data_17589 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17589 _Entry.Title ; Backbone Resonance Assignments for Prp24-RRM3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-12 _Entry.Accession_date 2011-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Resonances assignments for RRM3: residues 208-291 of Prp24' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Stephen Martin-Tumasz . A. . 17589 2 Samuel Butcher . E. . 17589 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17589 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Prp24 . 17589 RRM . 17589 Splicing . 17589 'U6 snRNP' . 17589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 17589 '15N chemical shifts' 84 17589 '1H chemical shifts' 84 17589 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 . . 2012-03-08 2011-04-12 update BMRB 'update entry citation' 17589 1 . . 2011-06-22 2011-04-12 original author 'original release' 17589 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16230 'Prp24-2 + RNA' 17589 BMRB 16243 Prp24-23 17589 BMRB 16244 'Prp24-23 + RNA' 17589 BMRB 16246 Prp24-2 17589 BMRB 17490 Prp24-L4W 17589 BMRB 17491 Prp24-L4C 17589 BMRB 7070 Prp24-12 17589 PDB 2ghp Prp24-123 17589 PDB 2go9 Prp24-12 17589 PDB 2kh9 'Prp24-2 + RNA' 17589 PDB 2l9w Prp24-L4W 17589 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17589 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21653550 _Citation.Full_citation . _Citation.Title 'A novel occluded RNA recognition motif in Prp24 unwinds the U6 RNA internal stem loop.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 39 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7837 _Citation.Page_last 7847 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stephen Martin-Tumasz . . . 17589 1 2 Ashley Richie . C. . 17589 1 3 Lawrence Clos . J. 2nd 17589 1 4 David Brow . A. . 17589 1 5 Samuel Butcher . E. . 17589 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17589 _Assembly.ID 1 _Assembly.Name Prp24-RRM3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM3 1 $RRM3 A . yes native no no . . . 17589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM3 _Entity.Sf_category entity _Entity.Sf_framecode RRM3 _Entity.Entry_ID 17589 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM3 _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 ; MEGREIMIRNLSTELLDENL LRESFEGFGSIEKINIPAGQ KEHSFNNCCAFMVFENKDSA ERALQMNRSLLGNREISVSL ADKKPLWHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Residues 208-291 of Prp24, plus non-natural N-terminal Methionine, C-terminal Tryptophan and 6x his tag' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16243 . Prp24-RRM23 . . . . . 100.00 186 97.85 98.92 2.85e-58 . . . . 17589 1 2 no BMRB 16244 . Prp24-RRM23 . . . . . 100.00 186 97.85 98.92 2.85e-58 . . . . 17589 1 3 no PDB 4N0T . "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" . . . . . 92.47 374 97.67 98.84 3.32e-50 . . . . 17589 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 207 MET . 17589 1 2 208 GLU . 17589 1 3 209 GLY . 17589 1 4 210 ARG . 17589 1 5 211 GLU . 17589 1 6 212 ILE . 17589 1 7 213 MET . 17589 1 8 214 ILE . 17589 1 9 215 ARG . 17589 1 10 216 ASN . 17589 1 11 217 LEU . 17589 1 12 218 SER . 17589 1 13 219 THR . 17589 1 14 220 GLU . 17589 1 15 221 LEU . 17589 1 16 222 LEU . 17589 1 17 223 ASP . 17589 1 18 224 GLU . 17589 1 19 225 ASN . 17589 1 20 226 LEU . 17589 1 21 227 LEU . 17589 1 22 228 ARG . 17589 1 23 229 GLU . 17589 1 24 230 SER . 17589 1 25 231 PHE . 17589 1 26 232 GLU . 17589 1 27 233 GLY . 17589 1 28 234 PHE . 17589 1 29 235 GLY . 17589 1 30 236 SER . 17589 1 31 237 ILE . 17589 1 32 238 GLU . 17589 1 33 239 LYS . 17589 1 34 240 ILE . 17589 1 35 241 ASN . 17589 1 36 242 ILE . 17589 1 37 243 PRO . 17589 1 38 244 ALA . 17589 1 39 245 GLY . 17589 1 40 246 GLN . 17589 1 41 247 LYS . 17589 1 42 248 GLU . 17589 1 43 249 HIS . 17589 1 44 250 SER . 17589 1 45 251 PHE . 17589 1 46 252 ASN . 17589 1 47 253 ASN . 17589 1 48 254 CYS . 17589 1 49 255 CYS . 17589 1 50 256 ALA . 17589 1 51 257 PHE . 17589 1 52 258 MET . 17589 1 53 259 VAL . 17589 1 54 260 PHE . 17589 1 55 261 GLU . 17589 1 56 262 ASN . 17589 1 57 263 LYS . 17589 1 58 264 ASP . 17589 1 59 265 SER . 17589 1 60 266 ALA . 17589 1 61 267 GLU . 17589 1 62 268 ARG . 17589 1 63 269 ALA . 17589 1 64 270 LEU . 17589 1 65 271 GLN . 17589 1 66 272 MET . 17589 1 67 273 ASN . 17589 1 68 274 ARG . 17589 1 69 275 SER . 17589 1 70 276 LEU . 17589 1 71 277 LEU . 17589 1 72 278 GLY . 17589 1 73 279 ASN . 17589 1 74 280 ARG . 17589 1 75 281 GLU . 17589 1 76 282 ILE . 17589 1 77 283 SER . 17589 1 78 284 VAL . 17589 1 79 285 SER . 17589 1 80 286 LEU . 17589 1 81 287 ALA . 17589 1 82 288 ASP . 17589 1 83 289 LYS . 17589 1 84 290 LYS . 17589 1 85 291 PRO . 17589 1 86 292 LEU . 17589 1 87 293 TRP . 17589 1 88 294 HIS . 17589 1 89 295 HIS . 17589 1 90 296 HIS . 17589 1 91 297 HIS . 17589 1 92 298 HIS . 17589 1 93 299 HIS . 