data_25276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25276 _Entry.Title ; Solution structure of eEF1Bdelta CAR domain in TCTP-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-09 _Entry.Accession_date 2014-10-09 _Entry.Last_release_date 2015-08-25 _Entry.Original_release_date 2015-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Huiwen Wu . . . 25276 2 Yingang Feng . . . 25276 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' . 25276 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GUANINE NUCLEOTIDE EXCHANGE FACTOR' . 25276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 159 25276 '15N chemical shifts' 44 25276 '1H chemical shifts' 250 25276 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 . . 2015-08-25 2014-10-09 update BMRB 'update entry citation' 25276 1 . . 2015-02-02 2014-10-09 original author 'original release' 25276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25275 'eEF1Bdelta CAR domain' 25276 PDB 2MVN 'BMRB Entry Tracking System' 25276 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25635048 _Citation.Full_citation . _Citation.Title ; Evolutionarily Conserved Binding of Translationally-Controlled Tumor Protein to Eukaryotic Elongation Factor 1B ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 14 _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 8694 _Citation.Page_last 8710 _Citation.Year 2015 _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 Huiwen Wu . . . 25276 1 2 Weibin Gong . . . 25276 1 3 Xingzhe Yao . . . 25276 1 4 Jinfeng Wang . . . 25276 1 5 Sarah Perrett . . . 25276 1 6 Yingang Feng . . . 25276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25276 _Assembly.ID 1 _Assembly.Name 'eEF1Bdelta CAR domain in TCTP-bound state' _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 entity 1 $entity A . yes native no no . . . 25276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPGSEDDDIDLFGSDNEEED KEAAQLREERLRQYAEKKAK KPAL ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5000.408 _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 25275 . entity . . . . . 100.00 44 100.00 100.00 2.39e-20 . . . . 25276 1 2 no PDB 2MVM . "Solution Structure Of Eef1bdelta Car Domain" . . . . . 100.00 44 100.00 100.00 2.39e-20 . . . . 25276 1 3 no PDB 2MVN . "Solution Structure Of Eef1bdelta Car Domain In Tctp-bound State" . . . . . 100.00 44 100.00 100.00 2.39e-20 . . . . 25276 1 4 no DBJ BAB14925 . "unnamed protein product [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 5.16e-11 . . . . 25276 1 5 no DBJ BAE01260 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.27 669 100.00 100.00 3.92e-11 . . . . 25276 1 6 no DBJ BAE02383 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.27 669 100.00 100.00 3.92e-11 . . . . 25276 1 7 no DBJ BAG36963 . "unnamed protein product [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 5.21e-11 . . . . 25276 1 8 no DBJ BAG56855 . "unnamed protein product [Homo sapiens]" . . . . . 77.27 262 100.00 100.00 5.11e-12 . . . . 25276 1 9 no EMBL CAA79716 . "human elongation factor-1-delta [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 10 no GB AAH00678 . "EEF1D protein, partial [Homo sapiens]" . . . . . 77.27 550 100.00 100.00 3.26e-11 . . . . 25276 1 11 no GB AAH07847 . "EEF1D protein [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 4.97e-11 . . . . 25276 1 12 no GB AAH09907 . "Eukaryotic translation elongation factor 1 delta (guanine nucleotide exchange protein) [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 13 no GB AAH12819 . "Eukaryotic translation elongation factor 1 delta (guanine nucleotide exchange protein) [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 14 no GB AAH62535 . "Eukaryotic translation elongation factor 1 delta (guanine nucleotide exchange protein) [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 15 no REF NP_001123525 . "elongation factor 1-delta isoform 1 [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 4.97e-11 . . . . 25276 1 16 no REF NP_001123527 . "elongation factor 1-delta isoform 2 [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 17 no REF NP_001123528 . "elongation factor 1-delta isoform 4 [Homo sapiens]" . . . . . 77.27 257 100.00 100.00 4.03e-12 . . . . 25276 1 18 no REF NP_001123529 . "elongation factor 1-delta isoform 2 [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 19 no REF NP_001182132 . "elongation factor 1-delta isoform 5 [Homo sapiens]" . . . . . 77.27 262 100.00 100.00 4.81e-12 . . . . 25276 1 20 no SP P29692 . "RecName: Full=Elongation factor 1-delta; Short=EF-1-delta; AltName: Full=Antigen NY-CO-4" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25276 1 21 no SP Q4R3D4 . "RecName: Full=Elongation factor 1-delta; Short=EF-1-delta" . . . . . 77.27 281 100.00 100.00 4.86e-12 . . . . 25276 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 1 149 GLY . 25276 1 2 150 PRO . 25276 1 3 151 GLY . 25276 1 4 152 SER . 25276 1 5 153 GLU . 25276 1 6 154 ASP . 25276 1 7 155 ASP . 25276 1 8 156 ASP . 25276 1 9 157 ILE . 25276 1 10 158 ASP . 25276 1 11 159 LEU . 25276 1 12 160 PHE . 25276 1 13 161 GLY . 25276 1 14 162 SER . 25276 1 15 163 ASP . 25276 1 16 164 ASN . 25276 1 17 165 GLU . 25276 1 18 166 GLU . 25276 1 19 167 GLU . 25276 1 20 168 ASP . 25276 1 21 169 LYS . 25276 1 22 170 GLU . 25276 1 23 171 ALA . 25276 1 24 172 ALA . 