data_25275 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25275 _Entry.Title ; Solution structure of eEF1Bdelta CAR domain ; _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 . . . 25275 2 Yingang Feng . . . 25275 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' . 25275 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GUANINE NUCLEOTIDE EXCHANGE FACTOR' . 25275 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25275 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 173 25275 '15N chemical shifts' 44 25275 '1H chemical shifts' 274 25275 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' 25275 1 . . 2015-02-02 2014-10-09 original author 'original release' 25275 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25276 'eEF1Bdelta CAR domain' 25275 PDB 2MVN 'BMRB Entry Tracking System' 25275 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25275 _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 . . . 25275 1 2 Weibin Gong . . . 25275 1 3 Xingzhe Yao . . . 25275 1 4 Jinfeng Wang . . . 25275 1 5 Sarah Perrett . . . 25275 1 6 Yingang Feng . . . 25275 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25275 _Assembly.ID 1 _Assembly.Name 'eEF1Bdelta CAR domain' _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 . . . 25275 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25275 _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 25276 . entity . . . . . 100.00 44 100.00 100.00 2.39e-20 . . . . 25275 1 2 no PDB 2MVM . "Solution Structure Of Eef1bdelta Car Domain" . . . . . 100.00 44 100.00 100.00 2.39e-20 . . . . 25275 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 . . . . 25275 1 4 no DBJ BAB14925 . "unnamed protein product [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 5.16e-11 . . . . 25275 1 5 no DBJ BAE01260 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.27 669 100.00 100.00 3.92e-11 . . . . 25275 1 6 no DBJ BAE02383 . "unnamed protein product [Macaca fascicularis]" . . . . . 77.27 669 100.00 100.00 3.92e-11 . . . . 25275 1 7 no DBJ BAG36963 . "unnamed protein product [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 5.21e-11 . . . . 25275 1 8 no DBJ BAG56855 . "unnamed protein product [Homo sapiens]" . . . . . 77.27 262 100.00 100.00 5.11e-12 . . . . 25275 1 9 no EMBL CAA79716 . "human elongation factor-1-delta [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25275 1 10 no GB AAH00678 . "EEF1D protein, partial [Homo sapiens]" . . . . . 77.27 550 100.00 100.00 3.26e-11 . . . . 25275 1 11 no GB AAH07847 . "EEF1D protein [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 4.97e-11 . . . . 25275 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 . . . . 25275 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 . . . . 25275 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 . . . . 25275 1 15 no REF NP_001123525 . "elongation factor 1-delta isoform 1 [Homo sapiens]" . . . . . 77.27 647 100.00 100.00 4.97e-11 . . . . 25275 1 16 no REF NP_001123527 . "elongation factor 1-delta isoform 2 [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25275 1 17 no REF NP_001123528 . "elongation factor 1-delta isoform 4 [Homo sapiens]" . . . . . 77.27 257 100.00 100.00 4.03e-12 . . . . 25275 1 18 no REF NP_001123529 . "elongation factor 1-delta isoform 2 [Homo sapiens]" . . . . . 77.27 281 100.00 100.00 5.50e-12 . . . . 25275 1 19 no REF NP_001182132 . "elongation factor 1-delta isoform 5 [Homo sapiens]" . . . . . 77.27 262 100.00 100.00 4.81e-12 . . . . 25275 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 . . . . 25275 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 . . . . 25275 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 . 25275 1 2 150 PRO . 25275 1 3 151 GLY . 25275 1 4 152 SER . 25275 1 5 153 GLU . 25275 1 6 154 ASP . 25275 1 7 155 ASP . 25275 1 8 156 ASP . 25275 1 9 157 ILE . 25275 1 10 158 ASP . 25275 1 11 159 LEU . 25275 1 12 160 PHE . 25275 1 13 161 GLY . 25275 1 14 162 SER . 25275 1 15 163 ASP . 25275 1 16 164 ASN . 25275 1 17 165 GLU . 25275 1 18 166 GLU . 25275 1 19 167 GLU . 25275 1 20 168 ASP . 25275 1 21 169 LYS . 25275 1 22 170 GLU . 25275 1 23 171 ALA . 25275 1 24 172 ALA . 25275 1 25 173 GLN . 25275 1 26 174 LEU . 25275 1 27 175 ARG . 25275 1 28 176 GLU . 25275 1 29 177 GLU . 25275 1 30 178 ARG . 25275 1 31 179 LEU . 25275 1 32 180 ARG . 25275 1 33 181 GLN . 25275 1 34 182 TYR . 25275 1 35 183 ALA . 25275 1 36 184 GLU . 25275 1 37 185 LYS . 25275 1 38 186 LYS . 25275 1 39 187 ALA . 25275 1 40 188 LYS . 25275 1 41 189 LYS . 25275 1 42 190 PRO . 25275 1 43 191 ALA . 25275 1 44 192 LEU . 25275 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 25275 1 . PRO 2 2 25275 1 . GLY 3 3 25275 1 . SER 4 4 25275 1 . GLU 5 5 25275 1 . ASP 6 6 25275 1 . ASP 7 7 25275 1 . ASP 8 8 25275 1 . ILE 9 9 25275 1 . ASP 10 10 25275 1 . LEU 11 11 25275 1 . PHE 12 12 25275 1 . GLY 13 13 25275 1 . SER 14 14 25275 1 . ASP 15 15 25275 1 . ASN 16 16 25275 1 . GLU 17 17 25275 1 . GLU 18 18 25275 1 . GLU 19 19 25275 1 . ASP 20 20 25275 1 . LYS 21 21 25275 1 . GLU 22 22 25275 1 . ALA 23 23 25275 1 . ALA 24 24 25275 1 . GLN 25 25 25275 1 . LEU 26 26 25275 1 . ARG 27 27 25275 1 . GLU 28 28 25275 1 . GLU 29 29 25275 1 . ARG 30 30 25275 1 . LEU 31 31 25275 1 . ARG 32 32 25275 1 . GLN 33 33 25275 1 . TYR 34 34 25275 1 . ALA 35 35 25275 1 . GLU 36 36 25275 1 . LYS 37 37 25275 1 . LYS 38 38 25275 1 . ALA 39 39 25275 1 . LYS 40 40 25275 1 . LYS 41 41 25275 1 . PRO 42 42 25275 1 . ALA 43 43 25275 1 . LEU 44 44 25275 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 25275 _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 . . . . . . . . . . . . . 