . 25831 2 355 . 2 2 30 30 ARG CB C 13 30.299 0.012 . 1 . . . B 30 ARG CB . 25831 2 356 . 2 2 30 30 ARG CG C 13 29.866 0.004 . 1 . . . B 30 ARG CG . 25831 2 357 . 2 2 30 30 ARG CD C 13 43.000 0.041 . 1 . . . B 30 ARG CD . 25831 2 358 . 2 2 30 30 ARG N N 15 120.032 0.015 . 1 . . . B 30 ARG N . 25831 2 359 . 2 2 31 31 GLN H H 1 8.073 0.000 . 1 . . . B 31 GLN H . 25831 2 360 . 2 2 31 31 GLN HA H 1 4.057 0.001 . 1 . . . B 31 GLN HA . 25831 2 361 . 2 2 31 31 GLN HB2 H 1 2.118 0.002 . 2 . . . B 31 GLN HB2 . 25831 2 362 . 2 2 31 31 GLN HB3 H 1 2.143 0.000 . 2 . . . B 31 GLN HB3 . 25831 2 363 . 2 2 31 31 GLN HG2 H 1 2.392 0.000 . 2 . . . B 31 GLN HG2 . 25831 2 364 . 2 2 31 31 GLN HG3 H 1 2.442 0.001 . 2 . . . B 31 GLN HG3 . 25831 2 365 . 2 2 31 31 GLN HE21 H 1 6.803 0.000 . 2 . . . B 31 GLN HE21 . 25831 2 366 . 2 2 31 31 GLN HE22 H 1 7.376 0.000 . 2 . . . B 31 GLN HE22 . 25831 2 367 . 2 2 31 31 GLN C C 13 177.913 0.015 . 1 . . . B 31 GLN C . 25831 2 368 . 2 2 31 31 GLN CA C 13 58.708 0.024 . 1 . . . B 31 GLN CA . 25831 2 369 . 2 2 31 31 GLN CB C 13 28.450 0.009 . 1 . . . B 31 GLN CB . 25831 2 370 . 2 2 31 31 GLN CG C 13 33.836 0.005 . 1 . . . B 31 GLN CG . 25831 2 371 . 2 2 31 31 GLN N N 15 118.146 0.008 . 1 . . . B 31 GLN N . 25831 2 372 . 2 2 31 31 GLN NE2 N 15 111.477 0.008 . 1 . . . B 31 GLN NE2 . 25831 2 373 . 2 2 32 32 MET H H 1 7.377 0.000 . 1 . . . B 32 MET H . 25831 2 374 . 2 2 32 32 MET HA H 1 4.156 0.001 . 1 . . . B 32 MET HA . 25831 2 375 . 2 2 32 32 MET HB2 H 1 2.115 0.001 . 2 . . . B 32 MET HB2 . 25831 2 376 . 2 2 32 32 MET HB3 H 1 2.348 0.001 . 2 . . . B 32 MET HB3 . 25831 2 377 . 2 2 32 32 MET HG2 H 1 1.974 0.002 . 2 . . . B 32 MET HG2 . 25831 2 378 . 2 2 32 32 MET HG3 H 1 2.488 0.002 . 2 . . . B 32 MET HG3 . 25831 2 379 . 2 2 32 32 MET HE1 H 1 2.057 0.004 . 1 . . . B 32 MET ME . 25831 2 380 . 2 2 32 32 MET HE2 H 1 2.057 0.004 . 1 . . . B 32 MET ME . 25831 2 381 . 2 2 32 32 MET HE3 H 1 2.057 0.004 . 1 . . . B 32 MET ME . 25831 2 382 . 2 2 32 32 MET C C 13 177.640 0.021 . 1 . . . B 32 MET C . 25831 2 383 . 2 2 32 32 MET CA C 13 58.821 0.019 . 1 . . . B 32 MET CA . 25831 2 384 . 2 2 32 32 MET CB C 13 34.730 0.010 . 1 . . . B 32 MET CB . 25831 2 385 . 2 2 32 32 MET CG C 13 31.431 0.006 . 1 . . . B 32 MET CG . 25831 2 386 . 2 2 32 32 MET CE C 13 17.666 0.000 . 1 . . . B 32 MET CE . 25831 2 387 . 2 2 32 32 MET N N 15 117.433 0.006 . 1 . . . B 32 MET N . 25831 2 388 . 2 2 33 33 PHE H H 1 8.532 0.003 . 1 . . . B 33 PHE H . 25831 2 389 . 2 2 33 33 PHE HA H 1 4.580 0.003 . 1 . . . B 33 PHE HA . 25831 2 390 . 2 2 33 33 PHE HB2 H 1 2.952 0.055 . 2 . . . B 33 PHE HB2 . 25831 2 391 . 2 2 33 33 PHE HB3 H 1 3.330 0.054 . 2 . . . B 33 PHE HB3 . 25831 2 392 . 2 2 33 33 PHE HD1 H 1 7.622 0.002 . 3 . . . B 33 PHE HD1 . 25831 2 393 . 2 2 33 33 PHE HD2 H 1 7.622 0.002 . 3 . . . B 33 PHE HD2 . 25831 2 394 . 2 2 33 33 PHE HE1 H 1 7.150 0.002 . 3 . . . B 33 PHE HE1 . 25831 2 395 . 2 2 33 33 PHE HE2 H 1 7.150 0.002 . 3 . . . B 33 PHE HE2 . 25831 2 396 . 2 2 33 33 PHE HZ H 1 7.021 0.002 . 1 . . . B 33 PHE HZ . 25831 2 397 . 2 2 33 33 PHE C C 13 177.706 0.000 . 1 . . . B 33 PHE C . 25831 2 398 . 2 2 33 33 PHE CA C 13 61.577 0.011 . 1 . . . B 33 PHE CA . 25831 2 399 . 2 2 33 33 PHE CB C 13 39.146 0.017 . 1 . . . B 33 PHE CB . 25831 2 400 . 2 2 33 33 PHE CD1 C 13 131.645 0.025 . 3 . . . B 33 PHE CD1 . 25831 2 401 . 2 2 33 33 PHE CE1 C 13 131.649 0.024 . 3 . . . B 33 PHE CE1 . 25831 2 402 . 2 2 33 33 PHE CZ C 13 129.900 0.024 . 1 . . . B 33 PHE CZ . 25831 2 403 . 2 2 33 33 PHE N N 15 113.884 0.008 . 1 . . . B 33 PHE N . 25831 2 404 . 2 2 34 34 GLY H H 1 8.406 0.001 . 1 . . . B 34 GLY H . 25831 2 405 . 2 2 34 34 GLY HA2 H 1 4.105 0.000 . 2 . . . B 34 GLY HA2 . 25831 2 406 . 2 2 34 34 GLY HA3 H 1 4.421 0.002 . 2 . . . B 34 GLY HA3 . 25831 2 407 . 2 2 34 34 GLY C C 13 175.241 0.022 . 1 . . . B 34 GLY C . 25831 2 408 . 2 2 34 34 GLY CA C 13 46.789 0.012 . 1 . . . B 34 GLY CA . 25831 2 409 . 2 2 34 34 GLY N N 15 109.052 0.007 . 1 . . . B 34 GLY N . 25831 2 410 . 2 2 35 35 GLN H H 1 7.132 0.002 . 1 . . . B 35 GLN H . 25831 2 411 . 2 2 35 35 GLN HA H 1 4.111 0.000 . 1 . . . B 35 GLN HA . 25831 2 412 . 2 2 35 35 GLN HB2 H 1 1.692 0.000 . 2 . . . B 35 GLN HB2 . 25831 2 413 . 2 2 35 35 GLN HB3 H 1 1.691 0.000 . 2 . . . B 35 GLN HB3 . 25831 2 414 . 2 2 35 35 GLN HG2 H 1 1.525 0.002 . 2 . . . B 35 GLN HG2 . 25831 2 415 . 2 2 35 35 GLN HG3 H 1 1.987 0.000 . 2 . . . B 35 GLN HG3 . 25831 2 416 . 2 2 35 35 GLN HE21 H 1 7.668 0.001 . 2 . . . B 35 GLN HE21 . 25831 2 417 . 2 2 35 35 GLN HE22 H 1 6.910 0.077 . 2 . . . B 35 GLN HE22 . 25831 2 418 . 2 2 35 35 GLN C C 13 176.461 0.019 . 1 . . . B 35 GLN C . 25831 2 419 . 2 2 35 35 GLN CA C 13 57.116 0.015 . 1 . . . B 35 GLN CA . 25831 2 420 . 2 2 35 35 GLN CB C 13 28.710 0.012 . 1 . . . B 35 GLN CB . 25831 2 421 . 2 2 35 35 GLN CG C 13 33.364 0.005 . 1 . . . B 35 GLN CG . 25831 2 422 . 2 2 35 35 GLN N N 15 116.021 0.006 . 1 . . . B 35 GLN N . 25831 2 423 . 2 2 35 35 GLN NE2 N 15 112.731 0.007 . 1 . . . B 35 GLN NE2 . 25831 2 424 . 2 2 36 36 PHE H H 1 7.969 0.002 . 1 . . . B 36 PHE H . 25831 2 425 . 2 2 36 36 PHE HA H 1 4.422 0.001 . 1 . . . B 36 PHE HA . 25831 2 426 . 2 2 36 36 PHE HB2 H 1 3.172 0.030 . 2 . . . B 36 PHE HB2 . 25831 2 427 . 2 2 36 36 PHE HB3 H 1 3.395 0.021 . 2 . . . B 36 PHE HB3 . 25831 2 428 . 2 2 36 36 PHE HD1 H 1 7.434 0.004 . 3 . . . B 36 PHE HD1 . 25831 2 429 . 2 2 36 36 PHE HD2 H 1 7.434 0.004 . 3 . . . B 36 PHE HD2 . 25831 2 430 . 2 2 36 36 PHE HE1 H 1 7.258 0.002 . 3 . . . B 36 PHE HE1 . 25831 2 431 . 2 2 36 36 PHE HE2 H 1 7.258 0.002 . 3 . . . B 36 PHE HE2 . 25831 2 432 . 2 2 36 36 PHE HZ H 1 7.146 0.004 . 1 . . . B 36 PHE HZ . 25831 2 433 . 2 2 36 36 PHE C C 13 174.405 0.000 . 1 . . . B 36 PHE C . 25831 2 434 . 2 2 36 36 PHE CA C 13 59.497 0.030 . 1 . . . B 36 PHE CA . 25831 2 435 . 2 2 36 36 PHE CB C 13 40.162 0.008 . 1 . . . B 36 PHE CB . 25831 2 436 . 2 2 36 36 PHE CD1 C 13 131.963 0.027 . 3 . . . B 36 PHE CD1 . 25831 2 437 . 2 2 36 36 PHE CE1 C 13 131.972 0.008 . 3 . . . B 36 PHE CE1 . 25831 2 438 . 2 2 36 36 PHE CZ C 13 130.009 0.025 . 1 . . . B 36 PHE CZ . 25831 2 439 . 2 2 36 36 PHE N N 15 115.495 0.006 . 1 . . . B 36 PHE N . 25831 2 440 . 2 2 37 37 GLY H H 1 7.376 0.000 . 1 . . . B 37 GLY H . 25831 2 441 . 2 2 37 37 GLY HA2 H 1 3.894 0.095 . 2 . . . B 37 GLY HA2 . 25831 2 442 . 2 2 37 37 GLY HA3 H 1 4.860 0.002 . 2 . . . B 37 GLY HA3 . 25831 2 443 . 2 2 37 37 GLY C C 13 171.558 0.026 . 1 . . . B 37 GLY C . 25831 2 444 . 2 2 37 37 GLY CA C 13 44.568 0.019 . 1 . . . B 37 GLY CA . 25831 2 445 . 2 2 37 37 GLY N N 15 104.884 0.006 . 1 . . . B 37 GLY N . 25831 2 446 . 2 2 38 38 LYS H H 1 8.384 0.001 . 1 . . . B 38 LYS H . 25831 2 447 . 2 2 38 38 LYS HA H 1 4.191 0.001 . 1 . . . B 38 LYS HA . 25831 2 448 . 2 2 38 38 LYS HB2 H 1 1.842 0.000 . 2 . . . B 38 LYS HB2 . 25831 2 449 . 2 2 38 38 LYS HB3 H 1 1.841 0.000 . 2 . . . B 38 LYS HB3 . 25831 2 450 . 2 2 38 38 LYS HG2 H 1 1.246 0.001 . 2 . . . B 38 LYS HG2 . 25831 2 451 . 2 2 38 38 LYS HG3 H 1 1.419 0.000 . 2 . . . B 38 LYS HG3 . 25831 2 452 . 2 2 38 38 LYS HD2 H 1 1.716 0.000 . 2 . . . B 38 LYS HD2 . 25831 2 453 . 2 2 38 38 LYS HE2 H 1 2.897 0.000 . 2 . . . B 38 LYS HE2 . 25831 2 454 . 2 2 38 38 LYS HE3 H 1 2.992 0.000 . 2 . . . B 38 LYS HE3 . 25831 2 455 . 2 2 38 38 LYS C C 13 176.766 0.044 . 1 . . . B 38 LYS C . 25831 2 456 . 2 2 38 38 LYS CA C 13 57.865 0.009 . 1 . . . B 38 LYS CA . 25831 2 457 . 2 2 38 38 LYS CB C 13 33.047 0.007 . 1 . . . B 38 LYS CB . 25831 2 458 . 2 2 38 38 LYS CG C 13 25.208 0.005 . 1 . . . B 38 LYS CG . 25831 2 459 . 2 2 38 38 LYS CD C 13 29.263 0.011 . 1 . . . B 38 LYS CD . 25831 2 460 . 2 2 38 38 LYS CE C 13 42.237 0.014 . 1 . . . B 38 LYS CE . 25831 2 461 . 2 2 38 38 LYS N N 15 117.780 0.012 . 1 . . . B 38 LYS N . 25831 2 462 . 2 2 39 39 ILE H H 1 8.677 0.001 . 1 . . . B 39 ILE H . 25831 2 463 . 2 2 39 39 ILE HA H 1 4.226 0.000 . 1 . . . B 39 ILE HA . 25831 2 464 . 2 2 39 39 ILE HB H 1 1.696 0.001 . 1 . . . B 39 ILE HB . 25831 2 465 . 2 2 39 39 ILE HG12 H 1 0.637 0.001 . 2 . . . B 39 ILE HG12 . 25831 2 466 . 2 2 39 39 ILE HG13 H 1 1.390 0.001 . 2 . . . B 39 ILE HG13 . 25831 2 467 . 2 2 39 39 ILE HG21 H 1 0.552 0.000 . 1 . . . B 39 ILE MG . 