data_16012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16012 _Entry.Title ; Solution NMR structure of BNIP3 transmembrane peptide dimer in detergent micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-30 _Entry.Accession_date 2008-10-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'This entry corresponds to PDB entries 2KA1 and 2KA2, which are generated with different restraints.' _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 Endah Sulistijo E. S. . 16012 2 Kevin MacKenzie K. R. . 16012 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 . 'not applicable' 'not applicable' . 16012 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bnip3 . 16012 homodimer . 16012 'integral membrane protein' . 16012 'membrane helix-helix interactions' . 16012 'membrane protein folding' . 16012 'transmembrane domain' . 16012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 16012 '15N chemical shifts' 39 16012 '1H chemical shifts' 284 16012 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 . . 2009-06-10 2008-10-30 update BMRB 'complete entry citation' 16012 1 . . 2009-05-20 2008-10-30 original author 'original release' 16012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KA1 'BMRB Entry Tracking System' 16012 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19415897 _Citation.Full_citation . _Citation.Title 'The structural basis for dimerization of the BNIP3 transmembrane domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 23 _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 5106 _Citation.Page_last 5120 _Citation.Year 2009 _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 Endah Sulistijo E. S. . 16012 1 2 Kevin MacKenzie K. R. . 16012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16012 _Assembly.ID 1 _Assembly.Name 'Bcl2/Adenovirus E1B 19 kDa protein-interacting protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Bcl2/Adenovirus E1B 19 kDa protein-interacting protein 3_1' 1 $Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 A . yes native no no . . . 16012 1 2 'Bcl2/Adenovirus E1B 19 kDa protein-interacting protein 3_2' 1 $Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 B . yes native no no . . . 16012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 _Entity.Sf_category entity _Entity.Sf_framecode Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 _Entity.Entry_ID 16012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bcl2/Adenovirus_E1B_19_kDa_protein-interacting_protein_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGIFSAEFLKVFLPSLLLSH LLAIGLGIYIGRRLT ; _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'dimeric transmembrane peptide, residues 154-188' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3790.626 _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 PDB 2J5D . "Nmr Structure Of Bnip3 Transmembrane Domain In Lipid Bicelles" . . . . . 100.00 45 100.00 100.00 2.15e-13 . . . . 16012 1 2 no PDB 2KA1 . "Solution Nmr Structure Of Bnip3 Transmembrane Peptide Dimer In Detergent Micelles" . . . . . 100.00 35 100.00 100.00 5.77e-13 . . . . 16012 1 3 no PDB 2KA2 . "Solution Nmr Structure Of Bnip3 Transmembrane Peptide Dimer In Detergent Micelles With His173-Ser172 Intermonomer Hydrogen Bond" . . . . . 100.00 35 100.00 100.00 5.77e-13 . . . . 16012 1 4 no DBJ BAB29214 . "unnamed protein product [Mus musculus]" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 5 no DBJ BAC36072 . "unnamed protein product [Mus musculus]" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 6 no DBJ BAD96346 . "BCL2/adenovirus E1B 19kD-interacting protein 3 variant [Homo sapiens]" . . . . . 100.00 194 97.14 100.00 4.48e-14 . . . . 16012 1 7 no DBJ BAE31356 . "unnamed protein product [Mus musculus]" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 8 no DBJ BAG58159 . "unnamed protein product [Homo sapiens]" . . . . . 77.14 180 100.00 100.00 9.76e+00 . . . . 16012 1 9 no EMBL CAX36485 . "BNIP3 protein [Spalax judaei]" . . . . . 100.00 193 97.14 100.00 3.94e-14 . . . . 16012 1 10 no GB AAC00022 . "BCL2/adenovirus E1B 19kD-interacting protein 3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 1.20e-14 . . . . 16012 1 11 no GB AAC16738 . "E1B 19K/Bcl-2-binding protein Nip3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 1.20e-14 . . . . 