25275 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 25275 _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 . . . 25275 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25275 _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 . . . .02 .08 mM . . . . 25275 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25275 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25275 1 4 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 25275 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25275 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25275 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 25275 _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 25275 1 pH 7.5 . pH 25275 1 pressure 1 . atm 25275 1 temperature 298 . K 25275 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 25275 _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' . . 25275 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25275 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25275 _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.' . . 25275 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25275 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25275 _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' . . 25275 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25275 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25275 _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' . . 25275 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25275 4 'data analysis' 25275 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25275 _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' . . 25275 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25275 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25275 _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' . . 25275 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25275 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 25275 _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 25275 _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 . . . 25275 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 25275 _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 . . . . . . . . . . . . . . . . 25275 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 11 '3D CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25275 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 25275 _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 . . . . . . . . . 25275 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25275 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25275 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 25275 _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' . . . 25275 1 2 '2D 1H-13C HSQC' . . . 25275 1 3 '3D HNCACB' . . . 25275 1 4 '3D CBCA(CO)NH' . . . 25275 1 5 '3D HNCO' . . . 25275 1 6 '3D HN(CA)CO' . . . 25275 1 7 '3D HBHA(CO)NH' . . . 25275 1 8 '3D HBHANH' . . . 25275 1 9 '3D HCCH-TOCSY' . . . 25275 1 10 '3D CCH-TOCSY' . . . 25275 1 11 '3D CCH-COSY' . . . 25275 1 12 '3D 1H-15N NOESY' . . . 25275 1 13 '3D 1H-13C NOESY' . . . 25275 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 4.4750 0.02 . 1 . . . A 150 PRO HA . 25275 1 2 . 1 1 2 2 PRO HB2 H 1 1.9880 0.02 . 2 . . . A 150 PRO HB2 . 25275 1 3 . 1 1 2 2 PRO HB3 H 1 2.3150 0.02 . 2 . . . A 150 PRO HB3 . 25275 1 4 . 1 1 2 2 PRO C C 13 177.5720 0.3 . 1 . . . A 150 PRO C . 25275 1 5 . 1 1 2 2 PRO CA C 13 63.5200 0.3 . 1 . . . A 150 PRO CA . 25275 1 6 . 1 1 2 2 PRO CB C 13 32.1920 0.3 . 1 . . . A 150 PRO CB . 25275 1 7 . 1 1 3 3 GLY H H 1 8.7730 0.02 . 1 . . . A 151 GLY H . 25275 1 8 . 1 1 3 3 GLY HA2 H 1 4.0360 0.02 . 2 . . . A 151 GLY HA2 . 25275 1 9 . 1 1 3 3 GLY HA3 H 1 4.0360 0.02 . 2 . . . A 151 GLY HA3 . 25275 1 10 . 1 1 3 3 GLY C C 13 174.3660 0.3 . 1 . . . A 151 GLY C . 25275 1 11 . 1 1 3 3 GLY CA C 13 45.2380 0.3 . 1 . . . A 151 GLY CA . 25275 1 12 . 1 1 3 3 GLY N N 15 111.1460 0.2 . 1 . . . A 151 GLY N . 25275 1 13 . 1 1 4 4 SER H H 1 8.2440 0.02 . 1 . . . A 152 SER H . 25275 1 14 . 1 1 4 4 SER HA H 1 4.5180 0.02 . 1 . . . A 152 SER HA . 25275 1 15 . 1 1 4 4 SER HB2 H 1 3.9080 0.02 . 2 . . . A 152 SER HB2 . 25275 1 16 . 1 1 4 4 SER HB3 H 1 3.9080 0.02 . 2 . . . A 152 SER HB3 . 25275 1 17 . 1 1 4 4 SER C C 13 174.3550 0.3 . 1 . . . A 152 SER C . 25275 1 18 . 1 1 4 4 SER CA C 13 58.3110 0.3 . 1 . . . A 152 SER CA . 25275 1 19 . 1 1 4 4 SER CB C 13 64.0100 0.3 . 1 . . . A 152 SER CB . 25275 1 20 . 1 1 4 4 SER N N 15 115.8710 0.2 . 1 . . . A 152 SER N . 25275 1 21 . 1 1 5 5 GLU H H 1 8.7220 0.02 . 1 . . . A 153 GLU H . 25275 1 22 . 1 1 5 5 GLU HA H 1 4.3090 0.02 . 1 . . . A 153 GLU HA . 25275 1 23 . 1 1 5 5 GLU HB2 H 1 2.0920 0.02 . 2 . . . A 153 GLU HB2 . 25275 1 24 . 1 1 5 5 GLU HB3 H 1 1.9310 0.02 . 2 . . . A 153 GLU HB3 . 25275 1 25 . 1 1 5 5 GLU HG2 H 1 2.2770 0.02 . 2 . . . A 153 GLU HG2 . 25275 1 26 . 1 1 5 5 GLU HG3 H 1 2.2770 0.02 . 2 . . . A 153 GLU HG3 . 25275 1 27 . 1 1 5 5 GLU C C 13 176.4970 0.3 . 1 . . . A 153 GLU C . 25275 1 28 . 1 1 5 5 GLU CA C 13 57.1080 0.3 . 1 . . . A 153 GLU CA . 25275 1 29 . 1 1 5 5 GLU CB C 13 29.8660 0.3 . 1 . . . A 153 GLU CB . 25275 1 30 . 1 1 5 5 GLU CG C 13 36.2690 0.3 . 1 . . . A 153 GLU CG . 25275 1 31 . 1 1 5 5 GLU N N 15 122.6470 0.2 . 1 . . . A 153 GLU N . 25275 1 32 . 1 1 6 6 ASP H H 1 8.2610 0.02 . 1 . . . A 154 ASP H . 25275 1 33 . 1 1 6 6 ASP HA H 1 4.5950 0.02 . 1 . . . A 154 ASP HA . 25275 1 34 . 1 1 6 6 ASP HB2 H 1 2.5760 0.02 . 