17589 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17589 1 . GLU 2 2 17589 1 . GLY 3 3 17589 1 . ARG 4 4 17589 1 . GLU 5 5 17589 1 . ILE 6 6 17589 1 . MET 7 7 17589 1 . ILE 8 8 17589 1 . ARG 9 9 17589 1 . ASN 10 10 17589 1 . LEU 11 11 17589 1 . SER 12 12 17589 1 . THR 13 13 17589 1 . GLU 14 14 17589 1 . LEU 15 15 17589 1 . LEU 16 16 17589 1 . ASP 17 17 17589 1 . GLU 18 18 17589 1 . ASN 19 19 17589 1 . LEU 20 20 17589 1 . LEU 21 21 17589 1 . ARG 22 22 17589 1 . GLU 23 23 17589 1 . SER 24 24 17589 1 . PHE 25 25 17589 1 . GLU 26 26 17589 1 . GLY 27 27 17589 1 . PHE 28 28 17589 1 . GLY 29 29 17589 1 . SER 30 30 17589 1 . ILE 31 31 17589 1 . GLU 32 32 17589 1 . LYS 33 33 17589 1 . ILE 34 34 17589 1 . ASN 35 35 17589 1 . ILE 36 36 17589 1 . PRO 37 37 17589 1 . ALA 38 38 17589 1 . GLY 39 39 17589 1 . GLN 40 40 17589 1 . LYS 41 41 17589 1 . GLU 42 42 17589 1 . HIS 43 43 17589 1 . SER 44 44 17589 1 . PHE 45 45 17589 1 . ASN 46 46 17589 1 . ASN 47 47 17589 1 . CYS 48 48 17589 1 . CYS 49 49 17589 1 . ALA 50 50 17589 1 . PHE 51 51 17589 1 . MET 52 52 17589 1 . VAL 53 53 17589 1 . PHE 54 54 17589 1 . GLU 55 55 17589 1 . ASN 56 56 17589 1 . LYS 57 57 17589 1 . ASP 58 58 17589 1 . SER 59 59 17589 1 . ALA 60 60 17589 1 . GLU 61 61 17589 1 . ARG 62 62 17589 1 . ALA 63 63 17589 1 . LEU 64 64 17589 1 . GLN 65 65 17589 1 . MET 66 66 17589 1 . ASN 67 67 17589 1 . ARG 68 68 17589 1 . SER 69 69 17589 1 . LEU 70 70 17589 1 . LEU 71 71 17589 1 . GLY 72 72 17589 1 . ASN 73 73 17589 1 . ARG 74 74 17589 1 . GLU 75 75 17589 1 . ILE 76 76 17589 1 . SER 77 77 17589 1 . VAL 78 78 17589 1 . SER 79 79 17589 1 . LEU 80 80 17589 1 . ALA 81 81 17589 1 . ASP 82 82 17589 1 . LYS 83 83 17589 1 . LYS 84 84 17589 1 . PRO 85 85 17589 1 . LEU 86 86 17589 1 . TRP 87 87 17589 1 . HIS 88 88 17589 1 . HIS 89 89 17589 1 . HIS 90 90 17589 1 . HIS 91 91 17589 1 . HIS 92 92 17589 1 . HIS 93 93 17589 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17589 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RRM3 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Prp24 . . . . 17589 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 17589 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RRM3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET-21b . . . . . . 17589 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_H2O _Sample.Entry_ID 17589 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM3 '[U-99% 13C; U-99% 15N]' . . 1 $RRM3 . . 600 . . uM . . . . 17589 1 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17589 1 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17589 1 4 DTT 'natural abundance' . . . . . . 0.9 . . mM . . . . 17589 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17589 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17589 1 stop_ save_ save_Reference _Sample.Sf_category sample _Sample.Sf_framecode Reference _Sample.Entry_ID 17589 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM3 '[U-99% 13C; U-99% 15N]' . . 1 $RRM3 . . 600 . . uM . . . . 17589 2 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17589 2 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17589 2 4 DSS 'natural abundance' . . . . . . 1 . . uM . . . . 17589 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17589 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17589 2 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 17589 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 17589 1 pressure 1 . atm 17589 1 temperature 273 . K 17589 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17589 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17589 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17589 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17589 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17589 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17589 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17589 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17589 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17589 3 'data analysis' 17589 3 'peak picking' 17589 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17589 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17589 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17589 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17589 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 900 . . . 17589 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 17589 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17589 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17589 1 3 '3D HNCACB' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17589 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17589 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $Reference isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17589 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17589 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17589 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17589 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17589 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17589 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Estimate from standard deviation' _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' . . . 