25831 2 468 . 2 2 39 39 ILE HG22 H 1 0.552 0.000 . 1 . . . B 39 ILE MG . 25831 2 469 . 2 2 39 39 ILE HG23 H 1 0.552 0.000 . 1 . . . B 39 ILE MG . 25831 2 470 . 2 2 39 39 ILE HD11 H 1 0.243 0.003 . 1 . . . B 39 ILE MD . 25831 2 471 . 2 2 39 39 ILE HD12 H 1 0.243 0.003 . 1 . . . B 39 ILE MD . 25831 2 472 . 2 2 39 39 ILE HD13 H 1 0.243 0.003 . 1 . . . B 39 ILE MD . 25831 2 473 . 2 2 39 39 ILE C C 13 176.531 0.013 . 1 . . . B 39 ILE C . 25831 2 474 . 2 2 39 39 ILE CA C 13 59.335 0.010 . 1 . . . B 39 ILE CA . 25831 2 475 . 2 2 39 39 ILE CB C 13 39.538 0.009 . 1 . . . B 39 ILE CB . 25831 2 476 . 2 2 39 39 ILE CG1 C 13 27.201 0.010 . 1 . . . B 39 ILE CG1 . 25831 2 477 . 2 2 39 39 ILE CG2 C 13 18.805 0.007 . 1 . . . B 39 ILE CG2 . 25831 2 478 . 2 2 39 39 ILE CD1 C 13 12.794 0.004 . 1 . . . B 39 ILE CD1 . 25831 2 479 . 2 2 39 39 ILE N N 15 128.216 0.010 . 1 . . . B 39 ILE N . 25831 2 480 . 2 2 40 40 LEU H H 1 8.750 0.000 . 1 . . . B 40 LEU H . 25831 2 481 . 2 2 40 40 LEU HA H 1 4.491 0.001 . 1 . . . B 40 LEU HA . 25831 2 482 . 2 2 40 40 LEU HB2 H 1 1.335 0.001 . 2 . . . B 40 LEU HB2 . 25831 2 483 . 2 2 40 40 LEU HB3 H 1 1.591 0.002 . 2 . . . B 40 LEU HB3 . 25831 2 484 . 2 2 40 40 LEU HG H 1 1.391 0.000 . 1 . . . B 40 LEU HG . 25831 2 485 . 2 2 40 40 LEU HD11 H 1 0.873 0.000 . 2 . . . B 40 LEU MD1 . 25831 2 486 . 2 2 40 40 LEU HD12 H 1 0.873 0.000 . 2 . . . B 40 LEU MD1 . 25831 2 487 . 2 2 40 40 LEU HD13 H 1 0.873 0.000 . 2 . . . B 40 LEU MD1 . 25831 2 488 . 2 2 40 40 LEU HD21 H 1 0.916 0.000 . 2 . . . B 40 LEU MD2 . 25831 2 489 . 2 2 40 40 LEU HD22 H 1 0.916 0.000 . 2 . . . B 40 LEU MD2 . 25831 2 490 . 2 2 40 40 LEU HD23 H 1 0.916 0.000 . 2 . . . B 40 LEU MD2 . 25831 2 491 . 2 2 40 40 LEU C C 13 176.408 0.000 . 1 . . . B 40 LEU C . 25831 2 492 . 2 2 40 40 LEU CA C 13 55.033 0.026 . 1 . . . B 40 LEU CA . 25831 2 493 . 2 2 40 40 LEU CB C 13 43.472 0.014 . 1 . . . B 40 LEU CB . 25831 2 494 . 2 2 40 40 LEU CG C 13 27.405 0.000 . 1 . . . B 40 LEU CG . 25831 2 495 . 2 2 40 40 LEU CD1 C 13 22.226 0.019 . 2 . . . B 40 LEU CD1 . 25831 2 496 . 2 2 40 40 LEU CD2 C 13 25.925 0.000 . 2 . . . B 40 LEU CD2 . 25831 2 497 . 2 2 40 40 LEU N N 15 124.451 0.008 . 1 . . . B 40 LEU N . 25831 2 498 . 2 2 41 41 ASP H H 1 7.303 0.001 . 1 . . . B 41 ASP H . 25831 2 499 . 2 2 41 41 ASP HA H 1 4.856 0.001 . 1 . . . B 41 ASP HA . 25831 2 500 . 2 2 41 41 ASP HB2 H 1 2.227 0.003 . 2 . . . B 41 ASP HB2 . 25831 2 501 . 2 2 41 41 ASP HB3 H 1 2.761 0.001 . 2 . . . B 41 ASP HB3 . 25831 2 502 . 2 2 41 41 ASP C C 13 173.625 0.024 . 1 . . . B 41 ASP C . 25831 2 503 . 2 2 41 41 ASP CA C 13 54.973 0.008 . 1 . . . B 41 ASP CA . 25831 2 504 . 2 2 41 41 ASP CB C 13 45.693 0.016 . 1 . . . B 41 ASP CB . 25831 2 505 . 2 2 41 41 ASP N N 15 116.307 0.006 . 1 . . . B 41 ASP N . 25831 2 506 . 2 2 42 42 VAL H H 1 7.949 0.001 . 1 . . . B 42 VAL H . 25831 2 507 . 2 2 42 42 VAL HA H 1 4.876 0.001 . 1 . . . B 42 VAL HA . 25831 2 508 . 2 2 42 42 VAL HB H 1 2.011 0.002 . 1 . . . B 42 VAL HB . 25831 2 509 . 2 2 42 42 VAL HG11 H 1 0.838 0.000 . 2 . . . B 42 VAL MG1 . 25831 2 510 . 2 2 42 42 VAL HG12 H 1 0.838 0.000 . 2 . . . B 42 VAL MG1 . 25831 2 511 . 2 2 42 42 VAL HG13 H 1 0.838 0.000 . 2 . . . B 42 VAL MG1 . 25831 2 512 . 2 2 42 42 VAL HG21 H 1 0.906 0.002 . 2 . . . B 42 VAL MG2 . 25831 2 513 . 2 2 42 42 VAL HG22 H 1 0.906 0.002 . 2 . . . B 42 VAL MG2 . 25831 2 514 . 2 2 42 42 VAL HG23 H 1 0.906 0.002 . 2 . . . B 42 VAL MG2 . 25831 2 515 . 2 2 42 42 VAL C C 13 173.871 0.043 . 1 . . . B 42 VAL C . 25831 2 516 . 2 2 42 42 VAL CA C 13 61.100 0.011 . 1 . . . B 42 VAL CA . 25831 2 517 . 2 2 42 42 VAL CB C 13 35.661 0.031 . 1 . . . B 42 VAL CB . 25831 2 518 . 2 2 42 42 VAL CG1 C 13 21.735 0.013 . 2 . . . B 42 VAL CG1 . 25831 2 519 . 2 2 42 42 VAL CG2 C 13 23.149 0.015 . 2 . . . B 42 VAL CG2 . 25831 2 520 . 2 2 42 42 VAL N N 15 120.390 0.011 . 1 . . . B 42 VAL N . 25831 2 521 . 2 2 43 43 GLU H H 1 8.852 0.001 . 1 . . . B 43 GLU H . 25831 2 522 . 2 2 43 43 GLU HA H 1 4.765 0.003 . 1 . . . B 43 GLU HA . 25831 2 523 . 2 2 43 43 GLU HB2 H 1 2.065 0.004 . 2 . . . B 43 GLU HB2 . 25831 2 524 . 2 2 43 43 GLU HB3 H 1 2.184 0.005 . 2 . . . B 43 GLU HB3 . 25831 2 525 . 2 2 43 43 GLU HG2 H 1 2.467 0.002 . 2 . . . B 43 GLU HG2 . 25831 2 526 . 2 2 43 43 GLU HG3 H 1 2.224 0.002 . 2 . . . B 43 GLU HG3 . 25831 2 527 . 2 2 43 43 GLU C C 13 174.113 0.064 . 1 . . . B 43 GLU C . 25831 2 528 . 2 2 43 43 GLU CA C 13 56.158 0.029 . 1 . . . B 43 GLU CA . 25831 2 529 . 2 2 43 43 GLU CB C 13 34.182 0.012 . 1 . . . B 43 GLU CB . 25831 2 530 . 2 2 43 43 GLU CG C 13 36.049 0.035 . 1 . . . B 43 GLU CG . 25831 2 531 . 2 2 43 43 GLU N N 15 124.472 0.018 . 1 . . . B 43 GLU N . 25831 2 532 . 2 2 44 44 ILE H H 1 9.014 0.002 . 1 . . . B 44 ILE H . 25831 2 533 . 2 2 44 44 ILE HA H 1 4.201 0.003 . 1 . . . B 44 ILE HA . 25831 2 534 . 2 2 44 44 ILE HB H 1 1.760 0.006 . 1 . . . B 44 ILE HB . 25831 2 535 . 2 2 44 44 ILE HG12 H 1 0.877 0.003 . 2 . . . B 44 ILE HG12 . 25831 2 536 . 2 2 44 44 ILE HG13 H 1 1.459 0.002 . 2 . . . B 44 ILE HG13 . 25831 2 537 . 2 2 44 44 ILE HG21 H 1 0.385 0.005 . 1 . . . B 44 ILE MG . 25831 2 538 . 2 2 44 44 ILE HG22 H 1 0.385 0.005 . 1 . . . B 44 ILE MG . 25831 2 539 . 2 2 44 44 ILE HG23 H 1 0.385 0.005 . 1 . . . B 44 ILE MG . 25831 2 540 . 2 2 44 44 ILE HD11 H 1 0.658 0.002 . 1 . . . B 44 ILE MD . 25831 2 541 . 2 2 44 44 ILE HD12 H 1 0.658 0.002 . 1 . . . B 44 ILE MD . 25831 2 542 . 2 2 44 44 ILE HD13 H 1 0.658 0.002 . 1 . . . B 44 ILE MD . 25831 2 543 . 2 2 44 44 ILE C C 13 173.935 0.035 . 1 . . . B 44 ILE C . 25831 2 544 . 2 2 44 44 ILE CA C 13 60.546 0.020 . 1 . . . B 44 ILE CA . 25831 2 545 . 2 2 44 44 ILE CB C 13 39.203 0.020 . 1 . . . B 44 ILE CB . 25831 2 546 . 2 2 44 44 ILE CG1 C 13 29.291 0.016 . 1 . . . B 44 ILE CG1 . 25831 2 547 . 2 2 44 44 ILE CG2 C 13 17.365 0.023 . 1 . . . B 44 ILE CG2 . 25831 2 548 . 2 2 44 44 ILE CD1 C 13 12.875 0.011 . 1 . . . B 44 ILE CD1 . 25831 2 549 . 2 2 44 44 ILE N N 15 127.942 0.012 . 1 . . . B 44 ILE N . 25831 2 550 . 2 2 45 45 ILE H H 1 7.258 0.001 . 1 . . . B 45 ILE H . 25831 2 551 . 2 2 45 45 ILE HA H 1 4.237 0.002 . 1 . . . B 45 ILE HA . 25831 2 552 . 2 2 45 45 ILE HB H 1 0.757 0.006 . 1 . . . B 45 ILE HB . 25831 2 553 . 2 2 45 45 ILE HG12 H 1 1.423 0.005 . 2 . . . B 45 ILE HG12 . 25831 2 554 . 2 2 45 45 ILE HG21 H 1 0.737 0.004 . 1 . . . B 45 ILE MG . 25831 2 555 . 2 2 45 45 ILE HG22 H 1 0.737 0.004 . 1 . . . B 45 ILE MG . 25831 2 556 . 2 2 45 45 ILE HG23 H 1 0.737 0.004 . 1 . . . B 45 ILE MG . 25831 2 557 . 2 2 45 45 ILE HD11 H 1 0.959 0.004 . 1 . . . B 45 ILE MD . 25831 2 558 . 2 2 45 45 ILE HD12 H 1 0.959 0.004 . 1 . . . B 45 ILE MD . 25831 2 559 . 2 2 45 45 ILE HD13 H 1 0.959 0.004 . 1 . . . B 45 ILE MD . 25831 2 560 . 2 2 45 45 ILE C C 13 173.790 0.000 . 1 . . . B 45 ILE C . 25831 2 561 . 2 2 45 45 ILE CA C 13 58.292 0.037 . 1 . . . B 45 ILE CA . 25831 2 562 . 2 2 45 45 ILE CB C 13 34.560 0.028 . 1 . . . B 45 ILE CB . 25831 2 563 . 2 2 45 45 ILE CG1 C 13 28.853 0.016 . 1 . . . B 45 ILE CG1 . 25831 2 564 . 2 2 45 45 ILE CG2 C 13 18.417 0.026 . 1 . . . B 45 ILE CG2 . 25831 2 565 . 2 2 45 45 ILE CD1 C 13 9.823 0.031 . 1 . . . B 45 ILE CD1 . 25831 2 566 . 2 2 45 45 ILE N N 15 125.325 0.008 . 1 . . . B 45 ILE N . 25831 2 567 . 2 2 46 46 PHE H H 1 7.176 0.001 . 1 . . . B 46 PHE H . 25831 2 568 . 2 2 46 46 PHE HA H 1 4.665 0.002 . 1 . . . B 46 PHE HA . 25831 2 569 . 2 2 46 46 PHE HB2 H 1 2.526 0.061 . 2 . . . B 46 PHE HB2 . 25831 2 570 . 2 2 46 46 PHE HB3 H 1 1.890 0.090 . 2 . . . B 46 PHE HB3 . 25831 2 571 . 2 2 46 46 PHE HD1 H 1 6.810 0.005 . 3 . . . B 46 PHE HD1 . 25831 2 572 . 2 2 46 46 PHE HD2 H 1 6.810 0.005 . 3 . . . B 46 PHE HD2 . 25831 2 573 . 2 2 46 46 PHE HE1 H 1 6.960 0.002 . 3 . . . B 46 PHE HE1 . 25831 2 574 . 2 2 46 46 PHE HE2 H 1 6.960 0.002 . 3 . . . B 46 PHE HE2 . 25831 2 575 . 2 2 46 46 PHE HZ H 1 6.875 0.001 . 1 . . . B 46 PHE HZ . 25831 2 576 . 2 2 46 46 PHE C C 13 175.024 0.000 . 1 . . . B 46 PHE C . 25831 2 577 . 2 2 46 46 PHE CA C 13 56.090 0.018 . 1 . . . B 46 PHE CA . 25831 2 578 . 2 2 46 46 PHE CB C 13 43.626 0.019 . 1 . . . B 46 PHE CB . 25831 2 579 . 2 2 46 46 PHE CD2 C 13 132.297 0.099 . 3 . . . B 46 PHE CD2 . 25831 2 580 . 