data_34422 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34422 _Entry.Title ; Solution structure of Staufen1 dsRBD4 - hARF1 SBS dsRNA complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-29 _Entry.Accession_date 2019-07-29 _Entry.Last_release_date 2020-01-07 _Entry.Original_release_date 2020-01-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34422 stop_ 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 D. Yadav D. K. . . 34422 2 P. Lukavsky P. J. . . 34422 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR structure of RNA-protein complex' . 34422 'RNA binding domain.' . 34422 'RNA binding protein' . 34422 'Staufen mediated mRNA decay' . 34422 'Staufen1 protein' . 34422 'dsRBD-dsRNA binding protein' . 34422 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34422 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 34422 '15N chemical shifts' 80 34422 '1H chemical shifts' 796 34422 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 . . 2021-09-13 2019-07-29 update BMRB 'update entry citation' 34422 1 . . 2020-01-13 2019-07-29 original author 'original release' 34422 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SDY . 34422 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34422 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31875226 _Citation.DOI 10.1093/nar/gkz1163 _Citation.Full_citation . _Citation.Title ; Staufen1 reads out structure and sequence features in ARF1 dsRNA for target recognition. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 4 _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 2091 _Citation.Page_last 2106 _Citation.Year 2020 _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 D. Yadav D. K. . . 34422 1 2 D. Zigackova D. . . . 34422 1 3 M. Zlobina M. . . . 34422 1 4 T. Klumpler T. . . . 34422 1 5 C. Beaumont C. . . . 34422 1 6 M. Kubickova M. . . . 34422 1 7 S. Vanacova S. . . . 34422 1 8 P. Lukavsky P. J. . . 34422 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34422 _Assembly.ID 1 _Assembly.Name 'Double-stranded RNA-binding protein Staufen homolog 1/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34422 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34422 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34422 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMNPISRLAQIQQAKKEK EPEYTLLTERGLPRRREFVM QVKVGNHTAEGTGTNKKVAK RNAAENMLEILGFK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8392.697 _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 1 201 GLY . 34422 1 2 202 SER . 34422 1 3 203 HIS . 34422 1 4 204 MET . 34422 1 5 205 ASN . 34422 1 6 206 PRO . 34422 1 7 207 ILE . 34422 1 8 208 SER . 34422 1 9 209 ARG . 34422 1 10 210 LEU . 34422 1 11 211 ALA . 34422 1 12 212 GLN . 34422 1 13 213 ILE . 34422 1 14 214 GLN . 34422 1 15 215 GLN . 34422 1 16 216 ALA . 34422 1 17 217 LYS . 34422 1 18 218 LYS . 34422 1 19 219 GLU . 34422 1 20 220 LYS . 34422 1 21 221 GLU . 34422 1 22 222 PRO . 34422 1 23 223 GLU . 34422 1 24 224 TYR . 34422 1 25 225 THR . 34422 1 26 226 LEU . 34422 1 27 227 LEU . 34422 1 28 228 THR . 34422 1 29 229 GLU . 34422 1 30 230 ARG . 34422 1 31 231 GLY . 34422 1 32 232 LEU . 34422 1 33 233 PRO . 34422 1 34 234 ARG . 34422 1 35 235 ARG . 34422 1 36 236 ARG . 34422 1 37 237 GLU . 34422 1 38 238 PHE . 34422 1 39 239 VAL . 34422 1 40 240 MET . 34422 1 41 241 GLN . 34422 1 42 242 VAL . 34422 1 43 243 LYS . 34422 1 44 244 VAL . 34422 1 45 245 GLY . 34422 1 46 246 ASN . 34422 1 47 247 HIS . 34422 1 48 248 THR . 34422 1 49 249 ALA . 34422 1 50 250 GLU . 34422 1 51 251 GLY . 34422 1 52 252 THR . 34422 1 53 253 GLY . 34422 1 54 254 THR . 34422 1 55 255 ASN . 34422 1 56 256 LYS . 34422 1 57 257 LYS . 34422 1 58 258 VAL . 34422 1 59 259 ALA . 34422 1 60 260 LYS . 34422 1 61 261 ARG . 34422 1 62 262 ASN . 34422 1 63 263 ALA . 34422 1 64 264 ALA . 34422 1 65 265 GLU . 34422 1 66 266 ASN . 34422 1 67 267 MET . 34422 1 68 268 LEU . 34422 1 69 269 GLU . 34422 1 70 270 ILE . 34422 1 71 271 LEU . 34422 1 72 272 GLY . 34422 1 73 273 PHE . 34422 1 74 274 LYS . 34422 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 . GLY 1 1 34422 1 . SER 2 2 34422 1 . HIS 3 3 34422 1 . MET 4 4 34422 1 . ASN 5 5 34422 1 . PRO 6 6 34422 1 . ILE 7 7 34422 1 . SER 8 8 34422 1 . ARG 9 9 34422 1 . LEU 10 10 34422 1 . ALA 11 11 34422 1 . GLN 12 12 34422 1 . ILE 13 13 34422 1 . GLN 14 14 34422 1 . GLN 15 15 34422 1 . ALA 16 16 34422 1 . LYS 17 17 34422 1 . LYS 18 18 34422 1 . GLU 19 19 34422 1 . LYS 20 20 34422 1 . GLU 21 21 34422 1 . PRO 22 22 34422 1 . GLU 23 23 34422 1 . TYR 24 24 34422 1 . THR 25 25 34422 1 . LEU 26 26 34422 1 . LEU 27 27 34422 1 . THR 28 28 34422 1 . GLU 29 29 34422 1 . ARG 30 30 34422 1 . GLY 31 31 34422 1 . LEU 32 32 34422 1 . PRO 33 33 34422 1 . ARG 34 34 34422 1 . ARG 35 35 34422 1 . ARG 36 36 34422 1 . GLU 37 37 34422 1 . PHE 38 38 34422 1 . VAL 39 39 34422 1 . MET 40 40 34422 1 . GLN 41 41 34422 1 . VAL 42 42 34422 1 . LYS 43 43 34422 1 . VAL 44 44 34422 1 . GLY 45 45 34422 1 . ASN 46 46 34422 1 . HIS 47 47 34422 1 . THR 48 48 34422 1 . ALA 49 49 34422 1 . GLU 50 50 34422 1 . GLY 51 51 34422 1 . THR 52 52 34422 1 . GLY 53 53 34422 1 . THR 54 54 34422 1 . ASN 55 55 34422 1 . LYS 56 56 34422 1 . LYS 57 57 34422 1 . VAL 58 58 34422 1 . ALA 59 59 34422 1 . LYS 60 60 34422 1 . ARG 61 61 34422 1 . ASN 62 62 34422 1 . ALA 63 63 34422 1 . ALA 64 64 34422 1 . GLU 65 65 34422 1 . ASN 66 66 34422 1 . MET 67 67 34422 1 . LEU 68 68 34422 1 . GLU 69 69 34422 1 . ILE 70 70 34422 1 . LEU 71 71 34422 1 . GLY 72 72 34422 1 . PHE 73 73 34422 1 . LYS 74 74 34422 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34422 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCAGAAGCUGCCUCUUCGG AGGCAGUUUCUGCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10899.479 _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 . G . 34422 2 2 . G . 34422 2 3 . C . 34422 2 4 . A . 34422 2 5 . G . 34422 2 6 . A . 34422 2 7 . A . 34422 2 8 . G . 34422 2 9 . C . 34422 2 10 . U . 34422 2 11 . G . 34422 2 12 . C . 34422 2 13 . C . 34422 2 14 . U . 34422 2 15 . C . 34422 2 16 . U . 34422 2 17 . U . 34422 2 18 . C . 34422 2 19 . G . 34422 2 20 . G . 34422 2 21 . A . 34422 2 22 . G . 34422 2 23 . G . 34422 2 24 . C . 34422 2 25 . A . 34422 2 26 . G . 34422 2 27 . U . 34422 2 28 . U . 34422 2 29 . U . 34422 2 30 . C . 34422 2 31 . U . 34422 2 32 . G . 34422 2 33 . C . 34422 2 34 . C . 34422 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 . G 1 1 34422 2 . G 2 2 34422 2 . C 3 3 34422 2 . A 4 4 34422 2 . G 5 5 34422 2 . A 6 6 34422 2 . A 7 7 34422 2 . G 8 8 34422 2 . C 9 9 34422 2 . U 10 10 34422 2 . G 11 11 34422 2 . C 12 12 34422 2 . C 13 13 34422 2 . U 14 14 34422 2 . C 15 15 34422 2 . U 16 16 34422 2 . U 17 17 34422 2 . C 18 18 34422 2 . G 19 19 34422 2 . G 20 20 34422 2 . A 21 21 34422 2 . G 22 22 34422 2 . G 23 23 34422 2 . C 24 24 34422 2 . A 25 25 34422 2 . G 26 26 34422 2 . U 27 27 34422 2 . U 28 28 34422 2 . U 29 29 34422 2 . C 30 30 34422 2 . U 31 31 34422 2 . G 32 32 34422 2 . C 33 33 34422 2 . C 34 34 34422 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 34422 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'STAU1, STAU' . 34422 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34422 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 34422 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34422 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli DH5[alpha]' . . 668369 . . . . . . . . . . . . 34422 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34422 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '310 uM [U-15N] Staufen1 dsRBD4, 310 uM Unlabelled hARF1, 90-95% H20/5-10% D20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90-95% H20/5-10% D20' _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 'Staufen1 dsRBD4' [U-15N] . . 1 $entity_1 . . 310 . . uM . . . . 34422 1 2 hARF1 Unlabelled . . 2 $entity_2 . . 310 . . uM . . . . 34422 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34422 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '405 uM [U-13C; U-15N] Staufen1 dsRBD4, 405 uM Unlabelled hARF1, 90-95% H20/5-10% D20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90-95% H20/5-10% D20' _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 'Staufen1 dsRBD4' '[U-13C; U-15N]' . . 1 $entity_1 . . 405 . . uM . . . . 34422 2 2 hARF1 Unlabelled . . 2 $entity_2 . . 405 . . uM . . . . 34422 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34422 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '310 uM Unlabelled hARF1, 90-95% H20/5-10% D20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90-95% H20/5-10% D20' _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 hARF1 Unlabelled . . 2 $entity_2 . . 310 . . uM . . . . 34422 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34422 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '478 uM [U-13C] hARF1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hARF1 [U-13C] . . 2 $entity_2 . . 478 . . uM . . . . 34422 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34422 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '354 uM [U-15N] Staufen1 dsRBD4, 354 uM [U-13C] hARF1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Staufen1 dsRBD4' [U-15N] . . 1 $entity_1 . . 354 . . uM . . . . 34422 5 2 hARF1 [U-13C] . . 2 $entity_2 . . 354 . . uM . . . . 34422 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 34422 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '451 uM [U-13C; U-15N] Staufen1 dsRBD4, 451 uM Unlabelled hARF1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Staufen1 dsRBD4' '[U-13C; U-15N]' . . 1 $entity_1 . . 451 . . uM . . . . 34422 6 2 hARF1 Unlabelled . . 2 $entity_2 . . 451 . . uM . . . . 34422 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 34422 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '310 uM Unlabelled hARF1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hARF1 Unlabelled . . 2 $entity_2 . . 310 . . uM . . . . 34422 7 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 34422 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34422 1 pH 6.5 . pH 34422 1 pressure 1 . atm 34422 1 temperature 308 . K 34422 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34422 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version AMBER14 _Software.DOI . _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' . . 34422 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34422 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34422 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version cyana-3.98.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34422 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34422 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34422 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version cara_1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, Damberger and Wuthrich' . . 34422 3 'Keller, Damberger, Wuthrich' . . 34422 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34422 3 'peak picking' . 34422 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34422 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version SPARKY3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard and Kneller' . . 34422 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34422 4 'peak picking' . 34422 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34422 _Software.ID 5 _Software.Type . _Software.Name ATNOS-CANDID _Software.Version 'UNIO 2.0.3' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Guntert' . . 34422 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34422 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34422 _Software.ID 6 _Software.Type . _Software.Name TopSpin _Software.Version TOPSPIN3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34422 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34422 6 processing . 34422 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34422 _Software.ID 7 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34422 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34422 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 34422 _Software.ID 8 _Software.Type . _Software.Name 'PROCHECK / PROCHECK-NMR' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 34422 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34422 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34422 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34422 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34422 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34422 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34422 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 850 . . . 34422 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 950 . . . 34422 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 34422 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34422 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 6 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 7 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 9 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 11 '3D HcccoNH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 12 '3D CccoNH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34422 1 16 '2D 1H-1H, 13C 2F-filtered NOESY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 17 '3D 13C 1F-filtered 2F-edited HSQC-NOESY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 18 '3D 1H-13C NOESY ribose' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 19 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 20 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 21 '2D 1H-13C HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 22 '3D HCCH-TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 23 '3D 1H-13C NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 24 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 25 '2D 1H-1H, 13C 1F-filtered 2F-filtered NOESY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 26 '2D 1H-13C HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 27 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 28 '2D 1H-1H NOESY' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 29 '3D HCCH-COSY aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 30 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34422 1 31 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 32 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 33 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 34 '2D 1H-13C HSQC ribose' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 35 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34422 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34422 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 carbons' . . . . ppm 0.000 na indirect 0.25144953 . . . . . 34422 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 na indirect 1.0 . . . . . 34422 1 N 15 DSS nitrogen . . . . ppm 0.000 na indirect 0.10132912 . . . . . 