2 . . . A 154 ASP HB2 . 25275 1 35 . 1 1 6 6 ASP HB3 H 1 2.7020 0.02 . 2 . . . A 154 ASP HB3 . 25275 1 36 . 1 1 6 6 ASP C C 13 176.0550 0.3 . 1 . . . A 154 ASP C . 25275 1 37 . 1 1 6 6 ASP CA C 13 54.6420 0.3 . 1 . . . A 154 ASP CA . 25275 1 38 . 1 1 6 6 ASP CB C 13 41.2530 0.3 . 1 . . . A 154 ASP CB . 25275 1 39 . 1 1 6 6 ASP N N 15 120.2600 0.2 . 1 . . . A 154 ASP N . 25275 1 40 . 1 1 7 7 ASP H H 1 8.1600 0.02 . 1 . . . A 155 ASP H . 25275 1 41 . 1 1 7 7 ASP HA H 1 4.5560 0.02 . 1 . . . A 155 ASP HA . 25275 1 42 . 1 1 7 7 ASP HB2 H 1 2.6260 0.02 . 2 . . . A 155 ASP HB2 . 25275 1 43 . 1 1 7 7 ASP HB3 H 1 2.6260 0.02 . 2 . . . A 155 ASP HB3 . 25275 1 44 . 1 1 7 7 ASP C C 13 176.1370 0.3 . 1 . . . A 155 ASP C . 25275 1 45 . 1 1 7 7 ASP CA C 13 54.6570 0.3 . 1 . . . A 155 ASP CA . 25275 1 46 . 1 1 7 7 ASP CB C 13 41.3680 0.3 . 1 . . . A 155 ASP CB . 25275 1 47 . 1 1 7 7 ASP N N 15 120.3950 0.2 . 1 . . . A 155 ASP N . 25275 1 48 . 1 1 8 8 ASP H H 1 8.2820 0.02 . 1 . . . A 156 ASP H . 25275 1 49 . 1 1 8 8 ASP HA H 1 4.6060 0.02 . 1 . . . A 156 ASP HA . 25275 1 50 . 1 1 8 8 ASP HB2 H 1 2.6920 0.02 . 2 . . . A 156 ASP HB2 . 25275 1 51 . 1 1 8 8 ASP HB3 H 1 2.5950 0.02 . 2 . . . A 156 ASP HB3 . 25275 1 52 . 1 1 8 8 ASP C C 13 176.2500 0.3 . 1 . . . A 156 ASP C . 25275 1 53 . 1 1 8 8 ASP CA C 13 54.5790 0.3 . 1 . . . A 156 ASP CA . 25275 1 54 . 1 1 8 8 ASP CB C 13 41.1600 0.3 . 1 . . . A 156 ASP CB . 25275 1 55 . 1 1 8 8 ASP N N 15 120.6120 0.2 . 1 . . . A 156 ASP N . 25275 1 56 . 1 1 9 9 ILE H H 1 7.9220 0.02 . 1 . . . A 157 ILE H . 25275 1 57 . 1 1 9 9 ILE HA H 1 4.1000 0.02 . 1 . . . A 157 ILE HA . 25275 1 58 . 1 1 9 9 ILE HB H 1 1.8440 0.02 . 1 . . . A 157 ILE HB . 25275 1 59 . 1 1 9 9 ILE HG12 H 1 1.4230 0.02 . 2 . . . A 157 ILE HG12 . 25275 1 60 . 1 1 9 9 ILE HG13 H 1 1.1540 0.02 . 2 . . . A 157 ILE HG13 . 25275 1 61 . 1 1 9 9 ILE HG21 H 1 0.8610 0.02 . 1 . . . A 157 ILE HG21 . 25275 1 62 . 1 1 9 9 ILE HG22 H 1 0.8610 0.02 . 1 . . . A 157 ILE HG22 . 25275 1 63 . 1 1 9 9 ILE HG23 H 1 0.8610 0.02 . 1 . . . A 157 ILE HG23 . 25275 1 64 . 1 1 9 9 ILE HD11 H 1 0.8500 0.02 . 1 . . . A 157 ILE HD11 . 25275 1 65 . 1 1 9 9 ILE HD12 H 1 0.8500 0.02 . 1 . . . A 157 ILE HD12 . 25275 1 66 . 1 1 9 9 ILE HD13 H 1 0.8500 0.02 . 1 . . . A 157 ILE HD13 . 25275 1 67 . 1 1 9 9 ILE C C 13 175.9700 0.3 . 1 . . . A 157 ILE C . 25275 1 68 . 1 1 9 9 ILE CA C 13 61.5830 0.3 . 1 . . . A 157 ILE CA . 25275 1 69 . 1 1 9 9 ILE CB C 13 39.0230 0.3 . 1 . . . A 157 ILE CB . 25275 1 70 . 1 1 9 9 ILE CG1 C 13 27.3890 0.3 . 1 . . . A 157 ILE CG1 . 25275 1 71 . 1 1 9 9 ILE CG2 C 13 17.5400 0.3 . 1 . . . A 157 ILE CG2 . 25275 1 72 . 1 1 9 9 ILE CD1 C 13 13.2660 0.3 . 1 . . . A 157 ILE CD1 . 25275 1 73 . 1 1 9 9 ILE N N 15 120.4930 0.2 . 1 . . . A 157 ILE N . 25275 1 74 . 1 1 10 10 ASP H H 1 8.3700 0.02 . 1 . . . A 158 ASP H . 25275 1 75 . 1 1 10 10 ASP HA H 1 4.5800 0.02 . 1 . . . A 158 ASP HA . 25275 1 76 . 1 1 10 10 ASP HB2 H 1 2.5630 0.02 . 2 . . . A 158 ASP HB2 . 25275 1 77 . 1 1 10 10 ASP HB3 H 1 2.6460 0.02 . 2 . . . A 158 ASP HB3 . 25275 1 78 . 1 1 10 10 ASP C C 13 176.3890 0.3 . 1 . . . A 158 ASP C . 25275 1 79 . 1 1 10 10 ASP CA C 13 54.3530 0.3 . 1 . . . A 158 ASP CA . 25275 1 80 . 1 1 10 10 ASP CB C 13 41.0600 0.3 . 1 . . . A 158 ASP CB . 25275 1 81 . 1 1 10 10 ASP N N 15 123.9400 0.2 . 1 . . . A 158 ASP N . 25275 1 82 . 1 1 11 11 LEU H H 1 8.0960 0.02 . 1 . . . A 159 LEU H . 25275 1 83 . 1 1 11 11 LEU HA H 1 4.1860 0.02 . 1 . . . A 159 LEU HA . 25275 1 84 . 1 1 11 11 LEU HB2 H 1 1.3090 0.02 . 2 . . . A 159 LEU HB2 . 25275 1 85 . 1 1 11 11 LEU HB3 H 1 1.3920 0.02 . 2 . . . A 159 LEU HB3 . 25275 1 86 . 1 1 11 11 LEU HG H 1 1.4490 0.02 . 1 . . . A 159 LEU HG . 25275 1 87 . 1 1 11 11 LEU HD11 H 1 0.8330 0.02 . 2 . . . A 159 LEU HD11 . 25275 1 88 . 1 1 11 11 LEU HD12 H 1 0.8330 0.02 . 2 . . . A 159 LEU HD12 . 25275 1 89 . 1 1 11 11 LEU HD13 H 1 0.8330 0.02 . 2 . . . A 159 LEU HD13 . 25275 1 90 . 1 1 11 11 LEU HD21 H 1 0.7570 0.02 . 2 . . . A 159 LEU HD21 . 25275 1 91 . 1 1 11 11 LEU HD22 H 1 0.7570 0.02 . 2 . . . A 159 LEU HD22 . 25275 1 92 . 1 1 11 11 LEU HD23 H 1 0.7570 0.02 . 2 . . . A 159 LEU HD23 . 25275 1 93 . 1 1 11 11 LEU C C 13 177.4730 0.3 . 1 . . . A 159 LEU C . 25275 1 94 . 1 1 11 11 LEU CA C 13 55.4640 0.3 . 1 . . . A 159 LEU CA . 25275 1 95 . 1 1 11 11 LEU CB C 13 42.2520 0.3 . 1 . . . A 159 LEU CB . 25275 1 96 . 1 1 11 11 LEU CG C 13 26.7290 0.3 . 1 . . . A 159 LEU CG . 25275 1 97 . 1 1 11 11 LEU CD1 C 13 24.8820 0.3 . 2 . . . A 159 LEU CD1 . 25275 1 98 . 1 1 11 11 LEU CD2 C 13 23.3730 0.3 . 2 . . . A 159 LEU CD2 . 25275 1 99 . 1 1 11 11 LEU N N 15 123.0210 0.2 . 1 . . . A 159 LEU N . 25275 1 100 . 1 1 12 12 PHE H H 1 8.2030 0.02 . 1 . . . A 160 PHE H . 25275 1 101 . 1 1 12 12 PHE HA H 1 4.6080 0.02 . 1 . . . A 160 PHE HA . 25275 1 102 . 1 1 12 12 PHE HB2 H 1 3.0280 0.02 . 2 . . . A 160 PHE HB2 . 25275 1 103 . 1 1 12 12 PHE HB3 H 1 3.2500 0.02 . 2 . . . A 160 PHE HB3 . 25275 1 104 . 1 1 12 12 PHE C C 13 176.5330 0.3 . 1 . . . A 160 PHE C . 25275 1 105 . 1 1 12 12 PHE CA C 13 58.0000 0.3 . 1 . . . A 160 PHE CA . 25275 1 106 . 1 1 12 12 PHE CB C 13 39.4560 0.3 . 1 . . . A 160 PHE CB . 25275 1 107 . 1 1 12 12 PHE N N 15 119.5520 0.2 . 1 . . . A 160 PHE N . 25275 1 108 . 1 1 13 13 GLY H H 1 8.2520 0.02 . 1 . . . A 161 GLY H . 25275 1 109 . 1 1 13 13 GLY HA2 H 1 3.9610 0.02 . 2 . . . A 161 GLY HA2 . 25275 1 110 . 1 1 13 13 GLY HA3 H 1 3.9610 0.02 . 2 . . . A 161 GLY HA3 . 25275 1 111 . 1 1 13 13 GLY C C 13 174.2390 0.3 . 1 . . . A 161 GLY C . 25275 1 112 . 