2 2 46 46 PHE CE2 C 13 131.087 0.048 . 3 . . . B 46 PHE CE2 . 25831 2 581 . 2 2 46 46 PHE CZ C 13 129.106 0.003 . 1 . . . B 46 PHE CZ . 25831 2 582 . 2 2 46 46 PHE N N 15 124.818 0.004 . 1 . . . B 46 PHE N . 25831 2 583 . 2 2 47 47 ASN H H 1 8.603 0.000 . 1 . . . B 47 ASN H . 25831 2 584 . 2 2 47 47 ASN HA H 1 4.501 0.003 . 1 . . . B 47 ASN HA . 25831 2 585 . 2 2 47 47 ASN HB2 H 1 2.813 0.003 . 2 . . . B 47 ASN HB2 . 25831 2 586 . 2 2 47 47 ASN HB3 H 1 3.443 0.002 . 2 . . . B 47 ASN HB3 . 25831 2 587 . 2 2 47 47 ASN HD21 H 1 7.722 0.000 . 2 . . . B 47 ASN HD21 . 25831 2 588 . 2 2 47 47 ASN HD22 H 1 8.541 0.000 . 2 . . . B 47 ASN HD22 . 25831 2 589 . 2 2 47 47 ASN C C 13 176.788 0.041 . 1 . . . B 47 ASN C . 25831 2 590 . 2 2 47 47 ASN CA C 13 51.847 0.021 . 1 . . . B 47 ASN CA . 25831 2 591 . 2 2 47 47 ASN CB C 13 39.276 0.025 . 1 . . . B 47 ASN CB . 25831 2 592 . 2 2 47 47 ASN N N 15 117.274 0.012 . 1 . . . B 47 ASN N . 25831 2 593 . 2 2 47 47 ASN ND2 N 15 114.336 0.011 . 1 . . . B 47 ASN ND2 . 25831 2 594 . 2 2 48 48 GLU H H 1 9.637 0.002 . 1 . . . B 48 GLU H . 25831 2 595 . 2 2 48 48 GLU HA H 1 4.257 0.004 . 1 . . . B 48 GLU HA . 25831 2 596 . 2 2 48 48 GLU HB2 H 1 2.108 0.006 . 2 . . . B 48 GLU HB2 . 25831 2 597 . 2 2 48 48 GLU HB3 H 1 2.191 0.006 . 2 . . . B 48 GLU HB3 . 25831 2 598 . 2 2 48 48 GLU HG2 H 1 2.458 0.002 . 2 . . . B 48 GLU HG2 . 25831 2 599 . 2 2 48 48 GLU HG3 H 1 2.238 0.002 . 2 . . . B 48 GLU HG3 . 25831 2 600 . 2 2 48 48 GLU C C 13 177.020 0.056 . 1 . . . B 48 GLU C . 25831 2 601 . 2 2 48 48 GLU CA C 13 59.101 0.024 . 1 . . . B 48 GLU CA . 25831 2 602 . 2 2 48 48 GLU CB C 13 28.442 0.025 . 1 . . . B 48 GLU CB . 25831 2 603 . 2 2 48 48 GLU CG C 13 36.079 0.018 . 1 . . . B 48 GLU CG . 25831 2 604 . 2 2 48 48 GLU N N 15 118.972 0.007 . 1 . . . B 48 GLU N . 25831 2 605 . 2 2 49 49 ARG H H 1 7.763 0.001 . 1 . . . B 49 ARG H . 25831 2 606 . 2 2 49 49 ARG HA H 1 4.254 0.002 . 1 . . . B 49 ARG HA . 25831 2 607 . 2 2 49 49 ARG HB2 H 1 1.426 0.002 . 2 . . . B 49 ARG HB2 . 25831 2 608 . 2 2 49 49 ARG HB3 H 1 1.685 0.002 . 2 . . . B 49 ARG HB3 . 25831 2 609 . 2 2 49 49 ARG HG2 H 1 1.430 0.003 . 2 . . . B 49 ARG HG2 . 25831 2 610 . 2 2 49 49 ARG HD2 H 1 2.991 0.007 . 2 . . . B 49 ARG HD2 . 25831 2 611 . 2 2 49 49 ARG HD3 H 1 3.071 0.007 . 2 . . . B 49 ARG HD3 . 25831 2 612 . 2 2 49 49 ARG HE H 1 6.830 0.000 . 1 . . . B 49 ARG HE . 25831 2 613 . 2 2 49 49 ARG C C 13 174.710 0.022 . 1 . . . B 49 ARG C . 25831 2 614 . 2 2 49 49 ARG CA C 13 55.302 0.016 . 1 . . . B 49 ARG CA . 25831 2 615 . 2 2 49 49 ARG CB C 13 30.294 0.084 . 1 . . . B 49 ARG CB . 25831 2 616 . 2 2 49 49 ARG CG C 13 27.444 0.026 . 1 . . . B 49 ARG CG . 25831 2 617 . 2 2 49 49 ARG CD C 13 43.726 0.030 . 1 . . . B 49 ARG CD . 25831 2 618 . 2 2 49 49 ARG N N 15 118.265 0.010 . 1 . . . B 49 ARG N . 25831 2 619 . 2 2 49 49 ARG NE N 15 83.095 0.003 . 1 . . . B 49 ARG NE . 25831 2 620 . 2 2 50 50 GLY H H 1 7.657 0.002 . 1 . . . B 50 GLY H . 25831 2 621 . 2 2 50 50 GLY HA2 H 1 3.596 0.002 . 2 . . . B 50 GLY HA2 . 25831 2 622 . 2 2 50 50 GLY HA3 H 1 4.138 0.053 . 2 . . . B 50 GLY HA3 . 25831 2 623 . 2 2 50 50 GLY C C 13 172.860 0.059 . 1 . . . B 50 GLY C . 25831 2 624 . 2 2 50 50 GLY CA C 13 43.742 0.053 . 1 . . . B 50 GLY CA . 25831 2 625 . 2 2 50 50 GLY N N 15 106.507 0.012 . 1 . . . B 50 GLY N . 25831 2 626 . 2 2 51 51 SER H H 1 8.246 0.008 . 1 . . . B 51 SER H . 25831 2 627 . 2 2 51 51 SER HA H 1 3.334 0.003 . 1 . . . B 51 SER HA . 25831 2 628 . 2 2 51 51 SER HB2 H 1 3.624 0.003 . 2 . . . B 51 SER HB2 . 25831 2 629 . 2 2 51 51 SER HB3 H 1 3.605 0.005 . 2 . . . B 51 SER HB3 . 25831 2 630 . 2 2 51 51 SER C C 13 176.949 0.000 . 1 . . . B 51 SER C . 25831 2 631 . 2 2 51 51 SER CA C 13 58.037 0.020 . 1 . . . B 51 SER CA . 25831 2 632 . 2 2 51 51 SER CB C 13 63.987 0.018 . 1 . . . B 51 SER CB . 25831 2 633 . 2 2 51 51 SER N N 15 115.160 0.006 . 1 . . . B 51 SER N . 25831 2 634 . 2 2 52 52 LYS H H 1 9.064 0.003 . 1 . . . B 52 LYS H . 25831 2 635 . 2 2 52 52 LYS HA H 1 3.811 0.004 . 1 . . . B 52 LYS HA . 25831 2 636 . 2 2 52 52 LYS HB2 H 1 0.842 0.001 . 2 . . . B 52 LYS HB2 . 25831 2 637 . 2 2 52 52 LYS HB3 H 1 1.709 0.000 . 2 . . . B 52 LYS HB3 . 25831 2 638 . 2 2 52 52 LYS HG2 H 1 0.538 0.004 . 2 . . . B 52 LYS HG2 . 25831 2 639 . 2 2 52 52 LYS HG3 H 1 1.125 0.002 . 2 . . . B 52 LYS HG3 . 25831 2 640 . 2 2 52 52 LYS HD2 H 1 1.356 0.003 . 2 . . . B 52 LYS HD2 . 25831 2 641 . 2 2 52 52 LYS HD3 H 1 1.446 0.003 . 2 . . . B 52 LYS HD3 . 25831 2 642 . 2 2 52 52 LYS HE2 H 1 2.371 0.002 . 2 . . . B 52 LYS HE2 . 25831 2 643 . 2 2 52 52 LYS HE3 H 1 2.883 0.000 . 2 . . . B 52 LYS HE3 . 25831 2 644 . 2 2 52 52 LYS C C 13 178.453 0.019 . 1 . . . B 52 LYS C . 25831 2 645 . 2 2 52 52 LYS CA C 13 57.436 0.017 . 1 . . . B 52 LYS CA . 25831 2 646 . 2 2 52 52 LYS CB C 13 30.696 0.022 . 1 . . . B 52 LYS CB . 25831 2 647 . 2 2 52 52 LYS CG C 13 27.066 0.029 . 1 . . . B 52 LYS CG . 25831 2 648 . 2 2 52 52 LYS CD C 13 28.847 0.006 . 1 . . . B 52 LYS CD . 25831 2 649 . 2 2 52 52 LYS CE C 13 41.883 0.041 . 1 . . . B 52 LYS CE . 25831 2 650 . 2 2 52 52 LYS N N 15 123.228 0.006 . 1 . . . B 52 LYS N . 25831 2 651 . 2 2 53 53 GLY H H 1 9.437 0.003 . 1 . . . B 53 GLY H . 25831 2 652 . 2 2 53 53 GLY HA2 H 1 3.252 0.002 . 2 . . . B 53 GLY HA2 . 25831 2 653 . 2 2 53 53 GLY HA3 H 1 4.564 0.003 . 2 . . . B 53 GLY HA3 . 25831 2 654 . 2 2 53 53 GLY C C 13 173.395 0.040 . 1 . . . B 53 GLY C . 25831 2 655 . 2 2 53 53 GLY CA C 13 46.523 0.019 . 1 . . . B 53 GLY CA . 25831 2 656 . 2 2 53 53 GLY N N 15 107.475 0.011 . 1 . . . B 53 GLY N . 25831 2 657 . 2 2 54 54 PHE H H 1 7.288 0.001 . 1 . . . B 54 PHE H . 25831 2 658 . 2 2 54 54 PHE HA H 1 5.278 0.001 . 1 . . . B 54 PHE HA . 25831 2 659 . 2 2 54 54 PHE HB2 H 1 3.165 0.000 . 2 . . . B 54 PHE HB2 . 25831 2 660 . 2 2 54 54 PHE HB3 H 1 3.409 0.001 . 2 . . . B 54 PHE HB3 . 25831 2 661 . 2 2 54 54 PHE HD1 H 1 6.907 0.003 . 3 . . . B 54 PHE HD1 . 25831 2 662 . 2 2 54 54 PHE HD2 H 1 6.907 0.003 . 3 . . . B 54 PHE HD2 . 25831 2 663 . 2 2 54 54 PHE HE1 H 1 7.358 0.006 . 3 . . . B 54 PHE HE1 . 25831 2 664 . 2 2 54 54 PHE HE2 H 1 7.358 0.006 . 3 . . . B 54 PHE HE2 . 25831 2 665 . 2 2 54 54 PHE HZ H 1 7.441 0.003 . 1 . . . B 54 PHE HZ . 25831 2 666 . 2 2 54 54 PHE C C 13 171.294 0.000 . 1 . . . B 54 PHE C . 25831 2 667 . 2 2 54 54 PHE CA C 13 55.336 0.023 . 1 . . . B 54 PHE CA . 25831 2 668 . 2 2 54 54 PHE CB C 13 42.138 0.016 . 1 . . . B 54 PHE CB . 25831 2 669 . 2 2 54 54 PHE CD2 C 13 133.009 0.050 . 3 . . . B 54 PHE CD2 . 25831 2 670 . 2 2 54 54 PHE CE2 C 13 132.175 0.076 . 3 . . . B 54 PHE CE2 . 25831 2 671 . 2 2 54 54 PHE CZ C 13 129.521 0.043 . 1 . . . B 54 PHE CZ . 25831 2 672 . 2 2 54 54 PHE N N 15 113.084 0.008 . 1 . . . B 54 PHE N . 25831 2 673 . 2 2 55 55 GLY H H 1 8.802 0.001 . 1 . . . B 55 GLY H . 25831 2 674 . 2 2 55 55 GLY HA2 H 1 3.947 0.001 . 2 . . . B 55 GLY HA2 . 25831 2 675 . 2 2 55 55 GLY HA3 H 1 4.162 0.001 . 2 . . . B 55 GLY HA3 . 25831 2 676 . 2 2 55 55 GLY C C 13 169.764 0.000 . 1 . . . B 55 GLY C . 25831 2 677 . 2 2 55 55 GLY CA C 13 45.836 0.029 . 1 . . . B 55 GLY CA . 25831 2 678 . 2 2 55 55 GLY N N 15 105.336 0.006 . 1 . . . B 55 GLY N . 25831 2 679 . 2 2 56 56 PHE H H 1 9.106 0.003 . 1 . . . B 56 PHE H . 25831 2 680 . 2 2 56 56 PHE HA H 1 5.796 0.001 . 1 . . . B 56 PHE HA . 25831 2 681 . 2 2 56 56 PHE HB2 H 1 2.678 0.002 . 2 . . . B 56 PHE HB2 . 25831 2 682 . 2 2 56 56 PHE HB3 H 1 3.063 0.002 . 2 . . . B 56 PHE HB3 . 25831 2 683 . 2 2 56 56 PHE HD1 H 1 6.845 0.003 . 3 . . . B 56 PHE HD1 . 25831 2 684 . 2 2 56 56 PHE HD2 H 1 6.845 0.003 . 3 . . . B 56 PHE HD2 . 25831 2 685 . 2 2 56 56 PHE C C 13 175.012 0.020 . 1 . . . B 56 PHE C . 25831 2 686 . 2 2 56 56 PHE CA C 13 56.229 0.013 . 1 . . . B 56 PHE CA . 25831 2 687 . 2 2 56 56 PHE CB C 13 43.753 0.025 . 1 . . . B 56 PHE CB . 25831 2 688 . 2 2 56 56 PHE CD1 C 13 128.814 0.026 . 3 . . . B 56 PHE CD1 . 25831 2 689 . 2 2 56 56 PHE N N 15 116.600 0.008 . 1 . . . B 56 PHE N . 25831 2 690 . 2 2 57 57 VAL H H 1 8.571 0.003 . 1 . . . B 57 VAL H . 25831 2 691 . 2 2 57 57 VAL HA H 1 4.760 0.002 . 1 . . . B 57 VAL HA . 25831 2 692 . 2 2 57 57 VAL HB H 1 1.382 0.004 . 1 . . . B 57 VAL HB . 25831 2 693 . 2 2 57 57 VAL HG11 H 1 0.241 0.005 . 