17589 1 2 '3D CBCA(CO)NH' . . . 17589 1 3 '3D HNCACB' . . . 17589 1 4 '3D HNCO' . . . 17589 1 5 '2D 1H-13C HSQC aliphatic' . . . 17589 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.592 0.4 . 1 . . . . 207 MET C . 17589 1 2 . 1 1 1 1 MET CA C 13 61.41 0.4 . 1 . . . . 207 MET CA . 17589 1 3 . 1 1 1 1 MET CB C 13 38.706 0.4 . 1 . . . . 207 MET CB . 17589 1 4 . 1 1 2 2 GLU H H 1 8.395 0.03 . 1 . . . . 208 GLU HN . 17589 1 5 . 1 1 2 2 GLU C C 13 176.435 0.4 . 1 . . . . 208 GLU C . 17589 1 6 . 1 1 2 2 GLU CA C 13 56.728 0.4 . 1 . . . . 208 GLU CA . 17589 1 7 . 1 1 2 2 GLU CB C 13 30.42 0.4 . 1 . . . . 208 GLU CB . 17589 1 8 . 1 1 2 2 GLU N N 15 124.302 0.4 . 1 . . . . 208 GLU N . 17589 1 9 . 1 1 3 3 GLY H H 1 8.62 0.03 . 1 . . . . 209 GLY HN . 17589 1 10 . 1 1 3 3 GLY C C 13 173.234 0.4 . 1 . . . . 209 GLY C . 17589 1 11 . 1 1 3 3 GLY CA C 13 46.239 0.4 . 1 . . . . 209 GLY CA . 17589 1 12 . 1 1 3 3 GLY N N 15 109.309 0.4 . 1 . . . . 209 GLY N . 17589 1 13 . 1 1 4 4 ARG H H 1 8.07 0.03 . 1 . . . . 210 ARG HN . 17589 1 14 . 1 1 4 4 ARG C C 13 173.454 0.4 . 1 . . . . 210 ARG C . 17589 1 15 . 1 1 4 4 ARG CA C 13 55.362 0.4 . 1 . . . . 210 ARG CA . 17589 1 16 . 1 1 4 4 ARG CB C 13 30.796 0.4 . 1 . . . . 210 ARG CB . 17589 1 17 . 1 1 4 4 ARG N N 15 114.114 0.4 . 1 . . . . 210 ARG N . 17589 1 18 . 1 1 5 5 GLU H H 1 7.852 0.03 . 1 . . . . 211 GLU HN . 17589 1 19 . 1 1 5 5 GLU C C 13 176.401 0.4 . 1 . . . . 211 GLU C . 17589 1 20 . 1 1 5 5 GLU CA C 13 53.939 0.4 . 1 . . . . 211 GLU CA . 17589 1 21 . 1 1 5 5 GLU CB C 13 33.308 0.4 . 1 . . . . 211 GLU CB . 17589 1 22 . 1 1 5 5 GLU N N 15 121.394 0.4 . 1 . . . . 211 GLU N . 17589 1 23 . 1 1 6 6 ILE H H 1 9.381 0.03 . 1 . . . . 212 ILE HN . 17589 1 24 . 1 1 6 6 ILE C C 13 173.569 0.4 . 1 . . . . 212 ILE C . 17589 1 25 . 1 1 6 6 ILE CA C 13 59.187 0.4 . 1 . . . . 212 ILE CA . 17589 1 26 . 1 1 6 6 ILE CB C 13 40.643 0.4 . 1 . . . . 212 ILE CB . 17589 1 27 . 1 1 6 6 ILE N N 15 120.162 0.4 . 1 . . . . 212 ILE N . 17589 1 28 . 1 1 7 7 MET H H 1 9.32 0.03 . 1 . . . . 213 MET HN . 17589 1 29 . 1 1 7 7 MET C C 13 173.927 0.4 . 1 . . . . 213 MET C . 17589 1 30 . 1 1 7 7 MET CA C 13 54.312 0.4 . 1 . . . . 213 MET CA . 17589 1 31 . 1 1 7 7 MET CB C 13 35.704 0.4 . 1 . . . . 213 MET CB . 17589 1 32 . 1 1 7 7 MET N N 15 121.945 0.4 . 1 . . . . 213 MET N . 17589 1 33 . 1 1 8 8 ILE H H 1 8.993 0.03 . 1 . . . . 214 ILE HN . 17589 1 34 . 1 1 8 8 ILE C C 13 174.779 0.4 . 1 . . . . 214 ILE C . 17589 1 35 . 1 1 8 8 ILE CA C 13 59.822 0.4 . 1 . . . . 214 ILE CA . 17589 1 36 . 1 1 8 8 ILE CB C 13 40.317 0.4 . 1 . . . . 214 ILE CB . 17589 1 37 . 1 1 8 8 ILE N N 15 129.057 0.4 . 1 . . . . 214 ILE N . 17589 1 38 . 1 1 9 9 ARG H H 1 9.229 0.03 . 1 . . . . 215 ARG HN . 17589 1 39 . 1 1 9 9 ARG C C 13 175.602 0.4 . 1 . . . . 215 ARG C . 17589 1 40 . 1 1 9 9 ARG CA C 13 54.603 0.4 . 1 . . . . 215 ARG CA . 17589 1 41 . 1 1 9 9 ARG CB C 13 34.328 0.4 . 1 . . . . 215 ARG CB . 17589 1 42 . 1 1 9 9 ARG N N 15 123.255 0.4 . 1 . . . . 215 ARG N . 17589 1 43 . 1 1 10 10 ASN H H 1 8.274 0.03 . 1 . . . . 216 ASN HN . 17589 1 44 . 1 1 10 10 ASN C C 13 175.972 0.4 . 1 . . . . 216 ASN C . 17589 1 45 . 1 1 10 10 ASN CA C 13 54.455 0.4 . 1 . . . . 216 ASN CA . 17589 1 46 . 1 1 10 10 ASN CB C 13 38.338 0.4 . 1 . . . . 216 ASN CB . 17589 1 47 . 1 1 10 10 ASN N N 15 114.285 0.4 . 1 . . . . 216 ASN N . 17589 1 48 . 1 1 11 11 LEU H H 1 7.986 0.03 . 1 . . . . 217 LEU HN . 17589 1 49 . 1 1 11 11 LEU C C 13 176.918 0.4 . 1 . . . . 217 LEU C . 17589 1 50 . 1 1 11 11 LEU CA C 13 54.676 0.4 . 1 . . . . 217 LEU CA . 17589 1 51 . 1 1 11 11 LEU CB C 13 42.178 0.4 . 1 . . . . 217 LEU CB . 17589 1 52 . 1 1 11 11 LEU N N 15 115.318 0.4 . 1 . . . . 217 LEU N . 17589 1 53 . 1 1 12 12 SER H H 1 6.515 0.03 . 1 . . . . 218 SER HN . 17589 1 54 . 1 1 12 12 SER C C 13 176.167 0.4 . 1 . . . . 218 SER C . 17589 1 55 . 1 1 12 12 SER CA C 13 55.772 0.4 . 1 . . . . 218 SER CA . 17589 1 56 . 1 1 12 12 SER CB C 13 65.52 0.4 . 1 . . . . 218 SER CB . 17589 1 57 . 1 1 12 12 SER N N 15 114.376 0.4 . 1 . . . . 218 SER N . 17589 1 58 . 1 1 13 13 THR H H 1 8.933 0.03 . 1 . . . . 219 THR HN . 17589 1 59 . 1 1 13 13 THR C C 13 177.527 0.4 . 1 . . . . 219 THR C . 17589 1 60 . 1 1 13 13 THR CA C 13 66.036 0.4 . 1 . . . . 219 THR CA . 17589 1 61 . 1 1 13 13 THR CB C 13 68.255 0.4 . 1 . . . . 219 THR CB . 17589 1 62 . 1 1 13 13 THR N N 15 112.77 0.4 . 1 . . . . 219 THR N . 17589 1 63 . 1 1 14 14 GLU H H 1 8.357 0.03 . 1 . . . . 220 GLU HN . 17589 1 64 . 1 1 14 14 GLU C C 13 177.132 0.4 . 1 . . . . 220 GLU C . 17589 1 65 . 1 1 14 14 GLU CA C 13 58.683 0.4 . 1 . . . . 220 GLU CA . 17589 1 66 . 1 1 14 14 GLU CB C 13 28.944 0.4 . 1 . . . . 220 GLU CB . 17589 1 67 . 1 1 14 14 GLU N N 15 119.65 0.4 . 1 . . . . 220 GLU N . 17589 1 68 . 1 1 15 15 LEU H H 1 7.251 0.03 . 1 . . . . 221 LEU HN . 17589 1 69 . 1 1 15 15 LEU C C 13 175.546 0.4 . 