34422 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34422 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34422 1 2 '2D 1H-15N HSQC' . . . 34422 1 3 '2D 1H-15N HSQC' . . . 34422 1 4 '2D 1H-13C HSQC aliphatic' . . . 34422 1 5 '2D 1H-13C HSQC aliphatic' . . . 34422 1 6 '3D HNCA' . . . 34422 1 7 '3D HNCO' . . . 34422 1 8 '3D CBCA(CO)NH' . . . 34422 1 9 '3D HNCACB' . . . 34422 1 10 '3D HBHA(CO)NH' . . . 34422 1 11 '3D HcccoNH-TOCSY' . . . 34422 1 12 '3D CccoNH-TOCSY' . . . 34422 1 13 '3D 1H-13C NOESY aliphatic' . . . 34422 1 14 '3D 1H-13C NOESY aromatic' . . . 34422 1 15 '3D 1H-15N NOESY' . . . 34422 1 16 '2D 1H-1H, 13C 2F-filtered NOESY' . . . 34422 1 17 '3D 13C 1F-filtered 2F-edited HSQC-NOESY' . . . 34422 1 18 '3D 1H-13C NOESY ribose' . . . 34422 1 19 '2D 1H-1H TOCSY' . . . 34422 1 20 '2D 1H-1H NOESY' . . . 34422 1 21 '2D 1H-13C HSQC' . . . 34422 1 22 '3D HCCH-TOCSY' . . . 34422 1 23 '3D 1H-13C NOESY' . . . 34422 1 24 '2D 1H-13C HSQC aliphatic' . . . 34422 1 25 '2D 1H-1H, 13C 1F-filtered 2F-filtered NOESY' . . . 34422 1 26 '2D 1H-13C HSQC' . . . 34422 1 27 '2D 1H-1H TOCSY' . . . 34422 1 28 '2D 1H-1H NOESY' . . . 34422 1 29 '3D HCCH-COSY aromatic' . . . 34422 1 30 '2D 1H-13C HSQC aromatic' . . . 34422 1 31 '2D 1H-13C HSQC aromatic' . . . 34422 1 32 '2D 1H-13C HSQC aliphatic' . . . 34422 1 33 '2D 1H-13C HSQC aromatic' . . . 34422 1 34 '2D 1H-13C HSQC ribose' . . . 34422 1 35 '2D 1H-13C HSQC aromatic' . . . 34422 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.369 0.000 . . . . . . A 201 GLY H . 34422 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.845 0.000 . . . . . . A 201 GLY HA2 . 34422 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.845 0.000 . . . . . . A 201 GLY HA3 . 34422 1 4 . 1 . 1 1 1 GLY C C 13 172.780 0.000 . . . . . . A 201 GLY C . 34422 1 5 . 1 . 1 1 1 GLY CA C 13 45.337 0.000 . . . . . . A 201 GLY CA . 34422 1 6 . 1 . 1 1 1 GLY N N 15 108.229 0.000 . . . . . . A 201 GLY N . 34422 1 7 . 1 . 1 2 2 SER H H 1 8.588 0.000 . . . . . . A 202 SER H . 34422 1 8 . 1 . 1 2 2 SER HA H 1 4.590 0.000 . . . . . . A 202 SER HA . 34422 1 9 . 1 . 1 2 2 SER CA C 13 63.268 0.000 . . . . . . A 202 SER CA . 34422 1 10 . 1 . 1 2 2 SER CB C 13 68.731 0.000 . . . . . . A 202 SER CB . 34422 1 11 . 1 . 1 2 2 SER N N 15 110.576 0.000 . . . . . . A 202 SER N . 34422 1 12 . 1 . 1 3 3 HIS HA H 1 4.672 0.000 . . . . . . A 203 HIS HA . 34422 1 13 . 1 . 1 3 3 HIS HB2 H 1 3.197 0.000 . . . . . . A 203 HIS HB2 . 34422 1 14 . 1 . 1 3 3 HIS HB3 H 1 3.128 0.000 . . . . . . A 203 HIS HB3 . 34422 1 15 . 1 . 1 3 3 HIS HD2 H 1 7.156 0.000 . . . . . . A 203 HIS HD2 . 34422 1 16 . 1 . 1 3 3 HIS HE1 H 1 8.151 0.000 . . . . . . A 203 HIS HE1 . 34422 1 17 . 1 . 1 3 3 HIS C C 13 174.906 0.000 . . . . . . A 203 HIS C . 34422 1 18 . 1 . 1 3 3 HIS CA C 13 56.124 0.000 . . . . . . A 203 HIS CA . 34422 1 19 . 1 . 1 3 3 HIS CB C 13 30.272 0.000 . . . . . . A 203 HIS CB . 34422 1 20 . 1 . 1 3 3 HIS CD2 C 13 119.881 0.000 . . . . . . A 203 HIS CD2 . 34422 1 21 . 1 . 1 3 3 HIS CE1 C 13 137.861 0.000 . . . . . . A 203 HIS CE1 . 34422 1 22 . 1 . 1 4 4 MET H H 1 8.360 0.000 . . . . . . A 204 MET H . 34422 1 23 . 1 . 1 4 4 MET HA H 1 4.447 0.000 . . . . . . A 204 MET HA . 34422 1 24 . 1 . 1 4 4 MET HB2 H 1 1.971 0.000 . . . . . . A 204 MET HB2 . 34422 1 25 . 1 . 1 4 4 MET HB3 H 1 1.971 0.000 . . . . . . A 204 MET HB3 . 34422 1 26 . 1 . 1 4 4 MET HG2 H 1 2.528 0.000 . . . . . . A 204 MET HG2 . 34422 1 27 . 1 . 1 4 4 MET HG3 H 1 2.528 0.000 . . . . . . A 204 MET HG3 . 34422 1 28 . 1 . 1 4 4 MET HE1 H 1 2.075 0.000 . . . . . . A 204 MET HE1 . 34422 1 29 . 1 . 1 4 4 MET HE2 H 1 2.075 0.000 . . . . . . A 204 MET HE2 . 34422 1 30 . 1 . 1 4 4 MET HE3 H 1 2.075 0.000 . . . . . . A 204 MET HE3 . 34422 1 31 . 1 . 1 4 4 MET C C 13 175.346 0.000 . . . . . . A 204 MET C . 34422 1 32 . 1 . 1 4 4 MET CA C 13 55.387 0.000 . . . . . . A 204 MET CA . 34422 1 33 . 1 . 1 4 4 MET CB C 13 33.605 0.000 . . . . . . A 204 MET CB . 34422 1 34 . 1 . 1 4 4 MET CG C 13 31.811 0.000 . . . . . . A 204 MET CG . 34422 1 35 . 1 . 1 4 4 MET CE C 13 16.833 0.000 . . . . . . A 204 MET CE . 34422 1 36 . 1 . 1 4 4 MET N N 15 122.023 0.000 . . . . . . A 204 MET N . 34422 1 37 . 1 . 1 5 5 ASN H H 1 8.717 0.000 . . . . . . A 205 ASN H . 34422 1 38 . 1 . 1 5 5 ASN HA H 1 4.870 0.000 . . . . . . A 205 ASN HA . 34422 1 39 . 1 . 1 5 5 ASN HB2 H 1 2.950 0.000 . . . . . . A 205 ASN HB2 . 34422 1 40 . 1 . 1 5 5 ASN HB3 H 1 2.950 0.000 . . . . . . A 205 ASN HB3 . 34422 1 41 . 1 . 1 5 5 ASN HD21 H 1 6.990 0.000 . . . . . . A 205 ASN HD21 . 34422 1 42 . 1 . 1 5 5 ASN HD22 H 1 7.829 0.000 . . . . . . A 205 ASN HD22 . 34422 1 43 . 1 . 1 5 5 ASN CA C 13 51.882 0.000 . . . . . . A 205 ASN CA . 34422 1 44 . 1 . 1 5 5 ASN CB C 13 39.325 0.000 . . . . . . A 205 ASN CB . 34422 1 45 . 1 . 1 5 5 ASN N N 15 123.864 0.000 . . . . . . A 205 ASN N . 34422 1 46 . 1 . 1 5 5 ASN ND2 N 15 114.761 0.000 . . . . . . A 205 ASN ND2 . 34422 1 47 . 1 . 1 6 6 PRO HA H 1 4.248 0.000 . . . . . . A 206 PRO HA . 34422 1 48 . 1 . 1 6 6 PRO HB2 H 1 2.322 0.000 . . . . . . A 206 PRO HB2 . 34422 1 49 . 1 . 1 6 6 PRO HB3 H 1 1.911 0.000 . . . . . . A 206 PRO HB3 . 34422 1 50 . 1 . 1 6 6 PRO HG2 H 1 1.884 0.000 . . . . . . A 206 PRO HG2 . 34422 1 51 . 1 . 1 6 6 PRO HG3 H 1 1.693 0.000 . . . . . . A 206 PRO HG3 . 34422 1 52 . 1 . 1 6 6 PRO HD2 H 1 3.951 0.000 . . . . . . A 206 PRO HD2 . 34422 1 53 . 1 . 1 6 6 PRO HD3 H 1 3.800 0.000 . . . . . . A 206 PRO HD3 . 34422 1 54 . 1 . 1 6 6 PRO C C 13 177.596 0.000 . . . . . . A 206 PRO C . 34422 1 55 . 1 . 1 6 6 PRO CA C 13 65.381 0.000 . . . . . . A 206 PRO CA . 34422 1 56 . 1 . 1 6 6 PRO CB C 13 32.383 0.000 . . . . . . A 206 PRO CB . 34422 1 57 . 1 . 1 6 6 PRO CG C 13 28.020 0.000 . . . . . . A 206 PRO CG . 34422 1 58 . 1 . 1 6 6 PRO CD C 13 50.727 0.000 . . . . . . A 206 PRO CD . 34422 1 59 . 1 . 1 7 7 ILE H H 1 8.167 0.000 . . . . . . A 207 ILE H . 34422 1 60 . 1 . 1 7 7 ILE HA H 1 3.577 0.000 . . . . . . A 207 ILE HA . 34422 1 61 . 1 . 1 7 7 ILE HB H 1 1.762 0.000 . . . . . . A 207 ILE HB . 34422 1 62 . 1 . 1 7 7 ILE HG12 H 1 0.920 0.000 . . . . . . A 207 ILE HG12 . 34422 1 63 . 1 . 1 7 7 ILE HG13 H 1 0.920 0.000 . . . . . . A 207 ILE HG13 . 34422 1 64 . 1 . 1 7 7 ILE HG21 H 1 1.020 0.000 . . . . . . A 207 ILE HG21 . 34422 1 65 . 1 . 1 7 7 ILE HG22 H 1 1.020 0.000 . . . . . . A 207 ILE HG22 . 34422 1 66 . 1 . 1 7 7 ILE HG23 H 1 1.020 0.000 . . . . . . A 207 ILE HG23 . 34422 1 67 . 1 . 1 7 7 ILE HD11 H 1 0.844 0.000 . . . . . . A 207 ILE HD11 . 34422 1 68 . 1 . 1 7 7 ILE HD12 H 1 0.844 0.000 . . . . . . A 207 ILE HD12 . 34422 1 69 . 1 . 1 7 7 ILE HD13 H 1 0.844 0.000 . . . . . . A 207 ILE HD13 . 34422 1 70 . 1 . 1 7 7 ILE C C 13 179.799 0.000 . . . . . . A 207 ILE C . 34422 1 71 . 1 . 1 7 7 ILE CA C 13 65.240 0.000 . . . . . . A 207 ILE CA . 34422 1 72 . 1 . 1 7 7 ILE CB C 13 38.875 0.000 . . . . . . A 207 ILE CB . 34422 1 73 . 1 . 1 7 7 ILE CG1 C 13 29.948 0.000 . . . . . . A 207 ILE CG1 . 34422 1 74 . 1 . 1 7 7 ILE CG2 C 13 17.338 0.000 . . . . . . A 207 ILE CG2 . 34422 1 75 . 1 . 1 7 7 ILE CD1 C 13 14.890 0.000 . . . . . . A 207 ILE CD1 . 34422 1 76 . 1 . 1 7 7 ILE N N 15 118.567 0.000 . . . . . . A 207 ILE N . 34422 1 77 . 1 . 1 8 8 SER H H 1 7.485 0.000 . . . . . . A 208 SER H . 34422 1 78 . 1 . 1 8 8 SER HA H 1 4.339 0.000 . . . . . . A 208 SER HA . 34422 1 79 . 1 . 1 8 8 SER HB2 H 1 4.019 0.000 . . . . . . A 208 SER HB2 . 34422 1 80 . 1 . 1 8 8 SER HB3 H 1 3.983 0.000 . . . . . . A 208 SER HB3 . 34422 1 81 . 1 . 1 8 8 SER C C 13 176.493 0.000 . . . . . . A 208 SER C . 34422 1 82 . 1 . 1 8 8 SER CA C 13 60.992 0.000 . . . . . . A 208 SER CA . 34422 1 83 . 1 . 1 8 8 SER CB C 13 62.390 0.000 . . . . . . A 208 SER CB . 34422 1 84 . 1 . 1 8 8 SER N N 15 116.671 0.000 . . . . . . A 208 SER N . 34422 1 85 . 1 . 1 9 9 ARG H H 1 8.380 0.000 . . . . . . A 209 ARG H . 34422 1 86 . 1 . 1 9 9 ARG HA H 1 4.005 0.000 . . . . . . A 209 ARG HA . 34422 1 87 . 1 . 1 9 9 ARG HB2 H 1 1.859 0.000 . . . . . . A 209 ARG HB2 . 34422 1 88 . 1 . 1 9 9 ARG HB3 H 1 1.781 0.000 . . . . . . A 209 ARG HB3 . 34422 1 89 . 1 . 1 9 9 ARG HG2 H 1 1.595 0.000 . . . . . . A 209 ARG HG2 . 34422 1 90 . 1 . 1 9 9 ARG HG3 H 1 1.595 0.000 . . . . . . A 209 ARG HG3 . 34422 1 91 . 1 . 1 9 9 ARG HD2 H 1 3.250 0.000 . . . . . . A 209 ARG HD2 . 34422 1 92 . 1 . 1 9 9 ARG HD3 H 1 3.123 0.000 . . . . . . A 209 ARG HD3 . 34422 1 93 . 1 . 1 9 9 ARG C C 13 177.806 0.000 . . . . . . A 209 ARG C . 34422 1 94 . 1 . 1 9 9 ARG CA C 13 59.195 0.000 . . . . . . A 209 ARG CA . 34422 1 95 . 1 . 1 9 9 ARG CB C 13 30.292 0.000 . . . . . . A 209 ARG CB . 34422 1 96 . 1 . 1 9 9 ARG CG C 13 27.101 0.000 . . . . . . A 209 ARG CG . 34422 1 97 . 1 . 1 9 9 ARG CD C 13 43.283 0.000 . . . . . . A 209 ARG CD . 34422 1 98 . 1 . 1 9 9 ARG N N 15 122.279 0.000 . . . . . . A 209 ARG N . 34422 1 99 . 1 . 1 10 10 LEU H H 1 8.278 0.000 . . . . . . A 210 LEU H . 34422 1 100 . 1 . 1 10 10 LEU HA H 1 4.036 0.000 . . . . . . A 210 LEU HA . 34422 1 101 . 1 . 1 10 10 LEU HB2 H 1 2.007 0.000 . . . . . . A 210 LEU HB2 . 34422 1 102 . 1 . 1 10 10 LEU HB3 H 1 1.489 0.000 . . . . . . A 210 LEU HB3 . 34422 1 103 . 1 . 1 10 10 LEU HG H 1 1.592 0.000 . . . . . . A 210 LEU HG . 34422 1 104 . 1 . 1 10 10 LEU HD11 H 1 0.893 0.000 . . . . . . A 210 LEU HD11 . 34422 1 105 . 1 . 1 10 10 LEU HD12 H 1 0.893 0.000 . . . . . . A 210 LEU HD12 . 34422 1 106 . 1 . 1 10 10 LEU HD13 H 1 0.893 0.000 . . . . . . A 210 LEU HD13 . 34422 1 107 . 1 . 1 10 10 LEU HD21 H 1 0.855 0.000 . . . . . . A 210 LEU HD21 . 34422 1 108 . 1 . 1 10 10 LEU HD22 H 1 0.855 0.000 . . . . . . A 210 LEU HD22 . 34422 1 109 . 1 . 1 10 10 LEU HD23 H 1 0.855 0.000 . . . . . . A 210 LEU HD23 . 34422 1 110 . 1 . 1 10 10 LEU C C 13 177.760 0.000 . . . . . . A 210 LEU C . 34422 1 111 . 1 . 1 10 10 LEU CA C 13 57.846 0.000 . . . . . . A 210 LEU CA . 34422 1 112 . 1 . 1 10 10 LEU CB C 13 41.467 0.000 . . . . . . A 210 LEU CB . 34422 1 113 . 1 . 1 10 10 LEU CG C 13 27.093 0.000 . . . . . . A 210 LEU CG . 34422 1 114 . 1 . 1 10 10 LEU CD1 C 13 26.019 0.000 . . . . . . A 210 LEU CD1 . 34422 1 115 . 1 . 1 10 10 LEU CD2 C 13 23.144 0.000 . . . . . . A 210 LEU CD2 . 34422 1 116 . 1 . 1 10 10 LEU N N 15 118.991 0.000 . . . . . . A 210 LEU N . 34422 1 117 . 1 . 1 11 11 ALA H H 1 7.750 0.000 . . . . . . A 211 ALA H . 34422 1 118 . 1 . 1 11 11 ALA HA H 1 3.936 0.000 . . . . . . A 211 ALA HA . 34422 1 119 . 1 . 1 11 11 ALA HB1 H 1 1.640 0.000 . . . . . . A 211 ALA HB1 . 34422 1 120 . 1 . 1 11 11 ALA HB2 H 1 1.640 0.000 . . . . . . A 211 ALA HB2 . 34422 1 121 . 1 . 1 11 11 ALA HB3 H 1 1.640 0.000 . . . . . . A 211 ALA HB3 . 34422 1 122 . 1 . 1 11 11 ALA C C 13 180.604 0.000 . . . . . . A 211 ALA C . 34422 1 123 . 1 . 1 11 11 ALA CA C 13 55.472 0.000 . . . . . . A 211 ALA CA . 34422 1 124 . 1 . 1 11 11 ALA CB C 13 17.898 0.000 . . . . . . A 211 ALA CB . 34422 1 125 . 1 . 1 11 11 ALA N N 15 119.486 0.000 . . . . . . A 211 ALA N . 34422 1 126 . 1 . 1 12 12 GLN H H 1 8.205 0.000 . . . . . . A 212 GLN H . 34422 1 127 . 1 . 1 12 12 GLN HA H 1 4.204 0.000 . . . . . . A 212 GLN HA . 34422 1 128 . 1 . 1 12 12 GLN HB2 H 1 2.299 0.000 . . . . . . A 212 GLN HB2 . 34422 1 129 . 1 . 1 12 12 GLN HB3 H 1 2.217 0.000 . . . . . . A 212 GLN HB3 . 34422 1 130 . 1 . 1 12 12 GLN HG2 H 1 2.702 0.000 . . . . . . A 212 GLN HG2 . 34422 1 131 . 1 . 1 12 12 GLN HG3 H 1 2.424 0.000 . . . . . . A 212 GLN HG3 . 34422 1 132 . 1 . 1 12 12 GLN HE21 H 1 6.754 0.000 . . . . . . A 212 GLN HE21 . 34422 1 133 . 1 . 1 12 12 GLN HE22 H 1 7.330 0.000 . . . . . . A 212 GLN HE22 . 34422 1 134 . 1 . 1 12 12 GLN C C 13 179.018 0.000 . . . . . . A 212 GLN C . 34422 1 135 . 1 . 1 12 12 GLN CA C 13 59.062 0.000 . . . . . . A 212 GLN CA . 34422 1 136 . 1 . 1 12 12 GLN CB C 13 28.130 0.000 . . . . . . A 212 GLN CB . 34422 1 137 . 1 . 1 12 12 GLN CG C 13 34.193 0.000 . . . . . . A 212 GLN CG . 34422 1 138 . 1 . 1 12 12 GLN N N 15 118.531 0.000 . . . . . . A 212 GLN N . 34422 1 139 . 1 . 1 12 12 GLN NE2 N 15 110.496 0.000 . . . . . . A 212 GLN NE2 . 34422 1 140 . 1 . 1 13 13 ILE H H 1 8.144 0.000 . . . . . . A 213 ILE H . 34422 1 141 . 1 . 1 13 13 ILE HA H 1 3.625 0.000 . . . . . . A 213 ILE HA . 34422 1 142 . 1 . 1 13 13 ILE HB H 1 1.857 0.000 . . . . . . A 213 ILE HB . 34422 1 143 . 1 . 1 13 13 ILE HG12 H 1 0.734 0.000 . . . . . . A 213 ILE HG12 . 34422 1 144 . 1 . 1 13 13 ILE HG13 H 1 0.734 0.000 . . . . . . A 213 ILE HG13 . 34422 1 145 . 1 . 1 13 13 ILE HG21 H 1 0.701 0.000 . . . . . . A 213 ILE HG21 . 34422 1 146 . 1 . 1 13 13 ILE HG22 H 1 0.701 0.000 . . . . . . A 213 ILE HG22 . 34422 1 147 . 1 . 1 13 13 ILE HG23 H 1 0.701 0.000 . . . . . . A 213 ILE HG23 . 34422 1 148 . 1 . 1 13 13 ILE HD11 H 1 0.201 0.000 . . . . . . A 213 ILE HD11 . 34422 1 149 . 1 . 1 13 13 ILE HD12 H 1 0.201 0.000 . . . . . . A 213 ILE HD12 . 34422 1 150 . 1 . 1 13 13 ILE HD13 H 1 0.201 0.000 . . . . . . A 213 ILE HD13 . 34422 1 151 . 1 . 1 13 13 ILE C C 13 178.399 0.000 . . . . . . A 213 ILE C . 34422 1 152 . 1 . 1 13 13 ILE CA C 13 65.172 0.000 . . . . . . A 213 ILE CA . 34422 1 153 . 1 . 1 13 13 ILE CB C 13 38.336 0.000 . . . . . . A 213 ILE CB . 34422 1 154 . 1 . 1 13 13 ILE CG1 C 13 29.458 0.000 . . . . . . A 213 ILE CG1 . 34422 1 155 . 1 . 1 13 13 ILE CG2 C 13 16.453 0.000 . . . . . . A 213 ILE CG2 . 34422 1 156 . 1 . 1 13 13 ILE CD1 C 13 14.017 0.000 . . . . . . A 213 ILE CD1 . 34422 1 157 . 1 . 1 13 13 ILE N N 15 122.348 0.000 . . . . . . A 213 ILE N . 34422 1 158 . 1 . 1 14 14 GLN H H 1 7.534 0.000 . . . . . . A 214 GLN H . 34422 1 159 . 1 . 1 14 14 GLN HA H 1 3.891 0.000 . . . . . . A 214 GLN HA . 34422 1 160 . 1 . 1 14 14 GLN HB2 H 1 2.190 0.000 . . . . . . A 214 GLN HB2 . 34422 1 161 . 1 . 1 14 14 GLN HB3 H 1 1.989 0.000 . . . . . . A 214 GLN HB3 . 34422 1 162 . 1 . 1 14 14 GLN HG2 H 1 2.317 0.000 . . . . . . A 214 GLN HG2 . 34422 1 163 . 1 . 1 14 14 GLN HG3 H 1 2.317 0.000 . . . . . . A 214 GLN HG3 . 34422 1 164 . 1 . 1 14 14 GLN HE21 H 1 6.883 0.000 . . . . . . A 214 GLN HE21 . 34422 1 165 . 1 . 1 14 14 GLN HE22 H 1 7.494 0.000 . . . . . . A 214 GLN HE22 . 34422 1 166 . 1 . 1 14 14 GLN C C 13 178.350 0.000 . . . . . . A 214 GLN C . 34422 1 167 . 1 . 1 14 14 GLN CA C 13 58.166 0.000 . . . . . . A 214 GLN CA . 34422 1 168 . 1 . 1 14 14 GLN CB C 13 29.723 0.000 . . . . . . A 214 GLN CB . 34422 1 169 . 1 . 1 14 14 GLN CG C 13 35.401 0.000 . . . . . . A 214 GLN CG . 34422 1 170 . 1 . 1 14 14 GLN N N 15 116.394 0.000 . . . . . . A 214 GLN N . 34422 1 171 . 1 . 1 14 14 GLN NE2 N 15 108.695 0.000 . . . . . . A 214 GLN NE2 . 34422 1 172 . 1 . 1 15 15 GLN H H 1 8.115 0.000 . . . . . . A 215 GLN H . 34422 1 173 . 1 . 1 15 15 GLN HA H 1 4.249 0.000 . . . . . . A 215 GLN HA . 34422 1 174 . 1 . 1 15 15 GLN HB2 H 1 2.329 0.000 . . . . . . A 215 GLN HB2 . 34422 1 175 . 1 . 1 15 15 GLN HB3 H 1 2.096 0.000 . . . . . . A 215 GLN HB3 . 34422 1 176 . 1 . 1 15 15 GLN HG2 H 1 2.674 0.000 . . . . . . A 215 GLN HG2 . 34422 1 177 . 1 . 1 15 15 GLN HG3 H 1 2.508 0.000 . . . . . . A 215 GLN HG3 . 34422 1 178 . 1 . 1 15 15 GLN HE21 H 1 6.972 0.000 . . . . . . A 215 GLN HE21 . 