16012 1 12 no GB AAD02922 . "E1B 19K/Bcl-2-binding protein homolog [Mus musculus]" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 13 no GB AAF98317 . "BCL2/adenovirus E1B 19 kDa-interacting protein 3 [Rattus norvegicus]" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 14 no GB AAH21989 . "BCL2/adenovirus E1B 19kDa interacting protein 3 [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 1.20e-14 . . . . 16012 1 15 no REF NP_001015859 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 202 97.14 100.00 2.15e-14 . . . . 16012 1 16 no REF NP_001069834 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Bos taurus]" . . . . . 100.00 196 100.00 100.00 1.22e-14 . . . . 16012 1 17 no REF NP_001083178 . "BCL2/adenovirus E1B 19kDa interacting protein 3 [Xenopus laevis]" . . . . . 100.00 202 97.14 100.00 2.15e-14 . . . . 16012 1 18 no REF NP_004043 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Homo sapiens]" . . . . . 100.00 259 100.00 100.00 1.71e-14 . . . . 16012 1 19 no REF NP_033890 . "BCL2/adenovirus E1B 19 kDa protein-interacting protein 3 [Mus musculus]" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 20 no SP O55003 . "RecName: Full=BCL2/adenovirus E1B 19 kDa protein-interacting protein 3" . . . . . 100.00 187 97.14 100.00 3.73e-14 . . . . 16012 1 21 no SP Q12983 . "RecName: Full=BCL2/adenovirus E1B 19 kDa protein-interacting protein 3" . . . . . 100.00 194 100.00 100.00 1.20e-14 . . . . 16012 1 22 no SP Q32KN2 . "RecName: Full=BCL2/adenovirus E1B 19 kDa protein-interacting protein 3" . . . . . 100.00 196 100.00 100.00 1.22e-14 . . . . 16012 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 1 154 GLY . 16012 1 2 155 GLY . 16012 1 3 156 ILE . 16012 1 4 157 PHE . 16012 1 5 158 SER . 16012 1 6 159 ALA . 16012 1 7 160 GLU . 16012 1 8 161 PHE . 16012 1 9 162 LEU . 16012 1 10 163 LYS . 16012 1 11 164 VAL . 16012 1 12 165 PHE . 16012 1 13 166 LEU . 16012 1 14 167 PRO . 16012 1 15 168 SER . 16012 1 16 169 LEU . 16012 1 17 170 LEU . 16012 1 18 171 LEU . 16012 1 19 172 SER . 16012 1 20 173 HIS . 16012 1 21 174 LEU . 16012 1 22 175 LEU . 16012 1 23 176 ALA . 16012 1 24 177 ILE . 16012 1 25 178 GLY . 16012 1 26 179 LEU . 16012 1 27 180 GLY . 16012 1 28 181 ILE . 16012 1 29 182 TYR . 16012 1 30 183 ILE . 16012 1 31 184 GLY . 16012 1 32 185 ARG . 16012 1 33 186 ARG . 16012 1 34 187 LEU . 16012 1 35 188 THR . 16012 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 16012 1 . GLY 2 2 16012 1 . ILE 3 3 16012 1 . PHE 4 4 16012 1 . SER 5 5 16012 1 . ALA 6 6 16012 1 . GLU 7 7 16012 1 . PHE 8 8 16012 1 . LEU 9 9 16012 1 . LYS 10 10 16012 1 . VAL 11 11 16012 1 . PHE 12 12 16012 1 . LEU 13 13 16012 1 . PRO 14 14 16012 1 . SER 15 15 16012 1 . LEU 16 16 16012 1 . LEU 17 17 16012 1 . LEU 18 18 16012 1 . SER 19 19 16012 1 . HIS 20 20 16012 1 . LEU 21 21 16012 1 . LEU 22 22 16012 1 . ALA 23 23 16012 1 . ILE 24 24 16012 1 . GLY 25 25 16012 1 . LEU 26 26 16012 1 . GLY 27 27 16012 1 . ILE 28 28 16012 1 . TYR 29 29 16012 1 . ILE 30 30 16012 1 . GLY 31 31 16012 1 . ARG 32 32 16012 1 . ARG 33 33 16012 1 . LEU 34 34 16012 1 . THR 35 35 16012 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 16012 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16012 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 16012 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET3A . . . . . . 16012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM phosphate buffer, 90% H2O, 10% D2O' _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 'Bcl2/Adenovirus E1B 19 kDa protein-interacting protein 3' '[U-100% 13C; U-100% 15N]' . . 1 $Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 . . 0.4 . . mM . . . . 16012 1 2 'Bcl2/Adenovirus E1B 19 kDa protein-interacting protein 3' 'natural abundance' . . 1 $Bcl2_Adenovirus_E1B_19_kDa_protein-interacting_protein_3 . . 0.6 . . mM . . . . 16012 1 3 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 16012 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 16012 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.1 . pH 16012 1 temperature 313 . K 16012 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16012 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16012 1 'structure solution' 16012 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16012 _Software.ID 2 _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' . . 16012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16012 2 processing 16012 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16012 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16012 3 'peak picking' 16012 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16012 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16012 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16012 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16012 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 16012 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 16012 1 2 spectrometer_2 Varian INOVA . 