1 . . . . 221 LEU C . 17589 1 70 . 1 1 15 15 LEU CA C 13 54.077 0.4 . 1 . . . . 221 LEU CA . 17589 1 71 . 1 1 15 15 LEU CB C 13 43.31 0.4 . 1 . . . . 221 LEU CB . 17589 1 72 . 1 1 15 15 LEU N N 15 118.192 0.4 . 1 . . . . 221 LEU N . 17589 1 73 . 1 1 16 16 LEU H H 1 6.95 0.03 . 1 . . . . 222 LEU HN . 17589 1 74 . 1 1 16 16 LEU C C 13 174.815 0.4 . 1 . . . . 222 LEU C . 17589 1 75 . 1 1 16 16 LEU CA C 13 52.673 0.4 . 1 . . . . 222 LEU CA . 17589 1 76 . 1 1 16 16 LEU CB C 13 39.323 0.4 . 1 . . . . 222 LEU CB . 17589 1 77 . 1 1 16 16 LEU N N 15 118.43 0.4 . 1 . . . . 222 LEU N . 17589 1 78 . 1 1 17 17 ASP H H 1 7.818 0.03 . 1 . . . . 223 ASP HN . 17589 1 79 . 1 1 17 17 ASP C C 13 175.603 0.4 . 1 . . . . 223 ASP C . 17589 1 80 . 1 1 17 17 ASP CA C 13 53.014 0.4 . 1 . . . . 223 ASP CA . 17589 1 81 . 1 1 17 17 ASP CB C 13 43.969 0.4 . 1 . . . . 223 ASP CB . 17589 1 82 . 1 1 17 17 ASP N N 15 124.757 0.4 . 1 . . . . 223 ASP N . 17589 1 83 . 1 1 18 18 GLU H H 1 9.443 0.03 . 1 . . . . 224 GLU HN . 17589 1 84 . 1 1 18 18 GLU C C 13 177.261 0.4 . 1 . . . . 224 GLU C . 17589 1 85 . 1 1 18 18 GLU CA C 13 61.06 0.4 . 1 . . . . 224 GLU CA . 17589 1 86 . 1 1 18 18 GLU CB C 13 29.681 0.4 . 1 . . . . 224 GLU CB . 17589 1 87 . 1 1 18 18 GLU N N 15 126.626 0.4 . 1 . . . . 224 GLU N . 17589 1 88 . 1 1 19 19 ASN H H 1 8.247 0.03 . 1 . . . . 225 ASN HN . 17589 1 89 . 1 1 19 19 ASN C C 13 177.271 0.4 . 1 . . . . 225 ASN C . 17589 1 90 . 1 1 19 19 ASN CA C 13 56.521 0.4 . 1 . . . . 225 ASN CA . 17589 1 91 . 1 1 19 19 ASN CB C 13 38.09 0.4 . 1 . . . . 225 ASN CB . 17589 1 92 . 1 1 19 19 ASN N N 15 116.856 0.4 . 1 . . . . 225 ASN N . 17589 1 93 . 1 1 20 20 LEU H H 1 7.923 0.03 . 1 . . . . 226 LEU HN . 17589 1 94 . 1 1 20 20 LEU C C 13 180.836 0.4 . 1 . . . . 226 LEU C . 17589 1 95 . 1 1 20 20 LEU CA C 13 58.028 0.4 . 1 . . . . 226 LEU CA . 17589 1 96 . 1 1 20 20 LEU CB C 13 42.077 0.4 . 1 . . . . 226 LEU CB . 17589 1 97 . 1 1 20 20 LEU N N 15 122.791 0.4 . 1 . . . . 226 LEU N . 17589 1 98 . 1 1 21 21 LEU H H 1 8.316 0.03 . 1 . . . . 227 LEU HN . 17589 1 99 . 1 1 21 21 LEU C C 13 178.723 0.4 . 1 . . . . 227 LEU C . 17589 1 100 . 1 1 21 21 LEU CA C 13 58.262 0.4 . 1 . . . . 227 LEU CA . 17589 1 101 . 1 1 21 21 LEU CB C 13 41.423 0.4 . 1 . . . . 227 LEU CB . 17589 1 102 . 1 1 21 21 LEU N N 15 119.93 0.4 . 1 . . . . 227 LEU N . 17589 1 103 . 1 1 22 22 ARG H H 1 8.507 0.03 . 1 . . . . 228 ARG HN . 17589 1 104 . 1 1 22 22 ARG C C 13 178.092 0.4 . 1 . . . . 228 ARG C . 17589 1 105 . 1 1 22 22 ARG CA C 13 61.013 0.4 . 1 . . . . 228 ARG CA . 17589 1 106 . 1 1 22 22 ARG CB C 13 29.879 0.4 . 1 . . . . 228 ARG CB . 17589 1 107 . 1 1 22 22 ARG N N 15 119.992 0.4 . 1 . . . . 228 ARG N . 17589 1 108 . 1 1 23 23 GLU H H 1 8.243 0.03 . 1 . . . . 229 GLU HN . 17589 1 109 . 1 1 23 23 GLU C C 13 179.313 0.4 . 1 . . . . 229 GLU C . 17589 1 110 . 1 1 23 23 GLU CA C 13 59.353 0.4 . 1 . . . . 229 GLU CA . 17589 1 111 . 1 1 23 23 GLU CB C 13 29.502 0.4 . 1 . . . . 229 GLU CB . 17589 1 112 . 1 1 23 23 GLU N N 15 117.068 0.4 . 1 . . . . 229 GLU N . 17589 1 113 . 1 1 24 24 SER H H 1 7.82 0.03 . 1 . . . . 230 SER HN . 17589 1 114 . 1 1 24 24 SER C C 13 174.465 0.4 . 1 . . . . 230 SER C . 17589 1 115 . 1 1 24 24 SER CA C 13 61.698 0.4 . 1 . . . . 230 SER CA . 17589 1 116 . 1 1 24 24 SER CB C 13 63.82 0.4 . 1 . . . . 230 SER CB . 17589 1 117 . 1 1 24 24 SER N N 15 111.917 0.4 . 1 . . . . 230 SER N . 17589 1 118 . 1 1 25 25 PHE H H 1 7.832 0.03 . 1 . . . . 231 PHE HN . 17589 1 119 . 1 1 25 25 PHE C C 13 176.924 0.4 . 1 . . . . 231 PHE C . 17589 1 120 . 1 1 25 25 PHE CA C 13 59.585 0.4 . 1 . . . . 231 PHE CA . 17589 1 121 . 1 1 25 25 PHE CB C 13 42.415 0.4 . 1 . . . . 231 PHE CB . 17589 1 122 . 1 1 25 25 PHE N N 15 116.592 0.4 . 1 . . . . 231 PHE N . 17589 1 123 . 1 1 26 26 GLU H H 1 8.758 0.03 . 1 . . . . 232 GLU HN . 17589 1 124 . 1 1 26 26 GLU C C 13 177.731 0.4 . 1 . . . . 232 GLU C . 17589 1 125 . 1 1 26 26 GLU CA C 13 58.685 0.4 . 1 . . . . 232 GLU CA . 17589 1 126 . 1 1 26 26 GLU CB C 13 28.216 0.4 . 1 . . . . 232 GLU CB . 17589 1 127 . 1 1 26 26 GLU N N 15 120.607 0.4 . 1 . . . . 232 GLU N . 17589 1 128 . 1 1 27 27 GLY H H 1 8.579 0.03 . 1 . . . . 233 GLY HN . 17589 1 129 . 1 1 27 27 GLY C C 13 175.752 0.4 . 1 . . . . 233 GLY C . 17589 1 130 . 1 1 27 27 GLY CA C 13 45.774 0.4 . 1 . . . . 233 GLY CA . 17589 1 131 . 1 1 27 27 GLY N N 15 108.837 0.4 . 1 . . . . 233 GLY N . 17589 1 132 . 1 1 28 28 PHE H H 1 7.749 0.03 . 1 . . . . 234 PHE HN . 17589 1 133 . 1 1 28 28 PHE C C 13 175.328 0.4 . 1 . . . . 234 PHE C . 17589 1 134 . 1 1 28 28 PHE CA C 13 59.746 0.4 . 1 . . . . 234 PHE CA . 17589 1 135 . 1 1 28 28 PHE CB C 13 38.479 0.4 . 1 . . . . 234 PHE CB . 17589 1 136 . 1 1 28 28 PHE N N 15 117.169 0.4 . 1 . . . . 234 PHE N . 17589 1 137 . 1 1 29 29 GLY H H 1 7.566 0.03 . 1 . . . . 235 GLY HN . 17589 1 138 . 1 1 29 29 GLY C C 13 171.09 0.4 . 1 . . . . 235 GLY C . 17589 1 139 . 1 1 29 29 GLY CA C 13 44.071 0.4 . 1 . . . . 235 GLY CA . 17589 1 140 . 