2 . . . B 57 VAL MG1 . 25831 2 694 . 2 2 57 57 VAL HG12 H 1 0.241 0.005 . 2 . . . B 57 VAL MG1 . 25831 2 695 . 2 2 57 57 VAL HG13 H 1 0.241 0.005 . 2 . . . B 57 VAL MG1 . 25831 2 696 . 2 2 57 57 VAL HG21 H 1 0.298 0.003 . 2 . . . B 57 VAL MG2 . 25831 2 697 . 2 2 57 57 VAL HG22 H 1 0.298 0.003 . 2 . . . B 57 VAL MG2 . 25831 2 698 . 2 2 57 57 VAL HG23 H 1 0.298 0.003 . 2 . . . B 57 VAL MG2 . 25831 2 699 . 2 2 57 57 VAL C C 13 174.907 0.005 . 1 . . . B 57 VAL C . 25831 2 700 . 2 2 57 57 VAL CA C 13 60.319 0.007 . 1 . . . B 57 VAL CA . 25831 2 701 . 2 2 57 57 VAL CB C 13 36.613 0.013 . 1 . . . B 57 VAL CB . 25831 2 702 . 2 2 57 57 VAL CG1 C 13 20.761 0.030 . 2 . . . B 57 VAL CG1 . 25831 2 703 . 2 2 57 57 VAL CG2 C 13 21.364 0.008 . 2 . . . B 57 VAL CG2 . 25831 2 704 . 2 2 57 57 VAL N N 15 116.793 0.016 . 1 . . . B 57 VAL N . 25831 2 705 . 2 2 58 58 THR H H 1 9.182 0.001 . 1 . . . B 58 THR H . 25831 2 706 . 2 2 58 58 THR HA H 1 5.037 0.000 . 1 . . . B 58 THR HA . 25831 2 707 . 2 2 58 58 THR HB H 1 3.951 0.000 . 1 . . . B 58 THR HB . 25831 2 708 . 2 2 58 58 THR HG21 H 1 1.163 0.001 . 1 . . . B 58 THR MG . 25831 2 709 . 2 2 58 58 THR HG22 H 1 1.163 0.001 . 1 . . . B 58 THR MG . 25831 2 710 . 2 2 58 58 THR HG23 H 1 1.163 0.001 . 1 . . . B 58 THR MG . 25831 2 711 . 2 2 58 58 THR C C 13 174.422 0.000 . 1 . . . B 58 THR C . 25831 2 712 . 2 2 58 58 THR CA C 13 62.013 0.019 . 1 . . . B 58 THR CA . 25831 2 713 . 2 2 58 58 THR CB C 13 69.737 0.006 . 1 . . . B 58 THR CB . 25831 2 714 . 2 2 58 58 THR CG2 C 13 24.079 0.006 . 1 . . . B 58 THR CG2 . 25831 2 715 . 2 2 58 58 THR N N 15 123.072 0.009 . 1 . . . B 58 THR N . 25831 2 716 . 2 2 59 59 PHE H H 1 9.261 0.002 . 1 . . . B 59 PHE H . 25831 2 717 . 2 2 59 59 PHE HA H 1 4.857 0.002 . 1 . . . B 59 PHE HA . 25831 2 718 . 2 2 59 59 PHE HB2 H 1 2.850 0.081 . 2 . . . B 59 PHE HB2 . 25831 2 719 . 2 2 59 59 PHE HB3 H 1 3.679 0.081 . 2 . . . B 59 PHE HB3 . 25831 2 720 . 2 2 59 59 PHE HD1 H 1 7.293 0.007 . 3 . . . B 59 PHE HD1 . 25831 2 721 . 2 2 59 59 PHE HD2 H 1 7.293 0.007 . 3 . . . B 59 PHE HD2 . 25831 2 722 . 2 2 59 59 PHE HE1 H 1 7.195 0.003 . 3 . . . B 59 PHE HE1 . 25831 2 723 . 2 2 59 59 PHE HE2 H 1 7.195 0.003 . 3 . . . B 59 PHE HE2 . 25831 2 724 . 2 2 59 59 PHE HZ H 1 7.648 0.002 . 1 . . . B 59 PHE HZ . 25831 2 725 . 2 2 59 59 PHE C C 13 174.877 0.059 . 1 . . . B 59 PHE C . 25831 2 726 . 2 2 59 59 PHE CA C 13 58.118 0.008 . 1 . . . B 59 PHE CA . 25831 2 727 . 2 2 59 59 PHE CB C 13 41.273 0.014 . 1 . . . B 59 PHE CB . 25831 2 728 . 2 2 59 59 PHE CD1 C 13 131.882 0.037 . 3 . . . B 59 PHE CD1 . 25831 2 729 . 2 2 59 59 PHE CE1 C 13 131.671 0.024 . 3 . . . B 59 PHE CE1 . 25831 2 730 . 2 2 59 59 PHE CZ C 13 130.115 0.028 . 1 . . . B 59 PHE CZ . 25831 2 731 . 2 2 59 59 PHE N N 15 128.554 0.005 . 1 . . . B 59 PHE N . 25831 2 732 . 2 2 60 60 GLU H H 1 8.008 0.002 . 1 . . . B 60 GLU H . 25831 2 733 . 2 2 60 60 GLU HA H 1 3.858 0.001 . 1 . . . B 60 GLU HA . 25831 2 734 . 2 2 60 60 GLU HB2 H 1 1.766 0.001 . 2 . . . B 60 GLU HB2 . 25831 2 735 . 2 2 60 60 GLU HB3 H 1 2.257 0.000 . 2 . . . B 60 GLU HB3 . 25831 2 736 . 2 2 60 60 GLU HG2 H 1 2.245 0.002 . 2 . . . B 60 GLU HG2 . 25831 2 737 . 2 2 60 60 GLU C C 13 174.493 0.000 . 1 . . . B 60 GLU C . 25831 2 738 . 2 2 60 60 GLU CA C 13 59.729 0.011 . 1 . . . B 60 GLU CA . 25831 2 739 . 2 2 60 60 GLU CB C 13 30.878 0.007 . 1 . . . B 60 GLU CB . 25831 2 740 . 2 2 60 60 GLU CG C 13 37.554 0.008 . 1 . . . B 60 GLU CG . 25831 2 741 . 2 2 60 60 GLU N N 15 121.327 0.010 . 1 . . . B 60 GLU N . 25831 2 742 . 2 2 61 61 ASN H H 1 9.370 0.000 . 1 . . . B 61 ASN H . 25831 2 743 . 2 2 61 61 ASN HA H 1 5.092 0.001 . 1 . . . B 61 ASN HA . 25831 2 744 . 2 2 61 61 ASN HB2 H 1 2.841 0.000 . 2 . . . B 61 ASN HB2 . 25831 2 745 . 2 2 61 61 ASN HB3 H 1 3.009 0.001 . 2 . . . B 61 ASN HB3 . 25831 2 746 . 2 2 61 61 ASN HD21 H 1 7.168 0.000 . 2 . . . B 61 ASN HD21 . 25831 2 747 . 2 2 61 61 ASN HD22 H 1 7.669 0.000 . 2 . . . B 61 ASN HD22 . 25831 2 748 . 2 2 61 61 ASN C C 13 176.612 0.017 . 1 . . . B 61 ASN C . 25831 2 749 . 2 2 61 61 ASN CA C 13 51.555 0.013 . 1 . . . B 61 ASN CA . 25831 2 750 . 2 2 61 61 ASN CB C 13 40.731 0.038 . 1 . . . B 61 ASN CB . 25831 2 751 . 2 2 61 61 ASN N N 15 113.873 0.005 . 1 . . . B 61 ASN N . 25831 2 752 . 2 2 61 61 ASN ND2 N 15 114.685 0.009 . 1 . . . B 61 ASN ND2 . 25831 2 753 . 2 2 62 62 SER H H 1 8.913 0.001 . 1 . . . B 62 SER H . 25831 2 754 . 2 2 62 62 SER HA H 1 3.988 0.000 . 1 . . . B 62 SER HA . 25831 2 755 . 2 2 62 62 SER HB2 H 1 3.994 0.000 . 2 . . . B 62 SER HB2 . 25831 2 756 . 2 2 62 62 SER HB3 H 1 3.990 0.000 . 2 . . . B 62 SER HB3 . 25831 2 757 . 2 2 62 62 SER C C 13 175.038 0.000 . 1 . . . B 62 SER C . 25831 2 758 . 2 2 62 62 SER CA C 13 62.092 0.010 . 1 . . . B 62 SER CA . 25831 2 759 . 2 2 62 62 SER CB C 13 63.201 0.011 . 1 . . . B 62 SER CB . 25831 2 760 . 2 2 62 62 SER N N 15 122.424 0.006 . 1 . . . B 62 SER N . 25831 2 761 . 2 2 63 63 ALA H H 1 8.404 0.000 . 1 . . . B 63 ALA H . 25831 2 762 . 2 2 63 63 ALA HA H 1 4.177 0.001 . 1 . . . B 63 ALA HA . 25831 2 763 . 2 2 63 63 ALA HB1 H 1 1.465 0.001 . 1 . . . B 63 ALA MB . 25831 2 764 . 2 2 63 63 ALA HB2 H 1 1.465 0.001 . 1 . . . B 63 ALA MB . 25831 2 765 . 2 2 63 63 ALA HB3 H 1 1.465 0.001 . 1 . . . B 63 ALA MB . 25831 2 766 . 2 2 63 63 ALA C C 13 180.732 0.005 . 1 . . . B 63 ALA C . 25831 2 767 . 2 2 63 63 ALA CA C 13 55.183 0.003 . 1 . . . B 63 ALA CA . 25831 2 768 . 2 2 63 63 ALA CB C 13 18.330 0.012 . 1 . . . B 63 ALA CB . 25831 2 769 . 2 2 63 63 ALA N N 15 123.229 0.010 . 1 . . . B 63 ALA N . 25831 2 770 . 2 2 64 64 ASP H H 1 7.332 0.000 . 1 . . . B 64 ASP H . 25831 2 771 . 2 2 64 64 ASP HA H 1 4.371 0.003 . 1 . . . B 64 ASP HA . 25831 2 772 . 2 2 64 64 ASP HB2 H 1 2.763 0.025 . 2 . . . B 64 ASP HB2 . 25831 2 773 . 2 2 64 64 ASP HB3 H 1 3.032 0.003 . 2 . . . B 64 ASP HB3 . 25831 2 774 . 2 2 64 64 ASP C C 13 176.928 0.008 . 1 . . . B 64 ASP C . 25831 2 775 . 2 2 64 64 ASP CA C 13 56.775 0.027 . 1 . . . B 64 ASP CA . 25831 2 776 . 2 2 64 64 ASP CB C 13 40.527 0.022 . 1 . . . B 64 ASP CB . 25831 2 777 . 2 2 64 64 ASP N N 15 119.380 0.007 . 1 . . . B 64 ASP N . 25831 2 778 . 2 2 65 65 ALA H H 1 6.823 0.001 . 1 . . . B 65 ALA H . 25831 2 779 . 2 2 65 65 ALA HA H 1 2.878 0.002 . 1 . . . B 65 ALA HA . 25831 2 780 . 2 2 65 65 ALA HB1 H 1 1.354 0.001 . 1 . . . B 65 ALA MB . 25831 2 781 . 2 2 65 65 ALA HB2 H 1 1.354 0.001 . 1 . . . B 65 ALA MB . 25831 2 782 . 2 2 65 65 ALA HB3 H 1 1.354 0.001 . 1 . . . B 65 ALA MB . 25831 2 783 . 2 2 65 65 ALA C C 13 178.725 0.022 . 1 . . . B 65 ALA C . 25831 2 784 . 2 2 65 65 ALA CA C 13 54.241 0.011 . 1 . . . B 65 ALA CA . 25831 2 785 . 2 2 65 65 ALA CB C 13 18.532 0.007 . 1 . . . B 65 ALA CB . 25831 2 786 . 2 2 65 65 ALA N N 15 120.883 0.009 . 1 . . . B 65 ALA N . 25831 2 787 . 2 2 66 66 ASP H H 1 8.010 0.002 . 1 . . . B 66 ASP H . 25831 2 788 . 2 2 66 66 ASP HA H 1 4.254 0.001 . 1 . . . B 66 ASP HA . 25831 2 789 . 2 2 66 66 ASP HB2 H 1 2.648 0.000 . 2 . . . B 66 ASP HB2 . 25831 2 790 . 2 2 66 66 ASP HB3 H 1 2.648 0.000 . 2 . . . B 66 ASP HB3 . 25831 2 791 . 2 2 66 66 ASP C C 13 178.931 0.042 . 1 . . . B 66 ASP C . 25831 2 792 . 2 2 66 66 ASP CA C 13 57.487 0.018 . 1 . . . B 66 ASP CA . 25831 2 793 . 2 2 66 66 ASP CB C 13 39.751 0.006 . 1 . . . B 66 ASP CB . 25831 2 794 . 2 2 66 66 ASP N N 15 117.162 0.006 . 1 . . . B 66 ASP N . 25831 2 795 . 2 2 67 67 ARG H H 1 7.527 0.000 . 1 . . . B 67 ARG H . 25831 2 796 . 2 2 67 67 ARG HA H 1 3.997 0.000 . 1 . . . B 67 ARG HA . 25831 2 797 . 2 2 67 67 ARG HB2 H 1 1.923 0.000 . 2 . . . B 67 ARG HB2 . 25831 2 798 . 2 2 67 67 ARG HB3 H 1 2.071 0.001 . 2 . . . B 67 ARG HB3 . 25831 2 799 . 2 2 67 67 ARG HG2 H 1 1.704 0.001 . 2 . . . B 67 ARG HG2 . 25831 2 800 . 2 2 67 67 ARG HG3 H 1 1.823 0.000 . 2 . . . B 67 ARG HG3 . 25831 2 801 . 2 2 67 67 ARG HD2 H 1 3.374 0.005 . 2 . . . B 67 ARG HD2 . 25831 2 802 . 2 2 67 67 ARG HD3 H 1 3.422 0.000 . 2 . . . B 67 ARG HD3 . 25831 2 803 . 2 2 67 67 ARG C C 13 177.810 0.041 . 1 . . . B 67 ARG C . 25831 2 804 . 2 2 67 67 ARG CA C 13 59.436 0.011 . 1 . . . B 67 ARG CA . 25831 2 805 . 2 2 67 67 ARG CB C 13 30.597 0.008 . 1 . . . B 67 ARG CB . 25831 2 806 . 2 2 67 67 ARG CG C 13 28.851 0.015 . 