600 . . . 16012 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 16012 _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 '3D CN-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 2 '3D 15N-edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 3 '3D 13C-edited NOESY-HSQC optimized for aromatic carbon' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16012 1 4 'half-filtered 3D CN-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 5 '2D spin-echo difference CT HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16012 1 6 HNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 7 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 8 CBCACONNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 9 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 10 H(C)CH-COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16012 1 11 (H)CCH-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16012 1 12 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 1 13 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16012 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 16012 _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 TSP 'methyl carbons' . . . . ppm -0.15 internal indirect 0.251449530 . . . . . . . . . 16012 1 H 1 TSP 'methyl protons' . . . . ppm 0.003 internal direct 1.000000000 . . . . . . . . . 16012 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16012 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 16012 _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 '3D CN-NOESY-HSQC' . . . 16012 1 2 '3D 15N-edited NOESY-HSQC' . . . 16012 1 3 '3D 13C-edited NOESY-HSQC optimized for aromatic carbon' . . . 16012 1 7 HNCA . . . 16012 1 8 CBCACONNH . . . 16012 1 9 HNCO . . . 16012 1 10 H(C)CH-COSY . . . 16012 1 11 (H)CCH-TOCSY . . . 16012 1 12 HBCBCGCDHD . . . 16012 1 13 HBCBCGCDCEHE . . . 16012 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.88 0.05 . 2 . . . . 154 GLY HA2 . 16012 1 2 . 1 1 1 1 GLY HA3 H 1 3.88 0.05 . 2 . . . . 154 GLY HA3 . 16012 1 3 . 1 1 1 1 GLY C C 13 169.94 0.5 . 1 . . . . 154 GLY C . 16012 1 4 . 1 1 1 1 GLY CA C 13 42.77 0.5 . 1 . . . . 154 GLY CA . 16012 1 5 . 1 1 2 2 GLY H H 1 8.57 0.05 . 1 . . . . 155 GLY H . 16012 1 6 . 1 1 2 2 GLY HA2 H 1 3.95 0.05 . 2 . . . . 155 GLY HA2 . 16012 1 7 . 1 1 2 2 GLY HA3 H 1 4.07 0.05 . 2 . . . . 155 GLY HA3 . 16012 1 8 . 1 1 2 2 GLY C C 13 173.69 0.5 . 1 . . . . 155 GLY C . 16012 1 9 . 1 1 2 2 GLY CA C 13 44.56 0.5 . 1 . . . . 155 GLY CA . 16012 1 10 . 1 1 2 2 GLY N N 15 108.94 0.5 . 1 . . . . 155 GLY N . 16012 1 11 . 1 1 3 3 ILE H H 1 8.34 0.05 . 1 . . . . 156 ILE H . 16012 1 12 . 1 1 3 3 ILE HA H 1 3.64 0.05 . 1 . . . . 156 ILE HA . 16012 1 13 . 1 1 3 3 ILE HB H 1 1.41 0.05 . 1 . . . . 156 ILE HB . 16012 1 14 . 1 1 3 3 ILE HD11 H 1 0.53 0.05 . 1 . . . . 156 ILE HD1 . 16012 1 15 . 1 1 3 3 ILE HD12 H 1 0.53 0.05 . 1 . . . . 156 ILE HD1 . 16012 1 16 . 1 1 3 3 ILE HD13 H 1 0.53 0.05 . 1 . . . . 156 ILE HD1 . 16012 1 17 . 1 1 3 3 ILE HG12 H 1 0.80 0.05 . 2 . . . . 156 ILE HG12 . 16012 1 18 . 1 1 3 3 ILE HG13 H 1 0.97 0.05 . 2 . . . . 156 ILE HG13 . 16012 1 19 . 1 1 3 3 ILE HG21 H 1 0.30 0.05 . 1 . . . . 156 ILE HG2 . 16012 1 20 . 1 1 3 3 ILE HG22 H 1 0.30 0.05 . 1 . . . . 156 ILE HG2 . 16012 1 21 . 1 1 3 3 ILE HG23 H 1 0.30 0.05 . 1 . . . . 156 ILE HG2 . 16012 1 22 . 1 1 3 3 ILE C C 13 174.47 0.5 . 1 . . . . 156 ILE C . 16012 1 23 . 1 1 3 3 ILE CA C 13 62.06 0.5 . 1 . . . . 156 ILE CA . 16012 1 24 . 1 1 3 3 ILE CB C 13 37.68 0.5 . 1 . . . . 156 ILE CB . 16012 1 25 . 1 1 3 3 ILE CD1 C 13 12.99 0.5 . 1 . . . . 156 ILE CD1 . 16012 1 26 . 1 1 3 3 ILE CG1 C 13 26.74 0.5 . 1 . . . . 156 ILE CG1 . 16012 1 27 . 1 1 3 3 ILE CG2 C 13 16.59 0.5 . 1 . . . . 156 ILE CG2 . 16012 1 28 . 1 1 3 3 ILE N N 15 119.87 0.5 . 1 . . . . 156 ILE N . 16012 1 29 . 1 1 4 4 PHE H H 1 7.85 0.05 . 1 . . . . 157 PHE H . 16012 1 30 . 1 1 4 4 PHE HA H 1 4.57 0.05 . 1 . . . . 157 PHE HA . 16012 1 31 . 1 1 4 4 PHE HB2 H 1 3.14 0.05 . 2 . . . . 157 PHE HB2 . 16012 1 32 . 1 1 4 4 PHE HB3 H 1 2.97 0.05 . 2 . . . . 157 PHE HB3 . 16012 1 33 . 1 1 4 4 PHE HD1 H 1 7.13 0.05 . 3 . . . . 157 PHE HD1 . 16012 1 34 . 1 1 4 4 PHE HD2 H 1 7.13 0.05 . 3 . . . . 157 PHE HD2 . 16012 1 35 . 1 1 4 4 PHE HE1 H 1 7.09 0.05 . 3 . . . . 157 PHE HE1 . 