34422 1 179 . 1 . 1 15 15 GLN HE22 H 1 7.778 0.000 . . . . . . A 215 GLN HE22 . 34422 1 180 . 1 . 1 15 15 GLN C C 13 180.510 0.000 . . . . . . A 215 GLN C . 34422 1 181 . 1 . 1 15 15 GLN CA C 13 58.928 0.000 . . . . . . A 215 GLN CA . 34422 1 182 . 1 . 1 15 15 GLN CB C 13 28.910 0.000 . . . . . . A 215 GLN CB . 34422 1 183 . 1 . 1 15 15 GLN CG C 13 34.307 0.000 . . . . . . A 215 GLN CG . 34422 1 184 . 1 . 1 15 15 GLN N N 15 118.245 0.000 . . . . . . A 215 GLN N . 34422 1 185 . 1 . 1 15 15 GLN NE2 N 15 112.103 0.000 . . . . . . A 215 GLN NE2 . 34422 1 186 . 1 . 1 16 16 ALA H H 1 8.385 0.000 . . . . . . A 216 ALA H . 34422 1 187 . 1 . 1 16 16 ALA HA H 1 4.174 0.000 . . . . . . A 216 ALA HA . 34422 1 188 . 1 . 1 16 16 ALA HB1 H 1 1.556 0.000 . . . . . . A 216 ALA HB1 . 34422 1 189 . 1 . 1 16 16 ALA HB2 H 1 1.556 0.000 . . . . . . A 216 ALA HB2 . 34422 1 190 . 1 . 1 16 16 ALA HB3 H 1 1.556 0.000 . . . . . . A 216 ALA HB3 . 34422 1 191 . 1 . 1 16 16 ALA C C 13 179.452 0.000 . . . . . . A 216 ALA C . 34422 1 192 . 1 . 1 16 16 ALA CA C 13 54.832 0.000 . . . . . . A 216 ALA CA . 34422 1 193 . 1 . 1 16 16 ALA CB C 13 18.052 0.000 . . . . . . A 216 ALA CB . 34422 1 194 . 1 . 1 16 16 ALA N N 15 123.232 0.000 . . . . . . A 216 ALA N . 34422 1 195 . 1 . 1 17 17 LYS H H 1 7.417 0.000 . . . . . . A 217 LYS H . 34422 1 196 . 1 . 1 17 17 LYS HA H 1 4.243 0.000 . . . . . . A 217 LYS HA . 34422 1 197 . 1 . 1 17 17 LYS HB2 H 1 1.985 0.000 . . . . . . A 217 LYS HB2 . 34422 1 198 . 1 . 1 17 17 LYS HB3 H 1 1.698 0.000 . . . . . . A 217 LYS HB3 . 34422 1 199 . 1 . 1 17 17 LYS HG2 H 1 1.656 0.000 . . . . . . A 217 LYS HG2 . 34422 1 200 . 1 . 1 17 17 LYS HG3 H 1 1.511 0.000 . . . . . . A 217 LYS HG3 . 34422 1 201 . 1 . 1 17 17 LYS HD2 H 1 1.653 0.000 . . . . . . A 217 LYS HD2 . 34422 1 202 . 1 . 1 17 17 LYS HD3 H 1 1.653 0.000 . . . . . . A 217 LYS HD3 . 34422 1 203 . 1 . 1 17 17 LYS HE2 H 1 2.922 0.000 . . . . . . A 217 LYS HE2 . 34422 1 204 . 1 . 1 17 17 LYS HE3 H 1 2.922 0.000 . . . . . . A 217 LYS HE3 . 34422 1 205 . 1 . 1 17 17 LYS C C 13 175.221 0.000 . . . . . . A 217 LYS C . 34422 1 206 . 1 . 1 17 17 LYS CA C 13 56.452 0.000 . . . . . . A 217 LYS CA . 34422 1 207 . 1 . 1 17 17 LYS CB C 13 33.072 0.000 . . . . . . A 217 LYS CB . 34422 1 208 . 1 . 1 17 17 LYS CG C 13 25.088 0.000 . . . . . . A 217 LYS CG . 34422 1 209 . 1 . 1 17 17 LYS CD C 13 29.434 0.000 . . . . . . A 217 LYS CD . 34422 1 210 . 1 . 1 17 17 LYS CE C 13 41.974 0.000 . . . . . . A 217 LYS CE . 34422 1 211 . 1 . 1 17 17 LYS N N 15 115.213 0.000 . . . . . . A 217 LYS N . 34422 1 212 . 1 . 1 18 18 LYS H H 1 7.951 0.000 . . . . . . A 218 LYS H . 34422 1 213 . 1 . 1 18 18 LYS HA H 1 3.977 0.000 . . . . . . A 218 LYS HA . 34422 1 214 . 1 . 1 18 18 LYS HB2 H 1 2.145 0.000 . . . . . . A 218 LYS HB2 . 34422 1 215 . 1 . 1 18 18 LYS HB3 H 1 1.957 0.000 . . . . . . A 218 LYS HB3 . 34422 1 216 . 1 . 1 18 18 LYS HG2 H 1 1.418 0.000 . . . . . . A 218 LYS HG2 . 34422 1 217 . 1 . 1 18 18 LYS HG3 H 1 1.418 0.000 . . . . . . A 218 LYS HG3 . 34422 1 218 . 1 . 1 18 18 LYS HD2 H 1 1.778 0.000 . . . . . . A 218 LYS HD2 . 34422 1 219 . 1 . 1 18 18 LYS HD3 H 1 1.705 0.000 . . . . . . A 218 LYS HD3 . 34422 1 220 . 1 . 1 18 18 LYS HE2 H 1 3.019 0.000 . . . . . . A 218 LYS HE2 . 34422 1 221 . 1 . 1 18 18 LYS HE3 H 1 3.019 0.000 . . . . . . A 218 LYS HE3 . 34422 1 222 . 1 . 1 18 18 LYS C C 13 175.813 0.000 . . . . . . A 218 LYS C . 34422 1 223 . 1 . 1 18 18 LYS CA C 13 57.078 0.000 . . . . . . A 218 LYS CA . 34422 1 224 . 1 . 1 18 18 LYS CB C 13 28.743 0.000 . . . . . . A 218 LYS CB . 34422 1 225 . 1 . 1 18 18 LYS CG C 13 25.034 0.000 . . . . . . A 218 LYS CG . 34422 1 226 . 1 . 1 18 18 LYS CD C 13 29.014 0.000 . . . . . . A 218 LYS CD . 34422 1 227 . 1 . 1 18 18 LYS CE C 13 42.109 0.000 . . . . . . A 218 LYS CE . 34422 1 228 . 1 . 1 18 18 LYS N N 15 116.033 0.000 . . . . . . A 218 LYS N . 34422 1 229 . 1 . 1 19 19 GLU H H 1 7.797 0.000 . . . . . . A 219 GLU H . 34422 1 230 . 1 . 1 19 19 GLU HA H 1 4.607 0.000 . . . . . . A 219 GLU HA . 34422 1 231 . 1 . 1 19 19 GLU HB2 H 1 2.171 0.000 . . . . . . A 219 GLU HB2 . 34422 1 232 . 1 . 1 19 19 GLU HB3 H 1 1.653 0.000 . . . . . . A 219 GLU HB3 . 34422 1 233 . 1 . 1 19 19 GLU HG2 H 1 2.327 0.000 . . . . . . A 219 GLU HG2 . 34422 1 234 . 1 . 1 19 19 GLU HG3 H 1 2.284 0.000 . . . . . . A 219 GLU HG3 . 34422 1 235 . 1 . 1 19 19 GLU C C 13 177.671 0.000 . . . . . . A 219 GLU C . 34422 1 236 . 1 . 1 19 19 GLU CA C 13 54.308 0.000 . . . . . . A 219 GLU CA . 34422 1 237 . 1 . 1 19 19 GLU CB C 13 34.304 0.000 . . . . . . A 219 GLU CB . 34422 1 238 . 1 . 1 19 19 GLU CG C 13 36.948 0.000 . . . . . . A 219 GLU CG . 34422 1 239 . 1 . 1 19 19 GLU N N 15 117.682 0.000 . . . . . . A 219 GLU N . 34422 1 240 . 1 . 1 20 20 LYS H H 1 8.076 0.000 . . . . . . A 220 LYS H . 34422 1 241 . 1 . 1 20 20 LYS HA H 1 4.090 0.000 . . . . . . A 220 LYS HA . 34422 1 242 . 1 . 1 20 20 LYS HB2 H 1 1.897 0.000 . . . . . . A 220 LYS HB2 . 34422 1 243 . 1 . 1 20 20 LYS HB3 H 1 1.818 0.000 . . . . . . A 220 LYS HB3 . 34422 1 244 . 1 . 1 20 20 LYS HG2 H 1 1.705 0.000 . . . . . . A 220 LYS HG2 . 34422 1 245 . 1 . 1 20 20 LYS HG3 H 1 1.622 0.000 . . . . . . A 220 LYS HG3 . 34422 1 246 . 1 . 1 20 20 LYS HD2 H 1 1.758 0.000 . . . . . . A 220 LYS HD2 . 34422 1 247 . 1 . 1 20 20 LYS HD3 H 1 1.758 0.000 . . . . . . A 220 LYS HD3 . 34422 1 248 . 1 . 1 20 20 LYS HE2 H 1 3.069 0.000 . . . . . . A 220 LYS HE2 . 34422 1 249 . 1 . 1 20 20 LYS HE3 H 1 3.069 0.000 . . . . . . A 220 LYS HE3 . 34422 1 250 . 1 . 1 20 20 LYS C C 13 175.994 0.000 . . . . . . A 220 LYS C . 34422 1 251 . 1 . 1 20 20 LYS CA C 13 57.156 0.000 . . . . . . A 220 LYS CA . 34422 1 252 . 1 . 1 20 20 LYS CB C 13 33.059 0.000 . . . . . . A 220 LYS CB . 34422 1 253 . 1 . 1 20 20 LYS CG C 13 24.789 0.000 . . . . . . A 220 LYS CG . 34422 1 254 . 1 . 1 20 20 LYS CD C 13 29.172 0.000 . . . . . . A 220 LYS CD . 34422 1 255 . 1 . 1 20 20 LYS CE C 13 42.266 0.000 . . . . . . A 220 LYS CE . 34422 1 256 . 1 . 1 20 20 LYS N N 15 119.775 0.000 . . . . . . A 220 LYS N . 34422 1 257 . 1 . 1 21 21 GLU H H 1 8.796 0.000 . . . . . . A 221 GLU H . 34422 1 258 . 1 . 1 21 21 GLU HA H 1 4.448 0.000 . . . . . . A 221 GLU HA . 34422 1 259 . 1 . 1 21 21 GLU HB2 H 1 2.205 0.000 . . . . . . A 221 GLU HB2 . 34422 1 260 . 1 . 1 21 21 GLU HB3 H 1 2.107 0.000 . . . . . . A 221 GLU HB3 . 34422 1 261 . 1 . 1 21 21 GLU HG2 H 1 2.476 0.000 . . . . . . A 221 GLU HG2 . 34422 1 262 . 1 . 1 21 21 GLU HG3 H 1 2.476 0.000 . . . . . . A 221 GLU HG3 . 34422 1 263 . 1 . 1 21 21 GLU CA C 13 55.532 0.000 . . . . . . A 221 GLU CA . 34422 1 264 . 1 . 1 21 21 GLU CB C 13 27.783 0.000 . . . . . . A 221 GLU CB . 34422 1 265 . 1 . 1 21 21 GLU CG C 13 35.905 0.000 . . . . . . A 221 GLU CG . 34422 1 266 . 1 . 1 21 21 GLU N N 15 122.710 0.000 . . . . . . A 221 GLU N . 34422 1 267 . 1 . 1 22 22 PRO HA H 1 4.373 0.000 . . . . . . A 222 PRO HA . 34422 1 268 . 1 . 1 22 22 PRO HB2 H 1 1.674 0.000 . . . . . . A 222 PRO HB2 . 34422 1 269 . 1 . 1 22 22 PRO HB3 H 1 1.639 0.000 . . . . . . A 222 PRO HB3 . 34422 1 270 . 1 . 1 22 22 PRO HG2 H 1 2.394 0.000 . . . . . . A 222 PRO HG2 . 34422 1 271 . 1 . 1 22 22 PRO HG3 H 1 2.394 0.000 . . . . . . A 222 PRO HG3 . 34422 1 272 . 1 . 1 22 22 PRO HD2 H 1 3.806 0.000 . . . . . . A 222 PRO HD2 . 34422 1 273 . 1 . 1 22 22 PRO HD3 H 1 3.740 0.000 . . . . . . A 222 PRO HD3 . 34422 1 274 . 1 . 1 22 22 PRO C C 13 175.005 0.000 . . . . . . A 222 PRO C . 34422 1 275 . 1 . 1 22 22 PRO CA C 13 62.769 0.000 . . . . . . A 222 PRO CA . 34422 1 276 . 1 . 1 22 22 PRO CB C 13 32.457 0.000 . . . . . . A 222 PRO CB . 34422 1 277 . 1 . 1 22 22 PRO CG C 13 28.739 0.000 . . . . . . A 222 PRO CG . 34422 1 278 . 1 . 1 22 22 PRO CD C 13 50.332 0.000 . . . . . . A 222 PRO CD . 34422 1 279 . 1 . 1 23 23 GLU H H 1 7.976 0.000 . . . . . . A 223 GLU H . 34422 1 280 . 1 . 1 23 23 GLU HA H 1 4.761 0.000 . . . . . . A 223 GLU HA . 34422 1 281 . 1 . 1 23 23 GLU HB2 H 1 2.018 0.000 . . . . . . A 223 GLU HB2 . 34422 1 282 . 1 . 1 23 23 GLU HB3 H 1 1.949 0.000 . . . . . . A 223 GLU HB3 . 34422 1 283 . 1 . 1 23 23 GLU HG2 H 1 2.337 0.000 . . . . . . A 223 GLU HG2 . 34422 1 284 . 1 . 1 23 23 GLU HG3 H 1 2.084 0.000 . . . . . . A 223 GLU HG3 . 34422 1 285 . 1 . 1 23 23 GLU C C 13 175.631 0.000 . . . . . . A 223 GLU C . 34422 1 286 . 1 . 1 23 23 GLU CA C 13 54.751 0.000 . . . . . . A 223 GLU CA . 34422 1 287 . 1 . 1 23 23 GLU CB C 13 32.647 0.000 . . . . . . A 223 GLU CB . 34422 1 288 . 1 . 1 23 23 GLU CG C 13 36.188 0.000 . . . . . . A 223 GLU CG . 34422 1 289 . 1 . 1 23 23 GLU N N 15 121.940 0.000 . . . . . . A 223 GLU N . 34422 1 290 . 1 . 1 24 24 TYR H H 1 9.280 0.000 . . . . . . A 224 TYR H . 34422 1 291 . 1 . 1 24 24 TYR HA H 1 5.561 0.000 . . . . . . A 224 TYR HA . 34422 1 292 . 1 . 1 24 24 TYR HB2 H 1 2.894 0.000 . . . . . . A 224 TYR HB2 . 34422 1 293 . 1 . 1 24 24 TYR HB3 H 1 2.894 0.000 . . . . . . A 224 TYR HB3 . 34422 1 294 . 1 . 1 24 24 TYR HD1 H 1 6.937 0.000 . . . . . . A 224 TYR HD1 . 34422 1 295 . 1 . 1 24 24 TYR HD2 H 1 6.937 0.000 . . . . . . A 224 TYR HD2 . 34422 1 296 . 1 . 1 24 24 TYR HE1 H 1 6.614 0.000 . . . . . . A 224 TYR HE1 . 34422 1 297 . 1 . 1 24 24 TYR HE2 H 1 6.614 0.000 . . . . . . A 224 TYR HE2 . 34422 1 298 . 1 . 1 24 24 TYR C C 13 176.259 0.000 . . . . . . A 224 TYR C . 34422 1 299 . 1 . 1 24 24 TYR CA C 13 57.617 0.000 . . . . . . A 224 TYR CA . 34422 1 300 . 1 . 1 24 24 TYR CB C 13 40.246 0.000 . . . . . . A 224 TYR CB . 34422 1 301 . 1 . 1 24 24 TYR CD1 C 13 133.499 0.000 . . . . . . A 224 TYR CD1 . 34422 1 302 . 1 . 1 24 24 TYR CE1 C 13 117.915 0.000 . . . . . . A 224 TYR CE1 . 34422 1 303 . 1 . 1 24 24 TYR N N 15 127.784 0.000 . . . . . . A 224 TYR N . 34422 1 304 . 1 . 1 25 25 THR H H 1 9.191 0.000 . . . . . . A 225 THR H . 34422 1 305 . 1 . 1 25 25 THR HA H 1 4.550 0.000 . . . . . . A 225 THR HA . 34422 1 306 . 1 . 1 25 25 THR HB H 1 3.861 0.000 . . . . . . A 225 THR HB . 34422 1 307 . 1 . 1 25 25 THR HG21 H 1 1.173 0.000 . . . . . . A 225 THR HG21 . 34422 1 308 . 1 . 1 25 25 THR HG22 H 1 1.173 0.000 . . . . . . A 225 THR HG22 . 34422 1 309 . 1 . 1 25 25 THR HG23 H 1 1.173 0.000 . . . . . . A 225 THR HG23 . 34422 1 310 . 1 . 1 25 25 THR C C 13 172.348 0.000 . . . . . . A 225 THR C . 34422 1 311 . 1 . 1 25 25 THR CA C 13 61.385 0.000 . . . . . . A 225 THR CA . 34422 1 312 . 1 . 1 25 25 THR CB C 13 72.269 0.000 . . . . . . A 225 THR CB . 34422 1 313 . 1 . 1 25 25 THR CG2 C 13 21.479 0.000 . . . . . . A 225 THR CG2 . 34422 1 314 . 1 . 1 25 25 THR N N 15 117.769 0.000 . . . . . . A 225 THR N . 34422 1 315 . 1 . 1 26 26 LEU H H 1 8.867 0.000 . . . . . . A 226 LEU H . 34422 1 316 . 1 . 1 26 26 LEU HA H 1 4.887 0.000 . . . . . . A 226 LEU HA . 34422 1 317 . 1 . 1 26 26 LEU HB2 H 1 1.998 0.000 . . . . . . A 226 LEU HB2 . 34422 1 318 . 1 . 1 26 26 LEU HB3 H 1 1.486 0.000 . . . . . . A 226 LEU HB3 . 34422 1 319 . 1 . 1 26 26 LEU HG H 1 1.627 0.000 . . . . . . A 226 LEU HG . 34422 1 320 . 1 . 1 26 26 LEU HD11 H 1 1.066 0.000 . . . . . . A 226 LEU HD11 . 34422 1 321 . 1 . 1 26 26 LEU HD12 H 1 1.066 0.000 . . . . . . A 226 LEU HD12 . 34422 1 322 . 1 . 1 26 26 LEU HD13 H 1 1.066 0.000 . . . . . . A 226 LEU HD13 . 34422 1 323 . 1 . 1 26 26 LEU HD21 H 1 1.138 0.000 . . . . . . A 226 LEU HD21 . 34422 1 324 . 1 . 1 26 26 LEU HD22 H 1 1.138 0.000 . . . . . . A 226 LEU HD22 . 34422 1 325 . 1 . 1 26 26 LEU HD23 H 1 1.138 0.000 . . . . . . A 226 LEU HD23 . 34422 1 326 . 1 . 1 26 26 LEU C C 13 176.095 0.000 . . . . . . A 226 LEU C . 34422 1 327 . 1 . 1 26 26 LEU CA C 13 55.546 0.000 . . . . . . A 226 LEU CA . 34422 1 328 . 1 . 1 26 26 LEU CB C 13 41.878 0.000 . . . . . . A 226 LEU CB . 34422 1 329 . 1 . 1 26 26 LEU CG C 13 27.348 0.000 . . . . . . A 226 LEU CG . 34422 1 330 . 1 . 1 26 26 LEU CD1 C 13 26.330 0.000 . . . . . . A 226 LEU CD1 . 34422 1 331 . 1 . 1 26 26 LEU CD2 C 13 24.552 0.000 . . . . . . A 226 LEU CD2 . 34422 1 332 . 1 . 1 26 26 LEU N N 15 129.025 0.000 . . . . . . A 226 LEU N . 34422 1 333 . 1 . 1 27 27 LEU H H 1 9.083 0.000 . . . . . . A 227 LEU H . 34422 1 334 . 1 . 1 27 27 LEU HA H 1 4.486 0.000 . . . . . . A 227 LEU HA . 34422 1 335 . 1 . 1 27 27 LEU HB2 H 1 1.626 0.000 . . . . . . A 227 LEU HB2 . 34422 1 336 . 1 . 1 27 27 LEU HB3 H 1 1.562 0.000 . . . . . . A 227 LEU HB3 . 34422 1 337 . 1 . 1 27 27 LEU HG H 1 1.606 0.000 . . . . . . A 227 LEU HG . 34422 1 338 . 1 . 1 27 27 LEU HD11 H 1 0.876 0.000 . . . . . . A 227 LEU HD11 . 34422 1 339 . 1 . 1 27 27 LEU HD12 H 1 0.876 0.000 . . . . . . A 227 LEU HD12 . 34422 1 340 . 1 . 1 27 27 LEU HD13 H 1 0.876 0.000 . . . . . . A 227 LEU HD13 . 34422 1 341 . 1 . 1 27 27 LEU HD21 H 1 0.762 0.000 . . . . . . A 227 LEU HD21 . 34422 1 342 . 1 . 1 27 27 LEU HD22 H 1 0.762 0.000 . . . . . . A 227 LEU HD22 . 34422 1 343 . 1 . 1 27 27 LEU HD23 H 1 0.762 0.000 . . . . . . A 227 LEU HD23 . 34422 1 344 . 1 . 1 27 27 LEU C C 13 177.492 0.000 . . . . . . A 227 LEU C . 34422 1 345 . 1 . 1 27 27 LEU CA C 13 55.988 0.000 . . . . . . A 227 LEU CA . 34422 1 346 . 1 . 1 27 27 LEU CB C 13 42.621 0.000 . . . . . . A 227 LEU CB . 34422 1 347 . 1 . 1 27 27 LEU CG C 13 26.579 0.000 . . . . . . A 227 LEU CG . 34422 1 348 . 1 . 1 27 27 LEU CD1 C 13 25.378 0.000 . . . . . . A 227 LEU CD1 . 34422 1 349 . 1 . 1 27 27 LEU CD2 C 13 22.538 0.000 . . . . . . A 227 LEU CD2 . 34422 1 350 . 1 . 1 27 27 LEU N N 15 129.383 0.000 . . . . . . A 227 LEU N . 34422 1 351 . 1 . 1 28 28 THR H H 1 7.627 0.000 . . . . . . A 228 THR H . 34422 1 352 . 1 . 1 28 28 THR HA H 1 4.503 0.000 . . . . . . A 228 THR HA . 34422 1 353 . 1 . 1 28 28 THR HB H 1 4.125 0.000 . . . . . . A 228 THR HB . 34422 1 354 . 1 . 1 28 28 THR HG21 H 1 1.088 0.000 . . . . . . A 228 THR HG21 . 34422 1 355 . 1 . 1 28 28 THR HG22 H 1 1.088 0.000 . . . . . . A 228 THR HG22 . 34422 1 356 . 1 . 1 28 28 THR HG23 H 1 1.088 0.000 . . . . . . A 228 THR HG23 . 34422 1 357 . 1 . 1 28 28 THR C C 13 171.725 0.000 . . . . . . A 228 THR C . 34422 1 358 . 1 . 1 28 28 THR CA C 13 61.617 0.000 . . . . . . A 228 THR CA . 34422 1 359 . 1 . 1 28 28 THR CB C 13 69.907 0.000 . . . . . . A 228 THR CB . 34422 1 360 . 1 . 1 28 28 THR CG2 C 13 20.452 0.000 . . . . . . A 228 THR CG2 . 34422 1 361 . 1 . 1 28 28 THR N N 15 111.165 0.000 . . . . . . A 228 THR N . 34422 1 362 . 1 . 1 29 29 GLU H H 1 8.202 0.000 . . . . . . A 229 GLU H . 34422 1 363 . 1 . 1 29 29 GLU HA H 1 4.753 0.000 . . . . . . A 229 GLU HA . 34422 1 364 . 1 . 1 29 29 GLU HB2 H 1 1.915 0.000 . . . . . . A 229 GLU HB2 . 34422 1 365 . 1 . 1 29 29 GLU HB3 H 1 1.842 0.000 . . . . . . A 229 GLU HB3 . 34422 1 366 . 1 . 1 29 29 GLU HG2 H 1 1.936 0.000 . . . . . . A 229 GLU HG2 . 34422 1 367 . 1 . 1 29 29 GLU HG3 H 1 1.936 0.000 . . . . . . A 229 GLU HG3 . 34422 1 368 . 1 . 1 29 29 GLU C C 13 175.269 0.000 . . . . . . A 229 GLU C . 34422 1 369 . 1 . 1 29 29 GLU CA C 13 55.528 0.000 . . . . . . A 229 GLU CA . 34422 1 370 . 1 . 1 29 29 GLU CB C 13 31.817 0.000 . . . . . . A 229 GLU CB . 34422 1 371 . 1 . 1 29 29 GLU CG C 13 36.104 0.000 . . . . . . A 229 GLU CG . 34422 1 372 . 