25276 1 25 173 GLN . 25276 1 26 174 LEU . 25276 1 27 175 ARG . 25276 1 28 176 GLU . 25276 1 29 177 GLU . 25276 1 30 178 ARG . 25276 1 31 179 LEU . 25276 1 32 180 ARG . 25276 1 33 181 GLN . 25276 1 34 182 TYR . 25276 1 35 183 ALA . 25276 1 36 184 GLU . 25276 1 37 185 LYS . 25276 1 38 186 LYS . 25276 1 39 187 ALA . 25276 1 40 188 LYS . 25276 1 41 189 LYS . 25276 1 42 190 PRO . 25276 1 43 191 ALA . 25276 1 44 192 LEU . 25276 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 25276 1 . PRO 2 2 25276 1 . GLY 3 3 25276 1 . SER 4 4 25276 1 . GLU 5 5 25276 1 . ASP 6 6 25276 1 . ASP 7 7 25276 1 . ASP 8 8 25276 1 . ILE 9 9 25276 1 . ASP 10 10 25276 1 . LEU 11 11 25276 1 . PHE 12 12 25276 1 . GLY 13 13 25276 1 . SER 14 14 25276 1 . ASP 15 15 25276 1 . ASN 16 16 25276 1 . GLU 17 17 25276 1 . GLU 18 18 25276 1 . GLU 19 19 25276 1 . ASP 20 20 25276 1 . LYS 21 21 25276 1 . GLU 22 22 25276 1 . ALA 23 23 25276 1 . ALA 24 24 25276 1 . GLN 25 25 25276 1 . LEU 26 26 25276 1 . ARG 27 27 25276 1 . GLU 28 28 25276 1 . GLU 29 29 25276 1 . ARG 30 30 25276 1 . LEU 31 31 25276 1 . ARG 32 32 25276 1 . GLN 33 33 25276 1 . TYR 34 34 25276 1 . ALA 35 35 25276 1 . GLU 36 36 25276 1 . LYS 37 37 25276 1 . LYS 38 38 25276 1 . ALA 39 39 25276 1 . LYS 40 40 25276 1 . LYS 41 41 25276 1 . PRO 42 42 25276 1 . ALA 43 43 25276 1 . LEU 44 44 25276 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 25276 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25276 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 25276 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 25276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25276 _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 entity '[U-13C; U-15N]' . . 1 $entity . . . 0.2 0.8 mM . . . . 25276 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25276 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25276 1 4 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 25276 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25276 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25276 1 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 25276 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 220 . mM 25276 1 pH 7.5 . pH 25276 1 pressure 1 . atm 25276 1 temperature 298 . K 25276 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 25276 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25276 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25276 _Software.ID 2 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25276 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25276 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25276 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25276 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25276 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25276 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25276 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25276 4 'data analysis' 25276 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25276 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25276 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25276 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25276 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25276 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25276 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25276 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 25276 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 25276 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 11 '3D CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25276 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 25276 _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 na indirect 0.251449530 . . . . . . . . . 25276 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25276 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25276 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 25276 _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 . _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' . . . 25276 1 2 '2D 1H-13C HSQC' . . . 25276 1 3 '3D CBCA(CO)NH' . . . 25276 1 4 '3D HNCACB' . . . 25276 1 5 '3D HNCO' . . . 25276 1 6 '3D HN(CA)CO' . . . 25276 1 7 '3D HBHA(CO)NH' . . . 25276 1 8 '3D HBHANH' . . . 25276 1 9 '3D HCCH-TOCSY' . . . 25276 1 10 '3D CCH-TOCSY' . . . 25276 1 11 '3D CCH-COSY' . . . 25276 1 12 '3D 1H-15N NOESY' . . . 25276 1 13 '3D 1H-13C NOESY' . . . 25276 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 2 2 PRO HA H 1 4.5060 0.02 . 1 . . . A 150 PRO HA . 25276 1 2 . 1 1 2 2 PRO HB2 H 1 2.0110 0.02 . 2 . . . A 150 PRO HB2 . 25276 1 3 . 1 1 2 2 PRO HB3 H 1 2.3300 0.02 . 2 . . . A 150 PRO HB3 . 25276 1 4 . 1 1 2 2 PRO CA C 13 63.4950 0.3 . 1 . . . A 150 PRO CA . 25276 1 5 . 1 1 2 2 PRO CB C 13 32.0850 0.3 . 1 . . . A 150 PRO CB . 25276 1 6 . 1 1 3 3 GLY H H 1 8.7400 0.02 . 1 . . . A 151 GLY H . 25276 1 7 . 1 1 3 3 GLY HA2 H 1 4.0400 0.02 . 2 . . . A 151 GLY HA2 . 25276 1 8 . 1 1 3 3 GLY HA3 H 1 4.0400 0.02 . 2 . . . A 151 GLY HA3 . 25276 1 9 . 1 1 3 3 GLY C C 13 174.3950 0.3 . 1 . . . A 151 GLY C . 25276 1 10 . 1 1 3 3 GLY CA C 13 45.2940 0.3 . 1 . . . A 151 GLY CA . 25276 1 11 . 1 1 3 3 GLY N N 15 110.9530 0.2 . 1 . . . A 151 GLY N . 25276 1 12 . 1 1 4 4 SER H H 1 8.2740 0.02 . 1 . . . A 152 SER H . 25276 1 13 . 1 1 4 4 SER HA H 1 4.5120 0.02 . 