16012 1 36 . 1 1 4 4 PHE HE2 H 1 7.09 0.05 . 3 . . . . 157 PHE HE2 . 16012 1 37 . 1 1 4 4 PHE HZ H 1 7.00 0.05 . 1 . . . . 157 PHE HZ . 16012 1 38 . 1 1 4 4 PHE C C 13 174.32 0.5 . 1 . . . . 157 PHE C . 16012 1 39 . 1 1 4 4 PHE CA C 13 56.31 0.5 . 1 . . . . 157 PHE CA . 16012 1 40 . 1 1 4 4 PHE CB C 13 37.84 0.5 . 1 . . . . 157 PHE CB . 16012 1 41 . 1 1 4 4 PHE CG C 13 138.60 0.5 . 1 . . . . 157 PHE CG . 16012 1 42 . 1 1 4 4 PHE CD1 C 13 131.23 0.5 . 3 . . . . 157 PHE CD1 . 16012 1 43 . 1 1 4 4 PHE CD2 C 13 131.23 0.5 . 3 . . . . 157 PHE CD2 . 16012 1 44 . 1 1 4 4 PHE CE1 C 13 130.24 0.5 . 3 . . . . 157 PHE CE1 . 16012 1 45 . 1 1 4 4 PHE CE2 C 13 130.24 0.5 . 3 . . . . 157 PHE CE2 . 16012 1 46 . 1 1 4 4 PHE CZ C 13 128.29 0.5 . 1 . . . . 157 PHE CZ . 16012 1 47 . 1 1 4 4 PHE N N 15 117.79 0.5 . 1 . . . . 157 PHE N . 16012 1 48 . 1 1 5 5 SER H H 1 7.97 0.05 . 1 . . . . 158 SER H . 16012 1 49 . 1 1 5 5 SER HA H 1 4.56 0.05 . 1 . . . . 158 SER HA . 16012 1 50 . 1 1 5 5 SER HB2 H 1 3.96 0.05 . 2 . . . . 158 SER HB2 . 16012 1 51 . 1 1 5 5 SER HB3 H 1 4.18 0.05 . 2 . . . . 158 SER HB3 . 16012 1 52 . 1 1 5 5 SER C C 13 174.16 0.5 . 1 . . . . 158 SER C . 16012 1 53 . 1 1 5 5 SER CA C 13 57.01 0.5 . 1 . . . . 158 SER CA . 16012 1 54 . 1 1 5 5 SER CB C 13 64.87 0.5 . 1 . . . . 158 SER CB . 16012 1 55 . 1 1 5 5 SER N N 15 115.67 0.5 . 1 . . . . 158 SER N . 16012 1 56 . 1 1 6 6 ALA H H 1 9.00 0.05 . 1 . . . . 159 ALA H . 16012 1 57 . 1 1 6 6 ALA HA H 1 4.08 0.05 . 1 . . . . 159 ALA HA . 16012 1 58 . 1 1 6 6 ALA HB1 H 1 1.52 0.05 . 1 . . . . 159 ALA HB . 16012 1 59 . 1 1 6 6 ALA HB2 H 1 1.52 0.05 . 1 . . . . 159 ALA HB . 16012 1 60 . 1 1 6 6 ALA HB3 H 1 1.52 0.05 . 1 . . . . 159 ALA HB . 16012 1 61 . 1 1 6 6 ALA C C 13 178.29 0.5 . 1 . . . . 159 ALA C . 16012 1 62 . 1 1 6 6 ALA CA C 13 54.85 0.5 . 1 . . . . 159 ALA CA . 16012 1 63 . 1 1 6 6 ALA CB C 13 18.07 0.5 . 1 . . . . 159 ALA CB . 16012 1 64 . 1 1 6 6 ALA N N 15 125.39 0.5 . 1 . . . . 159 ALA N . 16012 1 65 . 1 1 7 7 GLU H H 1 8.59 0.05 . 1 . . . . 160 GLU H . 16012 1 66 . 1 1 7 7 GLU HA H 1 3.99 0.05 . 1 . . . . 160 GLU HA . 16012 1 67 . 1 1 7 7 GLU HB2 H 1 2.08 0.05 . 2 . . . . 160 GLU HB2 . 16012 1 68 . 1 1 7 7 GLU HB3 H 1 2.01 0.05 . 2 . . . . 160 GLU HB3 . 16012 1 69 . 1 1 7 7 GLU HG2 H 1 2.43 0.05 . 2 . . . . 160 GLU HG2 . 16012 1 70 . 1 1 7 7 GLU HG3 H 1 2.35 0.05 . 2 . . . . 160 GLU HG3 . 16012 1 71 . 1 1 7 7 GLU C C 13 177.44 0.5 . 1 . . . . 160 GLU C . 16012 1 72 . 1 1 7 7 GLU CA C 13 59.01 0.5 . 1 . . . . 160 GLU CA . 16012 1 73 . 1 1 7 7 GLU CB C 13 28.22 0.5 . 1 . . . . 160 GLU CB . 16012 1 74 . 1 1 7 7 GLU CG C 13 35.18 0.5 . 1 . . . . 160 GLU CG . 16012 1 75 . 1 1 7 7 GLU N N 15 116.18 0.5 . 1 . . . . 160 GLU N . 16012 1 76 . 1 1 8 8 PHE H H 1 7.86 0.05 . 1 . . . . 161 PHE H . 16012 1 77 . 1 1 8 8 PHE HA H 1 4.33 0.05 . 1 . . . . 161 PHE HA . 16012 1 78 . 1 1 8 8 PHE HB2 H 1 3.27 0.05 . 2 . . . . 161 PHE HB2 . 16012 1 79 . 1 1 8 8 PHE HB3 H 1 3.25 0.05 . 2 . . . . 161 PHE HB3 . 16012 1 80 . 1 1 8 8 PHE HD1 H 1 7.14 0.05 . 3 . . . . 161 PHE HD1 . 16012 1 81 . 1 1 8 8 PHE HD2 H 1 7.14 0.05 . 3 . . . . 161 PHE HD2 . 16012 1 82 . 1 1 8 8 PHE HE1 H 1 6.84 0.05 . 3 . . . . 161 PHE HE1 . 16012 1 83 . 1 1 8 8 PHE HE2 H 1 6.84 0.05 . 3 . . . . 161 PHE HE2 . 16012 1 84 . 1 1 8 8 PHE HZ H 1 6.64 0.05 . 1 . . . . 161 PHE HZ . 16012 1 85 . 1 1 8 8 PHE C C 13 177.13 0.5 . 1 . . . . 161 PHE C . 16012 1 86 . 1 1 8 8 PHE CA C 13 60.33 0.5 . 1 . . . . 161 PHE CA . 16012 1 87 . 1 1 8 8 PHE CB C 13 39.16 0.5 . 1 . . . . 161 PHE CB . 16012 1 88 . 1 1 8 8 PHE CG C 13 139.10 0.5 . 1 . . . . 161 PHE CG . 16012 1 89 . 1 1 8 8 PHE CD1 C 13 131.53 0.5 . 3 . . . . 161 PHE CD1 . 16012 1 90 . 1 1 8 8 PHE CD2 C 13 131.53 0.5 . 3 . . . . 161 PHE CD2 . 16012 1 91 . 1 1 8 8 PHE CE1 C 13 130.00 0.5 . 3 . . . . 161 PHE CE1 . 16012 1 92 . 1 1 8 8 PHE CE2 C 13 130.00 0.5 . 3 . . . . 161 PHE CE2 . 16012 1 93 . 1 1 8 8 PHE CZ C 13 128.29 0.5 . 1 . . . . 161 PHE CZ . 16012 1 94 . 1 1 8 8 PHE N N 15 118.05 0.5 . 1 . . . . 161 PHE N . 16012 1 95 . 1 1 9 9 LEU H H 1 8.24 0.05 . 1 . . . . 162 LEU H . 16012 1 96 . 1 1 9 9 LEU HA H 1 3.99 0.05 . 1 . . . . 162 LEU HA . 16012 1 97 . 1 1 9 9 LEU HB2 H 1 1.55 0.05 . 2 . . . . 162 LEU HB2 . 16012 1 98 . 1 1 9 9 LEU HB3 H 1 2.05 0.05 . 2 . . . . 162 LEU HB3 . 16012 1 99 . 1 1 9 9 LEU HD11 H 1 1.00 0.05 . 2 . . . . 162 LEU HD1 . 16012 1 100 . 1 1 9 9 LEU HD12 H 1 1.00 0.05 . 2 . . . . 162 LEU HD1 . 16012 1 101 . 1 1 9 9 LEU HD13 H 1 1.00 0.05 . 2 . . . . 