1 1 13 13 GLY CA C 13 45.5270 0.3 . 1 . . . A 161 GLY CA . 25275 1 113 . 1 1 13 13 GLY N N 15 110.2030 0.2 . 1 . . . A 161 GLY N . 25275 1 114 . 1 1 14 14 SER H H 1 8.2640 0.02 . 1 . . . A 162 SER H . 25275 1 115 . 1 1 14 14 SER HA H 1 4.4840 0.02 . 1 . . . A 162 SER HA . 25275 1 116 . 1 1 14 14 SER HB2 H 1 3.8700 0.02 . 2 . . . A 162 SER HB2 . 25275 1 117 . 1 1 14 14 SER HB3 H 1 3.8700 0.02 . 2 . . . A 162 SER HB3 . 25275 1 118 . 1 1 14 14 SER C C 13 174.4000 0.3 . 1 . . . A 162 SER C . 25275 1 119 . 1 1 14 14 SER CA C 13 58.3370 0.3 . 1 . . . A 162 SER CA . 25275 1 120 . 1 1 14 14 SER CB C 13 64.0000 0.3 . 1 . . . A 162 SER CB . 25275 1 121 . 1 1 14 14 SER N N 15 115.6120 0.2 . 1 . . . A 162 SER N . 25275 1 122 . 1 1 15 15 ASP H H 1 8.5060 0.02 . 1 . . . A 163 ASP H . 25275 1 123 . 1 1 15 15 ASP HA H 1 4.6130 0.02 . 1 . . . A 163 ASP HA . 25275 1 124 . 1 1 15 15 ASP HB2 H 1 2.6660 0.02 . 2 . . . A 163 ASP HB2 . 25275 1 125 . 1 1 15 15 ASP HB3 H 1 2.6660 0.02 . 2 . . . A 163 ASP HB3 . 25275 1 126 . 1 1 15 15 ASP C C 13 175.9730 0.3 . 1 . . . A 163 ASP C . 25275 1 127 . 1 1 15 15 ASP CA C 13 54.5190 0.3 . 1 . . . A 163 ASP CA . 25275 1 128 . 1 1 15 15 ASP CB C 13 41.0590 0.3 . 1 . . . A 163 ASP CB . 25275 1 129 . 1 1 15 15 ASP N N 15 122.1500 0.2 . 1 . . . A 163 ASP N . 25275 1 130 . 1 1 16 16 ASN H H 1 8.3410 0.02 . 1 . . . A 164 ASN H . 25275 1 131 . 1 1 16 16 ASN HA H 1 4.7080 0.02 . 1 . . . A 164 ASN HA . 25275 1 132 . 1 1 16 16 ASN HB2 H 1 2.8370 0.02 . 2 . . . A 164 ASN HB2 . 25275 1 133 . 1 1 16 16 ASN HB3 H 1 2.7200 0.02 . 2 . . . A 164 ASN HB3 . 25275 1 134 . 1 1 16 16 ASN HD21 H 1 6.9210 0.02 . 2 . . . A 164 ASN HD21 . 25275 1 135 . 1 1 16 16 ASN HD22 H 1 7.6060 0.02 . 2 . . . A 164 ASN HD22 . 25275 1 136 . 1 1 16 16 ASN C C 13 175.2980 0.3 . 1 . . . A 164 ASN C . 25275 1 137 . 1 1 16 16 ASN CA C 13 53.4620 0.3 . 1 . . . A 164 ASN CA . 25275 1 138 . 1 1 16 16 ASN CB C 13 39.1870 0.3 . 1 . . . A 164 ASN CB . 25275 1 139 . 1 1 16 16 ASN N N 15 118.7680 0.2 . 1 . . . A 164 ASN N . 25275 1 140 . 1 1 16 16 ASN ND2 N 15 113.1810 0.2 . 1 . . . A 164 ASN ND2 . 25275 1 141 . 1 1 17 17 GLU H H 1 8.4580 0.02 . 1 . . . A 165 GLU H . 25275 1 142 . 1 1 17 17 GLU HA H 1 4.2440 0.02 . 1 . . . A 165 GLU HA . 25275 1 143 . 1 1 17 17 GLU HB2 H 1 1.9600 0.02 . 2 . . . A 165 GLU HB2 . 25275 1 144 . 1 1 17 17 GLU HB3 H 1 2.0610 0.02 . 2 . . . A 165 GLU HB3 . 25275 1 145 . 1 1 17 17 GLU HG2 H 1 2.2730 0.02 . 2 . . . A 165 GLU HG2 . 25275 1 146 . 1 1 17 17 GLU HG3 H 1 2.2730 0.02 . 2 . . . A 165 GLU HG3 . 25275 1 147 . 1 1 17 17 GLU C C 13 176.8040 0.3 . 1 . . . A 165 GLU C . 25275 1 148 . 1 1 17 17 GLU CA C 13 57.1360 0.3 . 1 . . . A 165 GLU CA . 25275 1 149 . 1 1 17 17 GLU CB C 13 30.2110 0.3 . 1 . . . A 165 GLU CB . 25275 1 150 . 1 1 17 17 GLU CG C 13 36.2920 0.3 . 1 . . . A 165 GLU CG . 25275 1 151 . 1 1 17 17 GLU N N 15 121.5250 0.2 . 1 . . . A 165 GLU N . 25275 1 152 . 1 1 18 18 GLU H H 1 8.4100 0.02 . 1 . . . A 166 GLU H . 25275 1 153 . 1 1 18 18 GLU HA H 1 4.2440 0.02 . 1 . . . A 166 GLU HA . 25275 1 154 . 1 1 18 18 GLU HB2 H 1 2.0510 0.02 . 2 . . . A 166 GLU HB2 . 25275 1 155 . 1 1 18 18 GLU HB3 H 1 1.9420 0.02 . 2 . . . A 166 GLU HB3 . 25275 1 156 . 1 1 18 18 GLU HG2 H 1 2.2660 0.02 . 2 . . . A 166 GLU HG2 . 25275 1 157 . 1 1 18 18 GLU HG3 H 1 2.2660 0.02 . 2 . . . A 166 GLU HG3 . 25275 1 158 . 1 1 18 18 GLU C C 13 176.7810 0.3 . 1 . . . A 166 GLU C . 25275 1 159 . 1 1 18 18 GLU CA C 13 57.1640 0.3 . 1 . . . A 166 GLU CA . 25275 1 160 . 1 1 18 18 GLU CB C 13 30.4070 0.3 . 1 . . . A 166 GLU CB . 25275 1 161 . 1 1 18 18 GLU CG C 13 36.3760 0.3 . 1 . . . A 166 GLU CG . 25275 1 162 . 1 1 18 18 GLU N N 15 121.2850 0.2 . 1 . . . A 166 GLU N . 25275 1 163 . 1 1 19 19 GLU H H 1 8.3510 0.02 . 1 . . . A 167 GLU H . 25275 1 164 . 1 1 19 19 GLU HA H 1 4.2170 0.02 . 1 . . . A 167 GLU HA . 25275 1 165 . 1 1 19 19 GLU HB2 H 1 1.9960 0.02 . 2 . . . A 167 GLU HB2 . 25275 1 166 . 1 1 19 19 GLU HB3 H 1 1.9960 0.02 . 2 . . . A 167 GLU HB3 . 25275 1 167 . 1 1 19 19 GLU HG2 H 1 2.2780 0.02 . 2 . . . A 167 GLU HG2 . 25275 1 168 . 1 1 19 19 GLU HG3 H 1 2.2780 0.02 . 2 . . . A 167 GLU HG3 . 25275 1 169 . 1 1 19 19 GLU C C 13 176.4970 0.3 . 1 . . . A 167 GLU C . 25275 1 170 . 1 1 19 19 GLU CA C 13 57.1870 0.3 . 1 . . . A 167 GLU CA . 25275 1 171 . 1 1 19 19 GLU CB C 13 30.5030 0.3 . 1 . . . A 167 GLU CB . 25275 1 172 . 1 1 19 19 GLU CG C 13 36.3300 0.3 . 1 . . . A 167 GLU CG . 25275 1 173 . 1 1 19 19 GLU N N 15 122.0260 0.2 . 1 . . . A 167 GLU N . 25275 1 174 . 1 1 20 20 ASP H H 1 8.3740 0.02 . 1 . . . A 168 ASP H . 25275 1 175 . 1 1 20 20 ASP HA H 1 4.6160 0.02 . 1 . . . A 168 ASP HA . 25275 1 176 . 1 1 20 20 ASP HB2 H 1 2.7620 0.02 . 2 . . . A 168 ASP HB2 . 25275 1 177 . 1 1 20 20 ASP HB3 H 1 2.7620 0.02 . 2 . . . A 168 ASP HB3 . 25275 1 178 . 1 1 20 20 ASP C C 13 176.8840 0.3 . 1 . . . A 168 ASP C . 25275 1 179 . 1 1 20 20 ASP CA C 13 54.3040 0.3 . 1 . . . A 168 ASP CA . 25275 1 180 . 1 1 20 20 ASP CB C 13 41.3630 0.3 . 1 . . . A 168 ASP CB . 25275 1 181 . 1 1 20 20 ASP N N 15 121.9510 0.2 . 1 . . . A 168 ASP N . 25275 1 182 . 1 1 21 21 LYS H H 1 8.4090 0.02 . 1 . . . A 169 LYS H . 25275 1 183 . 1 1 21 21 LYS HA H 1 4.1390 0.02 . 1 . . . A 169 LYS HA . 25275 1 184 . 1 1 21 21 LYS HB2 H 1 1.8710 0.02 . 2 . . . A 169 LYS HB2 . 25275 1 185 . 1 1 21 21 LYS HB3 H 1 1.8710 0.02 . 2 . . . A 169 LYS HB3 . 25275 1 186 . 1 1 21 21 LYS HG2 H 1 1.5130 0.02 . 2 . . . A 169 LYS HG2 . 25275 1 187 . 1 1 21 21 LYS HG3 H 1 1.4440 0.02 . 2 . . . A 169 LYS HG3 . 25275 1 188 . 1 1 21 21 LYS HD2 H 1 1.6900 0.02 . 