1 1 29 29 GLY N N 15 106.702 0.4 . 1 . . . . 235 GLY N . 17589 1 141 . 1 1 30 30 SER H H 1 8.195 0.03 . 1 . . . . 236 SER HN . 17589 1 142 . 1 1 30 30 SER C C 13 175.69 0.4 . 1 . . . . 236 SER C . 17589 1 143 . 1 1 30 30 SER CA C 13 59.59 0.4 . 1 . . . . 236 SER CA . 17589 1 144 . 1 1 30 30 SER CB C 13 63.32 0.4 . 1 . . . . 236 SER CB . 17589 1 145 . 1 1 30 30 SER N N 15 110.822 0.4 . 1 . . . . 236 SER N . 17589 1 146 . 1 1 31 31 ILE H H 1 9.064 0.03 . 1 . . . . 237 ILE HN . 17589 1 147 . 1 1 31 31 ILE C C 13 175.86 0.4 . 1 . . . . 237 ILE C . 17589 1 148 . 1 1 31 31 ILE CA C 13 61.992 0.4 . 1 . . . . 237 ILE CA . 17589 1 149 . 1 1 31 31 ILE CB C 13 40.383 0.4 . 1 . . . . 237 ILE CB . 17589 1 150 . 1 1 31 31 ILE N N 15 129.56 0.4 . 1 . . . . 237 ILE N . 17589 1 151 . 1 1 32 32 GLU H H 1 9.199 0.03 . 1 . . . . 238 GLU HN . 17589 1 152 . 1 1 32 32 GLU C C 13 176.379 0.4 . 1 . . . . 238 GLU C . 17589 1 153 . 1 1 32 32 GLU CA C 13 57.848 0.4 . 1 . . . . 238 GLU CA . 17589 1 154 . 1 1 32 32 GLU CB C 13 31.798 0.4 . 1 . . . . 238 GLU CB . 17589 1 155 . 1 1 32 32 GLU N N 15 129.737 0.4 . 1 . . . . 238 GLU N . 17589 1 156 . 1 1 33 33 LYS H H 1 7.547 0.03 . 1 . . . . 239 LYS HN . 17589 1 157 . 1 1 33 33 LYS C C 13 173.335 0.4 . 1 . . . . 239 LYS C . 17589 1 158 . 1 1 33 33 LYS CA C 13 55.623 0.4 . 1 . . . . 239 LYS CA . 17589 1 159 . 1 1 33 33 LYS CB C 13 36.52 0.4 . 1 . . . . 239 LYS CB . 17589 1 160 . 1 1 33 33 LYS N N 15 116.025 0.4 . 1 . . . . 239 LYS N . 17589 1 161 . 1 1 34 34 ILE H H 1 8.616 0.03 . 1 . . . . 240 ILE HN . 17589 1 162 . 1 1 34 34 ILE C C 13 173.86 0.4 . 1 . . . . 240 ILE C . 17589 1 163 . 1 1 34 34 ILE CA C 13 61.079 0.4 . 1 . . . . 240 ILE CA . 17589 1 164 . 1 1 34 34 ILE CB C 13 39.821 0.4 . 1 . . . . 240 ILE CB . 17589 1 165 . 1 1 34 34 ILE N N 15 124.123 0.4 . 1 . . . . 240 ILE N . 17589 1 166 . 1 1 35 35 ASN H H 1 9.135 0.03 . 1 . . . . 241 ASN HN . 17589 1 167 . 1 1 35 35 ASN C C 13 173.54 0.4 . 1 . . . . 241 ASN C . 17589 1 168 . 1 1 35 35 ASN CA C 13 51.823 0.4 . 1 . . . . 241 ASN CA . 17589 1 169 . 1 1 35 35 ASN CB C 13 41.473 0.4 . 1 . . . . 241 ASN CB . 17589 1 170 . 1 1 35 35 ASN N N 15 126.155 0.4 . 1 . . . . 241 ASN N . 17589 1 171 . 1 1 36 36 ILE H H 1 8.96 0.03 . 1 . . . . 242 ILE HN . 17589 1 172 . 1 1 36 36 ILE CA C 13 58.6 0.4 . 1 . . . . 242 ILE CA . 17589 1 173 . 1 1 36 36 ILE CB C 13 38.95 0.4 . 1 . . . . 242 ILE CB . 17589 1 174 . 1 1 36 36 ILE N N 15 126.819 0.4 . 1 . . . . 242 ILE N . 17589 1 175 . 1 1 37 37 PRO C C 13 176.537 0.4 . 1 . . . . 243 PRO C . 17589 1 176 . 1 1 37 37 PRO CA C 13 63.721 0.4 . 1 . . . . 243 PRO CA . 17589 1 177 . 1 1 37 37 PRO CB C 13 32.236 0.4 . 1 . . . . 243 PRO CB . 17589 1 178 . 1 1 38 38 ALA H H 1 8.642 0.03 . 1 . . . . 244 ALA HN . 17589 1 179 . 1 1 38 38 ALA C C 13 178.563 0.4 . 1 . . . . 244 ALA C . 17589 1 180 . 1 1 38 38 ALA CA C 13 52.639 0.4 . 1 . . . . 244 ALA CA . 17589 1 181 . 1 1 38 38 ALA CB C 13 19.79 0.4 . 1 . . . . 244 ALA CB . 17589 1 182 . 1 1 38 38 ALA N N 15 126.838 0.4 . 1 . . . . 244 ALA N . 17589 1 183 . 1 1 39 39 GLY H H 1 8.651 0.03 . 1 . . . . 245 GLY HN . 17589 1 184 . 1 1 39 39 GLY C C 13 175.437 0.4 . 1 . . . . 245 GLY C . 17589 1 185 . 1 1 39 39 GLY CA C 13 46.334 0.4 . 1 . . . . 245 GLY CA . 17589 1 186 . 1 1 39 39 GLY N N 15 108.026 0.4 . 1 . . . . 245 GLY N . 17589 1 187 . 1 1 40 40 GLN H H 1 8.137 0.03 . 1 . . . . 246 GLN HN . 17589 1 188 . 1 1 40 40 GLN C C 13 177.366 0.4 . 1 . . . . 246 GLN C . 17589 1 189 . 1 1 40 40 GLN CA C 13 58.192 0.4 . 1 . . . . 246 GLN CA . 17589 1 190 . 1 1 40 40 GLN CB C 13 31.441 0.4 . 1 . . . . 246 GLN CB . 17589 1 191 . 1 1 40 40 GLN N N 15 118.533 0.4 . 1 . . . . 246 GLN N . 17589 1 192 . 1 1 41 41 LYS H H 1 8.259 0.03 . 1 . . . . 247 LYS HN . 17589 1 193 . 1 1 41 41 LYS C C 13 178.687 0.4 . 1 . . . . 247 LYS C . 17589 1 194 . 1 1 41 41 LYS CA C 13 58.804 0.4 . 1 . . . . 247 LYS CA . 17589 1 195 . 1 1 41 41 LYS CB C 13 32.181 0.4 . 1 . . . . 247 LYS CB . 17589 1 196 . 1 1 41 41 LYS N N 15 118.019 0.4 . 1 . . . . 247 LYS N . 17589 1 197 . 1 1 42 42 GLU H H 1 8.853 0.03 . 1 . . . . 248 GLU HN . 17589 1 198 . 1 1 42 42 GLU C C 13 177.142 0.4 . 1 . . . . 248 GLU C . 17589 1 199 . 1 1 42 42 GLU CA C 13 58.883 0.4 . 1 . . . . 248 GLU CA . 17589 1 200 . 1 1 42 42 GLU CB C 13 29.039 0.4 . 1 . . . . 248 GLU CB . 17589 1 201 . 1 1 42 42 GLU N N 15 119.129 0.4 . 1 . . . . 248 GLU N . 17589 1 202 . 1 1 43 43 HIS H H 1 7.333 0.03 . 1 . . . . 249 HIS HN . 17589 1 203 . 1 1 43 43 HIS C C 13 174.222 0.4 . 1 . . . . 249 HIS C . 17589 1 204 . 1 1 43 43 HIS CA C 13 55.659 0.4 . 1 . . . . 249 HIS CA . 17589 1 205 . 1 1 43 43 HIS CB C 13 29.841 0.4 . 1 . . . . 249 HIS CB . 17589 1 206 . 1 1 43 43 HIS N N 15 114.51 0.4 . 1 . . . . 249 HIS N . 17589 1 207 . 1 1 44 44 SER H H 1 8.015 0.03 . 1 . . . . 250 SER HN . 17589 1 208 . 1 1 44 44 SER C C 13 174.465 0.4 . 1 . . . . 250 SER C . 17589 1 209 . 1 1 44 44 SER CA C 13 58.569 0.4 . 1 . . . . 250 SER CA . 17589 1 210 . 1 1 44 44 SER CB C 13 62.438 0.4 . 1 . . . . 250 SER CB . 