162 LEU HD1 . 16012 1 102 . 1 1 9 9 LEU HD21 H 1 1.01 0.05 . 2 . . . . 162 LEU HD2 . 16012 1 103 . 1 1 9 9 LEU HD22 H 1 1.01 0.05 . 2 . . . . 162 LEU HD2 . 16012 1 104 . 1 1 9 9 LEU HD23 H 1 1.01 0.05 . 2 . . . . 162 LEU HD2 . 16012 1 105 . 1 1 9 9 LEU HG H 1 2.05 0.05 . 1 . . . . 162 LEU HG . 16012 1 106 . 1 1 9 9 LEU C C 13 177.13 0.5 . 1 . . . . 162 LEU C . 16012 1 107 . 1 1 9 9 LEU CA C 13 57.99 0.5 . 1 . . . . 162 LEU CA . 16012 1 108 . 1 1 9 9 LEU CB C 13 41.51 0.5 . 1 . . . . 162 LEU CB . 16012 1 109 . 1 1 9 9 LEU CD1 C 13 25.26 0.5 . 2 . . . . 162 LEU CD1 . 16012 1 110 . 1 1 9 9 LEU CD2 C 13 22.84 0.5 . 2 . . . . 162 LEU CD2 . 16012 1 111 . 1 1 9 9 LEU CG C 13 26.43 0.5 . 1 . . . . 162 LEU CG . 16012 1 112 . 1 1 9 9 LEU N N 15 119.11 0.5 . 1 . . . . 162 LEU N . 16012 1 113 . 1 1 10 10 LYS H H 1 7.95 0.05 . 1 . . . . 163 LYS H . 16012 1 114 . 1 1 10 10 LYS HA H 1 3.92 0.05 . 1 . . . . 163 LYS HA . 16012 1 115 . 1 1 10 10 LYS HB2 H 1 1.94 0.05 . 2 . . . . 163 LYS HB2 . 16012 1 116 . 1 1 10 10 LYS HB3 H 1 1.90 0.05 . 2 . . . . 163 LYS HB3 . 16012 1 117 . 1 1 10 10 LYS HD2 H 1 1.73 0.05 . 2 . . . . 163 LYS HD2 . 16012 1 118 . 1 1 10 10 LYS HD3 H 1 1.70 0.05 . 2 . . . . 163 LYS HD3 . 16012 1 119 . 1 1 10 10 LYS HE2 H 1 2.89 0.05 . 2 . . . . 163 LYS HE2 . 16012 1 120 . 1 1 10 10 LYS HE3 H 1 2.85 0.05 . 2 . . . . 163 LYS HE3 . 16012 1 121 . 1 1 10 10 LYS HG2 H 1 1.64 0.05 . 2 . . . . 163 LYS HG2 . 16012 1 122 . 1 1 10 10 LYS HG3 H 1 1.42 0.05 . 2 . . . . 163 LYS HG3 . 16012 1 123 . 1 1 10 10 LYS C C 13 174.01 0.5 . 1 . . . . 163 LYS C . 16012 1 124 . 1 1 10 10 LYS CA C 13 58.85 0.5 . 1 . . . . 163 LYS CA . 16012 1 125 . 1 1 10 10 LYS CB C 13 32.29 0.5 . 1 . . . . 163 LYS CB . 16012 1 126 . 1 1 10 10 LYS CD C 13 29.32 0.5 . 1 . . . . 163 LYS CD . 16012 1 127 . 1 1 10 10 LYS CE C 13 41.59 0.5 . 1 . . . . 163 LYS CE . 16012 1 128 . 1 1 10 10 LYS CG C 13 25.65 0.5 . 1 . . . . 163 LYS CG . 16012 1 129 . 1 1 10 10 LYS N N 15 115.32 0.5 . 1 . . . . 163 LYS N . 16012 1 130 . 1 1 11 11 VAL H H 1 6.94 0.05 . 1 . . . . 164 VAL H . 16012 1 131 . 1 1 11 11 VAL HA H 1 4.18 0.05 . 1 . . . . 164 VAL HA . 16012 1 132 . 1 1 11 11 VAL HB H 1 1.96 0.05 . 1 . . . . 164 VAL HB . 16012 1 133 . 1 1 11 11 VAL HG11 H 1 0.83 0.05 . 2 . . . . 164 VAL HG1 . 16012 1 134 . 1 1 11 11 VAL HG12 H 1 0.83 0.05 . 2 . . . . 164 VAL HG1 . 16012 1 135 . 1 1 11 11 VAL HG13 H 1 0.83 0.05 . 2 . . . . 164 VAL HG1 . 16012 1 136 . 1 1 11 11 VAL HG21 H 1 0.97 0.05 . 2 . . . . 164 VAL HG2 . 16012 1 137 . 1 1 11 11 VAL HG22 H 1 0.97 0.05 . 2 . . . . 164 VAL HG2 . 16012 1 138 . 1 1 11 11 VAL HG23 H 1 0.97 0.05 . 2 . . . . 164 VAL HG2 . 16012 1 139 . 1 1 11 11 VAL C C 13 177.29 0.5 . 1 . . . . 164 VAL C . 16012 1 140 . 1 1 11 11 VAL CA C 13 62.68 0.5 . 1 . . . . 164 VAL CA . 16012 1 141 . 1 1 11 11 VAL CB C 13 32.68 0.5 . 1 . . . . 164 VAL CB . 16012 1 142 . 1 1 11 11 VAL CG1 C 13 21.19 0.5 . 2 . . . . 164 VAL CG1 . 16012 1 143 . 1 1 11 11 VAL CG2 C 13 21.12 0.5 . 2 . . . . 164 VAL CG2 . 16012 1 144 . 1 1 11 11 VAL N N 15 110.25 0.5 . 1 . . . . 164 VAL N . 16012 1 145 . 1 1 12 12 PHE H H 1 8.61 0.05 . 1 . . . . 165 PHE H . 16012 1 146 . 1 1 12 12 PHE HA H 1 4.18 0.05 . 1 . . . . 165 PHE HA . 16012 1 147 . 1 1 12 12 PHE HB2 H 1 2.60 0.05 . 2 . . . . 165 PHE HB2 . 16012 1 148 . 1 1 12 12 PHE HB3 H 1 2.56 0.05 . 2 . . . . 165 PHE HB3 . 16012 1 149 . 1 1 12 12 PHE HD1 H 1 7.04 0.05 . 3 . . . . 165 PHE HD1 . 16012 1 150 . 1 1 12 12 PHE HD2 H 1 7.04 0.05 . 3 . . . . 165 PHE HD2 . 16012 1 151 . 1 1 12 12 PHE HE1 H 1 7.24 0.05 . 3 . . . . 165 PHE HE1 . 16012 1 152 . 1 1 12 12 PHE HE2 H 1 7.24 0.05 . 3 . . . . 165 PHE HE2 . 16012 1 153 . 1 1 12 12 PHE HZ H 1 7.21 0.05 . 1 . . . . 165 PHE HZ . 16012 1 154 . 1 1 12 12 PHE C C 13 175.72 0.5 . 1 . . . . 165 PHE C . 16012 1 155 . 1 1 12 12 PHE CA C 13 60.41 0.5 . 1 . . . . 165 PHE CA . 16012 1 156 . 1 1 12 12 PHE CB C 13 40.33 0.5 . 1 . . . . 165 PHE CB . 16012 1 157 . 1 1 12 12 PHE CG C 13 138.10 0.5 . 1 . . . . 165 PHE CG . 16012 1 158 . 1 1 12 12 PHE CD1 C 13 131.06 0.5 . 3 . . . . 165 PHE CD1 . 16012 1 159 . 1 1 12 12 PHE CD2 C 13 131.06 0.5 . 3 . . . . 165 PHE CD2 . 16012 1 160 . 1 1 12 12 PHE CE1 C 13 130.18 0.5 . 3 . . . . 165 PHE CE1 . 16012 1 161 . 1 1 12 12 PHE CE2 C 13 130.18 0.5 . 3 . . . . 165 PHE CE2 . 16012 1 162 . 1 1 12 12 PHE CZ C 13 128.69 0.5 . 1 . . . . 165 PHE CZ . 16012 1 163 . 1 1 12 12 PHE N N 15 121.29 0.5 . 1 . . . . 165 PHE N . 16012 1 164 . 1 1 13 13 LEU H H 1 8.42 0.05 . 1 . . . . 166 LEU H . 16012 1 165 . 