2 . . . A 169 LYS HD2 . 25275 1 189 . 1 1 21 21 LYS HD3 H 1 1.6900 0.02 . 2 . . . A 169 LYS HD3 . 25275 1 190 . 1 1 21 21 LYS HE2 H 1 3.0080 0.02 . 2 . . . A 169 LYS HE2 . 25275 1 191 . 1 1 21 21 LYS HE3 H 1 3.0080 0.02 . 2 . . . A 169 LYS HE3 . 25275 1 192 . 1 1 21 21 LYS C C 13 178.3040 0.3 . 1 . . . A 169 LYS C . 25275 1 193 . 1 1 21 21 LYS CA C 13 58.3780 0.3 . 1 . . . A 169 LYS CA . 25275 1 194 . 1 1 21 21 LYS CB C 13 32.5560 0.3 . 1 . . . A 169 LYS CB . 25275 1 195 . 1 1 21 21 LYS CG C 13 24.8720 0.3 . 1 . . . A 169 LYS CG . 25275 1 196 . 1 1 21 21 LYS CD C 13 29.1270 0.3 . 1 . . . A 169 LYS CD . 25275 1 197 . 1 1 21 21 LYS CE C 13 42.1870 0.3 . 1 . . . A 169 LYS CE . 25275 1 198 . 1 1 21 21 LYS N N 15 123.1590 0.2 . 1 . . . A 169 LYS N . 25275 1 199 . 1 1 22 22 GLU H H 1 8.3510 0.02 . 1 . . . A 170 GLU H . 25275 1 200 . 1 1 22 22 GLU HA H 1 4.1390 0.02 . 1 . . . A 170 GLU HA . 25275 1 201 . 1 1 22 22 GLU HB2 H 1 2.0860 0.02 . 2 . . . A 170 GLU HB2 . 25275 1 202 . 1 1 22 22 GLU HB3 H 1 2.0860 0.02 . 2 . . . A 170 GLU HB3 . 25275 1 203 . 1 1 22 22 GLU HG2 H 1 2.2890 0.02 . 2 . . . A 170 GLU HG2 . 25275 1 204 . 1 1 22 22 GLU HG3 H 1 2.2890 0.02 . 2 . . . A 170 GLU HG3 . 25275 1 205 . 1 1 22 22 GLU C C 13 178.1060 0.3 . 1 . . . A 170 GLU C . 25275 1 206 . 1 1 22 22 GLU CA C 13 58.3080 0.3 . 1 . . . A 170 GLU CA . 25275 1 207 . 1 1 22 22 GLU CB C 13 29.5250 0.3 . 1 . . . A 170 GLU CB . 25275 1 208 . 1 1 22 22 GLU CG C 13 36.3610 0.3 . 1 . . . A 170 GLU CG . 25275 1 209 . 1 1 22 22 GLU N N 15 120.4880 0.2 . 1 . . . A 170 GLU N . 25275 1 210 . 1 1 23 23 ALA H H 1 8.1240 0.02 . 1 . . . A 171 ALA H . 25275 1 211 . 1 1 23 23 ALA HA H 1 4.1480 0.02 . 1 . . . A 171 ALA HA . 25275 1 212 . 1 1 23 23 ALA HB1 H 1 1.4670 0.02 . 1 . . . A 171 ALA HB1 . 25275 1 213 . 1 1 23 23 ALA HB2 H 1 1.4670 0.02 . 1 . . . A 171 ALA HB2 . 25275 1 214 . 1 1 23 23 ALA HB3 H 1 1.4670 0.02 . 1 . . . A 171 ALA HB3 . 25275 1 215 . 1 1 23 23 ALA C C 13 180.0200 0.3 . 1 . . . A 171 ALA C . 25275 1 216 . 1 1 23 23 ALA CA C 13 54.3560 0.3 . 1 . . . A 171 ALA CA . 25275 1 217 . 1 1 23 23 ALA CB C 13 18.4970 0.3 . 1 . . . A 171 ALA CB . 25275 1 218 . 1 1 23 23 ALA N N 15 123.5720 0.2 . 1 . . . A 171 ALA N . 25275 1 219 . 1 1 24 24 ALA H H 1 8.2610 0.02 . 1 . . . A 172 ALA H . 25275 1 220 . 1 1 24 24 ALA HA H 1 4.1130 0.02 . 1 . . . A 172 ALA HA . 25275 1 221 . 1 1 24 24 ALA HB1 H 1 1.4750 0.02 . 1 . . . A 172 ALA HB1 . 25275 1 222 . 1 1 24 24 ALA HB2 H 1 1.4750 0.02 . 1 . . . A 172 ALA HB2 . 25275 1 223 . 1 1 24 24 ALA HB3 H 1 1.4750 0.02 . 1 . . . A 172 ALA HB3 . 25275 1 224 . 1 1 24 24 ALA C C 13 179.7710 0.3 . 1 . . . A 172 ALA C . 25275 1 225 . 1 1 24 24 ALA CA C 13 54.7550 0.3 . 1 . . . A 172 ALA CA . 25275 1 226 . 1 1 24 24 ALA CB C 13 18.4080 0.3 . 1 . . . A 172 ALA CB . 25275 1 227 . 1 1 24 24 ALA N N 15 121.8680 0.2 . 1 . . . A 172 ALA N . 25275 1 228 . 1 1 25 25 GLN H H 1 8.1050 0.02 . 1 . . . A 173 GLN H . 25275 1 229 . 1 1 25 25 GLN HA H 1 4.1390 0.02 . 1 . . . A 173 GLN HA . 25275 1 230 . 1 1 25 25 GLN HB2 H 1 2.1620 0.02 . 2 . . . A 173 GLN HB2 . 25275 1 231 . 1 1 25 25 GLN HB3 H 1 2.1620 0.02 . 2 . . . A 173 GLN HB3 . 25275 1 232 . 1 1 25 25 GLN HG2 H 1 2.5050 0.02 . 2 . . . A 173 GLN HG2 . 25275 1 233 . 1 1 25 25 GLN HG3 H 1 2.4100 0.02 . 2 . . . A 173 GLN HG3 . 25275 1 234 . 1 1 25 25 GLN HE21 H 1 6.8630 0.02 . 2 . . . A 173 GLN HE21 . 25275 1 235 . 1 1 25 25 GLN HE22 H 1 7.5970 0.02 . 2 . . . A 173 GLN HE22 . 25275 1 236 . 1 1 25 25 GLN C C 13 178.1950 0.3 . 1 . . . A 173 GLN C . 25275 1 237 . 1 1 25 25 GLN CA C 13 58.2510 0.3 . 1 . . . A 173 GLN CA . 25275 1 238 . 1 1 25 25 GLN CB C 13 28.3960 0.3 . 1 . . . A 173 GLN CB . 25275 1 239 . 1 1 25 25 GLN CG C 13 33.8850 0.3 . 1 . . . A 173 GLN CG . 25275 1 240 . 1 1 25 25 GLN N N 15 118.3330 0.2 . 1 . . . A 173 GLN N . 25275 1 241 . 1 1 25 25 GLN NE2 N 15 112.0690 0.2 . 1 . . . A 173 GLN NE2 . 25275 1 242 . 1 1 26 26 LEU H H 1 7.9020 0.02 . 1 . . . A 174 LEU H . 25275 1 243 . 1 1 26 26 LEU HA H 1 4.1920 0.02 . 1 . . . A 174 LEU HA . 25275 1 244 . 1 1 26 26 LEU HB2 H 1 1.7830 0.02 . 2 . . . A 174 LEU HB2 . 25275 1 245 . 1 1 26 26 LEU HB3 H 1 1.6220 0.02 . 2 . . . A 174 LEU HB3 . 25275 1 246 . 1 1 26 26 LEU HG H 1 1.7000 0.02 . 1 . . . A 174 LEU HG . 25275 1 247 . 1 1 26 26 LEU HD11 H 1 0.9240 0.02 . 2 . . . A 174 LEU HD11 . 25275 1 248 . 1 1 26 26 LEU HD12 H 1 0.9240 0.02 . 2 . . . A 174 LEU HD12 . 25275 1 249 . 1 1 26 26 LEU HD13 H 1 0.9240 0.02 . 2 . . . A 174 LEU HD13 . 25275 1 250 . 1 1 26 26 LEU HD21 H 1 0.8820 0.02 . 2 . . . A 174 LEU HD21 . 25275 1 251 . 1 1 26 26 LEU HD22 H 1 0.8820 0.02 . 2 . . . A 174 LEU HD22 . 25275 1 252 . 1 1 26 26 LEU HD23 H 1 0.8820 0.02 . 2 . . . A 174 LEU HD23 . 25275 1 253 . 1 1 26 26 LEU C C 13 178.9720 0.3 . 1 . . . A 174 LEU C . 25275 1 254 . 1 1 26 26 LEU CA C 13 57.3130 0.3 . 1 . . . A 174 LEU CA . 25275 1 255 . 1 1 26 26 LEU CB C 13 41.7320 0.3 . 1 . . . A 174 LEU CB . 25275 1 256 . 1 1 26 26 LEU CG C 13 27.1230 0.3 . 1 . . . A 174 LEU CG . 25275 1 257 . 1 1 26 26 LEU CD1 C 13 24.9030 0.3 . 2 . . . A 174 LEU CD1 . 25275 1 258 . 1 1 26 26 LEU CD2 C 13 23.5190 0.3 . 2 . . . A 174 LEU CD2 . 25275 1 259 . 1 1 26 26 LEU N N 15 121.0000 0.2 . 1 . . . A 174 LEU N . 25275 1 260 . 1 1 27 27 ARG H H 1 8.0170 0.02 . 1 . . . A 175 ARG H . 25275 1 261 . 1 1 27 27 ARG HA H 1 4.0460 0.02 . 1 . . . A 175 ARG HA . 25275 1 262 . 1 1 27 27 ARG HB2 H 1 1.9320 0.02 . 2 . . . A 175 ARG HB2 . 25275 1 263 . 1 1 27 27 ARG HG2 H 1 1.7540 0.02 . 2 . . . A 175 ARG HG2 . 25275 1 264 . 