1 . . . A 152 SER HA . 25276 1 14 . 1 1 4 4 SER HB2 H 1 3.9080 0.02 . 2 . . . A 152 SER HB2 . 25276 1 15 . 1 1 4 4 SER HB3 H 1 3.9080 0.02 . 2 . . . A 152 SER HB3 . 25276 1 16 . 1 1 4 4 SER C C 13 175.1400 0.3 . 1 . . . A 152 SER C . 25276 1 17 . 1 1 4 4 SER CA C 13 58.5090 0.3 . 1 . . . A 152 SER CA . 25276 1 18 . 1 1 4 4 SER CB C 13 63.9640 0.3 . 1 . . . A 152 SER CB . 25276 1 19 . 1 1 4 4 SER N N 15 115.9170 0.2 . 1 . . . A 152 SER N . 25276 1 20 . 1 1 5 5 GLU H H 1 8.7330 0.02 . 1 . . . A 153 GLU H . 25276 1 21 . 1 1 5 5 GLU HA H 1 4.3100 0.02 . 1 . . . A 153 GLU HA . 25276 1 22 . 1 1 5 5 GLU HB2 H 1 2.1060 0.02 . 2 . . . A 153 GLU HB2 . 25276 1 23 . 1 1 5 5 GLU HB3 H 1 1.9410 0.02 . 2 . . . A 153 GLU HB3 . 25276 1 24 . 1 1 5 5 GLU HG2 H 1 2.2890 0.02 . 2 . . . A 153 GLU HG2 . 25276 1 25 . 1 1 5 5 GLU HG3 H 1 2.2890 0.02 . 2 . . . A 153 GLU HG3 . 25276 1 26 . 1 1 5 5 GLU C C 13 176.7800 0.3 . 1 . . . A 153 GLU C . 25276 1 27 . 1 1 5 5 GLU CA C 13 57.0430 0.3 . 1 . . . A 153 GLU CA . 25276 1 28 . 1 1 5 5 GLU CB C 13 29.7990 0.3 . 1 . . . A 153 GLU CB . 25276 1 29 . 1 1 5 5 GLU CG C 13 36.2060 0.3 . 1 . . . A 153 GLU CG . 25276 1 30 . 1 1 5 5 GLU N N 15 122.8190 0.2 . 1 . . . A 153 GLU N . 25276 1 31 . 1 1 6 6 ASP H H 1 8.2620 0.02 . 1 . . . A 154 ASP H . 25276 1 32 . 1 1 6 6 ASP C C 13 176.2000 0.3 . 1 . . . A 154 ASP C . 25276 1 33 . 1 1 6 6 ASP CA C 13 54.9140 0.3 . 1 . . . A 154 ASP CA . 25276 1 34 . 1 1 6 6 ASP N N 15 120.4400 0.2 . 1 . . . A 154 ASP N . 25276 1 35 . 1 1 7 7 ASP H H 1 8.4910 0.02 . 1 . . . A 155 ASP H . 25276 1 36 . 1 1 7 7 ASP HA H 1 4.6110 0.02 . 1 . . . A 155 ASP HA . 25276 1 37 . 1 1 7 7 ASP HB2 H 1 2.5930 0.02 . 2 . . . A 155 ASP HB2 . 25276 1 38 . 1 1 7 7 ASP HB3 H 1 2.5930 0.02 . 2 . . . A 155 ASP HB3 . 25276 1 39 . 1 1 7 7 ASP C C 13 175.2270 0.3 . 1 . . . A 155 ASP C . 25276 1 40 . 1 1 7 7 ASP CA C 13 54.2770 0.3 . 1 . . . A 155 ASP CA . 25276 1 41 . 1 1 7 7 ASP CB C 13 41.2370 0.3 . 1 . . . A 155 ASP CB . 25276 1 42 . 1 1 7 7 ASP N N 15 120.3360 0.2 . 1 . . . A 155 ASP N . 25276 1 43 . 1 1 8 8 ASP H H 1 7.9430 0.02 . 1 . . . A 156 ASP H . 25276 1 44 . 1 1 8 8 ASP HA H 1 4.6110 0.02 . 1 . . . A 156 ASP HA . 25276 1 45 . 1 1 8 8 ASP HB2 H 1 2.5890 0.02 . 2 . . . A 156 ASP HB2 . 25276 1 46 . 1 1 8 8 ASP HB3 H 1 2.5890 0.02 . 2 . . . A 156 ASP HB3 . 25276 1 47 . 1 1 8 8 ASP CA C 13 54.1710 0.3 . 1 . . . A 156 ASP CA . 25276 1 48 . 1 1 8 8 ASP CB C 13 41.2790 0.3 . 1 . . . A 156 ASP CB . 25276 1 49 . 1 1 8 8 ASP N N 15 119.9260 0.2 . 1 . . . A 156 ASP N . 25276 1 50 . 1 1 9 9 ILE H H 1 8.0330 0.02 . 1 . . . A 157 ILE H . 25276 1 51 . 1 1 9 9 ILE HA H 1 4.1720 0.02 . 1 . . . A 157 ILE HA . 25276 1 52 . 1 1 9 9 ILE HB H 1 1.7220 0.02 . 1 . . . A 157 ILE HB . 25276 1 53 . 1 1 9 9 ILE HG12 H 1 1.3730 0.02 . 1 . . . A 157 ILE HG12 . 25276 1 54 . 1 1 9 9 ILE HG13 H 1 0.9070 0.02 . 2 . . . A 157 ILE HG13 . 25276 1 55 . 1 1 9 9 ILE HG21 H 1 0.7900 0.02 . 1 . . . A 157 ILE HG21 . 25276 1 56 . 1 1 9 9 ILE HG22 H 1 0.7900 0.02 . 1 . . . A 157 ILE HG22 . 25276 1 57 . 1 1 9 9 ILE HG23 H 1 0.7900 0.02 . 1 . . . A 157 ILE HG23 . 25276 1 58 . 1 1 9 9 ILE HD11 H 1 0.7600 0.02 . 1 . . . A 157 ILE HD11 . 25276 1 59 . 1 1 9 9 ILE HD12 H 1 0.7600 0.02 . 1 . . . A 157 ILE HD12 . 25276 1 60 . 1 1 9 9 ILE HD13 H 1 0.7600 0.02 . 1 . . . A 157 ILE HD13 . 25276 1 61 . 1 1 9 9 ILE C C 13 173.3850 0.3 . 1 . . . A 157 ILE C . 25276 1 62 . 1 1 9 9 ILE CA C 13 60.7400 0.3 . 1 . . . A 157 ILE CA . 25276 1 63 . 1 1 9 9 ILE CB C 13 39.9970 0.3 . 1 . . . A 157 ILE CB . 25276 1 64 . 1 1 9 9 ILE CG1 C 13 27.5700 0.3 . 1 . . . A 157 ILE CG1 . 25276 1 65 . 1 1 9 9 ILE CG2 C 13 16.6750 0.3 . 1 . . . A 157 ILE CG2 . 25276 1 66 . 1 1 9 9 ILE CD1 C 13 14.4640 0.3 . 1 . . . A 157 ILE CD1 . 25276 1 67 . 1 1 9 9 ILE N N 15 119.8690 0.2 . 1 . . . A 157 ILE N . 25276 1 68 . 1 1 10 10 ASP H H 1 8.4270 0.02 . 1 . . . A 158 ASP H . 25276 1 69 . 1 1 10 10 ASP C C 13 176.4010 0.3 . 1 . . . A 158 ASP C . 25276 1 70 . 1 1 10 10 ASP CA C 13 52.5970 0.3 . 1 . . . A 158 ASP CA . 25276 1 71 . 1 1 10 10 ASP N N 15 125.5150 0.2 . 1 . . . A 158 ASP N . 25276 1 72 . 1 1 11 11 LEU H H 1 8.2210 0.02 . 1 . . . A 159 LEU H . 25276 1 73 . 1 1 11 11 LEU HA H 1 4.1910 0.02 . 1 . . . A 159 LEU HA . 25276 1 74 . 1 1 11 11 LEU HB2 H 1 1.5350 0.02 . 2 . . . A 159 LEU HB2 . 25276 1 75 . 1 1 11 11 LEU HB3 H 1 1.5350 0.02 . 2 . . . A 159 LEU HB3 . 25276 1 76 . 1 1 11 11 LEU C C 13 177.5830 0.3 . 1 . . . A 159 LEU C . 25276 1 77 . 1 1 11 11 LEU CA C 13 54.7310 0.3 . 1 . . . A 159 LEU CA . 25276 1 78 . 1 1 11 11 LEU N N 15 123.0190 0.2 . 1 . . . A 159 LEU N . 25276 1 79 . 1 1 12 12 PHE H H 1 7.9530 0.02 . 1 . . . A 160 PHE H . 25276 1 80 . 1 1 12 12 PHE HB2 H 1 3.3750 0.02 . 1 . . . A 160 PHE HB2 . 25276 1 81 . 1 1 12 12 PHE HB3 H 1 3.3750 0.02 . 2 . . . A 160 PHE HB3 . 25276 1 82 . 1 1 12 12 PHE C C 13 176.5490 0.3 . 1 . . . A 160 PHE C . 25276 1 83 . 1 1 12 12 PHE CA C 13 57.2060 0.3 . 1 . . . A 160 PHE CA . 25276 1 84 . 1 1 12 12 PHE CB C 13 39.4720 0.3 . 1 . . . A 160 PHE CB . 25276 1 85 . 1 1 12 12 PHE N N 15 112.5860 0.2 . 1 . . . A 160 PHE N . 25276 1 86 . 1 1 13 13 GLY H H 1 7.9150 0.02 . 1 . . . A 161 GLY H . 25276 1 87 . 1 1 13 13 GLY HA2 H 1 4.1000 0.02 . 2 . . . A 161 GLY HA2 . 25276 1 88 . 1 1 13 13 GLY HA3 H 1 3.9200 0.02 . 2 . . . A 161 GLY HA3 . 25276 1 89 . 