17589 1 211 . 1 1 44 44 SER N N 15 114.659 0.4 . 1 . . . . 250 SER N . 17589 1 212 . 1 1 45 45 PHE H H 1 7.829 0.03 . 1 . . . . 251 PHE HN . 17589 1 213 . 1 1 45 45 PHE C C 13 176.014 0.4 . 1 . . . . 251 PHE C . 17589 1 214 . 1 1 45 45 PHE CA C 13 57.504 0.4 . 1 . . . . 251 PHE CA . 17589 1 215 . 1 1 45 45 PHE CB C 13 38.542 0.4 . 1 . . . . 251 PHE CB . 17589 1 216 . 1 1 45 45 PHE N N 15 119.61 0.4 . 1 . . . . 251 PHE N . 17589 1 217 . 1 1 46 46 ASN H H 1 8.45 0.03 . 1 . . . . 252 ASN HN . 17589 1 218 . 1 1 46 46 ASN C C 13 174.388 0.4 . 1 . . . . 252 ASN C . 17589 1 219 . 1 1 46 46 ASN CA C 13 54.368 0.4 . 1 . . . . 252 ASN CA . 17589 1 220 . 1 1 46 46 ASN CB C 13 39.104 0.4 . 1 . . . . 252 ASN CB . 17589 1 221 . 1 1 46 46 ASN N N 15 118.149 0.4 . 1 . . . . 252 ASN N . 17589 1 222 . 1 1 47 47 ASN H H 1 8.007 0.03 . 1 . . . . 253 ASN HN . 17589 1 223 . 1 1 47 47 ASN C C 13 174.45 0.4 . 1 . . . . 253 ASN C . 17589 1 224 . 1 1 47 47 ASN CA C 13 52.895 0.4 . 1 . . . . 253 ASN CA . 17589 1 225 . 1 1 47 47 ASN CB C 13 38.858 0.4 . 1 . . . . 253 ASN CB . 17589 1 226 . 1 1 47 47 ASN N N 15 118.442 0.4 . 1 . . . . 253 ASN N . 17589 1 227 . 1 1 48 48 CYS H H 1 8.932 0.03 . 1 . . . . 254 CYS HN . 17589 1 228 . 1 1 48 48 CYS C C 13 173.388 0.4 . 1 . . . . 254 CYS C . 17589 1 229 . 1 1 48 48 CYS CA C 13 58.217 0.4 . 1 . . . . 254 CYS CA . 17589 1 230 . 1 1 48 48 CYS CB C 13 30.515 0.4 . 1 . . . . 254 CYS CB . 17589 1 231 . 1 1 48 48 CYS N N 15 121.21 0.4 . 1 . . . . 254 CYS N . 17589 1 232 . 1 1 49 49 CYS H H 1 9.636 0.03 . 1 . . . . 255 CYS HN . 17589 1 233 . 1 1 49 49 CYS C C 13 172.076 0.4 . 1 . . . . 255 CYS C . 17589 1 234 . 1 1 49 49 CYS CA C 13 55.001 0.4 . 1 . . . . 255 CYS CA . 17589 1 235 . 1 1 49 49 CYS CB C 13 32.617 0.4 . 1 . . . . 255 CYS CB . 17589 1 236 . 1 1 49 49 CYS N N 15 118.189 0.4 . 1 . . . . 255 CYS N . 17589 1 237 . 1 1 50 50 ALA H H 1 8.535 0.03 . 1 . . . . 256 ALA HN . 17589 1 238 . 1 1 50 50 ALA C C 13 173.563 0.4 . 1 . . . . 256 ALA C . 17589 1 239 . 1 1 50 50 ALA CA C 13 50.909 0.4 . 1 . . . . 256 ALA CA . 17589 1 240 . 1 1 50 50 ALA CB C 13 23.892 0.4 . 1 . . . . 256 ALA CB . 17589 1 241 . 1 1 50 50 ALA N N 15 119.717 0.4 . 1 . . . . 256 ALA N . 17589 1 242 . 1 1 51 51 PHE H H 1 8.816 0.03 . 1 . . . . 257 PHE HN . 17589 1 243 . 1 1 51 51 PHE C C 13 174.991 0.4 . 1 . . . . 257 PHE C . 17589 1 244 . 1 1 51 51 PHE CA C 13 56.346 0.4 . 1 . . . . 257 PHE CA . 17589 1 245 . 1 1 51 51 PHE CB C 13 42.183 0.4 . 1 . . . . 257 PHE CB . 17589 1 246 . 1 1 51 51 PHE N N 15 117.913 0.4 . 1 . . . . 257 PHE N . 17589 1 247 . 1 1 52 52 MET H H 1 8.769 0.03 . 1 . . . . 258 MET HN . 17589 1 248 . 1 1 52 52 MET C C 13 172.751 0.4 . 1 . . . . 258 MET C . 17589 1 249 . 1 1 52 52 MET CA C 13 54.614 0.4 . 1 . . . . 258 MET CA . 17589 1 250 . 1 1 52 52 MET CB C 13 36.534 0.4 . 1 . . . . 258 MET CB . 17589 1 251 . 1 1 52 52 MET N N 15 121.458 0.4 . 1 . . . . 258 MET N . 17589 1 252 . 1 1 53 53 VAL H H 1 8.914 0.03 . 1 . . . . 259 VAL HN . 17589 1 253 . 1 1 53 53 VAL C C 13 176.225 0.4 . 1 . . . . 259 VAL C . 17589 1 254 . 1 1 53 53 VAL CA C 13 61.218 0.4 . 1 . . . . 259 VAL CA . 17589 1 255 . 1 1 53 53 VAL CB C 13 33.456 0.4 . 1 . . . . 259 VAL CB . 17589 1 256 . 1 1 53 53 VAL N N 15 126.134 0.4 . 1 . . . . 259 VAL N . 17589 1 257 . 1 1 54 54 PHE H H 1 9.123 0.03 . 1 . . . . 260 PHE HN . 17589 1 258 . 1 1 54 54 PHE C C 13 175.331 0.4 . 1 . . . . 260 PHE C . 17589 1 259 . 1 1 54 54 PHE CA C 13 58.518 0.4 . 1 . . . . 260 PHE CA . 17589 1 260 . 1 1 54 54 PHE CB C 13 41.491 0.4 . 1 . . . . 260 PHE CB . 17589 1 261 . 1 1 54 54 PHE N N 15 126.835 0.4 . 1 . . . . 260 PHE N . 17589 1 262 . 1 1 55 55 GLU H H 1 8.353 0.03 . 1 . . . . 261 GLU HN . 17589 1 263 . 1 1 55 55 GLU C C 13 175.878 0.4 . 1 . . . . 261 GLU C . 17589 1 264 . 1 1 55 55 GLU CA C 13 59.548 0.4 . 1 . . . . 261 GLU CA . 17589 1 265 . 1 1 55 55 GLU CB C 13 30.206 0.4 . 1 . . . . 261 GLU CB . 17589 1 266 . 1 1 55 55 GLU N N 15 118.987 0.4 . 1 . . . . 261 GLU N . 17589 1 267 . 1 1 56 56 ASN H H 1 8.355 0.03 . 1 . . . . 262 ASN HN . 17589 1 268 . 1 1 56 56 ASN C C 13 175.103 0.4 . 1 . . . . 262 ASN C . 17589 1 269 . 1 1 56 56 ASN CA C 13 51.665 0.4 . 1 . . . . 262 ASN CA . 17589 1 270 . 1 1 56 56 ASN CB C 13 42.073 0.4 . 1 . . . . 262 ASN CB . 17589 1 271 . 1 1 56 56 ASN N N 15 112.616 0.4 . 1 . . . . 262 ASN N . 17589 1 272 . 1 1 57 57 LYS H H 1 8.953 0.03 . 1 . . . . 263 LYS HN . 17589 1 273 . 1 1 57 57 LYS C C 13 177.32 0.4 . 1 . . . . 263 LYS C . 17589 1 274 . 1 1 57 57 LYS CA C 13 59.153 0.4 . 1 . . . . 263 LYS CA . 17589 1 275 . 1 1 57 57 LYS CB C 13 32.359 0.4 . 1 . . . . 263 LYS CB . 17589 1 276 . 1 1 57 57 LYS N N 15 122.469 0.4 . 1 . . . . 263 LYS N . 17589 1 277 . 1 1 58 58 ASP H H 1 8.628 0.03 . 1 . . . . 264 ASP HN . 17589 1 278 . 1 1 58 58 ASP C C 13 178.865 0.4 . 1 . . . . 264 ASP C . 17589 1 279 . 1 1 58 58 ASP CA C 13 57.243 0.4 . 1 . . . . 264 ASP CA . 17589 1 280 . 1 1 58 58 ASP CB C 13 40.104 0.4 . 1 . . . . 264 ASP CB . 17589 1 281 . 