1 . 1 29 29 GLU N N 15 123.592 0.000 . . . . . . A 229 GLU N . 34422 1 373 . 1 . 1 30 30 ARG H H 1 8.825 0.000 . . . . . . A 230 ARG H . 34422 1 374 . 1 . 1 30 30 ARG HA H 1 4.717 0.000 . . . . . . A 230 ARG HA . 34422 1 375 . 1 . 1 30 30 ARG HB2 H 1 1.826 0.000 . . . . . . A 230 ARG HB2 . 34422 1 376 . 1 . 1 30 30 ARG HB3 H 1 1.826 0.000 . . . . . . A 230 ARG HB3 . 34422 1 377 . 1 . 1 30 30 ARG HG2 H 1 1.508 0.000 . . . . . . A 230 ARG HG2 . 34422 1 378 . 1 . 1 30 30 ARG HG3 H 1 1.508 0.000 . . . . . . A 230 ARG HG3 . 34422 1 379 . 1 . 1 30 30 ARG HD2 H 1 3.103 0.000 . . . . . . A 230 ARG HD2 . 34422 1 380 . 1 . 1 30 30 ARG HD3 H 1 3.103 0.000 . . . . . . A 230 ARG HD3 . 34422 1 381 . 1 . 1 30 30 ARG HE H 1 7.307 0.000 . . . . . . A 230 ARG HE . 34422 1 382 . 1 . 1 30 30 ARG C C 13 175.278 0.000 . . . . . . A 230 ARG C . 34422 1 383 . 1 . 1 30 30 ARG CA C 13 54.851 0.000 . . . . . . A 230 ARG CA . 34422 1 384 . 1 . 1 30 30 ARG CB C 13 31.988 0.000 . . . . . . A 230 ARG CB . 34422 1 385 . 1 . 1 30 30 ARG CG C 13 26.711 0.000 . . . . . . A 230 ARG CG . 34422 1 386 . 1 . 1 30 30 ARG CD C 13 43.561 0.000 . . . . . . A 230 ARG CD . 34422 1 387 . 1 . 1 30 30 ARG N N 15 122.560 0.000 . . . . . . A 230 ARG N . 34422 1 388 . 1 . 1 30 30 ARG NE N 15 85.378 0.000 . . . . . . A 230 ARG NE . 34422 1 389 . 1 . 1 31 31 GLY H H 1 8.461 0.000 . . . . . . A 231 GLY H . 34422 1 390 . 1 . 1 31 31 GLY HA2 H 1 4.266 0.000 . . . . . . A 231 GLY HA2 . 34422 1 391 . 1 . 1 31 31 GLY HA3 H 1 3.931 0.000 . . . . . . A 231 GLY HA3 . 34422 1 392 . 1 . 1 31 31 GLY C C 13 173.687 0.000 . . . . . . A 231 GLY C . 34422 1 393 . 1 . 1 31 31 GLY CA C 13 44.839 0.000 . . . . . . A 231 GLY CA . 34422 1 394 . 1 . 1 31 31 GLY N N 15 109.046 0.000 . . . . . . A 231 GLY N . 34422 1 395 . 1 . 1 32 32 LEU H H 1 7.923 0.000 . . . . . . A 232 LEU H . 34422 1 396 . 1 . 1 32 32 LEU HA H 1 4.629 0.000 . . . . . . A 232 LEU HA . 34422 1 397 . 1 . 1 32 32 LEU HB2 H 1 1.669 0.000 . . . . . . A 232 LEU HB2 . 34422 1 398 . 1 . 1 32 32 LEU HB3 H 1 1.495 0.000 . . . . . . A 232 LEU HB3 . 34422 1 399 . 1 . 1 32 32 LEU HG H 1 1.681 0.000 . . . . . . A 232 LEU HG . 34422 1 400 . 1 . 1 32 32 LEU HD11 H 1 0.919 0.000 . . . . . . A 232 LEU HD11 . 34422 1 401 . 1 . 1 32 32 LEU HD12 H 1 0.919 0.000 . . . . . . A 232 LEU HD12 . 34422 1 402 . 1 . 1 32 32 LEU HD13 H 1 0.919 0.000 . . . . . . A 232 LEU HD13 . 34422 1 403 . 1 . 1 32 32 LEU HD21 H 1 0.930 0.000 . . . . . . A 232 LEU HD21 . 34422 1 404 . 1 . 1 32 32 LEU HD22 H 1 0.930 0.000 . . . . . . A 232 LEU HD22 . 34422 1 405 . 1 . 1 32 32 LEU HD23 H 1 0.930 0.000 . . . . . . A 232 LEU HD23 . 34422 1 406 . 1 . 1 32 32 LEU CA C 13 53.282 0.000 . . . . . . A 232 LEU CA . 34422 1 407 . 1 . 1 32 32 LEU CB C 13 41.755 0.000 . . . . . . A 232 LEU CB . 34422 1 408 . 1 . 1 32 32 LEU CG C 13 27.264 0.000 . . . . . . A 232 LEU CG . 34422 1 409 . 1 . 1 32 32 LEU CD1 C 13 25.291 0.000 . . . . . . A 232 LEU CD1 . 34422 1 410 . 1 . 1 32 32 LEU CD2 C 13 22.941 0.000 . . . . . . A 232 LEU CD2 . 34422 1 411 . 1 . 1 32 32 LEU N N 15 122.816 0.000 . . . . . . A 232 LEU N . 34422 1 412 . 1 . 1 33 33 PRO HA H 1 4.187 0.000 . . . . . . A 233 PRO HA . 34422 1 413 . 1 . 1 33 33 PRO HB2 H 1 2.355 0.000 . . . . . . A 233 PRO HB2 . 34422 1 414 . 1 . 1 33 33 PRO HB3 H 1 1.855 0.000 . . . . . . A 233 PRO HB3 . 34422 1 415 . 1 . 1 33 33 PRO HG2 H 1 2.129 0.000 . . . . . . A 233 PRO HG2 . 34422 1 416 . 1 . 1 33 33 PRO HG3 H 1 2.010 0.000 . . . . . . A 233 PRO HG3 . 34422 1 417 . 1 . 1 33 33 PRO HD2 H 1 3.817 0.000 . . . . . . A 233 PRO HD2 . 34422 1 418 . 1 . 1 33 33 PRO HD3 H 1 3.670 0.000 . . . . . . A 233 PRO HD3 . 34422 1 419 . 1 . 1 33 33 PRO C C 13 177.501 0.000 . . . . . . A 233 PRO C . 34422 1 420 . 1 . 1 33 33 PRO CA C 13 65.424 0.000 . . . . . . A 233 PRO CA . 34422 1 421 . 1 . 1 33 33 PRO CB C 13 31.849 0.000 . . . . . . A 233 PRO CB . 34422 1 422 . 1 . 1 33 33 PRO CG C 13 27.834 0.000 . . . . . . A 233 PRO CG . 34422 1 423 . 1 . 1 33 33 PRO CD C 13 50.169 0.000 . . . . . . A 233 PRO CD . 34422 1 424 . 1 . 1 34 34 ARG H H 1 8.110 0.000 . . . . . . A 234 ARG H . 34422 1 425 . 1 . 1 34 34 ARG HA H 1 4.367 0.000 . . . . . . A 234 ARG HA . 34422 1 426 . 1 . 1 34 34 ARG HB2 H 1 1.979 0.000 . . . . . . A 234 ARG HB2 . 34422 1 427 . 1 . 1 34 34 ARG HB3 H 1 1.820 0.000 . . . . . . A 234 ARG HB3 . 34422 1 428 . 1 . 1 34 34 ARG HG2 H 1 1.549 0.000 . . . . . . A 234 ARG HG2 . 34422 1 429 . 1 . 1 34 34 ARG HG3 H 1 1.549 0.000 . . . . . . A 234 ARG HG3 . 34422 1 430 . 1 . 1 34 34 ARG HD2 H 1 3.132 0.000 . . . . . . A 234 ARG HD2 . 34422 1 431 . 1 . 1 34 34 ARG HD3 H 1 3.132 0.000 . . . . . . A 234 ARG HD3 . 34422 1 432 . 1 . 1 34 34 ARG C C 13 175.723 0.000 . . . . . . A 234 ARG C . 34422 1 433 . 1 . 1 34 34 ARG CA C 13 56.442 0.000 . . . . . . A 234 ARG CA . 34422 1 434 . 1 . 1 34 34 ARG CB C 13 29.608 0.000 . . . . . . A 234 ARG CB . 34422 1 435 . 1 . 1 34 34 ARG CG C 13 27.453 0.000 . . . . . . A 234 ARG CG . 34422 1 436 . 1 . 1 34 34 ARG CD C 13 43.302 0.000 . . . . . . A 234 ARG CD . 34422 1 437 . 1 . 1 34 34 ARG N N 15 114.106 0.000 . . . . . . A 234 ARG N . 34422 1 438 . 1 . 1 35 35 ARG H H 1 7.977 0.000 . . . . . . A 235 ARG H . 34422 1 439 . 1 . 1 35 35 ARG HA H 1 4.589 0.000 . . . . . . A 235 ARG HA . 34422 1 440 . 1 . 1 35 35 ARG HB2 H 1 1.885 0.000 . . . . . . A 235 ARG HB2 . 34422 1 441 . 1 . 1 35 35 ARG HB3 H 1 1.659 0.000 . . . . . . A 235 ARG HB3 . 34422 1 442 . 1 . 1 35 35 ARG HG2 H 1 1.619 0.000 . . . . . . A 235 ARG HG2 . 34422 1 443 . 1 . 1 35 35 ARG HG3 H 1 1.619 0.000 . . . . . . A 235 ARG HG3 . 34422 1 444 . 1 . 1 35 35 ARG HD2 H 1 3.221 0.000 . . . . . . A 235 ARG HD2 . 34422 1 445 . 1 . 1 35 35 ARG HD3 H 1 3.221 0.000 . . . . . . A 235 ARG HD3 . 34422 1 446 . 1 . 1 35 35 ARG C C 13 174.519 0.000 . . . . . . A 235 ARG C . 34422 1 447 . 1 . 1 35 35 ARG CA C 13 55.521 0.000 . . . . . . A 235 ARG CA . 34422 1 448 . 1 . 1 35 35 ARG CB C 13 30.804 0.000 . . . . . . A 235 ARG CB . 34422 1 449 . 1 . 1 35 35 ARG CG C 13 27.117 0.000 . . . . . . A 235 ARG CG . 34422 1 450 . 1 . 1 35 35 ARG CD C 13 43.481 0.000 . . . . . . A 235 ARG CD . 34422 1 451 . 1 . 1 35 35 ARG N N 15 121.158 0.000 . . . . . . A 235 ARG N . 34422 1 452 . 1 . 1 36 36 ARG H H 1 8.391 0.000 . . . . . . A 236 ARG H . 34422 1 453 . 1 . 1 36 36 ARG HA H 1 4.385 0.000 . . . . . . A 236 ARG HA . 34422 1 454 . 1 . 1 36 36 ARG HB2 H 1 1.795 0.000 . . . . . . A 236 ARG HB2 . 34422 1 455 . 1 . 1 36 36 ARG HB3 H 1 1.540 0.000 . . . . . . A 236 ARG HB3 . 34422 1 456 . 1 . 1 36 36 ARG HG2 H 1 1.595 0.000 . . . . . . A 236 ARG HG2 . 34422 1 457 . 1 . 1 36 36 ARG HG3 H 1 1.595 0.000 . . . . . . A 236 ARG HG3 . 34422 1 458 . 1 . 1 36 36 ARG HD2 H 1 3.056 0.000 . . . . . . A 236 ARG HD2 . 34422 1 459 . 1 . 1 36 36 ARG HD3 H 1 2.994 0.000 . . . . . . A 236 ARG HD3 . 34422 1 460 . 1 . 1 36 36 ARG C C 13 175.545 0.000 . . . . . . A 236 ARG C . 34422 1 461 . 1 . 1 36 36 ARG CA C 13 56.007 0.000 . . . . . . A 236 ARG CA . 34422 1 462 . 1 . 1 36 36 ARG CB C 13 31.209 0.000 . . . . . . A 236 ARG CB . 34422 1 463 . 1 . 1 36 36 ARG CG C 13 26.997 0.000 . . . . . . A 236 ARG CG . 34422 1 464 . 1 . 1 36 36 ARG CD C 13 43.289 0.000 . . . . . . A 236 ARG CD . 34422 1 465 . 1 . 1 36 36 ARG N N 15 123.620 0.000 . . . . . . A 236 ARG N . 34422 1 466 . 1 . 1 37 37 GLU H H 1 8.178 0.000 . . . . . . A 237 GLU H . 34422 1 467 . 1 . 1 37 37 GLU HA H 1 4.589 0.000 . . . . . . A 237 GLU HA . 34422 1 468 . 1 . 1 37 37 GLU HB2 H 1 1.781 0.000 . . . . . . A 237 GLU HB2 . 34422 1 469 . 1 . 1 37 37 GLU HB3 H 1 1.712 0.000 . . . . . . A 237 GLU HB3 . 34422 1 470 . 1 . 1 37 37 GLU HG2 H 1 2.085 0.000 . . . . . . A 237 GLU HG2 . 34422 1 471 . 1 . 1 37 37 GLU HG3 H 1 1.955 0.000 . . . . . . A 237 GLU HG3 . 34422 1 472 . 1 . 1 37 37 GLU C C 13 174.134 0.000 . . . . . . A 237 GLU C . 34422 1 473 . 1 . 1 37 37 GLU CA C 13 55.202 0.000 . . . . . . A 237 GLU CA . 34422 1 474 . 1 . 1 37 37 GLU CB C 13 33.109 0.000 . . . . . . A 237 GLU CB . 34422 1 475 . 1 . 1 37 37 GLU CG C 13 36.953 0.000 . . . . . . A 237 GLU CG . 34422 1 476 . 1 . 1 37 37 GLU N N 15 119.830 0.000 . . . . . . A 237 GLU N . 34422 1 477 . 1 . 1 38 38 PHE H H 1 8.882 0.000 . . . . . . A 238 PHE H . 34422 1 478 . 1 . 1 38 38 PHE HA H 1 4.779 0.000 . . . . . . A 238 PHE HA . 34422 1 479 . 1 . 1 38 38 PHE HB2 H 1 2.655 0.000 . . . . . . A 238 PHE HB2 . 34422 1 480 . 1 . 1 38 38 PHE HB3 H 1 2.565 0.000 . . . . . . A 238 PHE HB3 . 34422 1 481 . 1 . 1 38 38 PHE HD1 H 1 7.002 0.000 . . . . . . A 238 PHE HD1 . 34422 1 482 . 1 . 1 38 38 PHE HD2 H 1 7.002 0.000 . . . . . . A 238 PHE HD2 . 34422 1 483 . 1 . 1 38 38 PHE HE1 H 1 7.443 0.000 . . . . . . A 238 PHE HE1 . 34422 1 484 . 1 . 1 38 38 PHE HE2 H 1 7.443 0.000 . . . . . . A 238 PHE HE2 . 34422 1 485 . 1 . 1 38 38 PHE HZ H 1 7.506 0.000 . . . . . . A 238 PHE HZ . 34422 1 486 . 1 . 1 38 38 PHE C C 13 174.668 0.000 . . . . . . A 238 PHE C . 34422 1 487 . 1 . 1 38 38 PHE CA C 13 57.710 0.000 . . . . . . A 238 PHE CA . 34422 1 488 . 1 . 1 38 38 PHE CB C 13 41.429 0.000 . . . . . . A 238 PHE CB . 34422 1 489 . 1 . 1 38 38 PHE CD1 C 13 131.132 0.000 . . . . . . A 238 PHE CD1 . 34422 1 490 . 1 . 1 38 38 PHE CE1 C 13 131.725 0.000 . . . . . . A 238 PHE CE1 . 34422 1 491 . 1 . 1 38 38 PHE CZ C 13 130.700 0.000 . . . . . . A 238 PHE CZ . 34422 1 492 . 1 . 1 38 38 PHE N N 15 121.881 0.000 . . . . . . A 238 PHE N . 34422 1 493 . 1 . 1 39 39 VAL H H 1 8.511 0.000 . . . . . . A 239 VAL H . 34422 1 494 . 1 . 1 39 39 VAL HA H 1 4.946 0.000 . . . . . . A 239 VAL HA . 34422 1 495 . 1 . 1 39 39 VAL HB H 1 2.027 0.000 . . . . . . A 239 VAL HB . 34422 1 496 . 1 . 1 39 39 VAL HG11 H 1 1.210 0.000 . . . . . . A 239 VAL HG11 . 34422 1 497 . 1 . 1 39 39 VAL HG12 H 1 1.210 0.000 . . . . . . A 239 VAL HG12 . 34422 1 498 . 1 . 1 39 39 VAL HG13 H 1 1.210 0.000 . . . . . . A 239 VAL HG13 . 34422 1 499 . 1 . 1 39 39 VAL HG21 H 1 0.849 0.000 . . . . . . A 239 VAL HG21 . 34422 1 500 . 1 . 1 39 39 VAL HG22 H 1 0.849 0.000 . . . . . . A 239 VAL HG22 . 34422 1 501 . 1 . 1 39 39 VAL HG23 H 1 0.849 0.000 . . . . . . A 239 VAL HG23 . 34422 1 502 . 1 . 1 39 39 VAL C C 13 175.178 0.000 . . . . . . A 239 VAL C . 34422 1 503 . 1 . 1 39 39 VAL CA C 13 61.325 0.000 . . . . . . A 239 VAL CA . 34422 1 504 . 1 . 1 39 39 VAL CB C 13 33.150 0.000 . . . . . . A 239 VAL CB . 34422 1 505 . 1 . 1 39 39 VAL CG1 C 13 21.698 0.000 . . . . . . A 239 VAL CG1 . 34422 1 506 . 1 . 1 39 39 VAL CG2 C 13 19.868 0.000 . . . . . . A 239 VAL CG2 . 34422 1 507 . 1 . 1 39 39 VAL N N 15 120.682 0.000 . . . . . . A 239 VAL N . 34422 1 508 . 1 . 1 40 40 MET H H 1 9.386 0.000 . . . . . . A 240 MET H . 34422 1 509 . 1 . 1 40 40 MET HA H 1 5.317 0.000 . . . . . . A 240 MET HA . 34422 1 510 . 1 . 1 40 40 MET HB2 H 1 1.940 0.000 . . . . . . A 240 MET HB2 . 34422 1 511 . 1 . 1 40 40 MET HB3 H 1 1.732 0.000 . . . . . . A 240 MET HB3 . 34422 1 512 . 1 . 1 40 40 MET HG2 H 1 2.540 0.000 . . . . . . A 240 MET HG2 . 34422 1 513 . 1 . 1 40 40 MET HG3 H 1 2.362 0.000 . . . . . . A 240 MET HG3 . 34422 1 514 . 1 . 1 40 40 MET HE1 H 1 1.821 0.000 . . . . . . A 240 MET HE1 . 34422 1 515 . 1 . 1 40 40 MET HE2 H 1 1.821 0.000 . . . . . . A 240 MET HE2 . 34422 1 516 . 1 . 1 40 40 MET HE3 H 1 1.821 0.000 . . . . . . A 240 MET HE3 . 34422 1 517 . 1 . 1 40 40 MET C C 13 173.752 0.000 . . . . . . A 240 MET C . 34422 1 518 . 1 . 1 40 40 MET CA C 13 52.733 0.000 . . . . . . A 240 MET CA . 34422 1 519 . 1 . 1 40 40 MET CB C 13 35.375 0.000 . . . . . . A 240 MET CB . 34422 1 520 . 1 . 1 40 40 MET CG C 13 32.784 0.000 . . . . . . A 240 MET CG . 34422 1 521 . 1 . 1 40 40 MET CE C 13 18.421 0.000 . . . . . . A 240 MET CE . 34422 1 522 . 1 . 1 40 40 MET N N 15 126.332 0.000 . . . . . . A 240 MET N . 34422 1 523 . 1 . 1 41 41 GLN H H 1 9.470 0.000 . . . . . . A 241 GLN H . 34422 1 524 . 1 . 1 41 41 GLN HA H 1 5.495 0.000 . . . . . . A 241 GLN HA . 34422 1 525 . 1 . 1 41 41 GLN HB2 H 1 2.136 0.000 . . . . . . A 241 GLN HB2 . 34422 1 526 . 1 . 1 41 41 GLN HB3 H 1 1.997 0.000 . . . . . . A 241 GLN HB3 . 34422 1 527 . 1 . 1 41 41 GLN HG2 H 1 2.335 0.000 . . . . . . A 241 GLN HG2 . 34422 1 528 . 1 . 1 41 41 GLN HG3 H 1 2.088 0.000 . . . . . . A 241 GLN HG3 . 34422 1 529 . 1 . 1 41 41 GLN HE21 H 1 6.851 0.000 . . . . . . A 241 GLN HE21 . 34422 1 530 . 1 . 1 41 41 GLN HE22 H 1 7.859 0.000 . . . . . . A 241 GLN HE22 . 34422 1 531 . 1 . 1 41 41 GLN C C 13 174.392 0.000 . . . . . . A 241 GLN C . 34422 1 532 . 1 . 1 41 41 GLN CA C 13 53.813 0.000 . . . . . . A 241 GLN CA . 34422 1 533 . 1 . 1 41 41 GLN CB C 13 33.830 0.000 . . . . . . A 241 GLN CB . 34422 1 534 . 1 . 1 41 41 GLN CG C 13 35.996 0.000 . . . . . . A 241 GLN CG . 34422 1 535 . 1 . 1 41 41 GLN N N 15 123.570 0.000 . . . . . . A 241 GLN N . 34422 1 536 . 1 . 1 41 41 GLN NE2 N 15 111.306 0.000 . . . . . . A 241 GLN NE2 . 34422 1 537 . 1 . 1 42 42 VAL H H 1 9.174 0.000 . . . . . . A 242 VAL H . 34422 1 538 . 1 . 1 42 42 VAL HA H 1 5.155 0.000 . . . . . . A 242 VAL HA . 34422 1 539 . 1 . 1 42 42 VAL HB H 1 1.589 0.000 . . . . . . A 242 VAL HB . 34422 1 540 . 1 . 1 42 42 VAL HG11 H 1 0.014 0.000 . . . . . . A 242 VAL HG11 . 34422 1 541 . 1 . 1 42 42 VAL HG12 H 1 0.014 0.000 . . . . . . A 242 VAL HG12 . 34422 1 542 . 1 . 1 42 42 VAL HG13 H 1 0.014 0.000 . . . . . . A 242 VAL HG13 . 34422 1 543 . 1 . 1 42 42 VAL HG21 H 1 0.692 0.000 . . . . . . A 242 VAL HG21 . 34422 1 544 . 1 . 1 42 42 VAL HG22 H 1 0.692 0.000 . . . . . . A 242 VAL HG22 . 34422 1 545 . 1 . 1 42 42 VAL HG23 H 1 0.692 0.000 . . . . . . A 242 VAL HG23 . 34422 1 546 . 1 . 1 42 42 VAL C C 13 171.552 0.000 . . . . . . A 242 VAL C . 34422 1 547 . 1 . 1 42 42 VAL CA C 13 58.064 0.000 . . . . . . A 242 VAL CA . 34422 1 548 . 1 . 1 42 42 VAL CB C 13 35.304 0.000 . . . . . . A 242 VAL CB . 34422 1 549 . 1 . 1 42 42 VAL CG1 C 13 22.539 0.000 . . . . . . A 242 VAL CG1 . 34422 1 550 . 1 . 1 42 42 VAL CG2 C 13 20.918 0.000 . . . . . . A 242 VAL CG2 . 34422 1 551 . 1 . 1 42 42 VAL N N 15 124.115 0.000 . . . . . . A 242 VAL N . 34422 1 552 . 1 . 1 43 43 LYS H H 1 8.430 0.000 . . . . . . A 243 LYS H . 34422 1 553 . 1 . 1 43 43 LYS HA H 1 5.233 0.000 . . . . . . A 243 LYS HA . 34422 1 554 . 1 . 1 43 43 LYS HB2 H 1 1.787 0.000 . . . . . . A 243 LYS HB2 . 34422 1 555 . 1 . 1 43 43 LYS HB3 H 1 1.519 0.000 . . . . . . A 243 LYS HB3 . 34422 1 556 . 1 . 1 43 43 LYS HG2 H 1 1.318 0.000 . . . . . . A 243 LYS HG2 . 34422 1 557 . 1 . 1 43 43 LYS HG3 H 1 1.318 0.000 . . . . . . A 243 LYS HG3 . 34422 1 558 . 1 . 1 43 43 LYS HD2 H 1 1.597 0.000 . . . . . . A 243 LYS HD2 . 34422 1 559 . 1 . 1 43 43 LYS HD3 H 1 1.597 0.000 . . . . . . A 243 LYS HD3 . 34422 1 560 . 1 . 1 43 43 LYS HE2 H 1 2.907 0.000 . . . . . . A 243 LYS HE2 . 34422 1 561 . 1 . 1 43 43 LYS HE3 H 1 2.907 0.000 . . . . . . A 243 LYS HE3 . 34422 1 562 . 1 . 1 43 43 LYS C C 13 176.444 0.000 . . . . . . A 243 LYS C . 34422 1 563 . 1 . 1 43 43 LYS CA C 13 54.752 0.000 . . . . . . A 243 LYS CA . 34422 1 564 . 1 . 1 43 43 LYS CB C 13 36.440 0.000 . . . . . . A 243 LYS CB . 34422 1 565 . 