1 . . . B 67 ARG CG . 25831 2 807 . 2 2 67 67 ARG CD C 13 43.446 0.011 . 1 . . . B 67 ARG CD . 25831 2 808 . 2 2 67 67 ARG N N 15 121.256 0.008 . 1 . . . B 67 ARG N . 25831 2 809 . 2 2 68 68 ALA H H 1 7.863 0.000 . 1 . . . B 68 ALA H . 25831 2 810 . 2 2 68 68 ALA HA H 1 2.175 0.003 . 1 . . . B 68 ALA HA . 25831 2 811 . 2 2 68 68 ALA HB1 H 1 1.125 0.003 . 1 . . . B 68 ALA MB . 25831 2 812 . 2 2 68 68 ALA HB2 H 1 1.125 0.003 . 1 . . . B 68 ALA MB . 25831 2 813 . 2 2 68 68 ALA HB3 H 1 1.125 0.003 . 1 . . . B 68 ALA MB . 25831 2 814 . 2 2 68 68 ALA C C 13 178.980 0.001 . 1 . . . B 68 ALA C . 25831 2 815 . 2 2 68 68 ALA CA C 13 54.527 0.016 . 1 . . . B 68 ALA CA . 25831 2 816 . 2 2 68 68 ALA CB C 13 19.779 0.018 . 1 . . . B 68 ALA CB . 25831 2 817 . 2 2 68 68 ALA N N 15 121.499 0.009 . 1 . . . B 68 ALA N . 25831 2 818 . 2 2 69 69 ARG H H 1 8.273 0.000 . 1 . . . B 69 ARG H . 25831 2 819 . 2 2 69 69 ARG HA H 1 3.638 0.001 . 1 . . . B 69 ARG HA . 25831 2 820 . 2 2 69 69 ARG HB2 H 1 1.949 0.000 . 2 . . . B 69 ARG HB2 . 25831 2 821 . 2 2 69 69 ARG HB3 H 1 1.672 0.001 . 2 . . . B 69 ARG HB3 . 25831 2 822 . 2 2 69 69 ARG HG2 H 1 1.491 0.000 . 2 . . . B 69 ARG HG2 . 25831 2 823 . 2 2 69 69 ARG HG3 H 1 1.403 0.001 . 2 . . . B 69 ARG HG3 . 25831 2 824 . 2 2 69 69 ARG HD2 H 1 3.004 0.000 . 2 . . . B 69 ARG HD2 . 25831 2 825 . 2 2 69 69 ARG HE H 1 7.253 0.000 . 1 . . . B 69 ARG HE . 25831 2 826 . 2 2 69 69 ARG C C 13 177.680 0.012 . 1 . . . B 69 ARG C . 25831 2 827 . 2 2 69 69 ARG CA C 13 60.629 0.013 . 1 . . . B 69 ARG CA . 25831 2 828 . 2 2 69 69 ARG CB C 13 29.890 0.017 . 1 . . . B 69 ARG CB . 25831 2 829 . 2 2 69 69 ARG CG C 13 27.471 0.003 . 1 . . . B 69 ARG CG . 25831 2 830 . 2 2 69 69 ARG CD C 13 43.507 0.003 . 1 . . . B 69 ARG CD . 25831 2 831 . 2 2 69 69 ARG N N 15 116.943 0.007 . 1 . . . B 69 ARG N . 25831 2 832 . 2 2 69 69 ARG NE N 15 84.261 0.003 . 1 . . . B 69 ARG NE . 25831 2 833 . 2 2 70 70 GLU H H 1 7.719 0.001 . 1 . . . B 70 GLU H . 25831 2 834 . 2 2 70 70 GLU HA H 1 3.944 0.000 . 1 . . . B 70 GLU HA . 25831 2 835 . 2 2 70 70 GLU HB2 H 1 2.060 0.003 . 2 . . . B 70 GLU HB2 . 25831 2 836 . 2 2 70 70 GLU HB3 H 1 2.095 0.000 . 2 . . . B 70 GLU HB3 . 25831 2 837 . 2 2 70 70 GLU HG2 H 1 2.361 0.001 . 2 . . . B 70 GLU HG2 . 25831 2 838 . 2 2 70 70 GLU HG3 H 1 2.238 0.000 . 2 . . . B 70 GLU HG3 . 25831 2 839 . 2 2 70 70 GLU C C 13 178.960 0.000 . 1 . . . B 70 GLU C . 25831 2 840 . 2 2 70 70 GLU CA C 13 59.042 0.002 . 1 . . . B 70 GLU CA . 25831 2 841 . 2 2 70 70 GLU CB C 13 29.744 0.003 . 1 . . . B 70 GLU CB . 25831 2 842 . 2 2 70 70 GLU CG C 13 36.252 0.017 . 1 . . . B 70 GLU CG . 25831 2 843 . 2 2 70 70 GLU N N 15 116.392 0.009 . 1 . . . B 70 GLU N . 25831 2 844 . 2 2 71 71 LYS H H 1 7.772 0.001 . 1 . . . B 71 LYS H . 25831 2 845 . 2 2 71 71 LYS HA H 1 4.248 0.002 . 1 . . . B 71 LYS HA . 25831 2 846 . 2 2 71 71 LYS HB2 H 1 1.772 0.002 . 2 . . . B 71 LYS HB2 . 25831 2 847 . 2 2 71 71 LYS HB3 H 1 1.755 0.000 . 2 . . . B 71 LYS HB3 . 25831 2 848 . 2 2 71 71 LYS HG2 H 1 1.640 0.001 . 2 . . . B 71 LYS HG2 . 25831 2 849 . 2 2 71 71 LYS HG3 H 1 1.530 0.000 . 2 . . . B 71 LYS HG3 . 25831 2 850 . 2 2 71 71 LYS HD2 H 1 1.741 0.005 . 2 . . . B 71 LYS HD2 . 25831 2 851 . 2 2 71 71 LYS HE2 H 1 3.000 0.000 . 2 . . . B 71 LYS HE2 . 25831 2 852 . 2 2 71 71 LYS HE3 H 1 3.064 0.000 . 2 . . . B 71 LYS HE3 . 25831 2 853 . 2 2 71 71 LYS C C 13 178.481 0.026 . 1 . . . B 71 LYS C . 25831 2 854 . 2 2 71 71 LYS CA C 13 56.829 0.002 . 1 . . . B 71 LYS CA . 25831 2 855 . 2 2 71 71 LYS CB C 13 32.865 0.009 . 1 . . . B 71 LYS CB . 25831 2 856 . 2 2 71 71 LYS CG C 13 24.949 0.012 . 1 . . . B 71 LYS CG . 25831 2 857 . 2 2 71 71 LYS CD C 13 28.221 0.018 . 1 . . . B 71 LYS CD . 25831 2 858 . 2 2 71 71 LYS CE C 13 42.283 0.009 . 1 . . . B 71 LYS CE . 25831 2 859 . 2 2 71 71 LYS N N 15 115.449 0.008 . 1 . . . B 71 LYS N . 25831 2 860 . 2 2 72 72 LEU H H 1 8.253 0.002 . 1 . . . B 72 LEU H . 25831 2 861 . 2 2 72 72 LEU HA H 1 4.440 0.000 . 1 . . . B 72 LEU HA . 25831 2 862 . 2 2 72 72 LEU HB2 H 1 1.055 0.001 . 2 . . . B 72 LEU HB2 . 25831 2 863 . 2 2 72 72 LEU HB3 H 1 1.728 0.000 . 2 . . . B 72 LEU HB3 . 25831 2 864 . 2 2 72 72 LEU HG H 1 1.451 0.000 . 1 . . . B 72 LEU HG . 25831 2 865 . 2 2 72 72 LEU HD11 H 1 0.771 0.003 . 2 . . . B 72 LEU MD1 . 25831 2 866 . 2 2 72 72 LEU HD12 H 1 0.771 0.003 . 2 . . . B 72 LEU MD1 . 25831 2 867 . 2 2 72 72 LEU HD13 H 1 0.771 0.003 . 2 . . . B 72 LEU MD1 . 25831 2 868 . 2 2 72 72 LEU HD21 H 1 0.116 0.002 . 2 . . . B 72 LEU MD2 . 25831 2 869 . 2 2 72 72 LEU HD22 H 1 0.116 0.002 . 2 . . . B 72 LEU MD2 . 25831 2 870 . 2 2 72 72 LEU HD23 H 1 0.116 0.002 . 2 . . . B 72 LEU MD2 . 25831 2 871 . 2 2 72 72 LEU C C 13 179.287 0.001 . 1 . . . B 72 LEU C . 25831 2 872 . 2 2 72 72 LEU CA C 13 55.337 0.008 . 1 . . . B 72 LEU CA . 25831 2 873 . 2 2 72 72 LEU CB C 13 43.891 0.024 . 1 . . . B 72 LEU CB . 25831 2 874 . 2 2 72 72 LEU CG C 13 26.671 0.009 . 1 . . . B 72 LEU CG . 25831 2 875 . 2 2 72 72 LEU CD1 C 13 22.318 0.005 . 2 . . . B 72 LEU CD1 . 25831 2 876 . 2 2 72 72 LEU CD2 C 13 26.129 0.002 . 2 . . . B 72 LEU CD2 . 25831 2 877 . 2 2 72 72 LEU N N 15 115.267 0.006 . 1 . . . B 72 LEU N . 25831 2 878 . 2 2 73 73 HIS H H 1 8.138 0.001 . 1 . . . B 73 HIS H . 25831 2 879 . 2 2 73 73 HIS HA H 1 4.144 0.003 . 1 . . . B 73 HIS HA . 25831 2 880 . 2 2 73 73 HIS HB2 H 1 3.156 0.002 . 2 . . . B 73 HIS HB2 . 25831 2 881 . 2 2 73 73 HIS HB3 H 1 3.348 0.003 . 2 . . . B 73 HIS HB3 . 25831 2 882 . 2 2 73 73 HIS HD2 H 1 6.923 0.008 . 1 . . . B 73 HIS HD2 . 25831 2 883 . 2 2 73 73 HIS HE1 H 1 7.734 0.002 . 1 . . . B 73 HIS HE1 . 25831 2 884 . 2 2 73 73 HIS C C 13 177.176 0.031 . 1 . . . B 73 HIS C . 25831 2 885 . 2 2 73 73 HIS CA C 13 60.615 0.003 . 1 . . . B 73 HIS CA . 25831 2 886 . 2 2 73 73 HIS CB C 13 31.191 0.017 . 1 . . . B 73 HIS CB . 25831 2 887 . 2 2 73 73 HIS CD2 C 13 118.039 0.016 . 1 . . . B 73 HIS CD2 . 25831 2 888 . 2 2 73 73 HIS CE1 C 13 139.114 0.026 . 1 . . . B 73 HIS CE1 . 25831 2 889 . 2 2 73 73 HIS N N 15 120.609 0.016 . 1 . . . B 73 HIS N . 25831 2 890 . 2 2 74 74 GLY H H 1 8.068 0.001 . 1 . . . B 74 GLY H . 25831 2 891 . 2 2 74 74 GLY HA2 H 1 3.311 0.058 . 2 . . . B 74 GLY HA2 . 25831 2 892 . 2 2 74 74 GLY HA3 H 1 3.880 0.002 . 2 . . . B 74 GLY HA3 . 25831 2 893 . 2 2 74 74 GLY C C 13 174.196 0.000 . 1 . . . B 74 GLY C . 25831 2 894 . 2 2 74 74 GLY CA C 13 45.448 0.028 . 1 . . . B 74 GLY CA . 25831 2 895 . 2 2 74 74 GLY N N 15 115.858 0.008 . 1 . . . B 74 GLY N . 25831 2 896 . 2 2 75 75 THR H H 1 7.578 0.000 . 1 . . . B 75 THR H . 25831 2 897 . 2 2 75 75 THR HA H 1 4.273 0.000 . 1 . . . B 75 THR HA . 25831 2 898 . 2 2 75 75 THR HB H 1 4.117 0.001 . 1 . . . B 75 THR HB . 25831 2 899 . 2 2 75 75 THR HG21 H 1 1.225 0.001 . 1 . . . B 75 THR MG . 25831 2 900 . 2 2 75 75 THR HG22 H 1 1.225 0.001 . 1 . . . B 75 THR MG . 25831 2 901 . 2 2 75 75 THR HG23 H 1 1.225 0.001 . 1 . . . B 75 THR MG . 25831 2 902 . 2 2 75 75 THR C C 13 172.381 0.009 . 1 . . . B 75 THR C . 25831 2 903 . 2 2 75 75 THR CA C 13 62.154 0.022 . 1 . . . B 75 THR CA . 25831 2 904 . 2 2 75 75 THR CB C 13 70.618 0.020 . 1 . . . B 75 THR CB . 25831 2 905 . 2 2 75 75 THR CG2 C 13 22.445 0.007 . 1 . . . B 75 THR CG2 . 25831 2 906 . 2 2 75 75 THR N N 15 112.811 0.003 . 1 . . . B 75 THR N . 25831 2 907 . 2 2 76 76 VAL H H 1 8.267 0.002 . 1 . . . B 76 VAL H . 25831 2 908 . 2 2 76 76 VAL HA H 1 4.498 0.001 . 1 . . . B 76 VAL HA . 25831 2 909 . 2 2 76 76 VAL HB H 1 1.820 0.000 . 1 . . . B 76 VAL HB . 25831 2 910 . 2 2 76 76 VAL HG11 H 1 0.591 0.001 . 2 . . . B 76 VAL MG1 . 25831 2 911 . 2 2 76 76 VAL HG12 H 1 0.591 0.001 . 2 . . . B 76 VAL MG1 . 25831 2 912 . 2 2 76 76 VAL HG13 H 1 0.591 0.001 . 2 . . . B 76 VAL MG1 . 25831 2 913 . 2 2 76 76 VAL HG21 H 1 0.768 0.000 . 2 . . . B 76 VAL MG2 . 25831 2 914 . 2 2 76 76 VAL HG22 H 1 0.768 0.000 . 2 . . . B 76 VAL MG2 . 25831 2 915 . 2 2 76 76 VAL HG23 H 1 0.768 0.000 . 2 . . . B 76 VAL MG2 . 25831 2 916 . 2 2 76 76 VAL C C 13 176.481 0.000 . 1 . . . B 76 VAL C . 25831 2 917 . 2 2 76 76 VAL CA C 13 61.906 0.027 . 1 . . . B 76 VAL CA . 25831 2 918 . 2 2 76 76 VAL CB C 13 31.898 0.020 . 1 . . . B 76 VAL CB . 25831 2 919 . 2 2 76 76 VAL CG1 C 13 21.165 0.008 . 2 . . . B 76 VAL CG1 . 