1 1 13 13 LEU HA H 1 4.16 0.05 . 1 . . . . 166 LEU HA . 16012 1 166 . 1 1 13 13 LEU HB2 H 1 1.95 0.05 . 1 . . . . 166 LEU HB2 . 16012 1 167 . 1 1 13 13 LEU HB3 H 1 1.50 0.05 . 1 . . . . 166 LEU HB3 . 16012 1 168 . 1 1 13 13 LEU HD11 H 1 0.97 0.05 . 1 . . . . 166 LEU HD1 . 16012 1 169 . 1 1 13 13 LEU HD12 H 1 0.97 0.05 . 1 . . . . 166 LEU HD1 . 16012 1 170 . 1 1 13 13 LEU HD13 H 1 0.97 0.05 . 1 . . . . 166 LEU HD1 . 16012 1 171 . 1 1 13 13 LEU HD21 H 1 0.90 0.05 . 1 . . . . 166 LEU HD2 . 16012 1 172 . 1 1 13 13 LEU HD22 H 1 0.90 0.05 . 1 . . . . 166 LEU HD2 . 16012 1 173 . 1 1 13 13 LEU HD23 H 1 0.90 0.05 . 1 . . . . 166 LEU HD2 . 16012 1 174 . 1 1 13 13 LEU HG H 1 1.85 0.05 . 1 . . . . 166 LEU HG . 16012 1 175 . 1 1 13 13 LEU CA C 13 59.09 0.5 . 1 . . . . 166 LEU CA . 16012 1 176 . 1 1 13 13 LEU CB C 13 38.38 0.5 . 1 . . . . 166 LEU CB . 16012 1 177 . 1 1 13 13 LEU CD1 C 13 24.87 0.5 . 1 . . . . 166 LEU CD1 . 16012 1 178 . 1 1 13 13 LEU CD2 C 13 22.84 0.5 . 1 . . . . 166 LEU CD2 . 16012 1 179 . 1 1 13 13 LEU CG C 13 26.98 0.5 . 1 . . . . 166 LEU CG . 16012 1 180 . 1 1 13 13 LEU N N 15 115.42 0.5 . 1 . . . . 166 LEU N . 16012 1 181 . 1 1 14 14 PRO HA H 1 4.13 0.05 . 1 . . . . 167 PRO HA . 16012 1 182 . 1 1 14 14 PRO HB2 H 1 2.09 0.05 . 2 . . . . 167 PRO HB2 . 16012 1 183 . 1 1 14 14 PRO HB3 H 1 1.81 0.05 . 2 . . . . 167 PRO HB3 . 16012 1 184 . 1 1 14 14 PRO HD2 H 1 3.55 0.05 . 2 . . . . 167 PRO HD2 . 16012 1 185 . 1 1 14 14 PRO HD3 H 1 3.50 0.05 . 2 . . . . 167 PRO HD3 . 16012 1 186 . 1 1 14 14 PRO HG2 H 1 2.46 0.05 . 2 . . . . 167 PRO HG2 . 16012 1 187 . 1 1 14 14 PRO HG3 H 1 1.84 0.05 . 2 . . . . 167 PRO HG3 . 16012 1 188 . 1 1 14 14 PRO C C 13 177.15 0.5 . 1 . . . . 167 PRO C . 16012 1 189 . 1 1 14 14 PRO CA C 13 65.80 0.5 . 1 . . . . 167 PRO CA . 16012 1 190 . 1 1 14 14 PRO CB C 13 30.34 0.5 . 1 . . . . 167 PRO CB . 16012 1 191 . 1 1 14 14 PRO CD C 13 49.71 0.5 . 1 . . . . 167 PRO CD . 16012 1 192 . 1 1 14 14 PRO CG C 13 28.15 0.5 . 1 . . . . 167 PRO CG . 16012 1 193 . 1 1 15 15 SER H H 1 7.15 0.05 . 1 . . . . 168 SER H . 16012 1 194 . 1 1 15 15 SER HA H 1 4.04 0.05 . 1 . . . . 168 SER HA . 16012 1 195 . 1 1 15 15 SER HB2 H 1 4.02 0.05 . 2 . . . . 168 SER HB2 . 16012 1 196 . 1 1 15 15 SER HB3 H 1 3.68 0.05 . 2 . . . . 168 SER HB3 . 16012 1 197 . 1 1 15 15 SER C C 13 174.16 0.5 . 1 . . . . 168 SER C . 16012 1 198 . 1 1 15 15 SER CA C 13 63.33 0.5 . 1 . . . . 168 SER CA . 16012 1 199 . 1 1 15 15 SER CB C 13 62.06 0.5 . 1 . . . . 168 SER CB . 16012 1 200 . 1 1 15 15 SER N N 15 112.33 0.5 . 1 . . . . 168 SER N . 16012 1 201 . 1 1 16 16 LEU H H 1 7.77 0.05 . 1 . . . . 169 LEU H . 16012 1 202 . 1 1 16 16 LEU HA H 1 4.80 0.05 . 1 . . . . 169 LEU HA . 16012 1 203 . 1 1 16 16 LEU HB2 H 1 1.71 0.05 . 1 . . . . 169 LEU HB2 . 16012 1 204 . 1 1 16 16 LEU HB3 H 1 1.32 0.05 . 1 . . . . 169 LEU HB3 . 16012 1 205 . 1 1 16 16 LEU HD11 H 1 0.74 0.05 . 1 . . . . 169 LEU HD1 . 16012 1 206 . 1 1 16 16 LEU HD12 H 1 0.74 0.05 . 1 . . . . 169 LEU HD1 . 16012 1 207 . 1 1 16 16 LEU HD13 H 1 0.74 0.05 . 1 . . . . 169 LEU HD1 . 16012 1 208 . 1 1 16 16 LEU HD21 H 1 0.83 0.05 . 1 . . . . 169 LEU HD2 . 16012 1 209 . 1 1 16 16 LEU HD22 H 1 0.83 0.05 . 1 . . . . 169 LEU HD2 . 16012 1 210 . 1 1 16 16 LEU HD23 H 1 0.83 0.05 . 1 . . . . 169 LEU HD2 . 16012 1 211 . 1 1 16 16 LEU HG H 1 1.57 0.05 . 1 . . . . 169 LEU HG . 16012 1 212 . 1 1 16 16 LEU C C 13 180.10 0.5 . 1 . . . . 169 LEU C . 16012 1 213 . 1 1 16 16 LEU CA C 13 55.34 0.5 . 1 . . . . 169 LEU CA . 16012 1 214 . 1 1 16 16 LEU CB C 13 41.98 0.5 . 1 . . . . 169 LEU CB . 16012 1 215 . 1 1 16 16 LEU CD1 C 13 25.10 0.5 . 1 . . . . 169 LEU CD1 . 16012 1 216 . 1 1 16 16 LEU CD2 C 13 23.62 0.5 . 1 . . . . 169 LEU CD2 . 16012 1 217 . 1 1 16 16 LEU CG C 13 26.04 0.5 . 1 . . . . 169 LEU CG . 16012 1 218 . 1 1 16 16 LEU N N 15 120.48 0.5 . 1 . . . . 169 LEU N . 16012 1 219 . 1 1 17 17 LEU H H 1 8.05 0.05 . 1 . . . . 170 LEU H . 16012 1 220 . 1 1 17 17 LEU HA H 1 4.07 0.05 . 1 . . . . 170 LEU HA . 16012 1 221 . 1 1 17 17 LEU HB2 H 1 1.70 0.05 . 1 . . . . 170 LEU HB2 . 16012 1 222 . 1 1 17 17 LEU HB3 H 1 1.73 0.05 . 1 . . . . 170 LEU HB3 . 16012 1 223 . 1 1 17 17 LEU HD11 H 1 0.82 0.05 . 1 . . . . 170 LEU HD1 . 16012 1 224 . 1 1 17 17 LEU HD12 H 1 0.82 0.05 . 1 . . . . 170 LEU HD1 . 16012 1 225 . 1 1 17 17 LEU HD13 H 1 0.82 0.05 . 1 . . . . 170 LEU HD1 . 16012 1 226 . 1 1 17 17 LEU HD21 H 1 0.78 0.05 . 1 . . . . 170 LEU HD2 . 16012 1 227 . 1 1 17 17 LEU HD22 H 1 0.78 0.05 . 1 . . . . 170 LEU HD2 . 16012 1 228 . 