1 . 1 43 43 LYS CG C 13 24.696 0.000 . . . . . . A 243 LYS CG . 34422 1 566 . 1 . 1 43 43 LYS CD C 13 29.519 0.000 . . . . . . A 243 LYS CD . 34422 1 567 . 1 . 1 43 43 LYS CE C 13 41.976 0.000 . . . . . . A 243 LYS CE . 34422 1 568 . 1 . 1 43 43 LYS N N 15 127.594 0.000 . . . . . . A 243 LYS N . 34422 1 569 . 1 . 1 44 44 VAL H H 1 8.297 0.000 . . . . . . A 244 VAL H . 34422 1 570 . 1 . 1 44 44 VAL HA H 1 4.212 0.000 . . . . . . A 244 VAL HA . 34422 1 571 . 1 . 1 44 44 VAL HB H 1 2.150 0.000 . . . . . . A 244 VAL HB . 34422 1 572 . 1 . 1 44 44 VAL HG11 H 1 0.849 0.000 . . . . . . A 244 VAL HG11 . 34422 1 573 . 1 . 1 44 44 VAL HG12 H 1 0.849 0.000 . . . . . . A 244 VAL HG12 . 34422 1 574 . 1 . 1 44 44 VAL HG13 H 1 0.849 0.000 . . . . . . A 244 VAL HG13 . 34422 1 575 . 1 . 1 44 44 VAL HG21 H 1 0.914 0.000 . . . . . . A 244 VAL HG21 . 34422 1 576 . 1 . 1 44 44 VAL HG22 H 1 0.914 0.000 . . . . . . A 244 VAL HG22 . 34422 1 577 . 1 . 1 44 44 VAL HG23 H 1 0.914 0.000 . . . . . . A 244 VAL HG23 . 34422 1 578 . 1 . 1 44 44 VAL C C 13 175.336 0.000 . . . . . . A 244 VAL C . 34422 1 579 . 1 . 1 44 44 VAL CA C 13 61.476 0.000 . . . . . . A 244 VAL CA . 34422 1 580 . 1 . 1 44 44 VAL CB C 13 35.082 0.000 . . . . . . A 244 VAL CB . 34422 1 581 . 1 . 1 44 44 VAL CG1 C 13 22.719 0.000 . . . . . . A 244 VAL CG1 . 34422 1 582 . 1 . 1 44 44 VAL CG2 C 13 21.284 0.000 . . . . . . A 244 VAL CG2 . 34422 1 583 . 1 . 1 44 44 VAL N N 15 126.218 0.000 . . . . . . A 244 VAL N . 34422 1 584 . 1 . 1 45 45 GLY H H 1 8.805 0.000 . . . . . . A 245 GLY H . 34422 1 585 . 1 . 1 45 45 GLY HA2 H 1 3.982 0.000 . . . . . . A 245 GLY HA2 . 34422 1 586 . 1 . 1 45 45 GLY HA3 H 1 3.689 0.000 . . . . . . A 245 GLY HA3 . 34422 1 587 . 1 . 1 45 45 GLY CA C 13 47.162 0.000 . . . . . . A 245 GLY CA . 34422 1 588 . 1 . 1 45 45 GLY N N 15 116.716 0.000 . . . . . . A 245 GLY N . 34422 1 589 . 1 . 1 46 46 ASN HA H 1 4.707 0.000 . . . . . . A 246 ASN HA . 34422 1 590 . 1 . 1 46 46 ASN HB2 H 1 2.762 0.000 . . . . . . A 246 ASN HB2 . 34422 1 591 . 1 . 1 46 46 ASN HB3 H 1 2.493 0.000 . . . . . . A 246 ASN HB3 . 34422 1 592 . 1 . 1 46 46 ASN HD21 H 1 6.770 0.000 . . . . . . A 246 ASN HD21 . 34422 1 593 . 1 . 1 46 46 ASN HD22 H 1 7.412 0.000 . . . . . . A 246 ASN HD22 . 34422 1 594 . 1 . 1 46 46 ASN C C 13 174.772 0.000 . . . . . . A 246 ASN C . 34422 1 595 . 1 . 1 46 46 ASN CA C 13 52.891 0.000 . . . . . . A 246 ASN CA . 34422 1 596 . 1 . 1 46 46 ASN CB C 13 38.218 0.000 . . . . . . A 246 ASN CB . 34422 1 597 . 1 . 1 46 46 ASN ND2 N 15 112.249 0.000 . . . . . . A 246 ASN ND2 . 34422 1 598 . 1 . 1 47 47 HIS H H 1 8.457 0.000 . . . . . . A 247 HIS H . 34422 1 599 . 1 . 1 47 47 HIS HA H 1 4.901 0.000 . . . . . . A 247 HIS HA . 34422 1 600 . 1 . 1 47 47 HIS HB2 H 1 3.293 0.000 . . . . . . A 247 HIS HB2 . 34422 1 601 . 1 . 1 47 47 HIS HB3 H 1 2.886 0.000 . . . . . . A 247 HIS HB3 . 34422 1 602 . 1 . 1 47 47 HIS HD2 H 1 7.137 0.000 . . . . . . A 247 HIS HD2 . 34422 1 603 . 1 . 1 47 47 HIS HE1 H 1 8.073 0.000 . . . . . . A 247 HIS HE1 . 34422 1 604 . 1 . 1 47 47 HIS C C 13 174.564 0.000 . . . . . . A 247 HIS C . 34422 1 605 . 1 . 1 47 47 HIS CA C 13 55.883 0.000 . . . . . . A 247 HIS CA . 34422 1 606 . 1 . 1 47 47 HIS CB C 13 32.315 0.000 . . . . . . A 247 HIS CB . 34422 1 607 . 1 . 1 47 47 HIS CD2 C 13 121.646 0.000 . . . . . . A 247 HIS CD2 . 34422 1 608 . 1 . 1 47 47 HIS CE1 C 13 138.120 0.000 . . . . . . A 247 HIS CE1 . 34422 1 609 . 1 . 1 47 47 HIS N N 15 119.227 0.000 . . . . . . A 247 HIS N . 34422 1 610 . 1 . 1 48 48 THR H H 1 8.419 0.000 . . . . . . A 248 THR H . 34422 1 611 . 1 . 1 48 48 THR HA H 1 5.322 0.000 . . . . . . A 248 THR HA . 34422 1 612 . 1 . 1 48 48 THR HB H 1 3.934 0.000 . . . . . . A 248 THR HB . 34422 1 613 . 1 . 1 48 48 THR HG21 H 1 1.071 0.000 . . . . . . A 248 THR HG21 . 34422 1 614 . 1 . 1 48 48 THR HG22 H 1 1.071 0.000 . . . . . . A 248 THR HG22 . 34422 1 615 . 1 . 1 48 48 THR HG23 H 1 1.071 0.000 . . . . . . A 248 THR HG23 . 34422 1 616 . 1 . 1 48 48 THR C C 13 172.636 0.000 . . . . . . A 248 THR C . 34422 1 617 . 1 . 1 48 48 THR CA C 13 60.560 0.000 . . . . . . A 248 THR CA . 34422 1 618 . 1 . 1 48 48 THR CB C 13 72.012 0.000 . . . . . . A 248 THR CB . 34422 1 619 . 1 . 1 48 48 THR CG2 C 13 21.844 0.000 . . . . . . A 248 THR CG2 . 34422 1 620 . 1 . 1 48 48 THR N N 15 114.247 0.000 . . . . . . A 248 THR N . 34422 1 621 . 1 . 1 49 49 ALA H H 1 8.753 0.000 . . . . . . A 249 ALA H . 34422 1 622 . 1 . 1 49 49 ALA HA H 1 4.760 0.000 . . . . . . A 249 ALA HA . 34422 1 623 . 1 . 1 49 49 ALA HB1 H 1 1.403 0.000 . . . . . . A 249 ALA HB1 . 34422 1 624 . 1 . 1 49 49 ALA HB2 H 1 1.403 0.000 . . . . . . A 249 ALA HB2 . 34422 1 625 . 1 . 1 49 49 ALA HB3 H 1 1.403 0.000 . . . . . . A 249 ALA HB3 . 34422 1 626 . 1 . 1 49 49 ALA C C 13 175.025 0.000 . . . . . . A 249 ALA C . 34422 1 627 . 1 . 1 49 49 ALA CA C 13 50.881 0.000 . . . . . . A 249 ALA CA . 34422 1 628 . 1 . 1 49 49 ALA CB C 13 22.933 0.000 . . . . . . A 249 ALA CB . 34422 1 629 . 1 . 1 49 49 ALA N N 15 122.911 0.000 . . . . . . A 249 ALA N . 34422 1 630 . 1 . 1 50 50 GLU H H 1 8.499 0.000 . . . . . . A 250 GLU H . 34422 1 631 . 1 . 1 50 50 GLU HA H 1 5.689 0.000 . . . . . . A 250 GLU HA . 34422 1 632 . 1 . 1 50 50 GLU HB2 H 1 1.938 0.000 . . . . . . A 250 GLU HB2 . 34422 1 633 . 1 . 1 50 50 GLU HB3 H 1 1.883 0.000 . . . . . . A 250 GLU HB3 . 34422 1 634 . 1 . 1 50 50 GLU HG2 H 1 2.187 0.000 . . . . . . A 250 GLU HG2 . 34422 1 635 . 1 . 1 50 50 GLU HG3 H 1 2.131 0.000 . . . . . . A 250 GLU HG3 . 34422 1 636 . 1 . 1 50 50 GLU C C 13 175.861 0.000 . . . . . . A 250 GLU C . 34422 1 637 . 1 . 1 50 50 GLU CA C 13 54.579 0.000 . . . . . . A 250 GLU CA . 34422 1 638 . 1 . 1 50 50 GLU CB C 13 33.796 0.000 . . . . . . A 250 GLU CB . 34422 1 639 . 1 . 1 50 50 GLU CG C 13 36.764 0.000 . . . . . . A 250 GLU CG . 34422 1 640 . 1 . 1 50 50 GLU N N 15 118.076 0.000 . . . . . . A 250 GLU N . 34422 1 641 . 1 . 1 51 51 GLY H H 1 9.149 0.000 . . . . . . A 251 GLY H . 34422 1 642 . 1 . 1 51 51 GLY HA2 H 1 4.640 0.000 . . . . . . A 251 GLY HA2 . 34422 1 643 . 1 . 1 51 51 GLY HA3 H 1 3.880 0.000 . . . . . . A 251 GLY HA3 . 34422 1 644 . 1 . 1 51 51 GLY C C 13 171.636 0.000 . . . . . . A 251 GLY C . 34422 1 645 . 1 . 1 51 51 GLY CA C 13 44.383 0.000 . . . . . . A 251 GLY CA . 34422 1 646 . 1 . 1 51 51 GLY N N 15 108.669 0.000 . . . . . . A 251 GLY N . 34422 1 647 . 1 . 1 52 52 THR H H 1 8.713 0.000 . . . . . . A 252 THR H . 34422 1 648 . 1 . 1 52 52 THR HA H 1 6.004 0.000 . . . . . . A 252 THR HA . 34422 1 649 . 1 . 1 52 52 THR HB H 1 4.129 0.000 . . . . . . A 252 THR HB . 34422 1 650 . 1 . 1 52 52 THR HG21 H 1 1.211 0.000 . . . . . . A 252 THR HG21 . 34422 1 651 . 1 . 1 52 52 THR HG22 H 1 1.211 0.000 . . . . . . A 252 THR HG22 . 34422 1 652 . 1 . 1 52 52 THR HG23 H 1 1.211 0.000 . . . . . . A 252 THR HG23 . 34422 1 653 . 1 . 1 52 52 THR C C 13 174.477 0.000 . . . . . . A 252 THR C . 34422 1 654 . 1 . 1 52 52 THR CA C 13 59.707 0.000 . . . . . . A 252 THR CA . 34422 1 655 . 1 . 1 52 52 THR CB C 13 71.848 0.000 . . . . . . A 252 THR CB . 34422 1 656 . 1 . 1 52 52 THR CG2 C 13 21.694 0.000 . . . . . . A 252 THR CG2 . 34422 1 657 . 1 . 1 52 52 THR N N 15 113.770 0.000 . . . . . . A 252 THR N . 34422 1 658 . 1 . 1 53 53 GLY H H 1 8.413 0.000 . . . . . . A 253 GLY H . 34422 1 659 . 1 . 1 53 53 GLY HA2 H 1 4.633 0.000 . . . . . . A 253 GLY HA2 . 34422 1 660 . 1 . 1 53 53 GLY HA3 H 1 4.091 0.000 . . . . . . A 253 GLY HA3 . 34422 1 661 . 1 . 1 53 53 GLY C C 13 172.661 0.000 . . . . . . A 253 GLY C . 34422 1 662 . 1 . 1 53 53 GLY CA C 13 45.548 0.000 . . . . . . A 253 GLY CA . 34422 1 663 . 1 . 1 53 53 GLY N N 15 106.901 0.000 . . . . . . A 253 GLY N . 34422 1 664 . 1 . 1 54 54 THR H H 1 8.452 0.000 . . . . . . A 254 THR H . 34422 1 665 . 1 . 1 54 54 THR HA H 1 4.786 0.000 . . . . . . A 254 THR HA . 34422 1 666 . 1 . 1 54 54 THR HB H 1 4.173 0.000 . . . . . . A 254 THR HB . 34422 1 667 . 1 . 1 54 54 THR HG21 H 1 1.393 0.000 . . . . . . A 254 THR HG21 . 34422 1 668 . 1 . 1 54 54 THR HG22 H 1 1.393 0.000 . . . . . . A 254 THR HG22 . 34422 1 669 . 1 . 1 54 54 THR HG23 H 1 1.393 0.000 . . . . . . A 254 THR HG23 . 34422 1 670 . 1 . 1 54 54 THR C C 13 173.241 0.000 . . . . . . A 254 THR C . 34422 1 671 . 1 . 1 54 54 THR CA C 13 62.878 0.000 . . . . . . A 254 THR CA . 34422 1 672 . 1 . 1 54 54 THR CB C 13 69.698 0.000 . . . . . . A 254 THR CB . 34422 1 673 . 1 . 1 54 54 THR CG2 C 13 22.080 0.000 . . . . . . A 254 THR CG2 . 34422 1 674 . 1 . 1 54 54 THR N N 15 110.048 0.000 . . . . . . A 254 THR N . 34422 1 675 . 1 . 1 55 55 ASN H H 1 7.524 0.000 . . . . . . A 255 ASN H . 34422 1 676 . 1 . 1 55 55 ASN HA H 1 4.759 0.000 . . . . . . A 255 ASN HA . 34422 1 677 . 1 . 1 55 55 ASN HB2 H 1 3.161 0.000 . . . . . . A 255 ASN HB2 . 34422 1 678 . 1 . 1 55 55 ASN HB3 H 1 2.933 0.000 . . . . . . A 255 ASN HB3 . 34422 1 679 . 1 . 1 55 55 ASN HD21 H 1 6.682 0.000 . . . . . . A 255 ASN HD21 . 34422 1 680 . 1 . 1 55 55 ASN HD22 H 1 7.677 0.000 . . . . . . A 255 ASN HD22 . 34422 1 681 . 1 . 1 55 55 ASN C C 13 174.679 0.000 . . . . . . A 255 ASN C . 34422 1 682 . 1 . 1 55 55 ASN CA C 13 51.969 0.000 . . . . . . A 255 ASN CA . 34422 1 683 . 1 . 1 55 55 ASN CB C 13 41.426 0.000 . . . . . . A 255 ASN CB . 34422 1 684 . 1 . 1 55 55 ASN N N 15 112.555 0.000 . . . . . . A 255 ASN N . 34422 1 685 . 1 . 1 55 55 ASN ND2 N 15 115.161 0.000 . . . . . . A 255 ASN ND2 . 34422 1 686 . 1 . 1 56 56 LYS H H 1 8.942 0.000 . . . . . . A 256 LYS H . 34422 1 687 . 1 . 1 56 56 LYS HA H 1 3.296 0.000 . . . . . . A 256 LYS HA . 34422 1 688 . 1 . 1 56 56 LYS HB2 H 1 1.493 0.000 . . . . . . A 256 LYS HB2 . 34422 1 689 . 1 . 1 56 56 LYS HB3 H 1 1.451 0.000 . . . . . . A 256 LYS HB3 . 34422 1 690 . 1 . 1 56 56 LYS HG2 H 1 0.761 0.000 . . . . . . A 256 LYS HG2 . 34422 1 691 . 1 . 1 56 56 LYS HG3 H 1 0.594 0.000 . . . . . . A 256 LYS HG3 . 34422 1 692 . 1 . 1 56 56 LYS HD2 H 1 1.549 0.000 . . . . . . A 256 LYS HD2 . 34422 1 693 . 1 . 1 56 56 LYS HD3 H 1 1.506 0.000 . . . . . . A 256 LYS HD3 . 34422 1 694 . 1 . 1 56 56 LYS HE2 H 1 2.739 0.000 . . . . . . A 256 LYS HE2 . 34422 1 695 . 1 . 1 56 56 LYS HE3 H 1 2.619 0.000 . . . . . . A 256 LYS HE3 . 34422 1 696 . 1 . 1 56 56 LYS C C 13 175.707 0.000 . . . . . . A 256 LYS C . 34422 1 697 . 1 . 1 56 56 LYS CA C 13 61.078 0.000 . . . . . . A 256 LYS CA . 34422 1 698 . 1 . 1 56 56 LYS CB C 13 32.455 0.000 . . . . . . A 256 LYS CB . 34422 1 699 . 1 . 1 56 56 LYS CG C 13 26.370 0.000 . . . . . . A 256 LYS CG . 34422 1 700 . 1 . 1 56 56 LYS CD C 13 29.813 0.000 . . . . . . A 256 LYS CD . 34422 1 701 . 1 . 1 56 56 LYS CE C 13 42.031 0.000 . . . . . . A 256 LYS CE . 34422 1 702 . 1 . 1 56 56 LYS N N 15 120.789 0.000 . . . . . . A 256 LYS N . 34422 1 703 . 1 . 1 57 57 LYS H H 1 8.065 0.000 . . . . . . A 257 LYS H . 34422 1 704 . 1 . 1 57 57 LYS HA H 1 3.841 0.000 . . . . . . A 257 LYS HA . 34422 1 705 . 1 . 1 57 57 LYS HB2 H 1 1.822 0.000 . . . . . . A 257 LYS HB2 . 34422 1 706 . 1 . 1 57 57 LYS HB3 H 1 1.772 0.000 . . . . . . A 257 LYS HB3 . 34422 1 707 . 1 . 1 57 57 LYS HG2 H 1 1.475 0.000 . . . . . . A 257 LYS HG2 . 34422 1 708 . 1 . 1 57 57 LYS HG3 H 1 1.312 0.000 . . . . . . A 257 LYS HG3 . 34422 1 709 . 1 . 1 57 57 LYS HD2 H 1 1.654 0.000 . . . . . . A 257 LYS HD2 . 34422 1 710 . 1 . 1 57 57 LYS HD3 H 1 1.654 0.000 . . . . . . A 257 LYS HD3 . 34422 1 711 . 1 . 1 57 57 LYS HE2 H 1 2.916 0.000 . . . . . . A 257 LYS HE2 . 34422 1 712 . 1 . 1 57 57 LYS HE3 H 1 2.916 0.000 . . . . . . A 257 LYS HE3 . 34422 1 713 . 1 . 1 57 57 LYS C C 13 179.530 0.000 . . . . . . A 257 LYS C . 34422 1 714 . 1 . 1 57 57 LYS CA C 13 60.178 0.000 . . . . . . A 257 LYS CA . 34422 1 715 . 1 . 1 57 57 LYS CB C 13 31.769 0.000 . . . . . . A 257 LYS CB . 34422 1 716 . 1 . 1 57 57 LYS CG C 13 25.530 0.000 . . . . . . A 257 LYS CG . 34422 1 717 . 1 . 1 57 57 LYS CD C 13 29.199 0.000 . . . . . . A 257 LYS CD . 34422 1 718 . 1 . 1 57 57 LYS CE C 13 41.888 0.000 . . . . . . A 257 LYS CE . 34422 1 719 . 1 . 1 57 57 LYS N N 15 119.889 0.000 . . . . . . A 257 LYS N . 34422 1 720 . 1 . 1 58 58 VAL H H 1 8.452 0.000 . . . . . . A 258 VAL H . 34422 1 721 . 1 . 1 58 58 VAL HA H 1 3.672 0.000 . . . . . . A 258 VAL HA . 34422 1 722 . 1 . 1 58 58 VAL HB H 1 1.938 0.000 . . . . . . A 258 VAL HB . 34422 1 723 . 1 . 1 58 58 VAL HG11 H 1 1.170 0.000 . . . . . . A 258 VAL HG11 . 34422 1 724 . 1 . 1 58 58 VAL HG12 H 1 1.170 0.000 . . . . . . A 258 VAL HG12 . 34422 1 725 . 1 . 1 58 58 VAL HG13 H 1 1.170 0.000 . . . . . . A 258 VAL HG13 . 34422 1 726 . 1 . 1 58 58 VAL HG21 H 1 1.188 0.000 . . . . . . A 258 VAL HG21 . 34422 1 727 . 1 . 1 58 58 VAL HG22 H 1 1.188 0.000 . . . . . . A 258 VAL HG22 . 34422 1 728 . 1 . 1 58 58 VAL HG23 H 1 1.188 0.000 . . . . . . A 258 VAL HG23 . 34422 1 729 . 1 . 1 58 58 VAL C C 13 177.582 0.000 . . . . . . A 258 VAL C . 34422 1 730 . 1 . 1 58 58 VAL CA C 13 65.998 0.000 . . . . . . A 258 VAL CA . 34422 1 731 . 1 . 1 58 58 VAL CB C 13 32.070 0.000 . . . . . . A 258 VAL CB . 34422 1 732 . 1 . 1 58 58 VAL CG1 C 13 23.170 0.000 . . . . . . A 258 VAL CG1 . 34422 1 733 . 1 . 1 58 58 VAL CG2 C 13 21.694 0.000 . . . . . . A 258 VAL CG2 . 34422 1 734 . 1 . 1 58 58 VAL N N 15 120.483 0.000 . . . . . . A 258 VAL N . 34422 1 735 . 1 . 1 59 59 ALA H H 1 7.602 0.000 . . . . . . A 259 ALA H . 34422 1 736 . 1 . 1 59 59 ALA HA H 1 3.775 0.000 . . . . . . A 259 ALA HA . 34422 1 737 . 1 . 1 59 59 ALA HB1 H 1 1.373 0.000 . . . . . . A 259 ALA HB1 . 34422 1 738 . 1 . 1 59 59 ALA HB2 H 1 1.373 0.000 . . . . . . A 259 ALA HB2 . 34422 1 739 . 1 . 1 59 59 ALA HB3 H 1 1.373 0.000 . . . . . . A 259 ALA HB3 . 34422 1 740 . 1 . 1 59 59 ALA C C 13 178.656 0.000 . . . . . . A 259 ALA C . 34422 1 741 . 1 . 1 59 59 ALA CA C 13 55.844 0.000 . . . . . . A 259 ALA CA . 34422 1 742 . 1 . 1 59 59 ALA CB C 13 18.365 0.000 . . . . . . A 259 ALA CB . 34422 1 743 . 1 . 1 59 59 ALA N N 15 122.105 0.000 . . . . . . A 259 ALA N . 34422 1 744 . 1 . 1 60 60 LYS H H 1 8.137 0.000 . . . . . . A 260 LYS H . 34422 1 745 . 1 . 1 60 60 LYS HA H 1 3.650 0.000 . . . . . . A 260 LYS HA . 34422 1 746 . 1 . 1 60 60 LYS HB2 H 1 1.799 0.000 . . . . . . A 260 LYS HB2 . 34422 1 747 . 1 . 1 60 60 LYS HB3 H 1 1.799 0.000 . . . . . . A 260 LYS HB3 . 34422 1 748 . 1 . 1 60 60 LYS HG2 H 1 0.945 0.000 . . . . . . A 260 LYS HG2 . 34422 1 749 . 1 . 1 60 60 LYS HG3 H 1 0.801 0.000 . . . . . . A 260 LYS HG3 . 34422 1 750 . 1 . 1 60 60 LYS HD2 H 1 1.539 0.000 . . . . . . A 260 LYS HD2 . 34422 1 751 . 1 . 1 60 60 LYS HD3 H 1 1.539 0.000 . . . . . . A 260 LYS HD3 . 34422 1 752 . 1 . 1 60 60 LYS HE2 H 1 1.873 0.000 . . . . . . A 260 LYS HE2 . 34422 1 753 . 1 . 1 60 60 LYS HE3 H 1 1.511 0.000 . . . . . . A 260 LYS HE3 . 34422 1 754 . 1 . 1 60 60 LYS C C 13 177.582 0.000 . . . . . . A 260 LYS C . 34422 1 755 . 1 . 1 60 60 LYS CA C 13 60.641 0.000 . . . . . . A 260 LYS CA . 34422 1 756 . 1 . 1 60 60 LYS CB C 13 33.233 0.000 . . . . . . A 260 LYS CB . 34422 1 757 . 1 . 1 60 60 LYS CG C 13 26.767 0.000 . . . . . . A 260 LYS CG . 34422 1 758 . 1 . 