1 1 13 13 GLY C C 13 174.1510 0.3 . 1 . . . A 161 GLY C . 25276 1 90 . 1 1 13 13 GLY CA C 13 45.4840 0.3 . 1 . . . A 161 GLY CA . 25276 1 91 . 1 1 13 13 GLY N N 15 109.7130 0.2 . 1 . . . A 161 GLY N . 25276 1 92 . 1 1 14 14 SER H H 1 8.4050 0.02 . 1 . . . A 162 SER H . 25276 1 93 . 1 1 14 14 SER HA H 1 4.4860 0.02 . 1 . . . A 162 SER HA . 25276 1 94 . 1 1 14 14 SER HB2 H 1 3.8580 0.02 . 2 . . . A 162 SER HB2 . 25276 1 95 . 1 1 14 14 SER HB3 H 1 3.8580 0.02 . 2 . . . A 162 SER HB3 . 25276 1 96 . 1 1 14 14 SER C C 13 174.3430 0.3 . 1 . . . A 162 SER C . 25276 1 97 . 1 1 14 14 SER CA C 13 58.3260 0.3 . 1 . . . A 162 SER CA . 25276 1 98 . 1 1 14 14 SER CB C 13 64.0880 0.3 . 1 . . . A 162 SER CB . 25276 1 99 . 1 1 14 14 SER N N 15 115.9910 0.2 . 1 . . . A 162 SER N . 25276 1 100 . 1 1 15 15 ASP H H 1 8.5530 0.02 . 1 . . . A 163 ASP H . 25276 1 101 . 1 1 15 15 ASP HA H 1 4.6680 0.02 . 1 . . . A 163 ASP HA . 25276 1 102 . 1 1 15 15 ASP HB2 H 1 2.7420 0.02 . 2 . . . A 163 ASP HB2 . 25276 1 103 . 1 1 15 15 ASP HB3 H 1 2.5980 0.02 . 2 . . . A 163 ASP HB3 . 25276 1 104 . 1 1 15 15 ASP C C 13 175.9080 0.3 . 1 . . . A 163 ASP C . 25276 1 105 . 1 1 15 15 ASP CA C 13 54.5480 0.3 . 1 . . . A 163 ASP CA . 25276 1 106 . 1 1 15 15 ASP CB C 13 41.3380 0.3 . 1 . . . A 163 ASP CB . 25276 1 107 . 1 1 15 15 ASP N N 15 122.7740 0.2 . 1 . . . A 163 ASP N . 25276 1 108 . 1 1 16 16 ASN H H 1 8.4880 0.02 . 1 . . . A 164 ASN H . 25276 1 109 . 1 1 16 16 ASN HA H 1 4.7380 0.02 . 1 . . . A 164 ASN HA . 25276 1 110 . 1 1 16 16 ASN HB2 H 1 2.8610 0.02 . 2 . . . A 164 ASN HB2 . 25276 1 111 . 1 1 16 16 ASN HB3 H 1 2.7900 0.02 . 2 . . . A 164 ASN HB3 . 25276 1 112 . 1 1 16 16 ASN HD21 H 1 6.9520 0.02 . 2 . . . A 164 ASN HD21 . 25276 1 113 . 1 1 16 16 ASN HD22 H 1 7.5930 0.02 . 2 . . . A 164 ASN HD22 . 25276 1 114 . 1 1 16 16 ASN C C 13 175.0090 0.3 . 1 . . . A 164 ASN C . 25276 1 115 . 1 1 16 16 ASN CA C 13 52.9470 0.3 . 1 . . . A 164 ASN CA . 25276 1 116 . 1 1 16 16 ASN CB C 13 39.2700 0.3 . 1 . . . A 164 ASN CB . 25276 1 117 . 1 1 16 16 ASN N N 15 119.0460 0.2 . 1 . . . A 164 ASN N . 25276 1 118 . 1 1 16 16 ASN ND2 N 15 113.2210 0.2 . 1 . . . A 164 ASN ND2 . 25276 1 119 . 1 1 17 17 GLU H H 1 8.5810 0.02 . 1 . . . A 165 GLU H . 25276 1 120 . 1 1 17 17 GLU HA H 1 4.1650 0.02 . 1 . . . A 165 GLU HA . 25276 1 121 . 1 1 17 17 GLU HB2 H 1 1.9520 0.02 . 2 . . . A 165 GLU HB2 . 25276 1 122 . 1 1 17 17 GLU HB3 H 1 1.9520 0.02 . 2 . . . A 165 GLU HB3 . 25276 1 123 . 1 1 17 17 GLU HG2 H 1 2.2960 0.02 . 2 . . . A 165 GLU HG2 . 25276 1 124 . 1 1 17 17 GLU HG3 H 1 2.2960 0.02 . 2 . . . A 165 GLU HG3 . 25276 1 125 . 1 1 17 17 GLU C C 13 177.9250 0.3 . 1 . . . A 165 GLU C . 25276 1 126 . 1 1 17 17 GLU CA C 13 58.2730 0.3 . 1 . . . A 165 GLU CA . 25276 1 127 . 1 1 17 17 GLU CB C 13 29.9780 0.3 . 1 . . . A 165 GLU CB . 25276 1 128 . 1 1 17 17 GLU CG C 13 36.3480 0.3 . 1 . . . A 165 GLU CG . 25276 1 129 . 1 1 17 17 GLU N N 15 121.8070 0.2 . 1 . . . A 165 GLU N . 25276 1 130 . 1 1 18 18 GLU H H 1 8.3650 0.02 . 1 . . . A 166 GLU H . 25276 1 131 . 1 1 18 18 GLU HA H 1 4.1710 0.02 . 1 . . . A 166 GLU HA . 25276 1 132 . 1 1 18 18 GLU HB2 H 1 2.0640 0.02 . 2 . . . A 166 GLU HB2 . 25276 1 133 . 1 1 18 18 GLU HB3 H 1 2.0640 0.02 . 2 . . . A 166 GLU HB3 . 25276 1 134 . 1 1 18 18 GLU HG2 H 1 2.2970 0.02 . 2 . . . A 166 GLU HG2 . 25276 1 135 . 1 1 18 18 GLU HG3 H 1 2.2970 0.02 . 2 . . . A 166 GLU HG3 . 25276 1 136 . 1 1 18 18 GLU C C 13 178.2010 0.3 . 1 . . . A 166 GLU C . 25276 1 137 . 1 1 18 18 GLU CA C 13 57.9750 0.3 . 1 . . . A 166 GLU CA . 25276 1 138 . 1 1 18 18 GLU CB C 13 29.7480 0.3 . 1 . . . A 166 GLU CB . 25276 1 139 . 1 1 18 18 GLU CG C 13 36.1820 0.3 . 1 . . . A 166 GLU CG . 25276 1 140 . 1 1 18 18 GLU N N 15 120.6110 0.2 . 1 . . . A 166 GLU N . 25276 1 141 . 1 1 19 19 GLU H H 1 8.2340 0.02 . 1 . . . A 167 GLU H . 25276 1 142 . 1 1 19 19 GLU HA H 1 4.1410 0.02 . 1 . . . A 167 GLU HA . 25276 1 143 . 1 1 19 19 GLU HB2 H 1 2.0290 0.02 . 2 . . . A 167 GLU HB2 . 25276 1 144 . 1 1 19 19 GLU HB3 H 1 2.0290 0.02 . 2 . . . A 167 GLU HB3 . 25276 1 145 . 1 1 19 19 GLU HG2 H 1 2.2920 0.02 . 2 . . . A 167 GLU HG2 . 25276 1 146 . 1 1 19 19 GLU HG3 H 1 2.2920 0.02 . 2 . . . A 167 GLU HG3 . 25276 1 147 . 1 1 19 19 GLU C C 13 178.3860 0.3 . 1 . . . A 167 GLU C . 25276 1 148 . 1 1 19 19 GLU CA C 13 57.9360 0.3 . 1 . . . A 167 GLU CA . 25276 1 149 . 1 1 19 19 GLU CB C 13 30.2210 0.3 . 1 . . . A 167 GLU CB . 25276 1 150 . 1 1 19 19 GLU CG C 13 36.2690 0.3 . 1 . . . A 167 GLU CG . 25276 1 151 . 1 1 19 19 GLU N N 15 121.5000 0.2 . 1 . . . A 167 GLU N . 25276 1 152 . 1 1 20 20 ASP H H 1 8.3710 0.02 . 1 . . . A 168 ASP H . 25276 1 153 . 1 1 20 20 ASP HA H 1 4.7380 0.02 . 1 . . . A 168 ASP HA . 25276 1 154 . 1 1 20 20 ASP HB2 H 1 2.7900 0.02 . 2 . . . A 168 ASP HB2 . 25276 1 155 . 1 1 20 20 ASP HB3 H 1 2.8580 0.02 . 2 . . . A 168 ASP HB3 . 25276 1 156 . 1 1 20 20 ASP C C 13 178.4850 0.3 . 1 . . . A 168 ASP C . 25276 1 157 . 1 1 20 20 ASP CA C 13 52.8120 0.3 . 1 . . . A 168 ASP CA . 25276 1 158 . 1 1 20 20 ASP CB C 13 39.3940 0.3 . 1 . . . A 168 ASP CB . 25276 1 159 . 1 1 20 20 ASP N N 15 121.7670 0.2 . 1 . . . A 168 ASP N . 25276 1 160 . 1 1 21 21 LYS H H 1 8.2640 0.02 . 1 . . . A 169 LYS H . 25276 1 161 . 1 1 21 21 LYS HA H 1 4.1380 0.02 . 1 . . . A 169 LYS HA . 25276 1 162 . 1 1 21 21 LYS HB2 H 1 1.9260 0.02 . 