1 1 27 27 ARG HG3 H 1 1.6130 0.02 . 2 . . . A 175 ARG HG3 . 25275 1 265 . 1 1 27 27 ARG HD2 H 1 3.2240 0.02 . 2 . . . A 175 ARG HD2 . 25275 1 266 . 1 1 27 27 ARG HD3 H 1 3.2240 0.02 . 2 . . . A 175 ARG HD3 . 25275 1 267 . 1 1 27 27 ARG C C 13 178.1770 0.3 . 1 . . . A 175 ARG C . 25275 1 268 . 1 1 27 27 ARG CA C 13 59.1820 0.3 . 1 . . . A 175 ARG CA . 25275 1 269 . 1 1 27 27 ARG CB C 13 30.1960 0.3 . 1 . . . A 175 ARG CB . 25275 1 270 . 1 1 27 27 ARG CG C 13 27.5130 0.3 . 1 . . . A 175 ARG CG . 25275 1 271 . 1 1 27 27 ARG CD C 13 43.4400 0.3 . 1 . . . A 175 ARG CD . 25275 1 272 . 1 1 27 27 ARG N N 15 120.3540 0.2 . 1 . . . A 175 ARG N . 25275 1 273 . 1 1 28 28 GLU H H 1 8.1520 0.02 . 1 . . . A 176 GLU H . 25275 1 274 . 1 1 28 28 GLU HA H 1 4.0520 0.02 . 1 . . . A 176 GLU HA . 25275 1 275 . 1 1 28 28 GLU HB2 H 1 2.1100 0.02 . 2 . . . A 176 GLU HB2 . 25275 1 276 . 1 1 28 28 GLU HB3 H 1 1.9280 0.02 . 2 . . . A 176 GLU HB3 . 25275 1 277 . 1 1 28 28 GLU HG2 H 1 2.2890 0.02 . 2 . . . A 176 GLU HG2 . 25275 1 278 . 1 1 28 28 GLU HG3 H 1 2.2890 0.02 . 2 . . . A 176 GLU HG3 . 25275 1 279 . 1 1 28 28 GLU C C 13 178.8020 0.3 . 1 . . . A 176 GLU C . 25275 1 280 . 1 1 28 28 GLU CA C 13 59.2220 0.3 . 1 . . . A 176 GLU CA . 25275 1 281 . 1 1 28 28 GLU CB C 13 29.6940 0.3 . 1 . . . A 176 GLU CB . 25275 1 282 . 1 1 28 28 GLU CG C 13 36.2880 0.3 . 1 . . . A 176 GLU CG . 25275 1 283 . 1 1 28 28 GLU N N 15 119.1010 0.2 . 1 . . . A 176 GLU N . 25275 1 284 . 1 1 29 29 GLU H H 1 8.1510 0.02 . 1 . . . A 177 GLU H . 25275 1 285 . 1 1 29 29 GLU HA H 1 4.1130 0.02 . 1 . . . A 177 GLU HA . 25275 1 286 . 1 1 29 29 GLU HB2 H 1 2.1280 0.02 . 2 . . . A 177 GLU HB2 . 25275 1 287 . 1 1 29 29 GLU HB3 H 1 2.1280 0.02 . 2 . . . A 177 GLU HB3 . 25275 1 288 . 1 1 29 29 GLU HG2 H 1 2.2950 0.02 . 2 . . . A 177 GLU HG2 . 25275 1 289 . 1 1 29 29 GLU HG3 H 1 2.2950 0.02 . 2 . . . A 177 GLU HG3 . 25275 1 290 . 1 1 29 29 GLU C C 13 178.5590 0.3 . 1 . . . A 177 GLU C . 25275 1 291 . 1 1 29 29 GLU CA C 13 59.0100 0.3 . 1 . . . A 177 GLU CA . 25275 1 292 . 1 1 29 29 GLU CB C 13 29.4980 0.3 . 1 . . . A 177 GLU CB . 25275 1 293 . 1 1 29 29 GLU CG C 13 36.2180 0.3 . 1 . . . A 177 GLU CG . 25275 1 294 . 1 1 29 29 GLU N N 15 120.3810 0.2 . 1 . . . A 177 GLU N . 25275 1 295 . 1 1 30 30 ARG H H 1 8.1460 0.02 . 1 . . . A 178 ARG H . 25275 1 296 . 1 1 30 30 ARG HA H 1 4.0980 0.02 . 1 . . . A 178 ARG HA . 25275 1 297 . 1 1 30 30 ARG HB2 H 1 1.9150 0.02 . 2 . . . A 178 ARG HB2 . 25275 1 298 . 1 1 30 30 ARG HG2 H 1 1.6020 0.02 . 2 . . . A 178 ARG HG2 . 25275 1 299 . 1 1 30 30 ARG HG3 H 1 1.7440 0.02 . 2 . . . A 178 ARG HG3 . 25275 1 300 . 1 1 30 30 ARG HD2 H 1 3.2260 0.02 . 2 . . . A 178 ARG HD2 . 25275 1 301 . 1 1 30 30 ARG HD3 H 1 3.2260 0.02 . 2 . . . A 178 ARG HD3 . 25275 1 302 . 1 1 30 30 ARG C C 13 178.7090 0.3 . 1 . . . A 178 ARG C . 25275 1 303 . 1 1 30 30 ARG CA C 13 58.7440 0.3 . 1 . . . A 178 ARG CA . 25275 1 304 . 1 1 30 30 ARG CB C 13 30.0530 0.3 . 1 . . . A 178 ARG CB . 25275 1 305 . 1 1 30 30 ARG CG C 13 27.5780 0.3 . 1 . . . A 178 ARG CG . 25275 1 306 . 1 1 30 30 ARG CD C 13 43.5210 0.3 . 1 . . . A 178 ARG CD . 25275 1 307 . 1 1 30 30 ARG N N 15 120.0720 0.2 . 1 . . . A 178 ARG N . 25275 1 308 . 1 1 31 31 LEU H H 1 8.0770 0.02 . 1 . . . A 179 LEU H . 25275 1 309 . 1 1 31 31 LEU HA H 1 4.1790 0.02 . 1 . . . A 179 LEU HA . 25275 1 310 . 1 1 31 31 LEU HB2 H 1 1.8480 0.02 . 2 . . . A 179 LEU HB2 . 25275 1 311 . 1 1 31 31 LEU HB3 H 1 1.6140 0.02 . 2 . . . A 179 LEU HB3 . 25275 1 312 . 1 1 31 31 LEU HG H 1 1.7720 0.02 . 1 . . . A 179 LEU HG . 25275 1 313 . 1 1 31 31 LEU HD11 H 1 0.9200 0.02 . 2 . . . A 179 LEU HD11 . 25275 1 314 . 1 1 31 31 LEU HD12 H 1 0.9200 0.02 . 2 . . . A 179 LEU HD12 . 25275 1 315 . 1 1 31 31 LEU HD13 H 1 0.9200 0.02 . 2 . . . A 179 LEU HD13 . 25275 1 316 . 1 1 31 31 LEU HD21 H 1 0.8830 0.02 . 2 . . . A 179 LEU HD21 . 25275 1 317 . 1 1 31 31 LEU HD22 H 1 0.8830 0.02 . 2 . . . A 179 LEU HD22 . 25275 1 318 . 1 1 31 31 LEU HD23 H 1 0.8830 0.02 . 2 . . . A 179 LEU HD23 . 25275 1 319 . 1 1 31 31 LEU C C 13 179.3700 0.3 . 1 . . . A 179 LEU C . 25275 1 320 . 1 1 31 31 LEU CA C 13 57.3610 0.3 . 1 . . . A 179 LEU CA . 25275 1 321 . 1 1 31 31 LEU CB C 13 41.8310 0.3 . 1 . . . A 179 LEU CB . 25275 1 322 . 1 1 31 31 LEU CG C 13 27.1960 0.3 . 1 . . . A 179 LEU CG . 25275 1 323 . 1 1 31 31 LEU CD1 C 13 25.1370 0.3 . 2 . . . A 179 LEU CD1 . 25275 1 324 . 1 1 31 31 LEU CD2 C 13 23.3710 0.3 . 2 . . . A 179 LEU CD2 . 25275 1 325 . 1 1 31 31 LEU N N 15 120.0720 0.2 . 1 . . . A 179 LEU N . 25275 1 326 . 1 1 32 32 ARG H H 1 8.0080 0.02 . 1 . . . A 180 ARG H . 25275 1 327 . 1 1 32 32 ARG HA H 1 4.1550 0.02 . 1 . . . A 180 ARG HA . 25275 1 328 . 1 1 32 32 ARG HB2 H 1 1.9400 0.02 . 2 . . . A 180 ARG HB2 . 25275 1 329 . 1 1 32 32 ARG HB3 H 1 1.9400 0.02 . 2 . . . A 180 ARG HB3 . 25275 1 330 . 1 1 32 32 ARG HG2 H 1 1.6070 0.02 . 2 . . . A 180 ARG HG2 . 25275 1 331 . 1 1 32 32 ARG HG3 H 1 1.7670 0.02 . 2 . . . A 180 ARG HG3 . 25275 1 332 . 1 1 32 32 ARG HD2 H 1 2.2920 0.02 . 2 . . . A 180 ARG HD2 . 25275 1 333 . 1 1 32 32 ARG HD3 H 1 2.2920 0.02 . 2 . . . A 180 ARG HD3 . 25275 1 334 . 1 1 32 32 ARG C C 13 178.2070 0.3 . 1 . . . A 180 ARG C . 25275 1 335 . 1 1 32 32 ARG CA C 13 58.6020 0.3 . 1 . . . A 180 ARG CA . 25275 1 336 . 1 1 32 32 ARG CB C 13 30.1570 0.3 . 1 . . . A 180 ARG CB . 25275 1 337 . 1 1 32 32 ARG CG C 13 27.6400 0.3 . 1 . . . A 180 ARG CG . 25275 1 338 . 1 1 32 32 ARG CD C 13 36.3350 0.3 . 1 . . . A 180 ARG CD . 25275 1 339 . 1 1 32 32 ARG N N 15 120.6740 0.2 . 1 . . . A 180 ARG N . 25275 1 340 . 