1 60 60 LYS CD C 13 29.504 0.000 . . . . . . A 260 LYS CD . 34422 1 759 . 1 . 1 60 60 LYS CE C 13 40.810 0.000 . . . . . . A 260 LYS CE . 34422 1 760 . 1 . 1 60 60 LYS N N 15 117.926 0.000 . . . . . . A 260 LYS N . 34422 1 761 . 1 . 1 61 61 ARG H H 1 8.115 0.000 . . . . . . A 261 ARG H . 34422 1 762 . 1 . 1 61 61 ARG HA H 1 3.867 0.000 . . . . . . A 261 ARG HA . 34422 1 763 . 1 . 1 61 61 ARG HB2 H 1 2.039 0.000 . . . . . . A 261 ARG HB2 . 34422 1 764 . 1 . 1 61 61 ARG HB3 H 1 2.039 0.000 . . . . . . A 261 ARG HB3 . 34422 1 765 . 1 . 1 61 61 ARG HG2 H 1 1.882 0.000 . . . . . . A 261 ARG HG2 . 34422 1 766 . 1 . 1 61 61 ARG HG3 H 1 1.692 0.000 . . . . . . A 261 ARG HG3 . 34422 1 767 . 1 . 1 61 61 ARG HD2 H 1 3.315 0.000 . . . . . . A 261 ARG HD2 . 34422 1 768 . 1 . 1 61 61 ARG HD3 H 1 3.254 0.000 . . . . . . A 261 ARG HD3 . 34422 1 769 . 1 . 1 61 61 ARG HE H 1 7.442 0.000 . . . . . . A 261 ARG HE . 34422 1 770 . 1 . 1 61 61 ARG C C 13 177.953 0.000 . . . . . . A 261 ARG C . 34422 1 771 . 1 . 1 61 61 ARG CA C 13 60.101 0.000 . . . . . . A 261 ARG CA . 34422 1 772 . 1 . 1 61 61 ARG CB C 13 30.326 0.000 . . . . . . A 261 ARG CB . 34422 1 773 . 1 . 1 61 61 ARG CG C 13 27.969 0.000 . . . . . . A 261 ARG CG . 34422 1 774 . 1 . 1 61 61 ARG CD C 13 44.031 0.000 . . . . . . A 261 ARG CD . 34422 1 775 . 1 . 1 61 61 ARG N N 15 119.103 0.000 . . . . . . A 261 ARG N . 34422 1 776 . 1 . 1 61 61 ARG NE N 15 84.480 0.000 . . . . . . A 261 ARG NE . 34422 1 777 . 1 . 1 62 62 ASN H H 1 8.655 0.000 . . . . . . A 262 ASN H . 34422 1 778 . 1 . 1 62 62 ASN HA H 1 4.634 0.000 . . . . . . A 262 ASN HA . 34422 1 779 . 1 . 1 62 62 ASN HB2 H 1 2.981 0.000 . . . . . . A 262 ASN HB2 . 34422 1 780 . 1 . 1 62 62 ASN HB3 H 1 2.981 0.000 . . . . . . A 262 ASN HB3 . 34422 1 781 . 1 . 1 62 62 ASN HD21 H 1 7.066 0.000 . . . . . . A 262 ASN HD21 . 34422 1 782 . 1 . 1 62 62 ASN HD22 H 1 7.750 0.000 . . . . . . A 262 ASN HD22 . 34422 1 783 . 1 . 1 62 62 ASN C C 13 177.478 0.000 . . . . . . A 262 ASN C . 34422 1 784 . 1 . 1 62 62 ASN CA C 13 55.687 0.000 . . . . . . A 262 ASN CA . 34422 1 785 . 1 . 1 62 62 ASN CB C 13 37.970 0.000 . . . . . . A 262 ASN CB . 34422 1 786 . 1 . 1 62 62 ASN N N 15 117.394 0.000 . . . . . . A 262 ASN N . 34422 1 787 . 1 . 1 62 62 ASN ND2 N 15 111.215 0.000 . . . . . . A 262 ASN ND2 . 34422 1 788 . 1 . 1 63 63 ALA H H 1 8.398 0.000 . . . . . . A 263 ALA H . 34422 1 789 . 1 . 1 63 63 ALA HA H 1 3.881 0.000 . . . . . . A 263 ALA HA . 34422 1 790 . 1 . 1 63 63 ALA HB1 H 1 1.488 0.000 . . . . . . A 263 ALA HB1 . 34422 1 791 . 1 . 1 63 63 ALA HB2 H 1 1.488 0.000 . . . . . . A 263 ALA HB2 . 34422 1 792 . 1 . 1 63 63 ALA HB3 H 1 1.488 0.000 . . . . . . A 263 ALA HB3 . 34422 1 793 . 1 . 1 63 63 ALA C C 13 178.581 0.000 . . . . . . A 263 ALA C . 34422 1 794 . 1 . 1 63 63 ALA CA C 13 55.728 0.000 . . . . . . A 263 ALA CA . 34422 1 795 . 1 . 1 63 63 ALA CB C 13 16.926 0.000 . . . . . . A 263 ALA CB . 34422 1 796 . 1 . 1 63 63 ALA N N 15 124.454 0.000 . . . . . . A 263 ALA N . 34422 1 797 . 1 . 1 64 64 ALA H H 1 8.255 0.000 . . . . . . A 264 ALA H . 34422 1 798 . 1 . 1 64 64 ALA HA H 1 3.944 0.000 . . . . . . A 264 ALA HA . 34422 1 799 . 1 . 1 64 64 ALA HB1 H 1 1.641 0.000 . . . . . . A 264 ALA HB1 . 34422 1 800 . 1 . 1 64 64 ALA HB2 H 1 1.641 0.000 . . . . . . A 264 ALA HB2 . 34422 1 801 . 1 . 1 64 64 ALA HB3 H 1 1.641 0.000 . . . . . . A 264 ALA HB3 . 34422 1 802 . 1 . 1 64 64 ALA C C 13 179.357 0.000 . . . . . . A 264 ALA C . 34422 1 803 . 1 . 1 64 64 ALA CA C 13 55.767 0.000 . . . . . . A 264 ALA CA . 34422 1 804 . 1 . 1 64 64 ALA CB C 13 17.934 0.000 . . . . . . A 264 ALA CB . 34422 1 805 . 1 . 1 64 64 ALA N N 15 119.502 0.000 . . . . . . A 264 ALA N . 34422 1 806 . 1 . 1 65 65 GLU H H 1 8.721 0.000 . . . . . . A 265 GLU H . 34422 1 807 . 1 . 1 65 65 GLU HA H 1 3.979 0.000 . . . . . . A 265 GLU HA . 34422 1 808 . 1 . 1 65 65 GLU HB2 H 1 2.279 0.000 . . . . . . A 265 GLU HB2 . 34422 1 809 . 1 . 1 65 65 GLU HB3 H 1 2.219 0.000 . . . . . . A 265 GLU HB3 . 34422 1 810 . 1 . 1 65 65 GLU HG2 H 1 2.419 0.000 . . . . . . A 265 GLU HG2 . 34422 1 811 . 1 . 1 65 65 GLU HG3 H 1 2.419 0.000 . . . . . . A 265 GLU HG3 . 34422 1 812 . 1 . 1 65 65 GLU C C 13 178.915 0.000 . . . . . . A 265 GLU C . 34422 1 813 . 1 . 1 65 65 GLU CA C 13 60.109 0.000 . . . . . . A 265 GLU CA . 34422 1 814 . 1 . 1 65 65 GLU CB C 13 29.821 0.000 . . . . . . A 265 GLU CB . 34422 1 815 . 1 . 1 65 65 GLU CG C 13 36.496 0.000 . . . . . . A 265 GLU CG . 34422 1 816 . 1 . 1 65 65 GLU N N 15 118.228 0.000 . . . . . . A 265 GLU N . 34422 1 817 . 1 . 1 66 66 ASN H H 1 8.228 0.000 . . . . . . A 266 ASN H . 34422 1 818 . 1 . 1 66 66 ASN HA H 1 4.653 0.000 . . . . . . A 266 ASN HA . 34422 1 819 . 1 . 1 66 66 ASN HB2 H 1 3.005 0.000 . . . . . . A 266 ASN HB2 . 34422 1 820 . 1 . 1 66 66 ASN HB3 H 1 2.915 0.000 . . . . . . A 266 ASN HB3 . 34422 1 821 . 1 . 1 66 66 ASN HD21 H 1 6.854 0.000 . . . . . . A 266 ASN HD21 . 34422 1 822 . 1 . 1 66 66 ASN HD22 H 1 7.991 0.000 . . . . . . A 266 ASN HD22 . 34422 1 823 . 1 . 1 66 66 ASN C C 13 178.474 0.000 . . . . . . A 266 ASN C . 34422 1 824 . 1 . 1 66 66 ASN CA C 13 55.521 0.000 . . . . . . A 266 ASN CA . 34422 1 825 . 1 . 1 66 66 ASN CB C 13 37.470 0.000 . . . . . . A 266 ASN CB . 34422 1 826 . 1 . 1 66 66 ASN N N 15 118.454 0.000 . . . . . . A 266 ASN N . 34422 1 827 . 1 . 1 66 66 ASN ND2 N 15 111.193 0.000 . . . . . . A 266 ASN ND2 . 34422 1 828 . 1 . 1 67 67 MET H H 1 8.462 0.000 . . . . . . A 267 MET H . 34422 1 829 . 1 . 1 67 67 MET HA H 1 4.573 0.000 . . . . . . A 267 MET HA . 34422 1 830 . 1 . 1 67 67 MET HB2 H 1 2.329 0.000 . . . . . . A 267 MET HB2 . 34422 1 831 . 1 . 1 67 67 MET HB3 H 1 1.871 0.000 . . . . . . A 267 MET HB3 . 34422 1 832 . 1 . 1 67 67 MET HG2 H 1 2.396 0.000 . . . . . . A 267 MET HG2 . 34422 1 833 . 1 . 1 67 67 MET HG3 H 1 2.290 0.000 . . . . . . A 267 MET HG3 . 34422 1 834 . 1 . 1 67 67 MET HE1 H 1 1.986 0.000 . . . . . . A 267 MET HE1 . 34422 1 835 . 1 . 1 67 67 MET HE2 H 1 1.986 0.000 . . . . . . A 267 MET HE2 . 34422 1 836 . 1 . 1 67 67 MET HE3 H 1 1.986 0.000 . . . . . . A 267 MET HE3 . 34422 1 837 . 1 . 1 67 67 MET C C 13 177.314 0.000 . . . . . . A 267 MET C . 34422 1 838 . 1 . 1 67 67 MET CA C 13 56.398 0.000 . . . . . . A 267 MET CA . 34422 1 839 . 1 . 1 67 67 MET CB C 13 30.105 0.000 . . . . . . A 267 MET CB . 34422 1 840 . 1 . 1 67 67 MET CG C 13 33.136 0.000 . . . . . . A 267 MET CG . 34422 1 841 . 1 . 1 67 67 MET CE C 13 17.074 0.000 . . . . . . A 267 MET CE . 34422 1 842 . 1 . 1 67 67 MET N N 15 121.365 0.000 . . . . . . A 267 MET N . 34422 1 843 . 1 . 1 68 68 LEU H H 1 8.679 0.000 . . . . . . A 268 LEU H . 34422 1 844 . 1 . 1 68 68 LEU HA H 1 3.894 0.000 . . . . . . A 268 LEU HA . 34422 1 845 . 1 . 1 68 68 LEU HB2 H 1 2.225 0.000 . . . . . . A 268 LEU HB2 . 34422 1 846 . 1 . 1 68 68 LEU HB3 H 1 1.398 0.000 . . . . . . A 268 LEU HB3 . 34422 1 847 . 1 . 1 68 68 LEU HG H 1 1.902 0.000 . . . . . . A 268 LEU HG . 34422 1 848 . 1 . 1 68 68 LEU HD11 H 1 1.000 0.000 . . . . . . A 268 LEU HD11 . 34422 1 849 . 1 . 1 68 68 LEU HD12 H 1 1.000 0.000 . . . . . . A 268 LEU HD12 . 34422 1 850 . 1 . 1 68 68 LEU HD13 H 1 1.000 0.000 . . . . . . A 268 LEU HD13 . 34422 1 851 . 1 . 1 68 68 LEU HD21 H 1 0.676 0.000 . . . . . . A 268 LEU HD21 . 34422 1 852 . 1 . 1 68 68 LEU HD22 H 1 0.676 0.000 . . . . . . A 268 LEU HD22 . 34422 1 853 . 1 . 1 68 68 LEU HD23 H 1 0.676 0.000 . . . . . . A 268 LEU HD23 . 34422 1 854 . 1 . 1 68 68 LEU C C 13 178.737 0.000 . . . . . . A 268 LEU C . 34422 1 855 . 1 . 1 68 68 LEU CA C 13 58.914 0.000 . . . . . . A 268 LEU CA . 34422 1 856 . 1 . 1 68 68 LEU CB C 13 41.121 0.000 . . . . . . A 268 LEU CB . 34422 1 857 . 1 . 1 68 68 LEU CG C 13 27.024 0.000 . . . . . . A 268 LEU CG . 34422 1 858 . 1 . 1 68 68 LEU CD1 C 13 26.416 0.000 . . . . . . A 268 LEU CD1 . 34422 1 859 . 1 . 1 68 68 LEU CD2 C 13 24.541 0.000 . . . . . . A 268 LEU CD2 . 34422 1 860 . 1 . 1 68 68 LEU N N 15 120.514 0.000 . . . . . . A 268 LEU N . 34422 1 861 . 1 . 1 69 69 GLU H H 1 7.605 0.000 . . . . . . A 269 GLU H . 34422 1 862 . 1 . 1 69 69 GLU HA H 1 4.135 0.000 . . . . . . A 269 GLU HA . 34422 1 863 . 1 . 1 69 69 GLU HB2 H 1 2.305 0.000 . . . . . . A 269 GLU HB2 . 34422 1 864 . 1 . 1 69 69 GLU HB3 H 1 2.229 0.000 . . . . . . A 269 GLU HB3 . 34422 1 865 . 1 . 1 69 69 GLU HG2 H 1 2.425 0.000 . . . . . . A 269 GLU HG2 . 34422 1 866 . 1 . 1 69 69 GLU HG3 H 1 2.285 0.000 . . . . . . A 269 GLU HG3 . 34422 1 867 . 1 . 1 69 69 GLU C C 13 180.138 0.000 . . . . . . A 269 GLU C . 34422 1 868 . 1 . 1 69 69 GLU CA C 13 59.615 0.000 . . . . . . A 269 GLU CA . 34422 1 869 . 1 . 1 69 69 GLU CB C 13 29.353 0.000 . . . . . . A 269 GLU CB . 34422 1 870 . 1 . 1 69 69 GLU CG C 13 36.093 0.000 . . . . . . A 269 GLU CG . 34422 1 871 . 1 . 1 69 69 GLU N N 15 117.587 0.000 . . . . . . A 269 GLU N . 34422 1 872 . 1 . 1 70 70 ILE H H 1 7.798 0.000 . . . . . . A 270 ILE H . 34422 1 873 . 1 . 1 70 70 ILE HA H 1 3.707 0.000 . . . . . . A 270 ILE HA . 34422 1 874 . 1 . 1 70 70 ILE HB H 1 2.155 0.000 . . . . . . A 270 ILE HB . 34422 1 875 . 1 . 1 70 70 ILE HG12 H 1 1.241 0.000 . . . . . . A 270 ILE HG12 . 34422 1 876 . 1 . 1 70 70 ILE HG13 H 1 1.241 0.000 . . . . . . A 270 ILE HG13 . 34422 1 877 . 1 . 1 70 70 ILE HG21 H 1 0.684 0.000 . . . . . . A 270 ILE HG21 . 34422 1 878 . 1 . 1 70 70 ILE HG22 H 1 0.684 0.000 . . . . . . A 270 ILE HG22 . 34422 1 879 . 1 . 1 70 70 ILE HG23 H 1 0.684 0.000 . . . . . . A 270 ILE HG23 . 34422 1 880 . 1 . 1 70 70 ILE HD11 H 1 0.996 0.000 . . . . . . A 270 ILE HD11 . 34422 1 881 . 1 . 1 70 70 ILE HD12 H 1 0.996 0.000 . . . . . . A 270 ILE HD12 . 34422 1 882 . 1 . 1 70 70 ILE HD13 H 1 0.996 0.000 . . . . . . A 270 ILE HD13 . 34422 1 883 . 1 . 1 70 70 ILE C C 13 178.283 0.000 . . . . . . A 270 ILE C . 34422 1 884 . 1 . 1 70 70 ILE CA C 13 65.123 0.000 . . . . . . A 270 ILE CA . 34422 1 885 . 1 . 1 70 70 ILE CB C 13 37.954 0.000 . . . . . . A 270 ILE CB . 34422 1 886 . 1 . 1 70 70 ILE CG1 C 13 29.379 0.000 . . . . . . A 270 ILE CG1 . 34422 1 887 . 1 . 1 70 70 ILE CG2 C 13 16.815 0.000 . . . . . . A 270 ILE CG2 . 34422 1 888 . 1 . 1 70 70 ILE CD1 C 13 14.187 0.000 . . . . . . A 270 ILE CD1 . 34422 1 889 . 1 . 1 70 70 ILE N N 15 122.597 0.000 . . . . . . A 270 ILE N . 34422 1 890 . 1 . 1 71 71 LEU H H 1 8.085 0.000 . . . . . . A 271 LEU H . 34422 1 891 . 1 . 1 71 71 LEU HA H 1 4.002 0.000 . . . . . . A 271 LEU HA . 34422 1 892 . 1 . 1 71 71 LEU HB2 H 1 1.821 0.000 . . . . . . A 271 LEU HB2 . 34422 1 893 . 1 . 1 71 71 LEU HB3 H 1 1.627 0.000 . . . . . . A 271 LEU HB3 . 34422 1 894 . 1 . 1 71 71 LEU HG H 1 1.729 0.000 . . . . . . A 271 LEU HG . 34422 1 895 . 1 . 1 71 71 LEU HD11 H 1 0.766 0.000 . . . . . . A 271 LEU HD11 . 34422 1 896 . 1 . 1 71 71 LEU HD12 H 1 0.766 0.000 . . . . . . A 271 LEU HD12 . 34422 1 897 . 1 . 1 71 71 LEU HD13 H 1 0.766 0.000 . . . . . . A 271 LEU HD13 . 34422 1 898 . 1 . 1 71 71 LEU HD21 H 1 0.563 0.000 . . . . . . A 271 LEU HD21 . 34422 1 899 . 1 . 1 71 71 LEU HD22 H 1 0.563 0.000 . . . . . . A 271 LEU HD22 . 34422 1 900 . 1 . 1 71 71 LEU HD23 H 1 0.563 0.000 . . . . . . A 271 LEU HD23 . 34422 1 901 . 1 . 1 71 71 LEU C C 13 176.877 0.000 . . . . . . A 271 LEU C . 34422 1 902 . 1 . 1 71 71 LEU CA C 13 55.216 0.000 . . . . . . A 271 LEU CA . 34422 1 903 . 1 . 1 71 71 LEU CB C 13 42.367 0.000 . . . . . . A 271 LEU CB . 34422 1 904 . 1 . 1 71 71 LEU CG C 13 25.976 0.000 . . . . . . A 271 LEU CG . 34422 1 905 . 1 . 1 71 71 LEU CD1 C 13 26.029 0.000 . . . . . . A 271 LEU CD1 . 34422 1 906 . 1 . 1 71 71 LEU CD2 C 13 20.996 0.000 . . . . . . A 271 LEU CD2 . 34422 1 907 . 1 . 1 71 71 LEU N N 15 116.628 0.000 . . . . . . A 271 LEU N . 34422 1 908 . 1 . 1 72 72 GLY H H 1 7.691 0.000 . . . . . . A 272 GLY H . 34422 1 909 . 1 . 1 72 72 GLY HA2 H 1 3.987 0.000 . . . . . . A 272 GLY HA2 . 34422 1 910 . 1 . 1 72 72 GLY HA3 H 1 3.785 0.000 . . . . . . A 272 GLY HA3 . 34422 1 911 . 1 . 1 72 72 GLY C C 13 174.655 0.000 . . . . . . A 272 GLY C . 34422 1 912 . 1 . 1 72 72 GLY CA C 13 45.617 0.000 . . . . . . A 272 GLY CA . 34422 1 913 . 1 . 1 72 72 GLY N N 15 105.972 0.000 . . . . . . A 272 GLY N . 34422 1 914 . 1 . 1 73 73 PHE H H 1 8.231 0.000 . . . . . . A 273 PHE H . 34422 1 915 . 1 . 1 73 73 PHE HA H 1 4.652 0.000 . . . . . . A 273 PHE HA . 34422 1 916 . 1 . 1 73 73 PHE HB2 H 1 3.255 0.000 . . . . . . A 273 PHE HB2 . 34422 1 917 . 1 . 1 73 73 PHE HB3 H 1 2.692 0.000 . . . . . . A 273 PHE HB3 . 34422 1 918 . 1 . 1 73 73 PHE HD1 H 1 7.156 0.000 . . . . . . A 273 PHE HD1 . 34422 1 919 . 1 . 1 73 73 PHE HD2 H 1 7.156 0.000 . . . . . . A 273 PHE HD2 . 34422 1 920 . 1 . 1 73 73 PHE HE1 H 1 7.311 0.000 . . . . . . A 273 PHE HE1 . 34422 1 921 . 1 . 1 73 73 PHE HE2 H 1 7.311 0.000 . . . . . . A 273 PHE HE2 . 34422 1 922 . 1 . 1 73 73 PHE HZ H 1 7.290 0.000 . . . . . . A 273 PHE HZ . 34422 1 923 . 1 . 1 73 73 PHE C C 13 174.207 0.000 . . . . . . A 273 PHE C . 34422 1 924 . 1 . 1 73 73 PHE CA C 13 57.689 0.000 . . . . . . A 273 PHE CA . 34422 1 925 . 1 . 1 73 73 PHE CB C 13 40.197 0.000 . . . . . . A 273 PHE CB . 34422 1 926 . 1 . 1 73 73 PHE CD1 C 13 131.577 0.000 . . . . . . A 273 PHE CD1 . 34422 1 927 . 1 . 1 73 73 PHE CE1 C 13 131.424 0.000 . . . . . . A 273 PHE CE1 . 34422 1 928 . 1 . 1 73 73 PHE CZ C 13 129.755 0.000 . . . . . . A 273 PHE CZ . 34422 1 929 . 1 . 1 73 73 PHE N N 15 119.611 0.000 . . . . . . A 273 PHE N . 34422 1 930 . 1 . 1 74 74 LYS H H 1 7.720 0.000 . . . . . . A 274 LYS H . 34422 1 931 . 1 . 1 74 74 LYS HA H 1 4.169 0.000 . . . . . . A 274 LYS HA . 34422 1 932 . 1 . 1 74 74 LYS HB2 H 1 1.816 0.000 . . . . . . A 274 LYS HB2 . 34422 1 933 . 1 . 1 74 74 LYS HB3 H 1 1.654 0.000 . . . . . . A 274 LYS HB3 . 34422 1 934 . 1 . 1 74 74 LYS HG2 H 1 1.403 0.000 . . . . . . A 274 LYS HG2 . 34422 1 935 . 1 . 1 74 74 LYS HG3 H 1 1.403 0.000 . . . . . . A 274 LYS HG3 . 34422 1 936 . 1 . 1 74 74 LYS CA C 13 57.888 0.000 . . . . . . A 274 LYS CA . 34422 1 937 . 1 . 1 74 74 LYS CB C 13 34.081 0.000 . . . . . . A 274 LYS CB . 34422 1 938 . 1 . 1 74 74 LYS CG C 13 24.919 0.000 . . . . . . A 274 LYS CG . 34422 1 939 . 1 . 1 74 74 LYS N N 15 126.303 0.000 . . . . . . A 274 LYS N . 34422 1 940 . 2 . 2 1 1 G H1' H 1 5.849 . . . . . . . B 1 G H1' . 34422 1 941 . 2 . 2 1 1 G H2' H 1 4.960 . . . . . . . B 1 G H2' . 34422 1 942 . 2 . 2 1 1 G H3' H 1 4.746 . . . . . . . B 1 G H3' . 34422 1 943 . 2 . 2 1 1 G H4' H 1 4.592 . . . . . . . B 1 G H4' . 34422 1 944 . 2 . 2 1 1 G H5' H 1 4.422 . . . . . . . B 1 G H5' . 34422 1 945 . 2 . 2 1 1 G H5'' H 1 4.301 . . . . . . . B 1 G H5" . 34422 1 946 . 2 . 2 1 1 G H8 H 1 8.145 . . . . . . . B 1 G H8 . 34422 1 947 . 2 . 2 1 1 G C1' C 13 88.296 . . . . . . . B 1 G C1' . 34422 1 948 . 2 . 2 1 1 G C2' C 13 72.388 . . . . . . . B 1 G C2' . 34422 1 949 . 2 . 2 1 1 G C3' C 13 72.517 . . . . . . . B 1 G C3' . 34422 1 950 . 2 . 2 1 1 G C4' C 13 81.055 . . . . . . . B 1 G C4' . 34422 1 951 . 2 . 2 1 1 G C5' C 13 64.991 . . . . . . . B 1 G C5' . 34422 1 952 . 2 . 2 2 2 G H1' H 1 5.925 . . . . . . . B 2 G H1' . 34422 1 953 . 