2 . . . A 169 LYS HB2 . 25276 1 163 . 1 1 21 21 LYS HB3 H 1 1.9260 0.02 . 2 . . . A 169 LYS HB3 . 25276 1 164 . 1 1 21 21 LYS HG2 H 1 1.5850 0.02 . 2 . . . A 169 LYS HG2 . 25276 1 165 . 1 1 21 21 LYS HG3 H 1 1.4390 0.02 . 2 . . . A 169 LYS HG3 . 25276 1 166 . 1 1 21 21 LYS HD2 H 1 1.7080 0.02 . 2 . . . A 169 LYS HD2 . 25276 1 167 . 1 1 21 21 LYS HD3 H 1 1.7080 0.02 . 2 . . . A 169 LYS HD3 . 25276 1 168 . 1 1 21 21 LYS HE2 H 1 3.0210 0.02 . 2 . . . A 169 LYS HE2 . 25276 1 169 . 1 1 21 21 LYS HE3 H 1 3.0210 0.02 . 2 . . . A 169 LYS HE3 . 25276 1 170 . 1 1 21 21 LYS C C 13 179.2730 0.3 . 1 . . . A 169 LYS C . 25276 1 171 . 1 1 21 21 LYS CA C 13 58.9770 0.3 . 1 . . . A 169 LYS CA . 25276 1 172 . 1 1 21 21 LYS CB C 13 32.3060 0.3 . 1 . . . A 169 LYS CB . 25276 1 173 . 1 1 21 21 LYS CG C 13 25.0620 0.3 . 1 . . . A 169 LYS CG . 25276 1 174 . 1 1 21 21 LYS CD C 13 29.1480 0.3 . 1 . . . A 169 LYS CD . 25276 1 175 . 1 1 21 21 LYS CE C 13 42.1870 0.3 . 1 . . . A 169 LYS CE . 25276 1 176 . 1 1 21 21 LYS N N 15 123.0060 0.2 . 1 . . . A 169 LYS N . 25276 1 177 . 1 1 22 22 GLU H H 1 8.2040 0.02 . 1 . . . A 170 GLU H . 25276 1 178 . 1 1 22 22 GLU HA H 1 4.1330 0.02 . 1 . . . A 170 GLU HA . 25276 1 179 . 1 1 22 22 GLU HB2 H 1 2.1310 0.02 . 2 . . . A 170 GLU HB2 . 25276 1 180 . 1 1 22 22 GLU HB3 H 1 2.0320 0.02 . 2 . . . A 170 GLU HB3 . 25276 1 181 . 1 1 22 22 GLU HG2 H 1 2.4090 0.02 . 2 . . . A 170 GLU HG2 . 25276 1 182 . 1 1 22 22 GLU HG3 H 1 2.4090 0.02 . 2 . . . A 170 GLU HG3 . 25276 1 183 . 1 1 22 22 GLU C C 13 179.4530 0.3 . 1 . . . A 170 GLU C . 25276 1 184 . 1 1 22 22 GLU CA C 13 58.9290 0.3 . 1 . . . A 170 GLU CA . 25276 1 185 . 1 1 22 22 GLU CB C 13 29.5910 0.3 . 1 . . . A 170 GLU CB . 25276 1 186 . 1 1 22 22 GLU CG C 13 36.3350 0.3 . 1 . . . A 170 GLU CG . 25276 1 187 . 1 1 22 22 GLU N N 15 120.2380 0.2 . 1 . . . A 170 GLU N . 25276 1 188 . 1 1 23 23 ALA H H 1 8.2790 0.02 . 1 . . . A 171 ALA H . 25276 1 189 . 1 1 23 23 ALA HA H 1 4.0840 0.02 . 1 . . . A 171 ALA HA . 25276 1 190 . 1 1 23 23 ALA HB1 H 1 1.5690 0.02 . 1 . . . A 171 ALA HB1 . 25276 1 191 . 1 1 23 23 ALA HB2 H 1 1.5690 0.02 . 1 . . . A 171 ALA HB2 . 25276 1 192 . 1 1 23 23 ALA HB3 H 1 1.5690 0.02 . 1 . . . A 171 ALA HB3 . 25276 1 193 . 1 1 23 23 ALA C C 13 180.2630 0.3 . 1 . . . A 171 ALA C . 25276 1 194 . 1 1 23 23 ALA CA C 13 54.9930 0.3 . 1 . . . A 171 ALA CA . 25276 1 195 . 1 1 23 23 ALA CB C 13 18.3310 0.3 . 1 . . . A 171 ALA CB . 25276 1 196 . 1 1 23 23 ALA N N 15 123.5220 0.2 . 1 . . . A 171 ALA N . 25276 1 197 . 1 1 24 24 ALA H H 1 8.1430 0.02 . 1 . . . A 172 ALA H . 25276 1 198 . 1 1 24 24 ALA HA H 1 4.1980 0.02 . 1 . . . A 172 ALA HA . 25276 1 199 . 1 1 24 24 ALA HB1 H 1 1.5330 0.02 . 1 . . . A 172 ALA HB1 . 25276 1 200 . 1 1 24 24 ALA HB2 H 1 1.5330 0.02 . 1 . . . A 172 ALA HB2 . 25276 1 201 . 1 1 24 24 ALA HB3 H 1 1.5330 0.02 . 1 . . . A 172 ALA HB3 . 25276 1 202 . 1 1 24 24 ALA C C 13 180.4670 0.3 . 1 . . . A 172 ALA C . 25276 1 203 . 1 1 24 24 ALA CA C 13 54.9580 0.3 . 1 . . . A 172 ALA CA . 25276 1 204 . 1 1 24 24 ALA CB C 13 18.1680 0.3 . 1 . . . A 172 ALA CB . 25276 1 205 . 1 1 24 24 ALA N N 15 121.9110 0.2 . 1 . . . A 172 ALA N . 25276 1 206 . 1 1 25 25 GLN H H 1 8.0650 0.02 . 1 . . . A 173 GLN H . 25276 1 207 . 1 1 25 25 GLN HA H 1 4.1320 0.02 . 1 . . . A 173 GLN HA . 25276 1 208 . 1 1 25 25 GLN HB2 H 1 2.1820 0.02 . 2 . . . A 173 GLN HB2 . 25276 1 209 . 1 1 25 25 GLN HB3 H 1 2.1820 0.02 . 2 . . . A 173 GLN HB3 . 25276 1 210 . 1 1 25 25 GLN HG2 H 1 2.5250 0.02 . 2 . . . A 173 GLN HG2 . 25276 1 211 . 1 1 25 25 GLN HG3 H 1 2.4170 0.02 . 2 . . . A 173 GLN HG3 . 25276 1 212 . 1 1 25 25 GLN HE21 H 1 6.8450 0.02 . 2 . . . A 173 GLN HE21 . 25276 1 213 . 1 1 25 25 GLN HE22 H 1 7.5650 0.02 . 2 . . . A 173 GLN HE22 . 25276 1 214 . 1 1 25 25 GLN C C 13 178.6570 0.3 . 1 . . . A 173 GLN C . 25276 1 215 . 1 1 25 25 GLN CA C 13 58.5000 0.3 . 1 . . . A 173 GLN CA . 25276 1 216 . 1 1 25 25 GLN CB C 13 28.3480 0.3 . 1 . . . A 173 GLN CB . 25276 1 217 . 1 1 25 25 GLN CG C 13 34.0170 0.3 . 1 . . . A 173 GLN CG . 25276 1 218 . 1 1 25 25 GLN N N 15 118.9310 0.2 . 1 . . . A 173 GLN N . 25276 1 219 . 1 1 25 25 GLN NE2 N 15 111.9120 0.2 . 1 . . . A 173 GLN NE2 . 25276 1 220 . 1 1 26 26 LEU H H 1 7.9020 0.02 . 1 . . . A 174 LEU H . 25276 1 221 . 1 1 26 26 LEU HA H 1 4.1750 0.02 . 1 . . . A 174 LEU HA . 25276 1 222 . 1 1 26 26 LEU HB2 H 1 1.6980 0.02 . 2 . . . A 174 LEU HB2 . 25276 1 223 . 1 1 26 26 LEU HB3 H 1 1.6980 0.02 . 2 . . . A 174 LEU HB3 . 25276 1 224 . 1 1 26 26 LEU HG H 1 1.5850 0.02 . 1 . . . A 174 LEU HG . 25276 1 225 . 1 1 26 26 LEU C C 13 179.0400 0.3 . 1 . . . A 174 LEU C . 25276 1 226 . 1 1 26 26 LEU CA C 13 57.5500 0.3 . 1 . . . A 174 LEU CA . 25276 1 227 . 1 1 26 26 LEU CB C 13 42.1250 0.3 . 1 . . . A 174 LEU CB . 25276 1 228 . 1 1 26 26 LEU CG C 13 25.0050 0.3 . 1 . . . A 174 LEU CG . 25276 1 229 . 1 1 26 26 LEU N N 15 121.2500 0.2 . 1 . . . A 174 LEU N . 25276 1 230 . 1 1 27 27 ARG H H 1 8.0560 0.02 . 1 . . . A 175 ARG H . 25276 1 231 . 1 1 27 27 ARG HA H 1 4.0580 0.02 . 1 . . . A 175 ARG HA . 25276 1 232 . 1 1 27 27 ARG HB2 H 1 1.9420 0.02 . 2 . . . A 175 ARG HB2 . 25276 1 233 . 1 1 27 27 ARG HB3 H 1 1.9420 0.02 . 2 . . . A 175 ARG HB3 . 25276 1 234 . 1 1 27 27 ARG HG2 H 1 1.6060 0.02 . 2 . . . A 175 ARG HG2 . 25276 1 235 . 1 1 27 27 ARG HG3 H 1 1.7920 0.02 . 