1 1 58 58 ASP N N 15 120.085 0.4 . 1 . . . . 264 ASP N . 17589 1 282 . 1 1 59 59 SER H H 1 7.689 0.03 . 1 . . . . 265 SER HN . 17589 1 283 . 1 1 59 59 SER C C 13 173.91 0.4 . 1 . . . . 265 SER C . 17589 1 284 . 1 1 59 59 SER CA C 13 61.728 0.4 . 1 . . . . 265 SER CA . 17589 1 285 . 1 1 59 59 SER CB C 13 62.916 0.4 . 1 . . . . 265 SER CB . 17589 1 286 . 1 1 59 59 SER N N 15 116.162 0.4 . 1 . . . . 265 SER N . 17589 1 287 . 1 1 60 60 ALA H H 1 6.525 0.03 . 1 . . . . 266 ALA HN . 17589 1 288 . 1 1 60 60 ALA C C 13 177.305 0.4 . 1 . . . . 266 ALA C . 17589 1 289 . 1 1 60 60 ALA CA C 13 54.808 0.4 . 1 . . . . 266 ALA CA . 17589 1 290 . 1 1 60 60 ALA CB C 13 17.806 0.4 . 1 . . . . 266 ALA CB . 17589 1 291 . 1 1 60 60 ALA N N 15 121.922 0.4 . 1 . . . . 266 ALA N . 17589 1 292 . 1 1 61 61 GLU H H 1 7.617 0.03 . 1 . . . . 267 GLU HN . 17589 1 293 . 1 1 61 61 GLU C C 13 180.644 0.4 . 1 . . . . 267 GLU C . 17589 1 294 . 1 1 61 61 GLU CA C 13 59.107 0.4 . 1 . . . . 267 GLU CA . 17589 1 295 . 1 1 61 61 GLU CB C 13 29.223 0.4 . 1 . . . . 267 GLU CB . 17589 1 296 . 1 1 61 61 GLU N N 15 113.147 0.4 . 1 . . . . 267 GLU N . 17589 1 297 . 1 1 62 62 ARG H H 1 7.811 0.03 . 1 . . . . 268 ARG HN . 17589 1 298 . 1 1 62 62 ARG C C 13 178.045 0.4 . 1 . . . . 268 ARG C . 17589 1 299 . 1 1 62 62 ARG CA C 13 59.793 0.4 . 1 . . . . 268 ARG CA . 17589 1 300 . 1 1 62 62 ARG CB C 13 30.802 0.4 . 1 . . . . 268 ARG CB . 17589 1 301 . 1 1 62 62 ARG N N 15 119.934 0.4 . 1 . . . . 268 ARG N . 17589 1 302 . 1 1 63 63 ALA H H 1 7.527 0.03 . 1 . . . . 269 ALA HN . 17589 1 303 . 1 1 63 63 ALA C C 13 178.047 0.4 . 1 . . . . 269 ALA C . 17589 1 304 . 1 1 63 63 ALA CA C 13 53.363 0.4 . 1 . . . . 269 ALA CA . 17589 1 305 . 1 1 63 63 ALA CB C 13 18.842 0.4 . 1 . . . . 269 ALA CB . 17589 1 306 . 1 1 63 63 ALA N N 15 120.867 0.4 . 1 . . . . 269 ALA N . 17589 1 307 . 1 1 64 64 LEU H H 1 7.146 0.03 . 1 . . . . 270 LEU HN . 17589 1 308 . 1 1 64 64 LEU C C 13 179.879 0.4 . 1 . . . . 270 LEU C . 17589 1 309 . 1 1 64 64 LEU CA C 13 57.167 0.4 . 1 . . . . 270 LEU CA . 17589 1 310 . 1 1 64 64 LEU CB C 13 40.348 0.4 . 1 . . . . 270 LEU CB . 17589 1 311 . 1 1 64 64 LEU N N 15 115.44 0.4 . 1 . . . . 270 LEU N . 17589 1 312 . 1 1 65 65 GLN H H 1 7.856 0.03 . 1 . . . . 271 GLN HN . 17589 1 313 . 1 1 65 65 GLN C C 13 176.75 0.4 . 1 . . . . 271 GLN C . 17589 1 314 . 1 1 65 65 GLN CA C 13 57.771 0.4 . 1 . . . . 271 GLN CA . 17589 1 315 . 1 1 65 65 GLN CB C 13 29.057 0.4 . 1 . . . . 271 GLN CB . 17589 1 316 . 1 1 65 65 GLN N N 15 119.38 0.4 . 1 . . . . 271 GLN N . 17589 1 317 . 1 1 66 66 MET H H 1 7.722 0.03 . 1 . . . . 272 MET HN . 17589 1 318 . 1 1 66 66 MET C C 13 177.49 0.4 . 1 . . . . 272 MET C . 17589 1 319 . 1 1 66 66 MET CA C 13 54.505 0.4 . 1 . . . . 272 MET CA . 17589 1 320 . 1 1 66 66 MET CB C 13 32.372 0.4 . 1 . . . . 272 MET CB . 17589 1 321 . 1 1 66 66 MET N N 15 114.801 0.4 . 1 . . . . 272 MET N . 17589 1 322 . 1 1 67 67 ASN H H 1 7.936 0.03 . 1 . . . . 273 ASN HN . 17589 1 323 . 1 1 67 67 ASN C C 13 175.071 0.4 . 1 . . . . 273 ASN C . 17589 1 324 . 1 1 67 67 ASN CA C 13 56.575 0.4 . 1 . . . . 273 ASN CA . 17589 1 325 . 1 1 67 67 ASN CB C 13 38.944 0.4 . 1 . . . . 273 ASN CB . 17589 1 326 . 1 1 67 67 ASN N N 15 119.146 0.4 . 1 . . . . 273 ASN N . 17589 1 327 . 1 1 68 68 ARG H H 1 8.888 0.03 . 1 . . . . 274 ARG HN . 17589 1 328 . 1 1 68 68 ARG C C 13 174.593 0.4 . 1 . . . . 274 ARG C . 17589 1 329 . 1 1 68 68 ARG CA C 13 58.749 0.4 . 1 . . . . 274 ARG CA . 17589 1 330 . 1 1 68 68 ARG CB C 13 27.126 0.4 . 1 . . . . 274 ARG CB . 17589 1 331 . 1 1 68 68 ARG N N 15 121.254 0.4 . 1 . . . . 274 ARG N . 17589 1 332 . 1 1 69 69 SER H H 1 7.83 0.03 . 1 . . . . 275 SER HN . 17589 1 333 . 1 1 69 69 SER C C 13 172.01 0.4 . 1 . . . . 275 SER C . 17589 1 334 . 1 1 69 69 SER CA C 13 58.468 0.4 . 1 . . . . 275 SER CA . 17589 1 335 . 1 1 69 69 SER CB C 13 64.903 0.4 . 1 . . . . 275 SER CB . 17589 1 336 . 1 1 69 69 SER N N 15 114.979 0.4 . 1 . . . . 275 SER N . 17589 1 337 . 1 1 70 70 LEU H H 1 8.162 0.03 . 1 . . . . 276 LEU HN . 17589 1 338 . 1 1 70 70 LEU C C 13 177.349 0.4 . 1 . . . . 276 LEU C . 17589 1 339 . 1 1 70 70 LEU CA C 13 54.161 0.4 . 1 . . . . 276 LEU CA . 17589 1 340 . 1 1 70 70 LEU CB C 13 42.917 0.4 . 1 . . . . 276 LEU CB . 17589 1 341 . 1 1 70 70 LEU N N 15 120.191 0.4 . 1 . . . . 276 LEU N . 17589 1 342 . 1 1 71 71 LEU H H 1 9.068 0.03 . 1 . . . . 277 LEU HN . 17589 1 343 . 1 1 71 71 LEU C C 13 176.05 0.4 . 1 . . . . 277 LEU C . 17589 1 344 . 1 1 71 71 LEU CA C 13 54.46 0.4 . 1 . . . . 277 LEU CA . 17589 1 345 . 1 1 71 71 LEU CB C 13 44.57 0.4 . 1 . . . . 277 LEU CB . 17589 1 346 . 1 1 71 71 LEU N N 15 129.11 0.4 . 1 . . . . 277 LEU N . 17589 1 347 . 1 1 72 72 GLY H H 1 8.92 0.03 . 1 . . . . 278 GLY HN . 17589 1 348 . 1 1 72 72 GLY C C 13 174.651 0.4 . 1 . . . . 278 GLY C . 17589 1 349 . 1 1 72 72 GLY CA C 13 47.685 0.4 . 1 . . . . 278 GLY CA . 17589 1 350 . 1 1 72 72 GLY N N 15 114.619 0.4 . 1 . . . . 278 GLY N . 17589 1 351 . 1 1 73 73 ASN H H 1 8.369 0.03 . 1 . . . . 