2 . 2 2 2 G H2' H 1 4.601 . . . . . . . B 2 G H2' . 34422 1 954 . 2 . 2 2 2 G H3' H 1 4.571 . . . . . . . B 2 G H3' . 34422 1 955 . 2 . 2 2 2 G H4' H 1 4.580 . . . . . . . B 2 G H4' . 34422 1 956 . 2 . 2 2 2 G H5' H 1 4.518 . . . . . . . B 2 G H5' . 34422 1 957 . 2 . 2 2 2 G H5'' H 1 4.332 . . . . . . . B 2 G H5" . 34422 1 958 . 2 . 2 2 2 G H8 H 1 7.635 . . . . . . . B 2 G H8 . 34422 1 959 . 2 . 2 2 2 G C1' C 13 90.357 . . . . . . . B 2 G C1' . 34422 1 960 . 2 . 2 2 2 G C2' C 13 72.755 . . . . . . . B 2 G C2' . 34422 1 961 . 2 . 2 2 2 G C3' C 13 70.664 . . . . . . . B 2 G C3' . 34422 1 962 . 2 . 2 2 2 G C4' C 13 80.051 . . . . . . . B 2 G C4' . 34422 1 963 . 2 . 2 2 2 G C5' C 13 63.911 . . . . . . . B 2 G C5' . 34422 1 964 . 2 . 2 3 3 C H1' H 1 5.548 . . . . . . . B 3 C H1' . 34422 1 965 . 2 . 2 3 3 C H2' H 1 4.598 . . . . . . . B 3 C H2' . 34422 1 966 . 2 . 2 3 3 C H3' H 1 4.553 . . . . . . . B 3 C H3' . 34422 1 967 . 2 . 2 3 3 C H4' H 1 4.472 . . . . . . . B 3 C H4' . 34422 1 968 . 2 . 2 3 3 C H5 H 1 5.279 . . . . . . . B 3 C H5 . 34422 1 969 . 2 . 2 3 3 C H5' H 1 4.579 . . . . . . . B 3 C H5' . 34422 1 970 . 2 . 2 3 3 C H5'' H 1 4.151 . . . . . . . B 3 C H5" . 34422 1 971 . 2 . 2 3 3 C H6 H 1 7.656 . . . . . . . B 3 C H6 . 34422 1 972 . 2 . 2 3 3 C C1' C 13 91.238 . . . . . . . B 3 C C1' . 34422 1 973 . 2 . 2 3 3 C C2' C 13 72.805 . . . . . . . B 3 C C2' . 34422 1 974 . 2 . 2 3 3 C C3' C 13 69.694 . . . . . . . B 3 C C3' . 34422 1 975 . 2 . 2 3 3 C C4' C 13 79.700 . . . . . . . B 3 C C4' . 34422 1 976 . 2 . 2 3 3 C C5 C 13 94.900 . . . . . . . B 3 C C5 . 34422 1 977 . 2 . 2 3 3 C C5' C 13 62.065 . . . . . . . B 3 C C5' . 34422 1 978 . 2 . 2 4 4 A H1' H 1 5.983 . . . . . . . B 4 A H1' . 34422 1 979 . 2 . 2 4 4 A H2 H 1 6.984 . . . . . . . B 4 A H2 . 34422 1 980 . 2 . 2 4 4 A H2' H 1 4.742 . . . . . . . B 4 A H2' . 34422 1 981 . 2 . 2 4 4 A H3' H 1 4.681 . . . . . . . B 4 A H3' . 34422 1 982 . 2 . 2 4 4 A H4' H 1 4.531 . . . . . . . B 4 A H4' . 34422 1 983 . 2 . 2 4 4 A H5' H 1 4.557 . . . . . . . B 4 A H5' . 34422 1 984 . 2 . 2 4 4 A H5'' H 1 4.192 . . . . . . . B 4 A H5" . 34422 1 985 . 2 . 2 4 4 A H8 H 1 7.961 . . . . . . . B 4 A H8 . 34422 1 986 . 2 . 2 4 4 A C1' C 13 90.346 . . . . . . . B 4 A C1' . 34422 1 987 . 2 . 2 4 4 A C2' C 13 73.185 . . . . . . . B 4 A C2' . 34422 1 988 . 2 . 2 4 4 A C3' C 13 70.594 . . . . . . . B 4 A C3' . 34422 1 989 . 2 . 2 4 4 A C4' C 13 79.404 . . . . . . . B 4 A C4' . 34422 1 990 . 2 . 2 4 4 A C5' C 13 62.872 . . . . . . . B 4 A C5' . 34422 1 991 . 2 . 2 5 5 G H1' H 1 5.541 . . . . . . . B 5 G H1' . 34422 1 992 . 2 . 2 5 5 G H2' H 1 4.540 . . . . . . . B 5 G H2' . 34422 1 993 . 2 . 2 5 5 G H3' H 1 4.435 . . . . . . . B 5 G H3' . 34422 1 994 . 2 . 2 5 5 G H4' H 1 4.458 . . . . . . . B 5 G H4' . 34422 1 995 . 2 . 2 5 5 G H5' H 1 4.448 . . . . . . . B 5 G H5' . 34422 1 996 . 2 . 2 5 5 G H5'' H 1 4.075 . . . . . . . B 5 G H5" . 34422 1 997 . 2 . 2 5 5 G H8 H 1 7.068 . . . . . . . B 5 G H8 . 34422 1 998 . 2 . 2 5 5 G C1' C 13 90.082 . . . . . . . B 5 G C1' . 34422 1 999 . 2 . 2 5 5 G C2' C 13 72.766 . . . . . . . B 5 G C2' . 34422 1 1000 . 2 . 2 5 5 G C3' C 13 70.568 . . . . . . . B 5 G C3' . 34422 1 1001 . 2 . 2 5 5 G C4' C 13 79.604 . . . . . . . B 5 G C4' . 34422 1 1002 . 2 . 2 5 5 G C5' C 13 63.525 . . . . . . . B 5 G C5' . 34422 1 1003 . 2 . 2 6 6 A H1' H 1 5.906 . . . . . . . B 6 A H1' . 34422 1 1004 . 2 . 2 6 6 A H2 H 1 7.159 . . . . . . . B 6 A H2 . 34422 1 1005 . 2 . 2 6 6 A H2' H 1 4.604 . . . . . . . B 6 A H2' . 34422 1 1006 . 2 . 2 6 6 A H3' H 1 4.679 . . . . . . . B 6 A H3' . 34422 1 1007 . 2 . 2 6 6 A H4' H 1 4.518 . . . . . . . B 6 A H4' . 34422 1 1008 . 2 . 2 6 6 A H5' H 1 4.575 . . . . . . . B 6 A H5' . 34422 1 1009 . 2 . 2 6 6 A H5'' H 1 4.143 . . . . . . . B 6 A H5" . 34422 1 1010 . 2 . 2 6 6 A H8 H 1 7.653 . . . . . . . B 6 A H8 . 34422 1 1011 . 2 . 2 6 6 A C1' C 13 90.389 . . . . . . . B 6 A C1' . 34422 1 1012 . 2 . 2 6 6 A C2' C 13 72.994 . . . . . . . B 6 A C2' . 34422 1 1013 . 2 . 2 6 6 A C3' C 13 70.100 . . . . . . . B 6 A C3' . 34422 1 1014 . 2 . 2 6 6 A C4' C 13 79.200 . . . . . . . B 6 A C4' . 34422 1 1015 . 2 . 2 6 6 A C5' C 13 62.332 . . . . . . . B 6 A C5' . 34422 1 1016 . 2 . 2 7 7 A H1' H 1 5.966 . . . . . . . B 7 A H1' . 34422 1 1017 . 2 . 2 7 7 A H2 H 1 7.401 . . . . . . . B 7 A H2 . 34422 1 1018 . 2 . 2 7 7 A H2' H 1 4.603 . . . . . . . B 7 A H2' . 34422 1 1019 . 2 . 2 7 7 A H3' H 1 4.610 . . . . . . . B 7 A H3' . 34422 1 1020 . 2 . 2 7 7 A H4' H 1 4.514 . . . . . . . B 7 A H4' . 34422 1 1021 . 2 . 2 7 7 A H5' H 1 4.562 . . . . . . . B 7 A H5' . 34422 1 1022 . 2 . 2 7 7 A H5'' H 1 4.153 . . . . . . . B 7 A H5" . 34422 1 1023 . 2 . 2 7 7 A H8 H 1 7.708 . . . . . . . B 7 A H8 . 34422 1 1024 . 2 . 2 7 7 A C1' C 13 89.618 . . . . . . . B 7 A C1' . 34422 1 1025 . 2 . 2 7 7 A C2' C 13 73.487 . . . . . . . B 7 A C2' . 34422 1 1026 . 2 . 2 7 7 A C3' C 13 70.561 . . . . . . . B 7 A C3' . 34422 1 1027 . 2 . 2 7 7 A C4' C 13 79.496 . . . . . . . B 7 A C4' . 34422 1 1028 . 2 . 2 7 7 A C5' C 13 62.677 . . . . . . . B 7 A C5' . 34422 1 1029 . 2 . 2 8 8 G H1' H 1 5.623 . . . . . . . B 8 G H1' . 34422 1 1030 . 2 . 2 8 8 G H2' H 1 4.637 . . . . . . . B 8 G H2' . 34422 1 1031 . 2 . 2 8 8 G H3' H 1 4.191 . . . . . . . B 8 G H3' . 34422 1 1032 . 2 . 2 8 8 G H4' H 1 4.508 . . . . . . . B 8 G H4' . 34422 1 1033 . 2 . 2 8 8 G H5' H 1 4.374 . . . . . . . B 8 G H5' . 34422 1 1034 . 2 . 2 8 8 G H5'' H 1 4.032 . . . . . . . B 8 G H5" . 34422 1 1035 . 2 . 2 8 8 G H8 H 1 7.006 . . . . . . . B 8 G H8 . 34422 1 1036 . 2 . 2 8 8 G C1' C 13 90.828 . . . . . . . B 8 G C1' . 34422 1 1037 . 2 . 2 8 8 G C2' C 13 72.507 . . . . . . . B 8 G C2' . 34422 1 1038 . 2 . 2 8 8 G C3' C 13 70.916 . . . . . . . B 8 G C3' . 34422 1 1039 . 2 . 2 8 8 G C4' C 13 79.836 . . . . . . . B 8 G C4' . 34422 1 1040 . 2 . 2 8 8 G C5' C 13 64.466 . . . . . . . B 8 G C5' . 34422 1 1041 . 2 . 2 9 9 C H1' H 1 5.558 . . . . . . . B 9 C H1' . 34422 1 1042 . 2 . 2 9 9 C H2' H 1 4.313 . . . . . . . B 9 C H2' . 34422 1 1043 . 2 . 2 9 9 C H3' H 1 4.514 . . . . . . . B 9 C H3' . 34422 1 1044 . 2 . 2 9 9 C H4' H 1 4.473 . . . . . . . B 9 C H4' . 34422 1 1045 . 2 . 2 9 9 C H5 H 1 5.284 . . . . . . . B 9 C H5 . 34422 1 1046 . 2 . 2 9 9 C H6 H 1 7.680 . . . . . . . B 9 C H6 . 34422 1 1047 . 2 . 2 9 9 C C1' C 13 91.391 . . . . . . . B 9 C C1' . 34422 1 1048 . 2 . 2 9 9 C C2' C 13 73.034 . . . . . . . B 9 C C2' . 34422 1 1049 . 2 . 2 9 9 C C3' C 13 69.393 . . . . . . . B 9 C C3' . 34422 1 1050 . 2 . 2 9 9 C C4' C 13 79.700 . . . . . . . B 9 C C4' . 34422 1 1051 . 2 . 2 9 9 C C5 C 13 94.780 . . . . . . . B 9 C C5 . 34422 1 1052 . 2 . 2 10 10 U H1' H 1 5.583 . . . . . . . B 10 U H1' . 34422 1 1053 . 2 . 2 10 10 U H2' H 1 4.670 . . . . . . . B 10 U H2' . 34422 1 1054 . 2 . 2 10 10 U H3' H 1 4.635 . . . . . . . B 10 U H3' . 34422 1 1055 . 2 . 2 10 10 U H4' H 1 4.478 . . . . . . . B 10 U H4' . 34422 1 1056 . 2 . 2 10 10 U H5 H 1 5.394 . . . . . . . B 10 U H5 . 34422 1 1057 . 2 . 2 10 10 U H5' H 1 4.580 . . . . . . . B 10 U H5' . 34422 1 1058 . 2 . 2 10 10 U H5'' H 1 4.143 . . . . . . . B 10 U H5" . 34422 1 1059 . 2 . 2 10 10 U H6 H 1 7.864 . . . . . . . B 10 U H6 . 34422 1 1060 . 2 . 2 10 10 U C1' C 13 91.415 . . . . . . . B 10 U C1' . 34422 1 1061 . 2 . 2 10 10 U C2' C 13 72.649 . . . . . . . B 10 U C2' . 34422 1 1062 . 2 . 2 10 10 U C3' C 13 70.004 . . . . . . . B 10 U C3' . 34422 1 1063 . 2 . 2 10 10 U C4' C 13 79.700 . . . . . . . B 10 U C4' . 34422 1 1064 . 2 . 2 10 10 U C5 C 13 101.117 . . . . . . . B 10 U C5 . 34422 1 1065 . 2 . 2 10 10 U C5' C 13 62.127 . . . . . . . B 10 U C5' . 34422 1 1066 . 2 . 2 11 11 G H1' H 1 5.839 . . . . . . . B 11 G H1' . 34422 1 1067 . 2 . 2 11 11 G H2' H 1 4.529 . . . . . . . B 11 G H2' . 34422 1 1068 . 2 . 2 11 11 G H3' H 1 4.627 . . . . . . . B 11 G H3' . 34422 1 1069 . 2 . 2 11 11 G H4' H 1 4.543 . . . . . . . B 11 G H4' . 34422 1 1070 . 2 . 2 11 11 G H5' H 1 4.557 . . . . . . . B 11 G H5' . 34422 1 1071 . 2 . 2 11 11 G H5'' H 1 4.207 . . . . . . . B 11 G H5" . 34422 1 1072 . 2 . 2 11 11 G H8 H 1 7.793 . . . . . . . B 11 G H8 . 34422 1 1073 . 2 . 2 11 11 G C1' C 13 90.101 . . . . . . . B 11 G C1' . 34422 1 1074 . 2 . 2 11 11 G C2' C 13 72.694 . . . . . . . B 11 G C2' . 34422 1 1075 . 2 . 2 11 11 G C3' C 13 70.427 . . . . . . . B 11 G C3' . 34422 1 1076 . 2 . 2 11 11 G C4' C 13 79.586 . . . . . . . B 11 G C4' . 34422 1 1077 . 2 . 2 11 11 G C5' C 13 63.035 . . . . . . . B 11 G C5' . 34422 1 1078 . 2 . 2 12 12 C H1' H 1 5.513 . . . . . . . B 12 C H1' . 34422 1 1079 . 2 . 2 12 12 C H2' H 1 4.394 . . . . . . . B 12 C H2' . 34422 1 1080 . 2 . 2 12 12 C H3' H 1 4.472 . . . . . . . B 12 C H3' . 34422 1 1081 . 2 . 2 12 12 C H4' H 1 4.455 . . . . . . . B 12 C H4' . 34422 1 1082 . 2 . 2 12 12 C H5 H 1 5.255 . . . . . . . B 12 C H5 . 34422 1 1083 . 2 . 2 12 12 C H6 H 1 7.723 . . . . . . . B 12 C H6 . 34422 1 1084 . 2 . 2 12 12 C C1' C 13 91.437 . . . . . . . B 12 C C1' . 34422 1 1085 . 2 . 2 12 12 C C2' C 13 72.882 . . . . . . . B 12 C C2' . 34422 1 1086 . 2 . 2 12 12 C C3' C 13 69.415 . . . . . . . B 12 C C3' . 34422 1 1087 . 2 . 2 12 12 C C4' C 13 79.550 . . . . . . . B 12 C C4' . 34422 1 1088 . 2 . 2 12 12 C C5 C 13 94.403 . . . . . . . B 12 C C5 . 34422 1 1089 . 2 . 2 13 13 C H1' H 1 5.522 . . . . . . . B 13 C H1' . 34422 1 1090 . 2 . 2 13 13 C H2' H 1 4.388 . . . . . . . B 13 C H2' . 34422 1 1091 . 2 . 2 13 13 C H3' H 1 4.560 . . . . . . . B 13 C H3' . 34422 1 1092 . 2 . 2 13 13 C H4' H 1 4.469 . . . . . . . B 13 C H4' . 34422 1 1093 . 2 . 2 13 13 C H5 H 1 5.528 . . . . . . . B 13 C H5 . 34422 1 1094 . 2 . 2 13 13 C H5' H 1 4.548 . . . . . . . B 13 C H5' . 34422 1 1095 . 2 . 2 13 13 C H5'' H 1 4.120 . . . . . . . B 13 C H5" . 34422 1 1096 . 2 . 2 13 13 C H6 H 1 7.797 . . . . . . . B 13 C H6 . 34422 1 1097 . 2 . 2 13 13 C C1' C 13 91.498 . . . . . . . B 13 C C1' . 34422 1 1098 . 2 . 2 13 13 C C2' C 13 72.806 . . . . . . . B 13 C C2' . 34422 1 1099 . 2 . 2 13 13 C C3' C 13 69.910 . . . . . . . B 13 C C3' . 34422 1 1100 . 2 . 2 13 13 C C4' C 13 79.550 . . . . . . . B 13 C C4' . 34422 1 1101 . 2 . 2 13 13 C C5 C 13 95.148 . . . . . . . B 13 C C5 . 34422 1 1102 . 2 . 2 13 13 C C5' C 13 61.994 . . . . . . . B 13 C C5' . 34422 1 1103 . 2 . 2 14 14 U H1' H 1 5.560 . . . . . . . B 14 U H1' . 34422 1 1104 . 2 . 2 14 14 U H2' H 1 4.449 . . . . . . . B 14 U H2' . 34422 1 1105 . 2 . 2 14 14 U H3' H 1 4.560 . . . . . . . B 14 U H3' . 34422 1 1106 . 2 . 2 14 14 U H4' H 1 4.479 . . . . . . . B 14 U H4' . 34422 1 1107 . 2 . 2 14 14 U H5 H 1 5.425 . . . . . . . B 14 U H5 . 34422 1 1108 . 2 . 2 14 14 U H5' H 1 4.600 . . . . . . . B 14 U H5' . 34422 1 1109 . 2 . 2 14 14 U H5'' H 1 4.127 . . . . . . . B 14 U H5" . 34422 1 1110 . 2 . 2 14 14 U H6 H 1 7.956 . . . . . . . B 14 U H6 . 34422 1 1111 . 2 . 2 14 14 U C1' C 13 91.280 . . . . . . . B 14 U C1' . 34422 1 1112 . 2 . 2 14 14 U C2' C 13 72.906 . . . . . . . B 14 U C2' . 34422 1 1113 . 2 . 2 14 14 U C3' C 13 69.600 . . . . . . . B 14 U C3' . 34422 1 1114 . 2 . 2 14 14 U C4' C 13 79.700 . . . . . . . B 14 U C4' . 34422 1 1115 . 2 . 2 14 14 U C5 C 13 100.666 . . . . . . . B 14 U C5 . 34422 1 1116 . 2 . 2 14 14 U C5' C 13 61.802 . . . . . . . B 14 U C5' . 34422 1 1117 . 2 . 2 15 15 C H1' H 1 5.575 . . . . . . . B 15 C H1' . 34422 1 1118 . 2 . 2 15 15 C H2' H 1 4.575 . . . . . . . B 15 C H2' . 34422 1 1119 . 2 . 2 15 15 C H3' H 1 4.337 . . . . . . . B 15 C H3' . 34422 1 1120 . 2 . 2 15 15 C H4' H 1 4.473 . . . . . . . B 15 C H4' . 34422 1 1121 . 2 . 2 15 15 C H5 H 1 5.646 . . . . . . . B 15 C H5 . 34422 1 1122 . 2 . 2 15 15 C H5' H 1 4.545 . . . . . . . B 15 C H5' . 34422 1 1123 . 2 . 2 15 15 C H5'' H 1 4.112 . . . . . . . B 15 C H5" . 34422 1 1124 . 2 . 2 15 15 C H6 H 1 7.794 . . . . . . . B 15 C H6 . 34422 1 1125 . 2 . 2 15 15 C C1' C 13 91.272 . . . . . . . B 15 C C1' . 34422 1 1126 . 2 . 2 15 15 C C2' C 13 72.671 . . . . . . . B 15 C C2' . 34422 1 1127 . 2 . 2 15 15 C C3' C 13 69.387 . . . . . . . B 15 C C3' . 34422 1 1128 . 2 . 2 15 15 C C4' C 13 79.510 . . . . . . . B 15 C C4' . 34422 1 1129 . 2 . 2 15 15 C C5 C 13 94.842 . . . . . . . B 15 C C5 . 34422 1 1130 . 2 . 2 15 15 C C5' C 13 61.740 . . . . . . . B 15 C C5' . 34422 1 1131 . 2 . 2 16 16 U H1' H 1 5.541 . . . . . . . B 16 U H1' . 34422 1 1132 . 2 . 2 16 16 U H2' H 1 3.765 . . . . . . . B 16 U H2' . 34422 1 1133 . 2 . 2 16 16 U H3' H 1 4.564 . . . . . . . B 16 U H3' . 34422 1 1134 . 2 . 2 16 16 U H4' H 1 4.376 . . . . . . . B 16 U H4' . 34422 1 1135 . 2 . 2 16 16 U H5 H 1 5.753 . . . . . . . B 16 U H5 . 34422 1 1136 . 2 . 2 16 16 U H5' H 1 4.534 . . . . . . . B 16 U H5' . 34422 1 1137 . 2 . 2 16 16 U H5'' H 1 4.115 . . . . . . . B 16 U H5" . 34422 1 1138 . 2 . 2 16 16 U H6 H 1 7.792 . . . . . . . B 16 U H6 . 34422 1 1139 . 2 . 2 16 16 U C1' C 13 91.799 . . . . . . . B 16 U C1' . 34422 1 1140 . 2 . 2 16 16 U C2' C 13 73.242 . . . . . . . B 16 U C2' . 34422 1 1141 . 2 . 2 16 16 U C3' C 13 70.446 . . . . . . . B 16 U C3' . 34422 1 1142 . 2 . 2 16 16 U C4' C 13 79.814 . . . . . . . B 16 U C4' . 34422 1 1143 . 2 . 2 16 16 U C5 C 13 102.377 . . . . . . . B 16 U C5 . 34422 1 1144 . 2 . 2 16 16 U C5' C 13 61.339 . . . . . . . B 16 U C5' . 34422 1 1145 . 2 . 2 17 17 U H1' H 1 6.119 . . . . . . . B 17 U H1' . 34422 1 1146 . 2 . 2 17 17 U H2' H 1 4.043 . . . . . . . B 17 U H2' . 34422 1 1147 . 2 . 2 17 17 U H3' H 1 4.675 . . . . . . . B 17 U H3' . 34422 1 1148 . 2 . 2 17 17 U H4' H 1 4.507 . . . . . . . B 17 U H4' . 34422 1 1149 . 2 . 2 17 17 U H5 H 1 5.888 . . . . . . . B 17 U H5 . 34422 1 1150 . 2 . 2 17 17 U H5' H 1 4.263 . . . . . . . B 17 U H5' . 34422 1 1151 . 2 . 2 17 17 U H5'' H 1 4.061 . . . . . . . B 17 U H5" . 34422 1 1152 . 2 . 2 17 17 U H6 H 1 8.054 . . . . . . . B 17 U H6 . 34422 1 1153 . 2 . 2 17 17 U C1' C 13 86.642 . . . . . . . B 17 U C1' . 34422 1 1154 . 2 . 2 17 17 U C2' C 13 75.123 . . . . . . . B 17 U C2' . 34422 1 1155 . 2 . 2 17 17 U C3' C 13 71.946 . . . . . . . B 17 U C3' . 34422 1 1156 . 2 . 2 17 17 U C4' C 13 84.352 . . . . . . . B 17 U C4' . 34422 1 1157 . 2 . 2 17 17 U C5 C 13 102.855 . . . . . . . B 17 U C5 . 34422 1 1158 . 2 . 2 17 17 U C5' C 13 65.197 . . . . . . . B 17 U C5' . 34422 1 1159 . 2 . 2 18 18 C H1' H 1 5.967 . . . . . . . B 18 C H1' . 34422 1 1160 . 2 . 2 18 18 C H2' H 1 4.114 . . . . . . . B 18 C H2' . 34422 1 1161 . 2 . 2 18 18 C H3' H 1 4.511 . . . . . . . B 18 C H3' . 34422 1 1162 . 2 . 2 18 18 C H4' H 1 3.819 . . . . . . . B 18 C H4' . 34422 1 1163 . 2 . 2 18 18 C H5 H 1 6.154 . . . . . . . B 18 C H5 . 34422 1 1164 . 2 . 2 18 18 C H5' H 1 3.569 . . . . . . . B 18 C H5' . 34422 1 1165 . 2 . 2 18 18 C H5'' H 1 2.821 . . . . . . . B 18 C H5" . 34422 1 1166 . 2 . 2 18 18 C H6 H 1 7.695 . . . . . . . B 18 C H6 . 34422 1 1167 . 2 . 2 18 18 C C1' C 13 86.466 . . . . . . . B 18 C C1' . 34422 1 1168 . 2 . 2 18 18 C C2' C 13 74.950 . . . . . . . B 18 C C2' . 34422 1 1169 . 2 . 2 18 18 C C3' C 13 77.633 . . . . . . . B 18 C C3' . 34422 1 1170 . 2 . 2 18 18 C C4' C 13 81.819 . . . . . . . B 18 C C4' . 