2 . . . A 175 ARG HG3 . 25276 1 236 . 1 1 27 27 ARG HD2 H 1 3.2280 0.02 . 2 . . . A 175 ARG HD2 . 25276 1 237 . 1 1 27 27 ARG HD3 H 1 3.2280 0.02 . 2 . . . A 175 ARG HD3 . 25276 1 238 . 1 1 27 27 ARG C C 13 178.1970 0.3 . 1 . . . A 175 ARG C . 25276 1 239 . 1 1 27 27 ARG CA C 13 59.7000 0.3 . 1 . . . A 175 ARG CA . 25276 1 240 . 1 1 27 27 ARG CB C 13 29.9720 0.3 . 1 . . . A 175 ARG CB . 25276 1 241 . 1 1 27 27 ARG CG C 13 27.5660 0.3 . 1 . . . A 175 ARG CG . 25276 1 242 . 1 1 27 27 ARG CD C 13 43.4260 0.3 . 1 . . . A 175 ARG CD . 25276 1 243 . 1 1 27 27 ARG N N 15 120.5090 0.2 . 1 . . . A 175 ARG N . 25276 1 244 . 1 1 28 28 GLU H H 1 8.0060 0.02 . 1 . . . A 176 GLU H . 25276 1 245 . 1 1 28 28 GLU HA H 1 4.0620 0.02 . 1 . . . A 176 GLU HA . 25276 1 246 . 1 1 28 28 GLU HB2 H 1 2.1370 0.02 . 2 . . . A 176 GLU HB2 . 25276 1 247 . 1 1 28 28 GLU HB3 H 1 2.1370 0.02 . 2 . . . A 176 GLU HB3 . 25276 1 248 . 1 1 28 28 GLU HG2 H 1 2.4020 0.02 . 2 . . . A 176 GLU HG2 . 25276 1 249 . 1 1 28 28 GLU HG3 H 1 2.4020 0.02 . 2 . . . A 176 GLU HG3 . 25276 1 250 . 1 1 28 28 GLU C C 13 178.7190 0.3 . 1 . . . A 176 GLU C . 25276 1 251 . 1 1 28 28 GLU CA C 13 59.2580 0.3 . 1 . . . A 176 GLU CA . 25276 1 252 . 1 1 28 28 GLU CB C 13 29.4220 0.3 . 1 . . . A 176 GLU CB . 25276 1 253 . 1 1 28 28 GLU CG C 13 36.1300 0.3 . 1 . . . A 176 GLU CG . 25276 1 254 . 1 1 28 28 GLU N N 15 118.4940 0.2 . 1 . . . A 176 GLU N . 25276 1 255 . 1 1 29 29 GLU H H 1 8.0960 0.02 . 1 . . . A 177 GLU H . 25276 1 256 . 1 1 29 29 GLU HA H 1 4.1560 0.02 . 1 . . . A 177 GLU HA . 25276 1 257 . 1 1 29 29 GLU HB2 H 1 2.0530 0.02 . 2 . . . A 177 GLU HB2 . 25276 1 258 . 1 1 29 29 GLU HB3 H 1 2.0530 0.02 . 2 . . . A 177 GLU HB3 . 25276 1 259 . 1 1 29 29 GLU HG2 H 1 2.2820 0.02 . 2 . . . A 177 GLU HG2 . 25276 1 260 . 1 1 29 29 GLU HG3 H 1 2.2820 0.02 . 2 . . . A 177 GLU HG3 . 25276 1 261 . 1 1 29 29 GLU C C 13 176.2610 0.3 . 1 . . . A 177 GLU C . 25276 1 262 . 1 1 29 29 GLU CA C 13 59.0360 0.3 . 1 . . . A 177 GLU CA . 25276 1 263 . 1 1 29 29 GLU CB C 13 30.1490 0.3 . 1 . . . A 177 GLU CB . 25276 1 264 . 1 1 29 29 GLU CG C 13 36.2640 0.3 . 1 . . . A 177 GLU CG . 25276 1 265 . 1 1 29 29 GLU N N 15 120.6010 0.2 . 1 . . . A 177 GLU N . 25276 1 266 . 1 1 30 30 ARG H H 1 8.0840 0.02 . 1 . . . A 178 ARG H . 25276 1 267 . 1 1 30 30 ARG HA H 1 4.1440 0.02 . 1 . . . A 178 ARG HA . 25276 1 268 . 1 1 30 30 ARG HB2 H 1 1.9380 0.02 . 2 . . . A 178 ARG HB2 . 25276 1 269 . 1 1 30 30 ARG HB3 H 1 1.9380 0.02 . 2 . . . A 178 ARG HB3 . 25276 1 270 . 1 1 30 30 ARG HG2 H 1 1.7890 0.02 . 2 . . . A 178 ARG HG2 . 25276 1 271 . 1 1 30 30 ARG HG3 H 1 1.6040 0.02 . 2 . . . A 178 ARG HG3 . 25276 1 272 . 1 1 30 30 ARG HD2 H 1 3.2260 0.02 . 2 . . . A 178 ARG HD2 . 25276 1 273 . 1 1 30 30 ARG HD3 H 1 3.2260 0.02 . 2 . . . A 178 ARG HD3 . 25276 1 274 . 1 1 30 30 ARG C C 13 177.6360 0.3 . 1 . . . A 178 ARG C . 25276 1 275 . 1 1 30 30 ARG CA C 13 58.5410 0.3 . 1 . . . A 178 ARG CA . 25276 1 276 . 1 1 30 30 ARG CB C 13 29.6940 0.3 . 1 . . . A 178 ARG CB . 25276 1 277 . 1 1 30 30 ARG CG C 13 27.5770 0.3 . 1 . . . A 178 ARG CG . 25276 1 278 . 1 1 30 30 ARG CD C 13 43.4550 0.3 . 1 . . . A 178 ARG CD . 25276 1 279 . 1 1 30 30 ARG N N 15 119.6510 0.2 . 1 . . . A 178 ARG N . 25276 1 280 . 1 1 31 31 LEU H H 1 8.2950 0.02 . 1 . . . A 179 LEU H . 25276 1 281 . 1 1 31 31 LEU HA H 1 4.1140 0.02 . 1 . . . A 179 LEU HA . 25276 1 282 . 1 1 31 31 LEU HB2 H 1 3.2260 0.02 . 2 . . . A 179 LEU HB2 . 25276 1 283 . 1 1 31 31 LEU HB3 H 1 3.2260 0.02 . 2 . . . A 179 LEU HB3 . 25276 1 284 . 1 1 31 31 LEU HG H 1 1.6010 0.02 . 1 . . . A 179 LEU HG . 25276 1 285 . 1 1 31 31 LEU HD11 H 1 0.9070 0.02 . 2 . . . A 179 LEU HD11 . 25276 1 286 . 1 1 31 31 LEU HD12 H 1 0.9070 0.02 . 2 . . . A 179 LEU HD12 . 25276 1 287 . 1 1 31 31 LEU HD13 H 1 0.9070 0.02 . 2 . . . A 179 LEU HD13 . 25276 1 288 . 1 1 31 31 LEU HD21 H 1 0.8710 0.02 . 2 . . . A 179 LEU HD21 . 25276 1 289 . 1 1 31 31 LEU HD22 H 1 0.8710 0.02 . 2 . . . A 179 LEU HD22 . 25276 1 290 . 1 1 31 31 LEU HD23 H 1 0.8710 0.02 . 2 . . . A 179 LEU HD23 . 25276 1 291 . 1 1 31 31 LEU C C 13 178.5860 0.3 . 1 . . . A 179 LEU C . 25276 1 292 . 1 1 31 31 LEU CA C 13 59.3090 0.3 . 1 . . . A 179 LEU CA . 25276 1 293 . 1 1 31 31 LEU CB C 13 43.5040 0.3 . 1 . . . A 179 LEU CB . 25276 1 294 . 1 1 31 31 LEU CG C 13 27.2400 0.3 . 1 . . . A 179 LEU CG . 25276 1 295 . 1 1 31 31 LEU CD1 C 13 25.2100 0.3 . 2 . . . A 179 LEU CD1 . 25276 1 296 . 1 1 31 31 LEU CD2 C 13 23.5630 0.3 . 2 . . . A 179 LEU CD2 . 25276 1 297 . 1 1 31 31 LEU N N 15 119.2160 0.2 . 1 . . . A 179 LEU N . 25276 1 298 . 1 1 32 32 ARG H H 1 8.0590 0.02 . 1 . . . A 180 ARG H . 25276 1 299 . 1 1 32 32 ARG HA H 1 4.3130 0.02 . 1 . . . A 180 ARG HA . 25276 1 300 . 1 1 32 32 ARG HB2 H 1 2.0960 0.02 . 2 . . . A 180 ARG HB2 . 25276 1 301 . 1 1 32 32 ARG HB3 H 1 1.9440 0.02 . 2 . . . A 180 ARG HB3 . 25276 1 302 . 1 1 32 32 ARG HG2 H 1 1.5990 0.02 . 2 . . . A 180 ARG HG2 . 25276 1 303 . 1 1 32 32 ARG HG3 H 1 1.5990 0.02 . 2 . . . A 180 ARG HG3 . 25276 1 304 . 1 1 32 32 ARG HD2 H 1 2.2920 0.02 . 2 . . . A 180 ARG HD2 . 25276 1 305 . 1 1 32 32 ARG HD3 H 1 2.2920 0.02 . 2 . . . A 180 ARG HD3 . 25276 1 306 . 1 1 32 32 ARG C C 13 179.0040 0.3 . 1 . . . A 180 ARG C . 25276 1 307 . 1 1 32 32 ARG CA C 13 57.2020 0.3 . 1 . . . A 180 ARG CA . 25276 1 308 . 