25831 2 920 . 2 2 76 76 VAL CG2 C 13 21.551 0.014 . 2 . . . B 76 VAL CG2 . 25831 2 921 . 2 2 76 76 VAL N N 15 121.084 0.007 . 1 . . . B 76 VAL N . 25831 2 922 . 2 2 77 77 VAL H H 1 9.145 0.001 . 1 . . . B 77 VAL H . 25831 2 923 . 2 2 77 77 VAL HA H 1 4.182 0.000 . 1 . . . B 77 VAL HA . 25831 2 924 . 2 2 77 77 VAL HB H 1 1.799 0.002 . 1 . . . B 77 VAL HB . 25831 2 925 . 2 2 77 77 VAL HG21 H 1 0.868 0.003 . 2 . . . B 77 VAL MG2 . 25831 2 926 . 2 2 77 77 VAL HG22 H 1 0.868 0.003 . 2 . . . B 77 VAL MG2 . 25831 2 927 . 2 2 77 77 VAL HG23 H 1 0.868 0.003 . 2 . . . B 77 VAL MG2 . 25831 2 928 . 2 2 77 77 VAL C C 13 174.603 0.015 . 1 . . . B 77 VAL C . 25831 2 929 . 2 2 77 77 VAL CA C 13 61.205 0.004 . 1 . . . B 77 VAL CA . 25831 2 930 . 2 2 77 77 VAL CB C 13 34.255 0.014 . 1 . . . B 77 VAL CB . 25831 2 931 . 2 2 77 77 VAL CG2 C 13 21.619 0.004 . 2 . . . B 77 VAL CG2 . 25831 2 932 . 2 2 77 77 VAL N N 15 130.065 0.008 . 1 . . . B 77 VAL N . 25831 2 933 . 2 2 78 78 GLU H H 1 9.303 0.001 . 1 . . . B 78 GLU H . 25831 2 934 . 2 2 78 78 GLU HA H 1 3.740 0.001 . 1 . . . B 78 GLU HA . 25831 2 935 . 2 2 78 78 GLU HB2 H 1 1.819 0.000 . 2 . . . B 78 GLU HB2 . 25831 2 936 . 2 2 78 78 GLU HB3 H 1 2.120 0.001 . 2 . . . B 78 GLU HB3 . 25831 2 937 . 2 2 78 78 GLU HG2 H 1 2.292 0.005 . 2 . . . B 78 GLU HG2 . 25831 2 938 . 2 2 78 78 GLU C C 13 176.683 0.008 . 1 . . . B 78 GLU C . 25831 2 939 . 2 2 78 78 GLU CA C 13 56.995 0.022 . 1 . . . B 78 GLU CA . 25831 2 940 . 2 2 78 78 GLU CB C 13 27.185 0.026 . 1 . . . B 78 GLU CB . 25831 2 941 . 2 2 78 78 GLU CG C 13 36.836 0.009 . 1 . . . B 78 GLU CG . 25831 2 942 . 2 2 78 78 GLU N N 15 125.713 0.006 . 1 . . . B 78 GLU N . 25831 2 943 . 2 2 79 79 GLY H H 1 7.998 0.001 . 1 . . . B 79 GLY H . 25831 2 944 . 2 2 79 79 GLY HA2 H 1 3.363 0.001 . 2 . . . B 79 GLY HA2 . 25831 2 945 . 2 2 79 79 GLY HA3 H 1 4.041 0.002 . 2 . . . B 79 GLY HA3 . 25831 2 946 . 2 2 79 79 GLY C C 13 173.881 0.008 . 1 . . . B 79 GLY C . 25831 2 947 . 2 2 79 79 GLY CA C 13 45.232 0.028 . 1 . . . B 79 GLY CA . 25831 2 948 . 2 2 79 79 GLY N N 15 101.912 0.006 . 1 . . . B 79 GLY N . 25831 2 949 . 2 2 80 80 ARG H H 1 7.864 0.000 . 1 . . . B 80 ARG H . 25831 2 950 . 2 2 80 80 ARG HA H 1 4.292 0.001 . 1 . . . B 80 ARG HA . 25831 2 951 . 2 2 80 80 ARG HB2 H 1 1.641 0.007 . 2 . . . B 80 ARG HB2 . 25831 2 952 . 2 2 80 80 ARG HB3 H 1 1.688 0.000 . 2 . . . B 80 ARG HB3 . 25831 2 953 . 2 2 80 80 ARG HG2 H 1 1.127 0.000 . 2 . . . B 80 ARG HG2 . 25831 2 954 . 2 2 80 80 ARG HG3 H 1 1.327 0.002 . 2 . . . B 80 ARG HG3 . 25831 2 955 . 2 2 80 80 ARG HD2 H 1 2.258 0.002 . 2 . . . B 80 ARG HD2 . 25831 2 956 . 2 2 80 80 ARG HD3 H 1 2.830 0.000 . 2 . . . B 80 ARG HD3 . 25831 2 957 . 2 2 80 80 ARG HE H 1 5.875 0.000 . 1 . . . B 80 ARG HE . 25831 2 958 . 2 2 80 80 ARG C C 13 173.946 0.000 . 1 . . . B 80 ARG C . 25831 2 959 . 2 2 80 80 ARG CA C 13 55.051 0.027 . 1 . . . B 80 ARG CA . 25831 2 960 . 2 2 80 80 ARG CB C 13 31.342 0.005 . 1 . . . B 80 ARG CB . 25831 2 961 . 2 2 80 80 ARG CG C 13 27.133 0.013 . 1 . . . B 80 ARG CG . 25831 2 962 . 2 2 80 80 ARG CD C 13 41.743 0.017 . 1 . . . B 80 ARG CD . 25831 2 963 . 2 2 80 80 ARG N N 15 120.724 0.009 . 1 . . . B 80 ARG N . 25831 2 964 . 2 2 80 80 ARG NE N 15 79.059 0.006 . 1 . . . B 80 ARG NE . 25831 2 965 . 2 2 81 81 LYS H H 1 8.422 0.002 . 1 . . . B 81 LYS H . 25831 2 966 . 2 2 81 81 LYS HA H 1 4.435 0.000 . 1 . . . B 81 LYS HA . 25831 2 967 . 2 2 81 81 LYS HB2 H 1 1.443 0.000 . 2 . . . B 81 LYS HB2 . 25831 2 968 . 2 2 81 81 LYS HB3 H 1 1.575 0.001 . 2 . . . B 81 LYS HB3 . 25831 2 969 . 2 2 81 81 LYS HG2 H 1 1.033 0.003 . 2 . . . B 81 LYS HG2 . 25831 2 970 . 2 2 81 81 LYS HG3 H 1 1.103 0.000 . 2 . . . B 81 LYS HG3 . 25831 2 971 . 2 2 81 81 LYS HD2 H 1 1.531 0.001 . 2 . . . B 81 LYS HD2 . 25831 2 972 . 2 2 81 81 LYS HE2 H 1 2.845 0.001 . 2 . . . B 81 LYS HE2 . 25831 2 973 . 2 2 81 81 LYS C C 13 176.683 0.039 . 1 . . . B 81 LYS C . 25831 2 974 . 2 2 81 81 LYS CA C 13 55.929 0.007 . 1 . . . B 81 LYS CA . 25831 2 975 . 2 2 81 81 LYS CB C 13 32.105 0.007 . 1 . . . B 81 LYS CB . 25831 2 976 . 2 2 81 81 LYS CG C 13 24.648 0.006 . 1 . . . B 81 LYS CG . 25831 2 977 . 2 2 81 81 LYS CD C 13 29.392 0.013 . 1 . . . B 81 LYS CD . 25831 2 978 . 2 2 81 81 LYS CE C 13 41.473 0.018 . 1 . . . B 81 LYS CE . 25831 2 979 . 2 2 81 81 LYS N N 15 123.857 0.014 . 1 . . . B 81 LYS N . 25831 2 980 . 2 2 82 82 ILE H H 1 8.887 0.001 . 1 . . . B 82 ILE H . 25831 2 981 . 2 2 82 82 ILE HA H 1 4.523 0.004 . 1 . . . B 82 ILE HA . 25831 2 982 . 2 2 82 82 ILE HB H 1 1.828 0.001 . 1 . . . B 82 ILE HB . 25831 2 983 . 2 2 82 82 ILE HG12 H 1 1.225 0.002 . 2 . . . B 82 ILE HG12 . 25831 2 984 . 2 2 82 82 ILE HG13 H 1 1.468 0.002 . 2 . . . B 82 ILE HG13 . 25831 2 985 . 2 2 82 82 ILE HG21 H 1 0.706 0.003 . 1 . . . B 82 ILE MG . 25831 2 986 . 2 2 82 82 ILE HG22 H 1 0.706 0.003 . 1 . . . B 82 ILE MG . 25831 2 987 . 2 2 82 82 ILE HG23 H 1 0.706 0.003 . 1 . . . B 82 ILE MG . 25831 2 988 . 2 2 82 82 ILE HD11 H 1 0.577 0.001 . 1 . . . B 82 ILE MD . 25831 2 989 . 2 2 82 82 ILE HD12 H 1 0.577 0.001 . 1 . . . B 82 ILE MD . 25831 2 990 . 2 2 82 82 ILE HD13 H 1 0.577 0.001 . 1 . . . B 82 ILE MD . 25831 2 991 . 2 2 82 82 ILE C C 13 175.707 0.008 . 1 . . . B 82 ILE C . 25831 2 992 . 2 2 82 82 ILE CA C 13 61.258 0.020 . 1 . . . B 82 ILE CA . 25831 2 993 . 2 2 82 82 ILE CB C 13 39.383 0.018 . 1 . . . B 82 ILE CB . 25831 2 994 . 2 2 82 82 ILE CG1 C 13 25.808 0.021 . 1 . . . B 82 ILE CG1 . 25831 2 995 . 2 2 82 82 ILE CG2 C 13 17.998 0.005 . 1 . . . B 82 ILE CG2 . 25831 2 996 . 2 2 82 82 ILE CD1 C 13 13.985 0.006 . 1 . . . B 82 ILE CD1 . 25831 2 997 . 2 2 82 82 ILE N N 15 126.488 0.008 . 1 . . . B 82 ILE N . 25831 2 998 . 2 2 83 83 GLU H H 1 7.977 0.000 . 1 . . . B 83 GLU H . 25831 2 999 . 2 2 83 83 GLU HA H 1 5.139 0.004 . 1 . . . B 83 GLU HA . 25831 2 1000 . 2 2 83 83 GLU HB2 H 1 1.661 0.002 . 2 . . . B 83 GLU HB2 . 25831 2 1001 . 2 2 83 83 GLU HB3 H 1 1.926 0.002 . 2 . . . B 83 GLU HB3 . 25831 2 1002 . 2 2 83 83 GLU HG2 H 1 2.055 0.002 . 2 . . . B 83 GLU HG2 . 25831 2 1003 . 2 2 83 83 GLU C C 13 175.792 0.000 . 1 . . . B 83 GLU C . 25831 2 1004 . 2 2 83 83 GLU CA C 13 53.528 0.011 . 1 . . . B 83 GLU CA . 25831 2 1005 . 2 2 83 83 GLU CB C 13 32.631 0.019 . 1 . . . B 83 GLU CB . 25831 2 1006 . 2 2 83 83 GLU CG C 13 35.703 0.019 . 1 . . . B 83 GLU CG . 25831 2 1007 . 2 2 83 83 GLU N N 15 121.646 0.009 . 1 . . . B 83 GLU N . 25831 2 1008 . 2 2 84 84 VAL H H 1 11.519 0.001 . 1 . . . B 84 VAL H . 25831 2 1009 . 2 2 84 84 VAL HA H 1 5.059 0.004 . 1 . . . B 84 VAL HA . 25831 2 1010 . 2 2 84 84 VAL HB H 1 2.188 0.001 . 1 . . . B 84 VAL HB . 25831 2 1011 . 2 2 84 84 VAL HG11 H 1 1.008 0.003 . 2 . . . B 84 VAL MG1 . 25831 2 1012 . 2 2 84 84 VAL HG12 H 1 1.008 0.003 . 2 . . . B 84 VAL MG1 . 25831 2 1013 . 2 2 84 84 VAL HG13 H 1 1.008 0.003 . 2 . . . B 84 VAL MG1 . 25831 2 1014 . 2 2 84 84 VAL HG21 H 1 1.041 0.005 . 2 . . . B 84 VAL MG2 . 25831 2 1015 . 2 2 84 84 VAL HG22 H 1 1.041 0.005 . 2 . . . B 84 VAL MG2 . 25831 2 1016 . 2 2 84 84 VAL HG23 H 1 1.041 0.005 . 2 . . . B 84 VAL MG2 . 25831 2 1017 . 2 2 84 84 VAL C C 13 173.093 0.032 . 1 . . . B 84 VAL C . 25831 2 1018 . 2 2 84 84 VAL CA C 13 61.645 0.011 . 1 . . . B 84 VAL CA . 25831 2 1019 . 2 2 84 84 VAL CB C 13 34.007 0.033 . 1 . . . B 84 VAL CB . 25831 2 1020 . 2 2 84 84 VAL CG1 C 13 21.827 0.002 . 2 . . . B 84 VAL CG1 . 25831 2 1021 . 2 2 84 84 VAL CG2 C 13 24.679 0.001 . 2 . . . B 84 VAL CG2 . 25831 2 1022 . 2 2 84 84 VAL N N 15 127.418 0.006 . 1 . . . B 84 VAL N . 25831 2 1023 . 2 2 85 85 ASN H H 1 9.559 0.001 . 1 . . . B 85 ASN H . 25831 2 1024 . 2 2 85 85 ASN HA H 1 4.999 0.000 . 1 . . . B 85 ASN HA . 25831 2 1025 . 2 2 85 85 ASN HB2 H 1 2.676 0.000 . 2 . . . B 85 ASN HB2 . 25831 2 1026 . 2 2 85 85 ASN HB3 H 1 3.055 0.001 . 2 . . . B 85 ASN HB3 . 25831 2 1027 . 2 2 85 85 ASN HD21 H 1 9.050 0.000 . 2 . . . B 85 ASN HD21 . 25831 2 1028 . 2 2 85 85 ASN HD22 H 1 7.192 0.000 . 2 . . . B 85 ASN HD22 . 25831 2 1029 . 2 2 85 85 ASN C C 13 175.618 0.028 . 1 . . . B 85 ASN C . 25831 2 1030 . 2 2 85 85 ASN CA C 13 51.235 0.020 . 1 . . . B 85 ASN CA . 25831 2 1031 . 2 2 85 85 ASN CB C 13 44.683 0.018 . 1 . . . B 85 ASN CB . 25831 2 1032 . 