1 1 33 33 GLN H H 1 8.1360 0.02 . 1 . . . A 181 GLN H . 25275 1 341 . 1 1 33 33 GLN HA H 1 4.1390 0.02 . 1 . . . A 181 GLN HA . 25275 1 342 . 1 1 33 33 GLN HB2 H 1 2.0590 0.02 . 2 . . . A 181 GLN HB2 . 25275 1 343 . 1 1 33 33 GLN HB3 H 1 2.0590 0.02 . 2 . . . A 181 GLN HB3 . 25275 1 344 . 1 1 33 33 GLN HG2 H 1 2.3110 0.02 . 2 . . . A 181 GLN HG2 . 25275 1 345 . 1 1 33 33 GLN HG3 H 1 2.4540 0.02 . 2 . . . A 181 GLN HG3 . 25275 1 346 . 1 1 33 33 GLN HE21 H 1 6.8240 0.02 . 2 . . . A 181 GLN HE21 . 25275 1 347 . 1 1 33 33 GLN HE22 H 1 7.5770 0.02 . 2 . . . A 181 GLN HE22 . 25275 1 348 . 1 1 33 33 GLN C C 13 177.7010 0.3 . 1 . . . A 181 GLN C . 25275 1 349 . 1 1 33 33 GLN CA C 13 57.7850 0.3 . 1 . . . A 181 GLN CA . 25275 1 350 . 1 1 33 33 GLN CB C 13 28.7210 0.3 . 1 . . . A 181 GLN CB . 25275 1 351 . 1 1 33 33 GLN CG C 13 33.8930 0.3 . 1 . . . A 181 GLN CG . 25275 1 352 . 1 1 33 33 GLN N N 15 118.9660 0.2 . 1 . . . A 181 GLN N . 25275 1 353 . 1 1 33 33 GLN NE2 N 15 111.9640 0.2 . 1 . . . A 181 GLN NE2 . 25275 1 354 . 1 1 34 34 TYR H H 1 8.0990 0.02 . 1 . . . A 182 TYR H . 25275 1 355 . 1 1 34 34 TYR HA H 1 4.4170 0.02 . 1 . . . A 182 TYR HA . 25275 1 356 . 1 1 34 34 TYR HB2 H 1 3.1250 0.02 . 2 . . . A 182 TYR HB2 . 25275 1 357 . 1 1 34 34 TYR HB3 H 1 3.1250 0.02 . 1 . . . A 182 TYR HB3 . 25275 1 358 . 1 1 34 34 TYR C C 13 176.8430 0.3 . 1 . . . A 182 TYR C . 25275 1 359 . 1 1 34 34 TYR CA C 13 59.4800 0.3 . 1 . . . A 182 TYR CA . 25275 1 360 . 1 1 34 34 TYR CB C 13 38.3830 0.3 . 1 . . . A 182 TYR CB . 25275 1 361 . 1 1 34 34 TYR N N 15 120.0720 0.2 . 1 . . . A 182 TYR N . 25275 1 362 . 1 1 35 35 ALA H H 1 8.0370 0.02 . 1 . . . A 183 ALA H . 25275 1 363 . 1 1 35 35 ALA HA H 1 4.1640 0.02 . 1 . . . A 183 ALA HA . 25275 1 364 . 1 1 35 35 ALA HB1 H 1 1.4780 0.02 . 1 . . . A 183 ALA HB1 . 25275 1 365 . 1 1 35 35 ALA HB2 H 1 1.4780 0.02 . 1 . . . A 183 ALA HB2 . 25275 1 366 . 1 1 35 35 ALA HB3 H 1 1.4780 0.02 . 1 . . . A 183 ALA HB3 . 25275 1 367 . 1 1 35 35 ALA C C 13 179.0810 0.3 . 1 . . . A 183 ALA C . 25275 1 368 . 1 1 35 35 ALA CA C 13 53.9220 0.3 . 1 . . . A 183 ALA CA . 25275 1 369 . 1 1 35 35 ALA CB C 13 18.8040 0.3 . 1 . . . A 183 ALA CB . 25275 1 370 . 1 1 35 35 ALA N N 15 123.0520 0.2 . 1 . . . A 183 ALA N . 25275 1 371 . 1 1 36 36 GLU H H 1 8.1360 0.02 . 1 . . . A 184 GLU H . 25275 1 372 . 1 1 36 36 GLU HA H 1 4.1560 0.02 . 1 . . . A 184 GLU HA . 25275 1 373 . 1 1 36 36 GLU HB2 H 1 2.0640 0.02 . 2 . . . A 184 GLU HB2 . 25275 1 374 . 1 1 36 36 GLU HB3 H 1 2.0640 0.02 . 2 . . . A 184 GLU HB3 . 25275 1 375 . 1 1 36 36 GLU HG2 H 1 2.3050 0.02 . 2 . . . A 184 GLU HG2 . 25275 1 376 . 1 1 36 36 GLU HG3 H 1 2.3050 0.02 . 2 . . . A 184 GLU HG3 . 25275 1 377 . 1 1 36 36 GLU C C 13 177.5720 0.3 . 1 . . . A 184 GLU C . 25275 1 378 . 1 1 36 36 GLU CA C 13 57.7760 0.3 . 1 . . . A 184 GLU CA . 25275 1 379 . 1 1 36 36 GLU CB C 13 30.1500 0.3 . 1 . . . A 184 GLU CB . 25275 1 380 . 1 1 36 36 GLU CG C 13 36.4020 0.3 . 1 . . . A 184 GLU CG . 25275 1 381 . 1 1 36 36 GLU N N 15 118.9660 0.2 . 1 . . . A 184 GLU N . 25275 1 382 . 1 1 37 37 LYS H H 1 8.0230 0.02 . 1 . . . A 185 LYS H . 25275 1 383 . 1 1 37 37 LYS HA H 1 4.1890 0.02 . 1 . . . A 185 LYS HA . 25275 1 384 . 1 1 37 37 LYS HB2 H 1 1.7370 0.02 . 2 . . . A 185 LYS HB2 . 25275 1 385 . 1 1 37 37 LYS HB3 H 1 1.8440 0.02 . 2 . . . A 185 LYS HB3 . 25275 1 386 . 1 1 37 37 LYS HG2 H 1 1.5060 0.02 . 2 . . . A 185 LYS HG2 . 25275 1 387 . 1 1 37 37 LYS HG3 H 1 1.4340 0.02 . 2 . . . A 185 LYS HG3 . 25275 1 388 . 1 1 37 37 LYS HD2 H 1 1.6810 0.02 . 2 . . . A 185 LYS HD2 . 25275 1 389 . 1 1 37 37 LYS HD3 H 1 1.6810 0.02 . 2 . . . A 185 LYS HD3 . 25275 1 390 . 1 1 37 37 LYS HE2 H 1 3.0040 0.02 . 2 . . . A 185 LYS HE2 . 25275 1 391 . 1 1 37 37 LYS HE3 H 1 3.0040 0.02 . 2 . . . A 185 LYS HE3 . 25275 1 392 . 1 1 37 37 LYS C C 13 177.4770 0.3 . 1 . . . A 185 LYS C . 25275 1 393 . 1 1 37 37 LYS CA C 13 57.4140 0.3 . 1 . . . A 185 LYS CA . 25275 1 394 . 1 1 37 37 LYS CB C 13 32.6080 0.3 . 1 . . . A 185 LYS CB . 25275 1 395 . 1 1 37 37 LYS CG C 13 24.8860 0.3 . 1 . . . A 185 LYS CG . 25275 1 396 . 1 1 37 37 LYS CD C 13 29.1470 0.3 . 1 . . . A 185 LYS CD . 25275 1 397 . 1 1 37 37 LYS CE C 13 42.1830 0.3 . 1 . . . A 185 LYS CE . 25275 1 398 . 1 1 37 37 LYS N N 15 120.7440 0.2 . 1 . . . A 185 LYS N . 25275 1 399 . 1 1 38 38 LYS H H 1 8.0120 0.02 . 1 . . . A 186 LYS H . 25275 1 400 . 1 1 38 38 LYS HA H 1 4.1940 0.02 . 1 . . . A 186 LYS HA . 25275 1 401 . 1 1 38 38 LYS HB2 H 1 1.7090 0.02 . 2 . . . A 186 LYS HB2 . 25275 1 402 . 1 1 38 38 LYS HB3 H 1 1.8000 0.02 . 2 . . . A 186 LYS HB3 . 25275 1 403 . 1 1 38 38 LYS HG2 H 1 1.4950 0.02 . 2 . . . A 186 LYS HG2 . 25275 1 404 . 1 1 38 38 LYS HG3 H 1 1.4260 0.02 . 2 . . . A 186 LYS HG3 . 25275 1 405 . 1 1 38 38 LYS HD2 H 1 1.6460 0.02 . 2 . . . A 186 LYS HD2 . 25275 1 406 . 1 1 38 38 LYS HD3 H 1 1.6460 0.02 . 2 . . . A 186 LYS HD3 . 25275 1 407 . 1 1 38 38 LYS HE2 H 1 3.0100 0.02 . 2 . . . A 186 LYS HE2 . 25275 1 408 . 1 1 38 38 LYS HE3 H 1 3.0100 0.02 . 2 . . . A 186 LYS HE3 . 25275 1 409 . 1 1 38 38 LYS C C 13 176.6570 0.3 . 1 . . . A 186 LYS C . 25275 1 410 . 1 1 38 38 LYS CA C 13 56.4100 0.3 . 1 . . . A 186 LYS CA . 25275 1 411 . 1 1 38 38 LYS CB C 13 32.6570 0.3 . 1 . . . A 186 LYS CB . 25275 1 412 . 1 1 38 38 LYS CG C 13 24.8420 0.3 . 1 . . . A 186 LYS CG . 25275 1 413 . 1 1 38 38 LYS CD C 13 29.1410 0.3 . 1 . . . A 186 LYS CD . 25275 1 414 . 1 1 38 38 LYS CE C 13 42.3230 0.3 . 1 . . . A 186 LYS CE . 25275 1 415 . 1 1 38 38 LYS N N 15 120.7440 0.2 . 1 . . . A 186 LYS N . 25275 1 416 . 