1 1 32 32 ARG CB C 13 29.9080 0.3 . 1 . . . A 180 ARG CB . 25276 1 309 . 1 1 32 32 ARG CG C 13 27.6330 0.3 . 1 . . . A 180 ARG CG . 25276 1 310 . 1 1 32 32 ARG CD C 13 36.1610 0.3 . 1 . . . A 180 ARG CD . 25276 1 311 . 1 1 32 32 ARG N N 15 119.6810 0.2 . 1 . . . A 180 ARG N . 25276 1 312 . 1 1 33 33 GLN H H 1 8.1150 0.02 . 1 . . . A 181 GLN H . 25276 1 313 . 1 1 33 33 GLN HA H 1 4.3140 0.02 . 1 . . . A 181 GLN HA . 25276 1 314 . 1 1 33 33 GLN HB2 H 1 2.1020 0.02 . 2 . . . A 181 GLN HB2 . 25276 1 315 . 1 1 33 33 GLN HB3 H 1 1.9360 0.02 . 2 . . . A 181 GLN HB3 . 25276 1 316 . 1 1 33 33 GLN HG2 H 1 2.2910 0.02 . 2 . . . A 181 GLN HG2 . 25276 1 317 . 1 1 33 33 GLN HG3 H 1 2.2910 0.02 . 2 . . . A 181 GLN HG3 . 25276 1 318 . 1 1 33 33 GLN HE21 H 1 6.7540 0.02 . 2 . . . A 181 GLN HE21 . 25276 1 319 . 1 1 33 33 GLN HE22 H 1 7.4890 0.02 . 2 . . . A 181 GLN HE22 . 25276 1 320 . 1 1 33 33 GLN C C 13 176.8760 0.3 . 1 . . . A 181 GLN C . 25276 1 321 . 1 1 33 33 GLN CA C 13 57.0570 0.3 . 1 . . . A 181 GLN CA . 25276 1 322 . 1 1 33 33 GLN CB C 13 29.8290 0.3 . 1 . . . A 181 GLN CB . 25276 1 323 . 1 1 33 33 GLN CG C 13 36.2570 0.3 . 1 . . . A 181 GLN CG . 25276 1 324 . 1 1 33 33 GLN N N 15 119.6410 0.2 . 1 . . . A 181 GLN N . 25276 1 325 . 1 1 33 33 GLN NE2 N 15 111.5190 0.2 . 1 . . . A 181 GLN NE2 . 25276 1 326 . 1 1 34 34 TYR H H 1 8.2560 0.02 . 1 . . . A 182 TYR H . 25276 1 327 . 1 1 34 34 TYR HA H 1 4.1420 0.02 . 1 . . . A 182 TYR HA . 25276 1 328 . 1 1 34 34 TYR HB2 H 1 2.3060 0.02 . 2 . . . A 182 TYR HB2 . 25276 1 329 . 1 1 34 34 TYR HB3 H 1 2.3060 0.02 . 2 . . . A 182 TYR HB3 . 25276 1 330 . 1 1 34 34 TYR C C 13 177.7620 0.3 . 1 . . . A 182 TYR C . 25276 1 331 . 1 1 34 34 TYR CA C 13 58.3160 0.3 . 1 . . . A 182 TYR CA . 25276 1 332 . 1 1 34 34 TYR CB C 13 36.9150 0.3 . 1 . . . A 182 TYR CB . 25276 1 333 . 1 1 34 34 TYR N N 15 120.5030 0.2 . 1 . . . A 182 TYR N . 25276 1 334 . 1 1 35 35 ALA H H 1 8.2090 0.02 . 1 . . . A 183 ALA H . 25276 1 335 . 1 1 35 35 ALA HA H 1 4.1590 0.02 . 1 . . . A 183 ALA HA . 25276 1 336 . 1 1 35 35 ALA HB1 H 1 1.5460 0.02 . 1 . . . A 183 ALA HB1 . 25276 1 337 . 1 1 35 35 ALA HB2 H 1 1.5460 0.02 . 1 . . . A 183 ALA HB2 . 25276 1 338 . 1 1 35 35 ALA HB3 H 1 1.5460 0.02 . 1 . . . A 183 ALA HB3 . 25276 1 339 . 1 1 35 35 ALA C C 13 180.5130 0.3 . 1 . . . A 183 ALA C . 25276 1 340 . 1 1 35 35 ALA CA C 13 54.5970 0.3 . 1 . . . A 183 ALA CA . 25276 1 341 . 1 1 35 35 ALA CB C 13 18.3090 0.3 . 1 . . . A 183 ALA CB . 25276 1 342 . 1 1 35 35 ALA N N 15 123.0190 0.2 . 1 . . . A 183 ALA N . 25276 1 343 . 1 1 36 36 GLU H H 1 7.9480 0.02 . 1 . . . A 184 GLU H . 25276 1 344 . 1 1 36 36 GLU HA H 1 4.1380 0.02 . 1 . . . A 184 GLU HA . 25276 1 345 . 1 1 36 36 GLU HB2 H 1 2.0470 0.02 . 2 . . . A 184 GLU HB2 . 25276 1 346 . 1 1 36 36 GLU HB3 H 1 2.0470 0.02 . 2 . . . A 184 GLU HB3 . 25276 1 347 . 1 1 36 36 GLU HG2 H 1 2.2990 0.02 . 2 . . . A 184 GLU HG2 . 25276 1 348 . 1 1 36 36 GLU HG3 H 1 2.2990 0.02 . 2 . . . A 184 GLU HG3 . 25276 1 349 . 1 1 36 36 GLU C C 13 179.9580 0.3 . 1 . . . A 184 GLU C . 25276 1 350 . 1 1 36 36 GLU CA C 13 58.2840 0.3 . 1 . . . A 184 GLU CA . 25276 1 351 . 1 1 36 36 GLU CB C 13 29.6520 0.3 . 1 . . . A 184 GLU CB . 25276 1 352 . 1 1 36 36 GLU CG C 13 36.2100 0.3 . 1 . . . A 184 GLU CG . 25276 1 353 . 1 1 36 36 GLU N N 15 118.4060 0.2 . 1 . . . A 184 GLU N . 25276 1 354 . 1 1 37 37 LYS H H 1 7.9610 0.02 . 1 . . . A 185 LYS H . 25276 1 355 . 1 1 37 37 LYS C C 13 178.3910 0.3 . 1 . . . A 185 LYS C . 25276 1 356 . 1 1 37 37 LYS CA C 13 59.2080 0.3 . 1 . . . A 185 LYS CA . 25276 1 357 . 1 1 37 37 LYS N N 15 119.8280 0.2 . 1 . . . A 185 LYS N . 25276 1 358 . 1 1 38 38 LYS H H 1 7.9070 0.02 . 1 . . . A 186 LYS H . 25276 1 359 . 1 1 38 38 LYS HA H 1 4.1580 0.02 . 1 . . . A 186 LYS HA . 25276 1 360 . 1 1 38 38 LYS HB2 H 1 1.8800 0.02 . 2 . . . A 186 LYS HB2 . 25276 1 361 . 1 1 38 38 LYS HB3 H 1 1.8800 0.02 . 2 . . . A 186 LYS HB3 . 25276 1 362 . 1 1 38 38 LYS HG2 H 1 1.5950 0.02 . 2 . . . A 186 LYS HG2 . 25276 1 363 . 1 1 38 38 LYS HG3 H 1 1.5950 0.02 . 2 . . . A 186 LYS HG3 . 25276 1 364 . 1 1 38 38 LYS HD2 H 1 1.7110 0.02 . 2 . . . A 186 LYS HD2 . 25276 1 365 . 1 1 38 38 LYS HD3 H 1 1.7110 0.02 . 2 . . . A 186 LYS HD3 . 25276 1 366 . 1 1 38 38 LYS HE2 H 1 3.0220 0.02 . 2 . . . A 186 LYS HE2 . 25276 1 367 . 1 1 38 38 LYS HE3 H 1 3.0220 0.02 . 2 . . . A 186 LYS HE3 . 25276 1 368 . 1 1 38 38 LYS C C 13 177.2270 0.3 . 1 . . . A 186 LYS C . 25276 1 369 . 1 1 38 38 LYS CA C 13 57.4080 0.3 . 1 . . . A 186 LYS CA . 25276 1 370 . 1 1 38 38 LYS CB C 13 32.7910 0.3 . 1 . . . A 186 LYS CB . 25276 1 371 . 1 1 38 38 LYS CG C 13 24.9560 0.3 . 1 . . . A 186 LYS CG . 25276 1 372 . 1 1 38 38 LYS CD C 13 29.1820 0.3 . 1 . . . A 186 LYS CD . 25276 1 373 . 1 1 38 38 LYS CE C 13 42.2490 0.3 . 1 . . . A 186 LYS CE . 25276 1 374 . 1 1 38 38 LYS N N 15 119.9290 0.2 . 1 . . . A 186 LYS N . 25276 1 375 . 1 1 39 39 ALA H H 1 7.8230 0.02 . 1 . . . A 187 ALA H . 25276 1 376 . 1 1 39 39 ALA HA H 1 4.2700 0.02 . 1 . . . A 187 ALA HA . 25276 1 377 . 1 1 39 39 ALA HB1 H 1 1.4470 0.02 . 1 . . . A 187 ALA HB1 . 25276 1 378 . 1 1 39 39 ALA HB2 H 1 1.4470 0.02 . 1 . . . A 187 ALA HB2 . 25276 1 379 . 1 1 39 39 ALA HB3 H 1 1.4470 0.02 . 1 . . . A 187 ALA HB3 . 25276 1 380 . 1 1 39 39 ALA C C 13 177.8610 0.3 . 1 . . . A 187 ALA C . 25276 1 381 . 1 1 39 39 ALA CA C 13 52.9830 0.3 . 