34422 1 1171 . 2 . 2 18 18 C C5 C 13 95.961 . . . . . . . B 18 C C5 . 34422 1 1172 . 2 . 2 18 18 C C5' C 13 64.759 . . . . . . . B 18 C C5' . 34422 1 1173 . 2 . 2 19 19 G H1' H 1 5.982 . . . . . . . B 19 G H1' . 34422 1 1174 . 2 . 2 19 19 G H2' H 1 4.866 . . . . . . . B 19 G H2' . 34422 1 1175 . 2 . 2 19 19 G H3' H 1 5.646 . . . . . . . B 19 G H3' . 34422 1 1176 . 2 . 2 19 19 G H4' H 1 4.434 . . . . . . . B 19 G H4' . 34422 1 1177 . 2 . 2 19 19 G H5' H 1 4.423 . . . . . . . B 19 G H5' . 34422 1 1178 . 2 . 2 19 19 G H5'' H 1 4.219 . . . . . . . B 19 G H5" . 34422 1 1179 . 2 . 2 19 19 G H8 H 1 7.883 . . . . . . . B 19 G H8 . 34422 1 1180 . 2 . 2 19 19 G C1' C 13 91.883 . . . . . . . B 19 G C1' . 34422 1 1181 . 2 . 2 19 19 G C2' C 13 74.677 . . . . . . . B 19 G C2' . 34422 1 1182 . 2 . 2 19 19 G C3' C 13 73.301 . . . . . . . B 19 G C3' . 34422 1 1183 . 2 . 2 19 19 G C4' C 13 80.550 . . . . . . . B 19 G C4' . 34422 1 1184 . 2 . 2 19 19 G C5' C 13 66.405 . . . . . . . B 19 G C5' . 34422 1 1185 . 2 . 2 20 20 G H1' H 1 4.485 . . . . . . . B 20 G H1' . 34422 1 1186 . 2 . 2 20 20 G H2' H 1 4.556 . . . . . . . B 20 G H2' . 34422 1 1187 . 2 . 2 20 20 G H3' H 1 4.356 . . . . . . . B 20 G H3' . 34422 1 1188 . 2 . 2 20 20 G H4' H 1 4.435 . . . . . . . B 20 G H4' . 34422 1 1189 . 2 . 2 20 20 G H5' H 1 4.544 . . . . . . . B 20 G H5' . 34422 1 1190 . 2 . 2 20 20 G H5'' H 1 4.315 . . . . . . . B 20 G H5" . 34422 1 1191 . 2 . 2 20 20 G H8 H 1 8.304 . . . . . . . B 20 G H8 . 34422 1 1192 . 2 . 2 20 20 G C1' C 13 90.455 . . . . . . . B 20 G C1' . 34422 1 1193 . 2 . 2 20 20 G C2' C 13 72.461 . . . . . . . B 20 G C2' . 34422 1 1194 . 2 . 2 20 20 G C3' C 13 71.993 . . . . . . . B 20 G C3' . 34422 1 1195 . 2 . 2 20 20 G C4' C 13 80.256 . . . . . . . B 20 G C4' . 34422 1 1196 . 2 . 2 20 20 G C5' C 13 67.098 . . . . . . . B 20 G C5' . 34422 1 1197 . 2 . 2 21 21 A H1' H 1 6.006 . . . . . . . B 21 A H1' . 34422 1 1198 . 2 . 2 21 21 A H2 H 1 7.513 . . . . . . . B 21 A H2 . 34422 1 1199 . 2 . 2 21 21 A H2' H 1 4.720 . . . . . . . B 21 A H2' . 34422 1 1200 . 2 . 2 21 21 A H3' H 1 4.679 . . . . . . . B 21 A H3' . 34422 1 1201 . 2 . 2 21 21 A H4' H 1 4.473 . . . . . . . B 21 A H4' . 34422 1 1202 . 2 . 2 21 21 A H5' H 1 4.547 . . . . . . . B 21 A H5' . 34422 1 1203 . 2 . 2 21 21 A H5'' H 1 4.106 . . . . . . . B 21 A H5" . 34422 1 1204 . 2 . 2 21 21 A H8 H 1 7.768 . . . . . . . B 21 A H8 . 34422 1 1205 . 2 . 2 21 21 A C1' C 13 90.332 . . . . . . . B 21 A C1' . 34422 1 1206 . 2 . 2 21 21 A C2' C 13 73.290 . . . . . . . B 21 A C2' . 34422 1 1207 . 2 . 2 21 21 A C3' C 13 69.873 . . . . . . . B 21 A C3' . 34422 1 1208 . 2 . 2 21 21 A C4' C 13 79.468 . . . . . . . B 21 A C4' . 34422 1 1209 . 2 . 2 21 21 A C5' C 13 61.714 . . . . . . . B 21 A C5' . 34422 1 1210 . 2 . 2 22 22 G H1' H 1 5.654 . . . . . . . B 22 G H1' . 34422 1 1211 . 2 . 2 22 22 G H2' H 1 4.590 . . . . . . . B 22 G H2' . 34422 1 1212 . 2 . 2 22 22 G H3' H 1 4.406 . . . . . . . B 22 G H3' . 34422 1 1213 . 2 . 2 22 22 G H4' H 1 4.489 . . . . . . . B 22 G H4' . 34422 1 1214 . 2 . 2 22 22 G H5' H 1 4.444 . . . . . . . B 22 G H5' . 34422 1 1215 . 2 . 2 22 22 G H5'' H 1 4.063 . . . . . . . B 22 G H5" . 34422 1 1216 . 2 . 2 22 22 G H8 H 1 7.079 . . . . . . . B 22 G H8 . 34422 1 1217 . 2 . 2 22 22 G C1' C 13 89.997 . . . . . . . B 22 G C1' . 34422 1 1218 . 2 . 2 22 22 G C2' C 13 72.934 . . . . . . . B 22 G C2' . 34422 1 1219 . 2 . 2 22 22 G C3' C 13 70.608 . . . . . . . B 22 G C3' . 34422 1 1220 . 2 . 2 22 22 G C4' C 13 79.439 . . . . . . . B 22 G C4' . 34422 1 1221 . 2 . 2 22 22 G C5' C 13 63.431 . . . . . . . B 22 G C5' . 34422 1 1222 . 2 . 2 23 23 G H1' H 1 5.752 . . . . . . . B 23 G H1' . 34422 1 1223 . 2 . 2 23 23 G H2' H 1 4.518 . . . . . . . B 23 G H2' . 34422 1 1224 . 2 . 2 23 23 G H3' H 1 4.443 . . . . . . . B 23 G H3' . 34422 1 1225 . 2 . 2 23 23 G H4' H 1 4.474 . . . . . . . B 23 G H4' . 34422 1 1226 . 2 . 2 23 23 G H5' H 1 4.483 . . . . . . . B 23 G H5' . 34422 1 1227 . 2 . 2 23 23 G H5'' H 1 4.068 . . . . . . . B 23 G H5" . 34422 1 1228 . 2 . 2 23 23 G H8 H 1 7.172 . . . . . . . B 23 G H8 . 34422 1 1229 . 2 . 2 23 23 G C1' C 13 90.431 . . . . . . . B 23 G C1' . 34422 1 1230 . 2 . 2 23 23 G C2' C 13 72.750 . . . . . . . B 23 G C2' . 34422 1 1231 . 2 . 2 23 23 G C3' C 13 70.336 . . . . . . . B 23 G C3' . 34422 1 1232 . 2 . 2 23 23 G C4' C 13 79.186 . . . . . . . B 23 G C4' . 34422 1 1233 . 2 . 2 23 23 G C5' C 13 62.877 . . . . . . . B 23 G C5' . 34422 1 1234 . 2 . 2 24 24 C H1' H 1 5.520 . . . . . . . B 24 C H1' . 34422 1 1235 . 2 . 2 24 24 C H2' H 1 4.594 . . . . . . . B 24 C H2' . 34422 1 1236 . 2 . 2 24 24 C H3' H 1 4.506 . . . . . . . B 24 C H3' . 34422 1 1237 . 2 . 2 24 24 C H4' H 1 4.456 . . . . . . . B 24 C H4' . 34422 1 1238 . 2 . 2 24 24 C H5 H 1 5.213 . . . . . . . B 24 C H5 . 34422 1 1239 . 2 . 2 24 24 C H5' H 1 4.563 . . . . . . . B 24 C H5' . 34422 1 1240 . 2 . 2 24 24 C H5'' H 1 4.101 . . . . . . . B 24 C H5" . 34422 1 1241 . 2 . 2 24 24 C H6 H 1 7.584 . . . . . . . B 24 C H6 . 34422 1 1242 . 2 . 2 24 24 C C1' C 13 91.226 . . . . . . . B 24 C C1' . 34422 1 1243 . 2 . 2 24 24 C C2' C 13 72.716 . . . . . . . B 24 C C2' . 34422 1 1244 . 2 . 2 24 24 C C3' C 13 69.761 . . . . . . . B 24 C C3' . 34422 1 1245 . 2 . 2 24 24 C C4' C 13 79.550 . . . . . . . B 24 C C4' . 34422 1 1246 . 2 . 2 24 24 C C5 C 13 94.808 . . . . . . . B 24 C C5 . 34422 1 1247 . 2 . 2 24 24 C C5' C 13 61.960 . . . . . . . B 24 C C5' . 34422 1 1248 . 2 . 2 25 25 A H1' H 1 5.967 . . . . . . . B 25 A H1' . 34422 1 1249 . 2 . 2 25 25 A H2 H 1 7.119 . . . . . . . B 25 A H2 . 34422 1 1250 . 2 . 2 25 25 A H2' H 1 4.790 . . . . . . . B 25 A H2' . 34422 1 1251 . 2 . 2 25 25 A H3' H 1 4.678 . . . . . . . B 25 A H3' . 34422 1 1252 . 2 . 2 25 25 A H4' H 1 4.514 . . . . . . . B 25 A H4' . 34422 1 1253 . 2 . 2 25 25 A H5' H 1 4.556 . . . . . . . B 25 A H5' . 34422 1 1254 . 2 . 2 25 25 A H5'' H 1 4.196 . . . . . . . B 25 A H5" . 34422 1 1255 . 2 . 2 25 25 A H8 H 1 7.984 . . . . . . . B 25 A H8 . 34422 1 1256 . 2 . 2 25 25 A C1' C 13 90.356 . . . . . . . B 25 A C1' . 34422 1 1257 . 2 . 2 25 25 A C2' C 13 73.132 . . . . . . . B 25 A C2' . 34422 1 1258 . 2 . 2 25 25 A C3' C 13 70.660 . . . . . . . B 25 A C3' . 34422 1 1259 . 2 . 2 25 25 A C4' C 13 79.496 . . . . . . . B 25 A C4' . 34422 1 1260 . 2 . 2 25 25 A C5' C 13 62.929 . . . . . . . B 25 A C5' . 34422 1 1261 . 2 . 2 26 26 G H1' H 1 5.599 . . . . . . . B 26 G H1' . 34422 1 1262 . 2 . 2 26 26 G H2' H 1 4.605 . . . . . . . B 26 G H2' . 34422 1 1263 . 2 . 2 26 26 G H3' H 1 4.310 . . . . . . . B 26 G H3' . 34422 1 1264 . 2 . 2 26 26 G H4' H 1 4.497 . . . . . . . B 26 G H4' . 34422 1 1265 . 2 . 2 26 26 G H5' H 1 4.498 . . . . . . . B 26 G H5' . 34422 1 1266 . 2 . 2 26 26 G H5'' H 1 4.101 . . . . . . . B 26 G H5" . 34422 1 1267 . 2 . 2 26 26 G H8 H 1 7.154 . . . . . . . B 26 G H8 . 34422 1 1268 . 2 . 2 26 26 G C1' C 13 90.335 . . . . . . . B 26 G C1' . 34422 1 1269 . 2 . 2 26 26 G C2' C 13 72.754 . . . . . . . B 26 G C2' . 34422 1 1270 . 2 . 2 26 26 G C3' C 13 70.298 . . . . . . . B 26 G C3' . 34422 1 1271 . 2 . 2 26 26 G C4' C 13 79.540 . . . . . . . B 26 G C4' . 34422 1 1272 . 2 . 2 26 26 G C5' C 13 63.098 . . . . . . . B 26 G C5' . 34422 1 1273 . 2 . 2 27 27 U H1' H 1 5.520 . . . . . . . B 27 U H1' . 34422 1 1274 . 2 . 2 27 27 U H2' H 1 4.210 . . . . . . . B 27 U H2' . 34422 1 1275 . 2 . 2 27 27 U H3' H 1 4.556 . . . . . . . B 27 U H3' . 34422 1 1276 . 2 . 2 27 27 U H4' H 1 4.456 . . . . . . . B 27 U H4' . 34422 1 1277 . 2 . 2 27 27 U H5 H 1 5.391 . . . . . . . B 27 U H5 . 34422 1 1278 . 2 . 2 27 27 U H5' H 1 4.523 . . . . . . . B 27 U H5' . 34422 1 1279 . 2 . 2 27 27 U H5'' H 1 4.096 . . . . . . . B 27 U H5" . 34422 1 1280 . 2 . 2 27 27 U H6 H 1 7.704 . . . . . . . B 27 U H6 . 34422 1 1281 . 2 . 2 27 27 U C1' C 13 91.208 . . . . . . . B 27 U C1' . 34422 1 1282 . 2 . 2 27 27 U C2' C 13 73.192 . . . . . . . B 27 U C2' . 34422 1 1283 . 2 . 2 27 27 U C3' C 13 69.881 . . . . . . . B 27 U C3' . 34422 1 1284 . 2 . 2 27 27 U C4' C 13 79.500 . . . . . . . B 27 U C4' . 34422 1 1285 . 2 . 2 27 27 U C5 C 13 101.505 . . . . . . . B 27 U C5 . 34422 1 1286 . 2 . 2 27 27 U C5' C 13 61.561 . . . . . . . B 27 U C5' . 34422 1 1287 . 2 . 2 28 28 U H1' H 1 5.702 . . . . . . . B 28 U H1' . 34422 1 1288 . 2 . 2 28 28 U H2' H 1 4.544 . . . . . . . B 28 U H2' . 34422 1 1289 . 2 . 2 28 28 U H3' H 1 4.561 . . . . . . . B 28 U H3' . 34422 1 1290 . 2 . 2 28 28 U H4' H 1 4.461 . . . . . . . B 28 U H4' . 34422 1 1291 . 2 . 2 28 28 U H5 H 1 5.612 . . . . . . . B 28 U H5 . 34422 1 1292 . 2 . 2 28 28 U H5' H 1 4.579 . . . . . . . B 28 U H5' . 34422 1 1293 . 2 . 2 28 28 U H5'' H 1 4.164 . . . . . . . B 28 U H5" . 34422 1 1294 . 2 . 2 28 28 U H6 H 1 8.037 . . . . . . . B 28 U H6 . 34422 1 1295 . 2 . 2 28 28 U C1' C 13 90.838 . . . . . . . B 28 U C1' . 34422 1 1296 . 2 . 2 28 28 U C2' C 13 72.647 . . . . . . . B 28 U C2' . 34422 1 1297 . 2 . 2 28 28 U C3' C 13 70.308 . . . . . . . B 28 U C3' . 34422 1 1298 . 2 . 2 28 28 U C4' C 13 79.591 . . . . . . . B 28 U C4' . 34422 1 1299 . 2 . 2 28 28 U C5 C 13 100.900 . . . . . . . B 28 U C5 . 34422 1 1300 . 2 . 2 28 28 U C5' C 13 62.526 . . . . . . . B 28 U C5' . 34422 1 1301 . 2 . 2 29 29 U H1' H 1 5.649 . . . . . . . B 29 U H1' . 34422 1 1302 . 2 . 2 29 29 U H2' H 1 4.528 . . . . . . . B 29 U H2' . 34422 1 1303 . 2 . 2 29 29 U H3' H 1 4.512 . . . . . . . B 29 U H3' . 34422 1 1304 . 2 . 2 29 29 U H4' H 1 4.515 . . . . . . . B 29 U H4' . 34422 1 1305 . 2 . 2 29 29 U H5 H 1 5.623 . . . . . . . B 29 U H5 . 34422 1 1306 . 2 . 2 29 29 U H5' H 1 4.554 . . . . . . . B 29 U H5' . 34422 1 1307 . 2 . 2 29 29 U H5'' H 1 4.193 . . . . . . . B 29 U H5" . 34422 1 1308 . 2 . 2 29 29 U H6 H 1 7.996 . . . . . . . B 29 U H6 . 34422 1 1309 . 2 . 2 29 29 U C1' C 13 91.232 . . . . . . . B 29 U C1' . 34422 1 1310 . 2 . 2 29 29 U C2' C 13 72.723 . . . . . . . B 29 U C2' . 34422 1 1311 . 2 . 2 29 29 U C3' C 13 70.284 . . . . . . . B 29 U C3' . 34422 1 1312 . 2 . 2 29 29 U C4' C 13 79.569 . . . . . . . B 29 U C4' . 34422 1 1313 . 2 . 2 29 29 U C5 C 13 100.790 . . . . . . . B 29 U C5 . 34422 1 1314 . 2 . 2 29 29 U C5' C 13 62.800 . . . . . . . B 29 U C5' . 34422 1 1315 . 2 . 2 30 30 C H1' H 1 5.531 . . . . . . . B 30 C H1' . 34422 1 1316 . 2 . 2 30 30 C H2' H 1 4.318 . . . . . . . B 30 C H2' . 34422 1 1317 . 2 . 2 30 30 C H3' H 1 4.483 . . . . . . . B 30 C H3' . 34422 1 1318 . 2 . 2 30 30 C H4' H 1 4.497 . . . . . . . B 30 C H4' . 34422 1 1319 . 2 . 2 30 30 C H5 H 1 5.675 . . . . . . . B 30 C H5 . 34422 1 1320 . 2 . 2 30 30 C H5' H 1 4.577 . . . . . . . B 30 C H5' . 34422 1 1321 . 2 . 2 30 30 C H5'' H 1 4.140 . . . . . . . B 30 C H5" . 34422 1 1322 . 2 . 2 30 30 C H6 H 1 7.873 . . . . . . . B 30 C H6 . 34422 1 1323 . 2 . 2 30 30 C C1' C 13 91.526 . . . . . . . B 30 C C1' . 34422 1 1324 . 2 . 2 30 30 C C2' C 13 72.928 . . . . . . . B 30 C C2' . 34422 1 1325 . 2 . 2 30 30 C C3' C 13 69.881 . . . . . . . B 30 C C3' . 34422 1 1326 . 2 . 2 30 30 C C4' C 13 79.800 . . . . . . . B 30 C C4' . 34422 1 1327 . 2 . 2 30 30 C C5 C 13 94.849 . . . . . . . B 30 C C5 . 34422 1 1328 . 2 . 2 30 30 C C5' C 13 62.130 . . . . . . . B 30 C C5' . 34422 1 1329 . 2 . 2 31 31 U H1' H 1 5.489 . . . . . . . B 31 U H1' . 34422 1 1330 . 2 . 2 31 31 U H2' H 1 4.612 . . . . . . . B 31 U H2' . 34422 1 1331 . 2 . 2 31 31 U H3' H 1 4.624 . . . . . . . B 31 U H3' . 34422 1 1332 . 2 . 2 31 31 U H4' H 1 4.469 . . . . . . . B 31 U H4' . 34422 1 1333 . 2 . 2 31 31 U H5 H 1 5.375 . . . . . . . B 31 U H5 . 34422 1 1334 . 2 . 2 31 31 U H5' H 1 4.572 . . . . . . . B 31 U H5' . 34422 1 1335 . 2 . 2 31 31 U H5'' H 1 4.131 . . . . . . . B 31 U H5" . 34422 1 1336 . 2 . 2 31 31 U H6 H 1 7.838 . . . . . . . B 31 U H6 . 34422 1 1337 . 2 . 2 31 31 U C1' C 13 90.909 . . . . . . . B 31 U C1' . 34422 1 1338 . 2 . 2 31 31 U C2' C 13 72.541 . . . . . . . B 31 U C2' . 34422 1 1339 . 2 . 2 31 31 U C3' C 13 69.950 . . . . . . . B 31 U C3' . 34422 1 1340 . 2 . 2 31 31 U C4' C 13 79.700 . . . . . . . B 31 U C4' . 34422 1 1341 . 2 . 2 31 31 U C5 C 13 100.973 . . . . . . . B 31 U C5 . 34422 1 1342 . 2 . 2 31 31 U C5' C 13 61.856 . . . . . . . B 31 U C5' . 34422 1 1343 . 2 . 2 32 32 G H1' H 1 5.803 . . . . . . . B 32 G H1' . 34422 1 1344 . 2 . 2 32 32 G H2' H 1 4.519 . . . . . . . B 32 G H2' . 34422 1 1345 . 2 . 2 32 32 G H3' H 1 4.617 . . . . . . . B 32 G H3' . 34422 1 1346 . 2 . 2 32 32 G H4' H 1 4.513 . . . . . . . B 32 G H4' . 34422 1 1347 . 2 . 2 32 32 G H5' H 1 4.559 . . . . . . . B 32 G H5' . 34422 1 1348 . 2 . 2 32 32 G H5'' H 1 4.175 . . . . . . . B 32 G H5" . 34422 1 1349 . 2 . 2 32 32 G H8 H 1 7.779 . . . . . . . B 32 G H8 . 34422 1 1350 . 2 . 2 32 32 G C1' C 13 90.237 . . . . . . . B 32 G C1' . 34422 1 1351 . 2 . 2 32 32 G C2' C 13 72.704 . . . . . . . B 32 G C2' . 34422 1 1352 . 2 . 2 32 32 G C3' C 13 70.237 . . . . . . . B 32 G C3' . 34422 1 1353 . 2 . 2 32 32 G C4' C 13 79.465 . . . . . . . B 32 G C4' . 34422 1 1354 . 2 . 2 32 32 G C5' C 13 62.749 . . . . . . . B 32 G C5' . 34422 1 1355 . 2 . 2 33 33 C H1' H 1 5.503 . . . . . . . B 33 C H1' . 34422 1 1356 . 2 . 2 33 33 C H2' H 1 4.248 . . . . . . . B 33 C H2' . 34422 1 1357 . 2 . 2 33 33 C H3' H 1 4.471 . . . . . . . B 33 C H3' . 34422 1 1358 . 2 . 2 33 33 C H4' H 1 4.444 . . . . . . . B 33 C H4' . 34422 1 1359 . 2 . 2 33 33 C H5 H 1 5.222 . . . . . . . B 33 C H5 . 34422 1 1360 . 2 . 2 33 33 C H5' H 1 4.585 . . . . . . . B 33 C H5' . 34422 1 1361 . 2 . 2 33 33 C H5'' H 1 4.093 . . . . . . . B 33 C H5" . 34422 1 1362 . 2 . 2 33 33 C H6 H 1 7.690 . . . . . . . B 33 C H6 . 34422 1 1363 . 2 . 2 33 33 C C1' C 13 91.039 . . . . . . . B 33 C C1' . 34422 1 1364 . 2 . 2 33 33 C C2' C 13 72.973 . . . . . . . B 33 C C2' . 34422 1 1365 . 2 . 2 33 33 C C3' C 13 69.600 . . . . . . . B 33 C C3' . 34422 1 1366 . 2 . 2 33 33 C C4' C 13 79.800 . . . . . . . B 33 C C4' . 34422 1 1367 . 2 . 2 33 33 C C5 C 13 94.295 . . . . . . . B 33 C C5 . 34422 1 1368 . 2 . 2 33 33 C C5' C 13 61.683 . . . . . . . B 33 C C5' . 34422 1 1369 . 2 . 2 34 34 C H1' H 1 5.794 . . . . . . . B 34 C H1' . 34422 1 1370 . 2 . 2 34 34 C H2' H 1 4.032 . . . . . . . B 34 C H2' . 34422 1 1371 . 2 . 2 34 34 C H3' H 1 4.204 . . . . . . . B 34 C H3' . 34422 1 1372 . 2 . 2 34 34 C H4' H 1 4.194 . . . . . . . B 34 C H4' . 34422 1 1373 . 2 . 2 34 34 C H5 H 1 5.532 . . . . . . . B 34 C H5 . 34422 1 1374 . 2 . 2 34 34 C H5' H 1 4.489 . . . . . . . B 34 C H5' . 34422 1 1375 . 2 . 2 34 34 C H5'' H 1 4.054 . . . . . . . B 34 C H5" . 34422 1 1376 . 2 . 2 34 34 C H6 H 1 7.686 . . . . . . . B 34 C H6 . 34422 1 1377 . 2 . 2 34 34 C C1' C 13 90.265 . . . . . . . B 34 C C1' . 34422 1 1378 . 2 . 2 34 34 C C2' C 13 74.973 . . . . . . . B 34 C C2' . 34422 1 1379 . 2 . 2 34 34 C C3' C 13 67.167 . . . . . . . B 34 C C3' . 34422 1 1380 . 2 . 2 34 34 C C4' C 13 80.882 . . . . . . . B 34 C C4' . 34422 1 1381 . 2 . 2 34 34 C C5 C 13 95.585 . . . . . . . B 34 C C5 . 34422 1 1382 . 2 . 2 34 34 C C5' C 13 62.558 . . . . . . . B 34 C C5' . 34422 1 stop_ save_