1 1 39 39 ALA H H 1 7.9790 0.02 . 1 . . . A 187 ALA H . 25275 1 417 . 1 1 39 39 ALA HA H 1 4.2810 0.02 . 1 . . . A 187 ALA HA . 25275 1 418 . 1 1 39 39 ALA HB1 H 1 1.4020 0.02 . 1 . . . A 187 ALA HB1 . 25275 1 419 . 1 1 39 39 ALA HB2 H 1 1.4020 0.02 . 1 . . . A 187 ALA HB2 . 25275 1 420 . 1 1 39 39 ALA HB3 H 1 1.4020 0.02 . 1 . . . A 187 ALA HB3 . 25275 1 421 . 1 1 39 39 ALA C C 13 177.6450 0.3 . 1 . . . A 187 ALA C . 25275 1 422 . 1 1 39 39 ALA CA C 13 52.5820 0.3 . 1 . . . A 187 ALA CA . 25275 1 423 . 1 1 39 39 ALA CB C 13 19.2110 0.3 . 1 . . . A 187 ALA CB . 25275 1 424 . 1 1 39 39 ALA N N 15 123.6900 0.2 . 1 . . . A 187 ALA N . 25275 1 425 . 1 1 40 40 LYS H H 1 8.0860 0.02 . 1 . . . A 188 LYS H . 25275 1 426 . 1 1 40 40 LYS HA H 1 4.2650 0.02 . 1 . . . A 188 LYS HA . 25275 1 427 . 1 1 40 40 LYS HB2 H 1 1.8100 0.02 . 2 . . . A 188 LYS HB2 . 25275 1 428 . 1 1 40 40 LYS HB3 H 1 1.7440 0.02 . 2 . . . A 188 LYS HB3 . 25275 1 429 . 1 1 40 40 LYS HG2 H 1 1.5010 0.02 . 2 . . . A 188 LYS HG2 . 25275 1 430 . 1 1 40 40 LYS HG3 H 1 1.4390 0.02 . 2 . . . A 188 LYS HG3 . 25275 1 431 . 1 1 40 40 LYS HD2 H 1 1.6900 0.02 . 2 . . . A 188 LYS HD2 . 25275 1 432 . 1 1 40 40 LYS HD3 H 1 1.6900 0.02 . 2 . . . A 188 LYS HD3 . 25275 1 433 . 1 1 40 40 LYS HE2 H 1 3.0070 0.02 . 2 . . . A 188 LYS HE2 . 25275 1 434 . 1 1 40 40 LYS HE3 H 1 3.0070 0.02 . 2 . . . A 188 LYS HE3 . 25275 1 435 . 1 1 40 40 LYS C C 13 176.3890 0.3 . 1 . . . A 188 LYS C . 25275 1 436 . 1 1 40 40 LYS CA C 13 56.2750 0.3 . 1 . . . A 188 LYS CA . 25275 1 437 . 1 1 40 40 LYS CB C 13 33.1100 0.3 . 1 . . . A 188 LYS CB . 25275 1 438 . 1 1 40 40 LYS CG C 13 24.8580 0.3 . 1 . . . A 188 LYS CG . 25275 1 439 . 1 1 40 40 LYS CD C 13 29.1200 0.3 . 1 . . . A 188 LYS CD . 25275 1 440 . 1 1 40 40 LYS CE C 13 42.2090 0.3 . 1 . . . A 188 LYS CE . 25275 1 441 . 1 1 40 40 LYS N N 15 120.4850 0.2 . 1 . . . A 188 LYS N . 25275 1 442 . 1 1 41 41 LYS H H 1 8.2820 0.02 . 1 . . . A 189 LYS H . 25275 1 443 . 1 1 41 41 LYS HA H 1 4.5950 0.02 . 1 . . . A 189 LYS HA . 25275 1 444 . 1 1 41 41 LYS HB2 H 1 1.8480 0.02 . 2 . . . A 189 LYS HB2 . 25275 1 445 . 1 1 41 41 LYS HB3 H 1 1.7560 0.02 . 2 . . . A 189 LYS HB3 . 25275 1 446 . 1 1 41 41 LYS HG2 H 1 1.4990 0.02 . 2 . . . A 189 LYS HG2 . 25275 1 447 . 1 1 41 41 LYS HG3 H 1 1.4280 0.02 . 2 . . . A 189 LYS HG3 . 25275 1 448 . 1 1 41 41 LYS HD2 H 1 1.6940 0.02 . 2 . . . A 189 LYS HD2 . 25275 1 449 . 1 1 41 41 LYS HD3 H 1 1.6940 0.02 . 2 . . . A 189 LYS HD3 . 25275 1 450 . 1 1 41 41 LYS HE2 H 1 3.0070 0.02 . 2 . . . A 189 LYS HE2 . 25275 1 451 . 1 1 41 41 LYS HE3 H 1 3.0070 0.02 . 2 . . . A 189 LYS HE3 . 25275 1 452 . 1 1 41 41 LYS C C 13 174.4740 0.3 . 1 . . . A 189 LYS C . 25275 1 453 . 1 1 41 41 LYS CA C 13 54.3100 0.3 . 1 . . . A 189 LYS CA . 25275 1 454 . 1 1 41 41 LYS CB C 13 32.5840 0.3 . 1 . . . A 189 LYS CB . 25275 1 455 . 1 1 41 41 LYS CG C 13 24.8830 0.3 . 1 . . . A 189 LYS CG . 25275 1 456 . 1 1 41 41 LYS CD C 13 29.1380 0.3 . 1 . . . A 189 LYS CD . 25275 1 457 . 1 1 41 41 LYS CE C 13 42.1950 0.3 . 1 . . . A 189 LYS CE . 25275 1 458 . 1 1 41 41 LYS N N 15 124.3740 0.2 . 1 . . . A 189 LYS N . 25275 1 459 . 1 1 42 42 PRO HA H 1 4.3750 0.02 . 1 . . . A 190 PRO HA . 25275 1 460 . 1 1 42 42 PRO HB2 H 1 1.9010 0.02 . 2 . . . A 190 PRO HB2 . 25275 1 461 . 1 1 42 42 PRO HB3 H 1 2.3040 0.02 . 2 . . . A 190 PRO HB3 . 25275 1 462 . 1 1 42 42 PRO C C 13 176.3360 0.3 . 1 . . . A 190 PRO C . 25275 1 463 . 1 1 42 42 PRO CA C 13 63.0220 0.3 . 1 . . . A 190 PRO CA . 25275 1 464 . 1 1 42 42 PRO CB C 13 32.2090 0.3 . 1 . . . A 190 PRO CB . 25275 1 465 . 1 1 43 43 ALA H H 1 8.3790 0.02 . 1 . . . A 191 ALA H . 25275 1 466 . 1 1 43 43 ALA HA H 1 4.3430 0.02 . 1 . . . A 191 ALA HA . 25275 1 467 . 1 1 43 43 ALA HB1 H 1 1.3860 0.02 . 1 . . . A 191 ALA HB1 . 25275 1 468 . 1 1 43 43 ALA HB2 H 1 1.3860 0.02 . 1 . . . A 191 ALA HB2 . 25275 1 469 . 1 1 43 43 ALA HB3 H 1 1.3860 0.02 . 1 . . . A 191 ALA HB3 . 25275 1 470 . 1 1 43 43 ALA C C 13 176.6060 0.3 . 1 . . . A 191 ALA C . 25275 1 471 . 1 1 43 43 ALA CA C 13 52.3580 0.3 . 1 . . . A 191 ALA CA . 25275 1 472 . 1 1 43 43 ALA CB C 13 19.1690 0.3 . 1 . . . A 191 ALA CB . 25275 1 473 . 1 1 43 43 ALA N N 15 125.2220 0.2 . 1 . . . A 191 ALA N . 25275 1 474 . 1 1 44 44 LEU H H 1 7.8030 0.02 . 1 . . . A 192 LEU H . 25275 1 475 . 1 1 44 44 LEU HA H 1 4.1820 0.02 . 1 . . . A 192 LEU HA . 25275 1 476 . 1 1 44 44 LEU HB2 H 1 1.5790 0.02 . 2 . . . A 192 LEU HB2 . 25275 1 477 . 1 1 44 44 LEU HB3 H 1 1.5790 0.02 . 2 . . . A 192 LEU HB3 . 25275 1 478 . 1 1 44 44 LEU HG H 1 1.5790 0.02 . 1 . . . A 192 LEU HG . 25275 1 479 . 1 1 44 44 LEU HD11 H 1 0.9100 0.02 . 2 . . . A 192 LEU HD11 . 25275 1 480 . 1 1 44 44 LEU HD12 H 1 0.9100 0.02 . 2 . . . A 192 LEU HD12 . 25275 1 481 . 1 1 44 44 LEU HD13 H 1 0.9100 0.02 . 2 . . . A 192 LEU HD13 . 25275 1 482 . 1 1 44 44 LEU HD21 H 1 0.8720 0.02 . 2 . . . A 192 LEU HD21 . 25275 1 483 . 1 1 44 44 LEU HD22 H 1 0.8720 0.02 . 2 . . . A 192 LEU HD22 . 25275 1 484 . 1 1 44 44 LEU HD23 H 1 0.8720 0.02 . 2 . . . A 192 LEU HD23 . 25275 1 485 . 1 1 44 44 LEU C C 13 182.5130 0.3 . 1 . . . A 192 LEU C . 25275 1 486 . 1 1 44 44 LEU CA C 13 56.8050 0.3 . 1 . . . A 192 LEU CA . 25275 1 487 . 1 1 44 44 LEU CB C 13 43.5070 0.3 . 1 . . . A 192 LEU CB . 25275 1 488 . 1 1 44 44 LEU CG C 13 27.2880 0.3 . 1 . . . A 192 LEU CG . 25275 1 489 . 1 1 44 44 LEU CD1 C 13 25.2790 0.3 . 2 . . . A 192 LEU CD1 . 25275 1 490 . 1 1 44 44 LEU CD2 C 13 23.7490 0.3 . 2 . . . A 192 LEU CD2 . 25275 1 491 . 1 1 44 44 LEU N N 15 127.4370 0.2 . 1 . . . A 192 LEU N . 25275 1 stop_ save_