1 . . . A 187 ALA CA . 25276 1 382 . 1 1 39 39 ALA CB C 13 19.0420 0.3 . 1 . . . A 187 ALA CB . 25276 1 383 . 1 1 39 39 ALA N N 15 122.5450 0.2 . 1 . . . A 187 ALA N . 25276 1 384 . 1 1 40 40 LYS H H 1 7.9230 0.02 . 1 . . . A 188 LYS H . 25276 1 385 . 1 1 40 40 LYS HA H 1 4.2930 0.02 . 1 . . . A 188 LYS HA . 25276 1 386 . 1 1 40 40 LYS HB2 H 1 1.8710 0.02 . 2 . . . A 188 LYS HB2 . 25276 1 387 . 1 1 40 40 LYS HB3 H 1 1.7950 0.02 . 2 . . . A 188 LYS HB3 . 25276 1 388 . 1 1 40 40 LYS HG2 H 1 1.5230 0.02 . 2 . . . A 188 LYS HG2 . 25276 1 389 . 1 1 40 40 LYS HG3 H 1 1.4580 0.02 . 2 . . . A 188 LYS HG3 . 25276 1 390 . 1 1 40 40 LYS HD2 H 1 1.7040 0.02 . 2 . . . A 188 LYS HD2 . 25276 1 391 . 1 1 40 40 LYS HD3 H 1 1.7040 0.02 . 2 . . . A 188 LYS HD3 . 25276 1 392 . 1 1 40 40 LYS HE2 H 1 3.0150 0.02 . 2 . . . A 188 LYS HE2 . 25276 1 393 . 1 1 40 40 LYS HE3 H 1 3.0150 0.02 . 2 . . . A 188 LYS HE3 . 25276 1 394 . 1 1 40 40 LYS C C 13 176.4100 0.3 . 1 . . . A 188 LYS C . 25276 1 395 . 1 1 40 40 LYS CA C 13 56.2650 0.3 . 1 . . . A 188 LYS CA . 25276 1 396 . 1 1 40 40 LYS CB C 13 32.9160 0.3 . 1 . . . A 188 LYS CB . 25276 1 397 . 1 1 40 40 LYS CG C 13 24.8580 0.3 . 1 . . . A 188 LYS CG . 25276 1 398 . 1 1 40 40 LYS CD C 13 29.1440 0.3 . 1 . . . A 188 LYS CD . 25276 1 399 . 1 1 40 40 LYS CE C 13 42.2620 0.3 . 1 . . . A 188 LYS CE . 25276 1 400 . 1 1 40 40 LYS N N 15 119.4970 0.2 . 1 . . . A 188 LYS N . 25276 1 401 . 1 1 41 41 LYS H H 1 8.1370 0.02 . 1 . . . A 189 LYS H . 25276 1 402 . 1 1 41 41 LYS HA H 1 4.6110 0.02 . 1 . . . A 189 LYS HA . 25276 1 403 . 1 1 41 41 LYS HB2 H 1 1.8640 0.02 . 2 . . . A 189 LYS HB2 . 25276 1 404 . 1 1 41 41 LYS HB3 H 1 1.7630 0.02 . 2 . . . A 189 LYS HB3 . 25276 1 405 . 1 1 41 41 LYS HG2 H 1 1.5160 0.02 . 2 . . . A 189 LYS HG2 . 25276 1 406 . 1 1 41 41 LYS HG3 H 1 1.4720 0.02 . 2 . . . A 189 LYS HG3 . 25276 1 407 . 1 1 41 41 LYS HD2 H 1 1.7180 0.02 . 2 . . . A 189 LYS HD2 . 25276 1 408 . 1 1 41 41 LYS HD3 H 1 1.7180 0.02 . 2 . . . A 189 LYS HD3 . 25276 1 409 . 1 1 41 41 LYS HE2 H 1 3.0140 0.02 . 2 . . . A 189 LYS HE2 . 25276 1 410 . 1 1 41 41 LYS HE3 H 1 3.0140 0.02 . 2 . . . A 189 LYS HE3 . 25276 1 411 . 1 1 41 41 LYS C C 13 174.4450 0.3 . 1 . . . A 189 LYS C . 25276 1 412 . 1 1 41 41 LYS CA C 13 54.3200 0.3 . 1 . . . A 189 LYS CA . 25276 1 413 . 1 1 41 41 LYS CB C 13 32.5150 0.3 . 1 . . . A 189 LYS CB . 25276 1 414 . 1 1 41 41 LYS CG C 13 24.7590 0.3 . 1 . . . A 189 LYS CG . 25276 1 415 . 1 1 41 41 LYS CD C 13 29.1680 0.3 . 1 . . . A 189 LYS CD . 25276 1 416 . 1 1 41 41 LYS CE C 13 42.1600 0.3 . 1 . . . A 189 LYS CE . 25276 1 417 . 1 1 41 41 LYS N N 15 123.8880 0.2 . 1 . . . A 189 LYS N . 25276 1 418 . 1 1 42 42 PRO HA H 1 4.4170 0.02 . 1 . . . A 190 PRO HA . 25276 1 419 . 1 1 42 42 PRO HB2 H 1 2.3080 0.02 . 2 . . . A 190 PRO HB2 . 25276 1 420 . 1 1 42 42 PRO HB3 H 1 2.3080 0.02 . 2 . . . A 190 PRO HB3 . 25276 1 421 . 1 1 42 42 PRO HG2 H 1 2.0370 0.02 . 2 . . . A 190 PRO HG2 . 25276 1 422 . 1 1 42 42 PRO HG3 H 1 2.0370 0.02 . 2 . . . A 190 PRO HG3 . 25276 1 423 . 1 1 42 42 PRO HD2 H 1 3.8450 0.02 . 2 . . . A 190 PRO HD2 . 25276 1 424 . 1 1 42 42 PRO HD3 H 1 3.6600 0.02 . 2 . . . A 190 PRO HD3 . 25276 1 425 . 1 1 42 42 PRO CA C 13 63.1840 0.3 . 1 . . . A 190 PRO CA . 25276 1 426 . 1 1 42 42 PRO CB C 13 32.1410 0.3 . 1 . . . A 190 PRO CB . 25276 1 427 . 1 1 42 42 PRO CG C 13 27.4060 0.3 . 1 . . . A 190 PRO CG . 25276 1 428 . 1 1 42 42 PRO CD C 13 50.6960 0.3 . 1 . . . A 190 PRO CD . 25276 1 429 . 1 1 43 43 ALA H H 1 8.3650 0.02 . 1 . . . A 191 ALA H . 25276 1 430 . 1 1 43 43 ALA HB1 H 1 1.4020 0.02 . 1 . . . A 191 ALA HB1 . 25276 1 431 . 1 1 43 43 ALA HB2 H 1 1.4020 0.02 . 1 . . . A 191 ALA HB2 . 25276 1 432 . 1 1 43 43 ALA HB3 H 1 1.4020 0.02 . 1 . . . A 191 ALA HB3 . 25276 1 433 . 1 1 43 43 ALA C C 13 176.6050 0.3 . 1 . . . A 191 ALA C . 25276 1 434 . 1 1 43 43 ALA CA C 13 52.2090 0.3 . 1 . . . A 191 ALA CA . 25276 1 435 . 1 1 43 43 ALA CB C 13 19.1980 0.3 . 1 . . . A 191 ALA CB . 25276 1 436 . 1 1 43 43 ALA N N 15 125.2030 0.2 . 1 . . . A 191 ALA N . 25276 1 437 . 1 1 44 44 LEU H H 1 7.7880 0.02 . 1 . . . A 192 LEU H . 25276 1 438 . 1 1 44 44 LEU HA H 1 4.1860 0.02 . 1 . . . A 192 LEU HA . 25276 1 439 . 1 1 44 44 LEU HB2 H 1 1.5800 0.02 . 2 . . . A 192 LEU HB2 . 25276 1 440 . 1 1 44 44 LEU HB3 H 1 1.5800 0.02 . 2 . . . A 192 LEU HB3 . 25276 1 441 . 1 1 44 44 LEU HG H 1 1.5930 0.02 . 1 . . . A 192 LEU HG . 25276 1 442 . 1 1 44 44 LEU HD11 H 1 0.8690 0.02 . 2 . . . A 192 LEU HD11 . 25276 1 443 . 1 1 44 44 LEU HD12 H 1 0.8690 0.02 . 2 . . . A 192 LEU HD12 . 25276 1 444 . 1 1 44 44 LEU HD13 H 1 0.8690 0.02 . 2 . . . A 192 LEU HD13 . 25276 1 445 . 1 1 44 44 LEU HD21 H 1 0.9070 0.02 . 2 . . . A 192 LEU HD21 . 25276 1 446 . 1 1 44 44 LEU HD22 H 1 0.9070 0.02 . 2 . . . A 192 LEU HD22 . 25276 1 447 . 1 1 44 44 LEU HD23 H 1 0.9070 0.02 . 2 . . . A 192 LEU HD23 . 25276 1 448 . 1 1 44 44 LEU CA C 13 56.6830 0.3 . 1 . . . A 192 LEU CA . 25276 1 449 . 1 1 44 44 LEU CB C 13 43.5350 0.3 . 1 . . . A 192 LEU CB . 25276 1 450 . 1 1 44 44 LEU CG C 13 27.2680 0.3 . 1 . . . A 192 LEU CG . 25276 1 451 . 1 1 44 44 LEU CD1 C 13 23.7080 0.3 . 2 . . . A 192 LEU CD1 . 25276 1 452 . 1 1 44 44 LEU CD2 C 13 25.1640 0.3 . 2 . . . A 192 LEU CD2 . 25276 1 453 . 1 1 44 44 LEU N N 15 127.4340 0.2 . 1 . . . A 192 LEU N . 25276 1 stop_ save_