2 2 85 85 ASN N N 15 124.383 0.009 . 1 . . . B 85 ASN N . 25831 2 1033 . 2 2 85 85 ASN ND2 N 15 118.567 0.000 . 1 . . . B 85 ASN ND2 . 25831 2 1034 . 2 2 86 86 ASN H H 1 9.035 0.001 . 1 . . . B 86 ASN H . 25831 2 1035 . 2 2 86 86 ASN HA H 1 4.891 0.000 . 1 . . . B 86 ASN HA . 25831 2 1036 . 2 2 86 86 ASN HB2 H 1 2.700 0.000 . 2 . . . B 86 ASN HB2 . 25831 2 1037 . 2 2 86 86 ASN HB3 H 1 2.912 0.002 . 2 . . . B 86 ASN HB3 . 25831 2 1038 . 2 2 86 86 ASN HD21 H 1 6.884 0.002 . 2 . . . B 86 ASN HD21 . 25831 2 1039 . 2 2 86 86 ASN HD22 H 1 7.550 0.000 . 2 . . . B 86 ASN HD22 . 25831 2 1040 . 2 2 86 86 ASN C C 13 176.632 0.020 . 1 . . . B 86 ASN C . 25831 2 1041 . 2 2 86 86 ASN CA C 13 55.171 0.008 . 1 . . . B 86 ASN CA . 25831 2 1042 . 2 2 86 86 ASN CB C 13 38.261 0.023 . 1 . . . B 86 ASN CB . 25831 2 1043 . 2 2 86 86 ASN N N 15 119.202 0.007 . 1 . . . B 86 ASN N . 25831 2 1044 . 2 2 86 86 ASN ND2 N 15 111.527 0.006 . 1 . . . B 86 ASN ND2 . 25831 2 1045 . 2 2 87 87 ALA H H 1 8.557 0.002 . 1 . . . B 87 ALA H . 25831 2 1046 . 2 2 87 87 ALA HA H 1 5.226 0.002 . 1 . . . B 87 ALA HA . 25831 2 1047 . 2 2 87 87 ALA HB1 H 1 1.532 0.002 . 1 . . . B 87 ALA MB . 25831 2 1048 . 2 2 87 87 ALA HB2 H 1 1.532 0.002 . 1 . . . B 87 ALA MB . 25831 2 1049 . 2 2 87 87 ALA HB3 H 1 1.532 0.002 . 1 . . . B 87 ALA MB . 25831 2 1050 . 2 2 87 87 ALA C C 13 178.865 0.027 . 1 . . . B 87 ALA C . 25831 2 1051 . 2 2 87 87 ALA CA C 13 52.145 0.024 . 1 . . . B 87 ALA CA . 25831 2 1052 . 2 2 87 87 ALA CB C 13 19.308 0.020 . 1 . . . B 87 ALA CB . 25831 2 1053 . 2 2 87 87 ALA N N 15 125.729 0.010 . 1 . . . B 87 ALA N . 25831 2 1054 . 2 2 88 88 THR H H 1 8.640 0.001 . 1 . . . B 88 THR H . 25831 2 1055 . 2 2 88 88 THR HA H 1 4.280 0.002 . 1 . . . B 88 THR HA . 25831 2 1056 . 2 2 88 88 THR HB H 1 4.298 0.003 . 1 . . . B 88 THR HB . 25831 2 1057 . 2 2 88 88 THR HG21 H 1 1.111 0.001 . 1 . . . B 88 THR MG . 25831 2 1058 . 2 2 88 88 THR HG22 H 1 1.111 0.001 . 1 . . . B 88 THR MG . 25831 2 1059 . 2 2 88 88 THR HG23 H 1 1.111 0.001 . 1 . . . B 88 THR MG . 25831 2 1060 . 2 2 88 88 THR C C 13 175.024 0.026 . 1 . . . B 88 THR C . 25831 2 1061 . 2 2 88 88 THR CA C 13 60.615 0.027 . 1 . . . B 88 THR CA . 25831 2 1062 . 2 2 88 88 THR CB C 13 70.124 0.011 . 1 . . . B 88 THR CB . 25831 2 1063 . 2 2 88 88 THR CG2 C 13 22.364 0.017 . 1 . . . B 88 THR CG2 . 25831 2 1064 . 2 2 88 88 THR N N 15 117.302 0.012 . 1 . . . B 88 THR N . 25831 2 1065 . 2 2 89 89 ALA H H 1 8.693 0.001 . 1 . . . B 89 ALA H . 25831 2 1066 . 2 2 89 89 ALA HA H 1 4.234 0.001 . 1 . . . B 89 ALA HA . 25831 2 1067 . 2 2 89 89 ALA HB1 H 1 1.341 0.001 . 1 . . . B 89 ALA MB . 25831 2 1068 . 2 2 89 89 ALA HB2 H 1 1.341 0.001 . 1 . . . B 89 ALA MB . 25831 2 1069 . 2 2 89 89 ALA HB3 H 1 1.341 0.001 . 1 . . . B 89 ALA MB . 25831 2 1070 . 2 2 89 89 ALA C C 13 177.433 0.004 . 1 . . . B 89 ALA C . 25831 2 1071 . 2 2 89 89 ALA CA C 13 52.807 0.026 . 1 . . . B 89 ALA CA . 25831 2 1072 . 2 2 89 89 ALA CB C 13 18.724 0.017 . 1 . . . B 89 ALA CB . 25831 2 1073 . 2 2 89 89 ALA N N 15 126.543 0.013 . 1 . . . B 89 ALA N . 25831 2 1074 . 2 2 90 90 ARG H H 1 8.278 0.002 . 1 . . . B 90 ARG H . 25831 2 1075 . 2 2 90 90 ARG HA H 1 4.055 0.002 . 1 . . . B 90 ARG HA . 25831 2 1076 . 2 2 90 90 ARG HB2 H 1 1.189 0.003 . 2 . . . B 90 ARG HB2 . 25831 2 1077 . 2 2 90 90 ARG HB3 H 1 1.365 0.003 . 2 . . . B 90 ARG HB3 . 25831 2 1078 . 2 2 90 90 ARG HG2 H 1 0.955 0.004 . 2 . . . B 90 ARG HG2 . 25831 2 1079 . 2 2 90 90 ARG HG3 H 1 1.074 0.005 . 2 . . . B 90 ARG HG3 . 25831 2 1080 . 2 2 90 90 ARG HD2 H 1 2.514 0.005 . 2 . . . B 90 ARG HD2 . 25831 2 1081 . 2 2 90 90 ARG HD3 H 1 2.622 0.007 . 2 . . . B 90 ARG HD3 . 25831 2 1082 . 2 2 90 90 ARG HE H 1 6.616 0.000 . 1 . . . B 90 ARG HE . 25831 2 1083 . 2 2 90 90 ARG C C 13 176.350 0.000 . 1 . . . B 90 ARG C . 25831 2 1084 . 2 2 90 90 ARG CA C 13 55.841 0.021 . 1 . . . B 90 ARG CA . 25831 2 1085 . 2 2 90 90 ARG CB C 13 31.447 0.024 . 1 . . . B 90 ARG CB . 25831 2 1086 . 2 2 90 90 ARG CG C 13 26.962 0.022 . 1 . . . B 90 ARG CG . 25831 2 1087 . 2 2 90 90 ARG CD C 13 43.697 0.018 . 1 . . . B 90 ARG CD . 25831 2 1088 . 2 2 90 90 ARG N N 15 122.114 0.014 . 1 . . . B 90 ARG N . 25831 2 1089 . 2 2 90 90 ARG NE N 15 84.021 0.003 . 1 . . . B 90 ARG NE . 25831 2 1090 . 2 2 91 91 VAL H H 1 8.718 0.002 . 1 . . . B 91 VAL H . 25831 2 1091 . 2 2 91 91 VAL HA H 1 3.963 0.000 . 1 . . . B 91 VAL HA . 25831 2 1092 . 2 2 91 91 VAL HB H 1 2.009 0.001 . 1 . . . B 91 VAL HB . 25831 2 1093 . 2 2 91 91 VAL HG11 H 1 0.903 0.000 . 2 . . . B 91 VAL MG1 . 25831 2 1094 . 2 2 91 91 VAL HG12 H 1 0.903 0.000 . 2 . . . B 91 VAL MG1 . 25831 2 1095 . 2 2 91 91 VAL HG13 H 1 0.903 0.000 . 2 . . . B 91 VAL MG1 . 25831 2 1096 . 2 2 91 91 VAL HG21 H 1 0.960 0.001 . 2 . . . B 91 VAL MG2 . 25831 2 1097 . 2 2 91 91 VAL HG22 H 1 0.960 0.001 . 2 . . . B 91 VAL MG2 . 25831 2 1098 . 2 2 91 91 VAL HG23 H 1 0.960 0.001 . 2 . . . B 91 VAL MG2 . 25831 2 1099 . 2 2 91 91 VAL C C 13 176.350 0.000 . 1 . . . B 91 VAL C . 25831 2 1100 . 2 2 91 91 VAL CA C 13 63.044 0.020 . 1 . . . B 91 VAL CA . 25831 2 1101 . 2 2 91 91 VAL CB C 13 32.459 0.023 . 1 . . . B 91 VAL CB . 25831 2 1102 . 2 2 91 91 VAL CG1 C 13 21.320 0.021 . 2 . . . B 91 VAL CG1 . 25831 2 1103 . 2 2 91 91 VAL CG2 C 13 21.168 0.010 . 2 . . . B 91 VAL CG2 . 25831 2 1104 . 2 2 91 91 VAL N N 15 124.730 0.006 . 1 . . . B 91 VAL N . 25831 2 1105 . 2 2 92 92 MET H H 1 8.475 0.002 . 1 . . . B 92 MET H . 25831 2 1106 . 2 2 92 92 MET HA H 1 4.573 0.001 . 1 . . . B 92 MET HA . 25831 2 1107 . 2 2 92 92 MET HB2 H 1 2.060 0.000 . 2 . . . B 92 MET HB2 . 25831 2 1108 . 2 2 92 92 MET HB3 H 1 1.978 0.000 . 2 . . . B 92 MET HB3 . 25831 2 1109 . 2 2 92 92 MET HG2 H 1 2.469 0.001 . 2 . . . B 92 MET HG2 . 25831 2 1110 . 2 2 92 92 MET HG3 H 1 2.562 0.004 . 2 . . . B 92 MET HG3 . 25831 2 1111 . 2 2 92 92 MET C C 13 176.271 0.000 . 1 . . . B 92 MET C . 25831 2 1112 . 2 2 92 92 MET CA C 13 55.097 0.006 . 1 . . . B 92 MET CA . 25831 2 1113 . 2 2 92 92 MET CB C 13 32.644 0.007 . 1 . . . B 92 MET CB . 25831 2 1114 . 2 2 92 92 MET CG C 13 32.113 0.021 . 1 . . . B 92 MET CG . 25831 2 1115 . 2 2 92 92 MET N N 15 124.900 0.005 . 1 . . . B 92 MET N . 25831 2 1116 . 2 2 93 93 THR H H 1 8.160 0.001 . 1 . . . B 93 THR H . 25831 2 1117 . 2 2 93 93 THR HA H 1 4.300 0.000 . 1 . . . B 93 THR HA . 25831 2 1118 . 2 2 93 93 THR HB H 1 4.205 0.000 . 1 . . . B 93 THR HB . 25831 2 1119 . 2 2 93 93 THR HG21 H 1 1.177 0.001 . 1 . . . B 93 THR MG . 25831 2 1120 . 2 2 93 93 THR HG22 H 1 1.177 0.001 . 1 . . . B 93 THR MG . 25831 2 1121 . 2 2 93 93 THR HG23 H 1 1.177 0.001 . 1 . . . B 93 THR MG . 25831 2 1122 . 2 2 93 93 THR C C 13 174.184 0.001 . 1 . . . B 93 THR C . 25831 2 1123 . 2 2 93 93 THR CA C 13 61.837 0.011 . 1 . . . B 93 THR CA . 25831 2 1124 . 2 2 93 93 THR CB C 13 69.845 0.011 . 1 . . . B 93 THR CB . 25831 2 1125 . 2 2 93 93 THR CG2 C 13 21.711 0.019 . 1 . . . B 93 THR CG2 . 25831 2 1126 . 2 2 93 93 THR N N 15 115.843 0.007 . 1 . . . B 93 THR N . 25831 2 1127 . 2 2 94 94 ASN H H 1 8.500 0.000 . 1 . . . B 94 ASN H . 25831 2 1128 . 2 2 94 94 ASN HA H 1 4.714 0.000 . 1 . . . B 94 ASN HA . 25831 2 1129 . 2 2 94 94 ASN HB2 H 1 2.818 0.000 . 2 . . . B 94 ASN HB2 . 25831 2 1130 . 2 2 94 94 ASN HB3 H 1 2.814 0.000 . 2 . . . B 94 ASN HB3 . 25831 2 1131 . 2 2 94 94 ASN C C 13 175.236 0.008 . 1 . . . B 94 ASN C . 25831 2 1132 . 2 2 94 94 ASN CA C 13 53.346 0.026 . 1 . . . B 94 ASN CA . 25831 2 1133 . 2 2 94 94 ASN CB C 13 38.856 0.050 . 1 . . . B 94 ASN CB . 25831 2 1134 . 2 2 94 94 ASN N N 15 120.976 0.011 . 1 . . . B 94 ASN N . 25831 2 1135 . 2 2 95 95 LYS H H 1 8.291 0.000 . 1 . . . B 95 LYS H . 25831 2 1136 . 2 2 95 95 LYS HA H 1 4.291 0.000 . 1 . . . B 95 LYS HA . 25831 2 1137 . 2 2 95 95 LYS HB2 H 1 1.786 0.000 . 2 . . . B 95 LYS HB2 . 25831 2 1138 . 2 2 95 95 LYS HB3 H 1 1.836 0.000 . 2 . . . B 95 LYS HB3 . 25831 2 1139 . 2 2 95 95 LYS HG2 H 1 1.442 0.000 . 2 . . . B 95 LYS HG2 . 25831 2 1140 . 2 2 95 95 LYS HD2 H 1 1.705 0.000 . 2 . . . B 95 LYS HD2 . 25831 2 1141 . 2 2 95 95 LYS HE2 H 1 3.013 0.000 . 2 . . . B 95 LYS HE2 . 25831 2 1142 . 2 2 95 95 LYS C C 13 176.696 0.000 . 1 . . . B 95 LYS C . 25831 2 1143 . 2 2 95 95 LYS CA C 13 56.720 0.024 . 1 . . . B 95 LYS CA . 25831 2 1144 . 