1 1 17 17 LEU HD23 H 1 0.78 0.05 . 1 . . . . 170 LEU HD2 . 16012 1 229 . 1 1 17 17 LEU HG H 1 1.67 0.05 . 1 . . . . 170 LEU HG . 16012 1 230 . 1 1 17 17 LEU C C 13 176.97 0.5 . 1 . . . . 170 LEU C . 16012 1 231 . 1 1 17 17 LEU CA C 13 57.91 0.5 . 1 . . . . 170 LEU CA . 16012 1 232 . 1 1 17 17 LEU CB C 13 40.80 0.5 . 1 . . . . 170 LEU CB . 16012 1 233 . 1 1 17 17 LEU CD1 C 13 23.77 0.5 . 1 . . . . 170 LEU CD1 . 16012 1 234 . 1 1 17 17 LEU CD2 C 13 23.85 0.5 . 1 . . . . 170 LEU CD2 . 16012 1 235 . 1 1 17 17 LEU CG C 13 26.51 0.5 . 1 . . . . 170 LEU CG . 16012 1 236 . 1 1 17 17 LEU N N 15 122.15 0.5 . 1 . . . . 170 LEU N . 16012 1 237 . 1 1 18 18 LEU H H 1 7.94 0.05 . 1 . . . . 171 LEU H . 16012 1 238 . 1 1 18 18 LEU HA H 1 3.99 0.05 . 1 . . . . 171 LEU HA . 16012 1 239 . 1 1 18 18 LEU HB2 H 1 1.77 0.05 . 1 . . . . 171 LEU HB2 . 16012 1 240 . 1 1 18 18 LEU HB3 H 1 1.75 0.05 . 1 . . . . 171 LEU HB3 . 16012 1 241 . 1 1 18 18 LEU HD11 H 1 0.84 0.05 . 1 . . . . 171 LEU HD1 . 16012 1 242 . 1 1 18 18 LEU HD12 H 1 0.84 0.05 . 1 . . . . 171 LEU HD1 . 16012 1 243 . 1 1 18 18 LEU HD13 H 1 0.84 0.05 . 1 . . . . 171 LEU HD1 . 16012 1 244 . 1 1 18 18 LEU HD21 H 1 0.88 0.05 . 1 . . . . 171 LEU HD2 . 16012 1 245 . 1 1 18 18 LEU HD22 H 1 0.88 0.05 . 1 . . . . 171 LEU HD2 . 16012 1 246 . 1 1 18 18 LEU HD23 H 1 0.88 0.05 . 1 . . . . 171 LEU HD2 . 16012 1 247 . 1 1 18 18 LEU HG H 1 1.70 0.05 . 1 . . . . 171 LEU HG . 16012 1 248 . 1 1 18 18 LEU C C 13 177.91 0.5 . 1 . . . . 171 LEU C . 16012 1 249 . 1 1 18 18 LEU CA C 13 57.76 0.5 . 1 . . . . 171 LEU CA . 16012 1 250 . 1 1 18 18 LEU CB C 13 41.12 0.5 . 1 . . . . 171 LEU CB . 16012 1 251 . 1 1 18 18 LEU CD1 C 13 23.96 0.5 . 1 . . . . 171 LEU CD1 . 16012 1 252 . 1 1 18 18 LEU CD2 C 13 23.56 0.5 . 1 . . . . 171 LEU CD2 . 16012 1 253 . 1 1 18 18 LEU CG C 13 26.59 0.5 . 1 . . . . 171 LEU CG . 16012 1 254 . 1 1 18 18 LEU N N 15 117.49 0.5 . 1 . . . . 171 LEU N . 16012 1 255 . 1 1 19 19 SER H H 1 8.97 0.05 . 1 . . . . 172 SER H . 16012 1 256 . 1 1 19 19 SER HA H 1 3.84 0.05 . 1 . . . . 172 SER HA . 16012 1 257 . 1 1 19 19 SER HB2 H 1 3.73 0.05 . 2 . . . . 172 SER HB2 . 16012 1 258 . 1 1 19 19 SER HB3 H 1 3.89 0.05 . 2 . . . . 172 SER HB3 . 16012 1 259 . 1 1 19 19 SER C C 13 176.82 0.5 . 1 . . . . 172 SER C . 16012 1 260 . 1 1 19 19 SER CA C 13 63.19 0.5 . 1 . . . . 172 SER CA . 16012 1 261 . 1 1 19 19 SER CB C 13 59.73 0.5 . 1 . . . . 172 SER CB . 16012 1 262 . 1 1 19 19 SER N N 15 115.97 0.5 . 1 . . . . 172 SER N . 16012 1 263 . 1 1 20 20 HIS H H 1 7.60 0.05 . 1 . . . . 173 HIS H . 16012 1 264 . 1 1 20 20 HIS HA H 1 4.08 0.05 . 1 . . . . 173 HIS HA . 16012 1 265 . 1 1 20 20 HIS HB2 H 1 2.91 0.05 . 1 . . . . 173 HIS HB2 . 16012 1 266 . 1 1 20 20 HIS HB3 H 1 2.73 0.05 . 1 . . . . 173 HIS HB3 . 16012 1 267 . 1 1 20 20 HIS HD2 H 1 6.15 0.05 . 1 . . . . 173 HIS HD2 . 16012 1 268 . 1 1 20 20 HIS HE1 H 1 6.82 0.05 . 1 . . . . 173 HIS HE1 . 16012 1 269 . 1 1 20 20 HIS C C 13 176.97 0.5 . 1 . . . . 173 HIS C . 16012 1 270 . 1 1 20 20 HIS CA C 13 62.22 0.5 . 1 . . . . 173 HIS CA . 16012 1 271 . 1 1 20 20 HIS CB C 13 27.44 0.5 . 1 . . . . 173 HIS CB . 16012 1 272 . 1 1 20 20 HIS CG C 13 128.00 0.5 . 1 . . . . 173 HIS CG . 16012 1 273 . 1 1 20 20 HIS CD2 C 13 126.31 0.5 . 1 . . . . 173 HIS CD2 . 16012 1 274 . 1 1 20 20 HIS CE1 C 13 135.45 0.5 . 1 . . . . 173 HIS CE1 . 16012 1 275 . 1 1 20 20 HIS N N 15 119.72 0.5 . 1 . . . . 173 HIS N . 16012 1 276 . 1 1 21 21 LEU H H 1 8.20 0.05 . 1 . . . . 174 LEU H . 16012 1 277 . 1 1 21 21 LEU HA H 1 4.07 0.05 . 1 . . . . 174 LEU HA . 16012 1 278 . 1 1 21 21 LEU HB2 H 1 1.98 0.05 . 1 . . . . 174 LEU HB2 . 16012 1 279 . 1 1 21 21 LEU HB3 H 1 1.51 0.05 . 1 . . . . 174 LEU HB3 . 16012 1 280 . 1 1 21 21 LEU HD11 H 1 0.79 0.05 . 1 . . . . 174 LEU HD1 . 16012 1 281 . 1 1 21 21 LEU HD12 H 1 0.79 0.05 . 1 . . . . 174 LEU HD1 . 16012 1 282 . 1 1 21 21 LEU HD13 H 1 0.79 0.05 . 1 . . . . 174 LEU HD1 . 16012 1 283 . 1 1 21 21 LEU HD21 H 1 0.78 0.05 . 1 . . . . 174 LEU HD2 . 16012 1 284 . 1 1 21 21 LEU HD22 H 1 0.78 0.05 . 1 . . . . 174 LEU HD2 . 16012 1 285 . 1 1 21 21 LEU HD23 H 1 0.78 0.05 . 1 . . . . 174 LEU HD2 . 16012 1 286 . 1 1 21 21 LEU HG H 1 1.87 0.05 . 1 . . . . 174 LEU HG . 16012 1 287 . 1 1 21 21 LEU C C 13 178.22 0.5 . 1 . . . . 174 LEU C . 16012 1 288 . 1 1 21 21 LEU CA C 13 57.91 0.5 . 1 . . . . 174 LEU CA . 16012 1 289 . 1 1 21 21 LEU CB C 13 40.96 0.5 . 1 . . . . 174 LEU CB . 16012 1 290 . 1 1 21 21 LEU CD1 C 13 24.48 0.5 . 1 . . . . 174 LEU CD1 . 16012 1 291 . 