279 ASN HN . 17589 1 352 . 1 1 73 73 ASN C C 13 174.827 0.4 . 1 . . . . 279 ASN C . 17589 1 353 . 1 1 73 73 ASN CA C 13 52.89 0.4 . 1 . . . . 279 ASN CA . 17589 1 354 . 1 1 73 73 ASN CB C 13 38.288 0.4 . 1 . . . . 279 ASN CB . 17589 1 355 . 1 1 73 73 ASN N N 15 119.902 0.4 . 1 . . . . 279 ASN N . 17589 1 356 . 1 1 74 74 ARG H H 1 8.052 0.03 . 1 . . . . 280 ARG HN . 17589 1 357 . 1 1 74 74 ARG C C 13 174.083 0.4 . 1 . . . . 280 ARG C . 17589 1 358 . 1 1 74 74 ARG CA C 13 53.225 0.4 . 1 . . . . 280 ARG CA . 17589 1 359 . 1 1 74 74 ARG CB C 13 32.977 0.4 . 1 . . . . 280 ARG CB . 17589 1 360 . 1 1 74 74 ARG N N 15 119.607 0.4 . 1 . . . . 280 ARG N . 17589 1 361 . 1 1 75 75 GLU H H 1 8.397 0.03 . 1 . . . . 281 GLU HN . 17589 1 362 . 1 1 75 75 GLU C C 13 176.922 0.4 . 1 . . . . 281 GLU C . 17589 1 363 . 1 1 75 75 GLU CA C 13 55.314 0.4 . 1 . . . . 281 GLU CA . 17589 1 364 . 1 1 75 75 GLU CB C 13 29.719 0.4 . 1 . . . . 281 GLU CB . 17589 1 365 . 1 1 75 75 GLU N N 15 122.761 0.4 . 1 . . . . 281 GLU N . 17589 1 366 . 1 1 76 76 ILE H H 1 8.643 0.03 . 1 . . . . 282 ILE HN . 17589 1 367 . 1 1 76 76 ILE C C 13 175.334 0.4 . 1 . . . . 282 ILE C . 17589 1 368 . 1 1 76 76 ILE CA C 13 61.654 0.4 . 1 . . . . 282 ILE CA . 17589 1 369 . 1 1 76 76 ILE CB C 13 40.216 0.4 . 1 . . . . 282 ILE CB . 17589 1 370 . 1 1 76 76 ILE N N 15 123.035 0.4 . 1 . . . . 282 ILE N . 17589 1 371 . 1 1 77 77 SER H H 1 8.019 0.03 . 1 . . . . 283 SER HN . 17589 1 372 . 1 1 77 77 SER C C 13 174.237 0.4 . 1 . . . . 283 SER C . 17589 1 373 . 1 1 77 77 SER CA C 13 55.632 0.4 . 1 . . . . 283 SER CA . 17589 1 374 . 1 1 77 77 SER CB C 13 64.504 0.4 . 1 . . . . 283 SER CB . 17589 1 375 . 1 1 77 77 SER N N 15 115.843 0.4 . 1 . . . . 283 SER N . 17589 1 376 . 1 1 78 78 VAL H H 1 8.985 0.03 . 1 . . . . 284 VAL HN . 17589 1 377 . 1 1 78 78 VAL C C 13 173.639 0.4 . 1 . . . . 284 VAL C . 17589 1 378 . 1 1 78 78 VAL CA C 13 61.396 0.4 . 1 . . . . 284 VAL CA . 17589 1 379 . 1 1 78 78 VAL CB C 13 35.416 0.4 . 1 . . . . 284 VAL CB . 17589 1 380 . 1 1 78 78 VAL N N 15 126.497 0.4 . 1 . . . . 284 VAL N . 17589 1 381 . 1 1 79 79 SER H H 1 8.518 0.03 . 1 . . . . 285 SER HN . 17589 1 382 . 1 1 79 79 SER C C 13 173.187 0.4 . 1 . . . . 285 SER C . 17589 1 383 . 1 1 79 79 SER CA C 13 56.55 0.4 . 1 . . . . 285 SER CA . 17589 1 384 . 1 1 79 79 SER CB C 13 66.055 0.4 . 1 . . . . 285 SER CB . 17589 1 385 . 1 1 79 79 SER N N 15 119.079 0.4 . 1 . . . . 285 SER N . 17589 1 386 . 1 1 80 80 LEU H H 1 8.883 0.03 . 1 . . . . 286 LEU HN . 17589 1 387 . 1 1 80 80 LEU C C 13 177.813 0.4 . 1 . . . . 286 LEU C . 17589 1 388 . 1 1 80 80 LEU CA C 13 55.751 0.4 . 1 . . . . 286 LEU CA . 17589 1 389 . 1 1 80 80 LEU CB C 13 41.815 0.4 . 1 . . . . 286 LEU CB . 17589 1 390 . 1 1 80 80 LEU N N 15 122.287 0.4 . 1 . . . . 286 LEU N . 17589 1 391 . 1 1 81 81 ALA H H 1 8.471 0.03 . 1 . . . . 287 ALA HN . 17589 1 392 . 1 1 81 81 ALA C C 13 176.37 0.4 . 1 . . . . 287 ALA C . 17589 1 393 . 1 1 81 81 ALA CA C 13 52.525 0.4 . 1 . . . . 287 ALA CA . 17589 1 394 . 1 1 81 81 ALA CB C 13 19.146 0.4 . 1 . . . . 287 ALA CB . 17589 1 395 . 1 1 81 81 ALA N N 15 126.546 0.4 . 1 . . . . 287 ALA N . 17589 1 396 . 1 1 82 82 ASP H H 1 8.295 0.03 . 1 . . . . 288 ASP HN . 17589 1 397 . 1 1 82 82 ASP C C 13 175.891 0.4 . 1 . . . . 288 ASP C . 17589 1 398 . 1 1 82 82 ASP CA C 13 53.991 0.4 . 1 . . . . 288 ASP CA . 17589 1 399 . 1 1 82 82 ASP CB C 13 41.449 0.4 . 1 . . . . 288 ASP CB . 17589 1 400 . 1 1 82 82 ASP N N 15 120.2 0.4 . 1 . . . . 288 ASP N . 17589 1 401 . 1 1 83 83 LYS H H 1 8.161 0.03 . 1 . . . . 289 LYS HN . 17589 1 402 . 1 1 83 83 LYS C C 13 176.273 0.4 . 1 . . . . 289 LYS C . 17589 1 403 . 1 1 83 83 LYS CA C 13 55.988 0.4 . 1 . . . . 289 LYS CA . 17589 1 404 . 1 1 83 83 LYS CB C 13 32.605 0.4 . 1 . . . . 289 LYS CB . 17589 1 405 . 1 1 83 83 LYS N N 15 120.802 0.4 . 1 . . . . 289 LYS N . 17589 1 406 . 1 1 84 84 LYS H H 1 8.232 0.03 . 1 . . . . 290 LYS HN . 17589 1 407 . 1 1 84 84 LYS CA C 13 54.507 0.4 . 1 . . . . 290 LYS CA . 17589 1 408 . 1 1 84 84 LYS CB C 13 32.219 0.4 . 1 . . . . 290 LYS CB . 17589 1 409 . 1 1 84 84 LYS N N 15 123.37 0.4 . 1 . . . . 290 LYS N . 17589 1 410 . 1 1 85 85 PRO C C 13 176.753 0.4 . 1 . . . . 291 PRO C . 17589 1 411 . 1 1 85 85 PRO CA C 13 62.989 0.4 . 1 . . . . 291 PRO CA . 17589 1 412 . 1 1 85 85 PRO CB C 13 31.829 0.4 . 1 . . . . 291 PRO CB . 17589 1 413 . 1 1 86 86 LEU H H 1 8.204 0.03 . 1 . . . . 292 LEU HN . 17589 1 414 . 1 1 86 86 LEU C C 13 177.103 0.4 . 1 . . . . 292 LEU C . 17589 1 415 . 1 1 86 86 LEU CA C 13 55.338 0.4 . 1 . . . . 292 LEU CA . 17589 1 416 . 1 1 86 86 LEU CB C 13 42.128 0.4 . 1 . . . . 292 LEU CB . 17589 1 417 . 1 1 86 86 LEU N N 15 121.595 0.4 . 1 . . . . 292 LEU N . 17589 1 418 . 1 1 87 87 TRP H H 1 7.839 0.03 . 1 . . . . 293 TRP HN . 17589 1 419 . 1 1 87 87 TRP CA C 13 56.992 0.4 . 1 . . . . 293 TRP CA . 17589 1 420 . 1 1 87 87 TRP CB C 13 29.689 0.4 . 1 . . . . 293 TRP CB . 17589 1 421 . 1 1 87 87 TRP N N 15 120.196 0.4 . 1 . . . . 293 TRP N . 17589 1 stop_ save_