2 2 95 95 LYS CB C 13 33.093 0.046 . 1 . . . B 95 LYS CB . 25831 2 1145 . 2 2 95 95 LYS CG C 13 24.984 0.003 . 1 . . . B 95 LYS CG . 25831 2 1146 . 2 2 95 95 LYS CD C 13 29.181 0.020 . 1 . . . B 95 LYS CD . 25831 2 1147 . 2 2 95 95 LYS CE C 13 42.134 0.014 . 1 . . . B 95 LYS CE . 25831 2 1148 . 2 2 95 95 LYS N N 15 122.037 0.005 . 1 . . . B 95 LYS N . 25831 2 1149 . 2 2 96 96 LYS H H 1 8.379 0.001 . 1 . . . B 96 LYS H . 25831 2 1150 . 2 2 96 96 LYS HA H 1 4.342 0.000 . 1 . . . B 96 LYS HA . 25831 2 1151 . 2 2 96 96 LYS HB2 H 1 1.784 0.000 . 2 . . . B 96 LYS HB2 . 25831 2 1152 . 2 2 96 96 LYS HB3 H 1 1.847 0.000 . 2 . . . B 96 LYS HB3 . 25831 2 1153 . 2 2 96 96 LYS HG2 H 1 1.420 0.000 . 2 . . . B 96 LYS HG2 . 25831 2 1154 . 2 2 96 96 LYS HD2 H 1 1.708 0.000 . 2 . . . B 96 LYS HD2 . 25831 2 1155 . 2 2 96 96 LYS HE2 H 1 3.017 0.000 . 2 . . . B 96 LYS HE2 . 25831 2 1156 . 2 2 96 96 LYS C C 13 176.828 0.000 . 1 . . . B 96 LYS C . 25831 2 1157 . 2 2 96 96 LYS CA C 13 56.669 0.019 . 1 . . . B 96 LYS CA . 25831 2 1158 . 2 2 96 96 LYS CB C 13 33.056 0.003 . 1 . . . B 96 LYS CB . 25831 2 1159 . 2 2 96 96 LYS CG C 13 25.048 0.005 . 1 . . . B 96 LYS CG . 25831 2 1160 . 2 2 96 96 LYS CD C 13 29.263 0.003 . 1 . . . B 96 LYS CD . 25831 2 1161 . 2 2 96 96 LYS CE C 13 42.211 0.021 . 1 . . . B 96 LYS CE . 25831 2 1162 . 2 2 96 96 LYS N N 15 122.355 0.015 . 1 . . . B 96 LYS N . 25831 2 1163 . 2 2 97 97 THR H H 1 8.121 0.001 . 1 . . . B 97 THR H . 25831 2 1164 . 2 2 97 97 THR HA H 1 4.293 0.000 . 1 . . . B 97 THR HA . 25831 2 1165 . 2 2 97 97 THR HB H 1 4.151 0.001 . 1 . . . B 97 THR HB . 25831 2 1166 . 2 2 97 97 THR HG21 H 1 1.170 0.000 . 1 . . . B 97 THR MG . 25831 2 1167 . 2 2 97 97 THR HG22 H 1 1.170 0.000 . 1 . . . B 97 THR MG . 25831 2 1168 . 2 2 97 97 THR HG23 H 1 1.170 0.000 . 1 . . . B 97 THR MG . 25831 2 1169 . 2 2 97 97 THR C C 13 174.328 0.051 . 1 . . . B 97 THR C . 25831 2 1170 . 2 2 97 97 THR CA C 13 62.020 0.011 . 1 . . . B 97 THR CA . 25831 2 1171 . 2 2 97 97 THR CB C 13 69.852 0.008 . 1 . . . B 97 THR CB . 25831 2 1172 . 2 2 97 97 THR CG2 C 13 21.649 0.007 . 1 . . . B 97 THR CG2 . 25831 2 1173 . 2 2 97 97 THR N N 15 115.854 0.010 . 1 . . . B 97 THR N . 25831 2 1174 . 2 2 98 98 VAL H H 1 8.056 0.001 . 1 . . . B 98 VAL H . 25831 2 1175 . 2 2 98 98 VAL HA H 1 4.033 0.003 . 1 . . . B 98 VAL HA . 25831 2 1176 . 2 2 98 98 VAL HB H 1 1.975 0.000 . 1 . . . B 98 VAL HB . 25831 2 1177 . 2 2 98 98 VAL HG11 H 1 0.819 0.003 . 2 . . . B 98 VAL MG1 . 25831 2 1178 . 2 2 98 98 VAL HG12 H 1 0.819 0.003 . 2 . . . B 98 VAL MG1 . 25831 2 1179 . 2 2 98 98 VAL HG13 H 1 0.819 0.003 . 2 . . . B 98 VAL MG1 . 25831 2 1180 . 2 2 98 98 VAL HG21 H 1 0.863 0.001 . 2 . . . B 98 VAL MG2 . 25831 2 1181 . 2 2 98 98 VAL HG22 H 1 0.863 0.001 . 2 . . . B 98 VAL MG2 . 25831 2 1182 . 2 2 98 98 VAL HG23 H 1 0.863 0.001 . 2 . . . B 98 VAL MG2 . 25831 2 1183 . 2 2 98 98 VAL C C 13 175.244 0.020 . 1 . . . B 98 VAL C . 25831 2 1184 . 2 2 98 98 VAL CA C 13 62.076 0.006 . 1 . . . B 98 VAL CA . 25831 2 1185 . 2 2 98 98 VAL CB C 13 32.894 0.013 . 1 . . . B 98 VAL CB . 25831 2 1186 . 2 2 98 98 VAL CG1 C 13 21.223 0.009 . 2 . . . B 98 VAL CG1 . 25831 2 1187 . 2 2 98 98 VAL CG2 C 13 20.731 0.004 . 2 . . . B 98 VAL CG2 . 25831 2 1188 . 2 2 98 98 VAL N N 15 122.262 0.003 . 1 . . . B 98 VAL N . 25831 2 1189 . 2 2 99 99 ASN H H 1 8.449 0.001 . 1 . . . B 99 ASN H . 25831 2 1190 . 2 2 99 99 ASN HA H 1 4.858 0.000 . 1 . . . B 99 ASN HA . 25831 2 1191 . 2 2 99 99 ASN HB2 H 1 2.611 0.004 . 2 . . . B 99 ASN HB2 . 25831 2 1192 . 2 2 99 99 ASN HB3 H 1 2.826 0.000 . 2 . . . B 99 ASN HB3 . 25831 2 1193 . 2 2 99 99 ASN HD21 H 1 7.555 0.000 . 2 . . . B 99 ASN HD21 . 25831 2 1194 . 2 2 99 99 ASN HD22 H 1 6.868 0.000 . 2 . . . B 99 ASN HD22 . 25831 2 1195 . 2 2 99 99 ASN C C 13 173.723 0.000 . 1 . . . B 99 ASN C . 25831 2 1196 . 2 2 99 99 ASN CA C 13 50.921 0.006 . 1 . . . B 99 ASN CA . 25831 2 1197 . 2 2 99 99 ASN CB C 13 39.004 0.022 . 1 . . . B 99 ASN CB . 25831 2 1198 . 2 2 99 99 ASN N N 15 123.993 0.011 . 1 . . . B 99 ASN N . 25831 2 1199 . 2 2 99 99 ASN ND2 N 15 112.533 0.001 . 1 . . . B 99 ASN ND2 . 25831 2 1200 . 2 2 100 100 PRO HA H 1 4.287 0.001 . 1 . . . B 100 PRO HA . 25831 2 1201 . 2 2 100 100 PRO HB2 H 1 1.519 0.053 . 2 . . . B 100 PRO HB2 . 25831 2 1202 . 2 2 100 100 PRO HB3 H 1 2.048 0.001 . 2 . . . B 100 PRO HB3 . 25831 2 1203 . 2 2 100 100 PRO HG2 H 1 1.769 0.002 . 2 . . . B 100 PRO HG2 . 25831 2 1204 . 2 2 100 100 PRO HG3 H 1 1.491 0.001 . 2 . . . B 100 PRO HG3 . 25831 2 1205 . 2 2 100 100 PRO HD2 H 1 3.574 0.001 . 2 . . . B 100 PRO HD2 . 25831 2 1206 . 2 2 100 100 PRO HD3 H 1 3.724 0.002 . 2 . . . B 100 PRO HD3 . 25831 2 1207 . 2 2 100 100 PRO C C 13 176.752 0.000 . 1 . . . B 100 PRO C . 25831 2 1208 . 2 2 100 100 PRO CA C 13 63.417 0.003 . 1 . . . B 100 PRO CA . 25831 2 1209 . 2 2 100 100 PRO CB C 13 32.012 0.005 . 1 . . . B 100 PRO CB . 25831 2 1210 . 2 2 100 100 PRO CG C 13 26.666 0.009 . 1 . . . B 100 PRO CG . 25831 2 1211 . 2 2 100 100 PRO CD C 13 50.756 0.016 . 1 . . . B 100 PRO CD . 25831 2 1212 . 2 2 101 101 TYR H H 1 8.006 0.001 . 1 . . . B 101 TYR H . 25831 2 1213 . 2 2 101 101 TYR HA H 1 4.420 0.002 . 1 . . . B 101 TYR HA . 25831 2 1214 . 2 2 101 101 TYR HB2 H 1 2.608 0.028 . 2 . . . B 101 TYR HB2 . 25831 2 1215 . 2 2 101 101 TYR HB3 H 1 2.852 0.023 . 2 . . . B 101 TYR HB3 . 25831 2 1216 . 2 2 101 101 TYR HD1 H 1 6.958 0.005 . 3 . . . B 101 TYR HD1 . 25831 2 1217 . 2 2 101 101 TYR HD2 H 1 6.958 0.005 . 3 . . . B 101 TYR HD2 . 25831 2 1218 . 2 2 101 101 TYR HE1 H 1 6.649 0.005 . 3 . . . B 101 TYR HE1 . 25831 2 1219 . 2 2 101 101 TYR HE2 H 1 6.649 0.005 . 3 . . . B 101 TYR HE2 . 25831 2 1220 . 2 2 101 101 TYR C C 13 176.021 0.000 . 1 . . . B 101 TYR C . 25831 2 1221 . 2 2 101 101 TYR CA C 13 58.118 0.007 . 1 . . . B 101 TYR CA . 25831 2 1222 . 2 2 101 101 TYR CB C 13 38.095 0.073 . 1 . . . B 101 TYR CB . 25831 2 1223 . 2 2 101 101 TYR CD2 C 13 133.289 0.014 . 3 . . . B 101 TYR CD2 . 25831 2 1224 . 2 2 101 101 TYR CE2 C 13 118.369 0.135 . 3 . . . B 101 TYR CE2 . 25831 2 1225 . 2 2 101 101 TYR N N 15 118.988 0.006 . 1 . . . B 101 TYR N . 25831 2 1226 . 2 2 102 102 THR H H 1 7.592 0.002 . 1 . . . B 102 THR H . 25831 2 1227 . 2 2 102 102 THR HA H 1 4.166 0.004 . 1 . . . B 102 THR HA . 25831 2 1228 . 2 2 102 102 THR HB H 1 4.146 0.003 . 1 . . . B 102 THR HB . 25831 2 1229 . 2 2 102 102 THR HG21 H 1 1.068 0.002 . 1 . . . B 102 THR MG . 25831 2 1230 . 2 2 102 102 THR HG22 H 1 1.068 0.002 . 1 . . . B 102 THR MG . 25831 2 1231 . 2 2 102 102 THR HG23 H 1 1.068 0.002 . 1 . . . B 102 THR MG . 25831 2 1232 . 2 2 102 102 THR C C 13 173.971 0.015 . 1 . . . B 102 THR C . 25831 2 1233 . 2 2 102 102 THR CA C 13 61.622 0.016 . 1 . . . B 102 THR CA . 25831 2 1234 . 2 2 102 102 THR CB C 13 69.957 0.043 . 1 . . . B 102 THR CB . 25831 2 1235 . 2 2 102 102 THR CG2 C 13 21.343 0.012 . 1 . . . B 102 THR CG2 . 25831 2 1236 . 2 2 102 102 THR N N 15 113.853 0.006 . 1 . . . B 102 THR N . 25831 2 1237 . 2 2 103 103 ASN H H 1 8.236 0.000 . 1 . . . B 103 ASN H . 25831 2 1238 . 2 2 103 103 ASN HA H 1 4.731 0.002 . 1 . . . B 103 ASN HA . 25831 2 1239 . 2 2 103 103 ASN HB2 H 1 2.688 0.001 . 2 . . . B 103 ASN HB2 . 25831 2 1240 . 2 2 103 103 ASN HB3 H 1 2.842 0.000 . 2 . . . B 103 ASN HB3 . 25831 2 1241 . 2 2 103 103 ASN HD21 H 1 7.595 0.000 . 2 . . . B 103 ASN HD21 . 25831 2 1242 . 2 2 103 103 ASN HD22 H 1 6.889 0.000 . 2 . . . B 103 ASN HD22 . 25831 2 1243 . 2 2 103 103 ASN C C 13 174.521 0.028 . 1 . . . B 103 ASN C . 25831 2 1244 . 2 2 103 103 ASN CA C 13 53.440 0.010 . 1 . . . B 103 ASN CA . 25831 2 1245 . 2 2 103 103 ASN CB C 13 39.304 0.012 . 1 . . . B 103 ASN CB . 25831 2 1246 . 2 2 103 103 ASN N N 15 120.968 0.004 . 1 . . . B 103 ASN N . 25831 2 1247 . 2 2 103 103 ASN ND2 N 15 113.040 0.001 . 1 . . . B 103 ASN ND2 . 25831 2 1248 . 2 2 104 104 GLY H H 1 7.932 0.001 . 1 . . . B 104 GLY H . 25831 2 1249 . 2 2 104 104 GLY HA2 H 1 3.735 0.002 . 2 . . . B 104 GLY HA2 . 25831 2 1250 . 2 2 104 104 GLY C C 13 178.961 0.000 . 1 . . . B 104 GLY C . 25831 2 1251 . 2 2 104 104 GLY CA C 13 46.250 0.008 . 1 . . . B 104 GLY CA . 25831 2 1252 . 2 2 104 104 GLY N N 15 115.435 0.007 . 1 . . . B 104 GLY N . 25831 2 stop_ save_