1 1 21 21 LEU CD2 C 13 22.91 0.5 . 1 . . . . 174 LEU CD2 . 16012 1 292 . 1 1 21 21 LEU CG C 13 26.27 0.5 . 1 . . . . 174 LEU CG . 16012 1 293 . 1 1 21 21 LEU N N 15 120.78 0.5 . 1 . . . . 174 LEU N . 16012 1 294 . 1 1 22 22 LEU H H 1 8.51 0.05 . 1 . . . . 175 LEU H . 16012 1 295 . 1 1 22 22 LEU HA H 1 3.93 0.05 . 1 . . . . 175 LEU HA . 16012 1 296 . 1 1 22 22 LEU HB2 H 1 1.93 0.05 . 1 . . . . 175 LEU HB2 . 16012 1 297 . 1 1 22 22 LEU HB3 H 1 1.45 0.05 . 1 . . . . 175 LEU HB3 . 16012 1 298 . 1 1 22 22 LEU HD11 H 1 0.79 0.05 . 1 . . . . 175 LEU HD1 . 16012 1 299 . 1 1 22 22 LEU HD12 H 1 0.79 0.05 . 1 . . . . 175 LEU HD1 . 16012 1 300 . 1 1 22 22 LEU HD13 H 1 0.79 0.05 . 1 . . . . 175 LEU HD1 . 16012 1 301 . 1 1 22 22 LEU HD21 H 1 0.77 0.05 . 1 . . . . 175 LEU HD2 . 16012 1 302 . 1 1 22 22 LEU HD22 H 1 0.77 0.05 . 1 . . . . 175 LEU HD2 . 16012 1 303 . 1 1 22 22 LEU HD23 H 1 0.77 0.05 . 1 . . . . 175 LEU HD2 . 16012 1 304 . 1 1 22 22 LEU HG H 1 1.84 0.05 . 1 . . . . 175 LEU HG . 16012 1 305 . 1 1 22 22 LEU C C 13 177.44 0.5 . 1 . . . . 175 LEU C . 16012 1 306 . 1 1 22 22 LEU CA C 13 57.76 0.5 . 1 . . . . 175 LEU CA . 16012 1 307 . 1 1 22 22 LEU CB C 13 40.80 0.5 . 1 . . . . 175 LEU CB . 16012 1 308 . 1 1 22 22 LEU CD1 C 13 24.63 0.5 . 1 . . . . 175 LEU CD1 . 16012 1 309 . 1 1 22 22 LEU CD2 C 13 22.84 0.5 . 1 . . . . 175 LEU CD2 . 16012 1 310 . 1 1 22 22 LEU CG C 13 26.19 0.5 . 1 . . . . 175 LEU CG . 16012 1 311 . 1 1 22 22 LEU N N 15 118.60 0.5 . 1 . . . . 175 LEU N . 16012 1 312 . 1 1 23 23 ALA H H 1 7.83 0.05 . 1 . . . . 176 ALA H . 16012 1 313 . 1 1 23 23 ALA HA H 1 3.97 0.05 . 1 . . . . 176 ALA HA . 16012 1 314 . 1 1 23 23 ALA HB1 H 1 1.75 0.05 . 1 . . . . 176 ALA HB . 16012 1 315 . 1 1 23 23 ALA HB2 H 1 1.75 0.05 . 1 . . . . 176 ALA HB . 16012 1 316 . 1 1 23 23 ALA HB3 H 1 1.75 0.05 . 1 . . . . 176 ALA HB . 16012 1 317 . 1 1 23 23 ALA C C 13 178.22 0.5 . 1 . . . . 176 ALA C . 16012 1 318 . 1 1 23 23 ALA CA C 13 55.26 0.5 . 1 . . . . 176 ALA CA . 16012 1 319 . 1 1 23 23 ALA CB C 13 18.07 0.5 . 1 . . . . 176 ALA CB . 16012 1 320 . 1 1 23 23 ALA N N 15 121.03 0.5 . 1 . . . . 176 ALA N . 16012 1 321 . 1 1 24 24 ILE H H 1 8.21 0.05 . 1 . . . . 177 ILE H . 16012 1 322 . 1 1 24 24 ILE HA H 1 3.90 0.05 . 1 . . . . 177 ILE HA . 16012 1 323 . 1 1 24 24 ILE HB H 1 2.06 0.05 . 1 . . . . 177 ILE HB . 16012 1 324 . 1 1 24 24 ILE HD11 H 1 0.82 0.05 . 1 . . . . 177 ILE HD1 . 16012 1 325 . 1 1 24 24 ILE HD12 H 1 0.82 0.05 . 1 . . . . 177 ILE HD1 . 16012 1 326 . 1 1 24 24 ILE HD13 H 1 0.82 0.05 . 1 . . . . 177 ILE HD1 . 16012 1 327 . 1 1 24 24 ILE HG12 H 1 1.20 0.05 . 2 . . . . 177 ILE HG12 . 16012 1 328 . 1 1 24 24 ILE HG13 H 1 2.18 0.05 . 2 . . . . 177 ILE HG13 . 16012 1 329 . 1 1 24 24 ILE HG21 H 1 0.85 0.05 . 1 . . . . 177 ILE HG2 . 16012 1 330 . 1 1 24 24 ILE HG22 H 1 0.85 0.05 . 1 . . . . 177 ILE HG2 . 16012 1 331 . 1 1 24 24 ILE HG23 H 1 0.85 0.05 . 1 . . . . 177 ILE HG2 . 16012 1 332 . 1 1 24 24 ILE C C 13 178.38 0.5 . 1 . . . . 177 ILE C . 16012 1 333 . 1 1 24 24 ILE CA C 13 64.87 0.5 . 1 . . . . 177 ILE CA . 16012 1 334 . 1 1 24 24 ILE CB C 13 37.37 0.5 . 1 . . . . 177 ILE CB . 16012 1 335 . 1 1 24 24 ILE CD1 C 13 13.07 0.5 . 1 . . . . 177 ILE CD1 . 16012 1 336 . 1 1 24 24 ILE CG1 C 13 28.46 0.5 . 1 . . . . 177 ILE CG1 . 16012 1 337 . 1 1 24 24 ILE CG2 C 13 16.43 0.5 . 1 . . . . 177 ILE CG2 . 16012 1 338 . 1 1 24 24 ILE N N 15 118.33 0.5 . 1 . . . . 177 ILE N . 16012 1 339 . 1 1 25 25 GLY H H 1 8.59 0.05 . 1 . . . . 178 GLY H . 16012 1 340 . 1 1 25 25 GLY HA2 H 1 3.60 0.05 . 2 . . . . 178 GLY HA2 . 16012 1 341 . 1 1 25 25 GLY HA3 H 1 3.63 0.05 . 2 . . . . 178 GLY HA3 . 16012 1 342 . 1 1 25 25 GLY C C 13 173.85 0.5 . 1 . . . . 178 GLY C . 16012 1 343 . 1 1 25 25 GLY CA C 13 47.53 0.5 . 1 . . . . 178 GLY CA . 16012 1 344 . 1 1 25 25 GLY N N 15 107.32 0.5 . 1 . . . . 178 GLY N . 16012 1 345 . 1 1 26 26 LEU H H 1 8.83 0.05 . 1 . . . . 179 LEU H . 16012 1 346 . 1 1 26 26 LEU HA H 1 4.11 0.05 . 1 . . . . 179 LEU HA . 16012 1 347 . 1 1 26 26 LEU HB2 H 1 2.03 0.05 . 1 . . . . 179 LEU HB2 . 16012 1 348 . 1 1 26 26 LEU HB3 H 1 1.64 0.05 . 1 . . . . 179 LEU HB3 . 16012 1 349 . 1 1 26 26 LEU HD11 H 1 0.87 0.05 . 1 . . . . 179 LEU HD1 . 16012 1 350 . 1 1 26 26 LEU HD12 H 1 0.87 0.05 . 1 . . . . 179 LEU HD1 . 16012 1 351 . 1 1 26 26 LEU HD13 H 1 0.87 0.05 . 1 . . . . 179 LEU HD1 . 16012 1 352 . 1 1 26 26 LEU HD21 H 1 0.94 0.05 . 1 . . . . 179 LEU HD2 . 16012 1 353 . 1 1 26 26 LEU HD22 H 1 0.94 0.05 . 1 . . . . 179 LEU HD2 . 16012 1 354 . 1 1 26 26 LEU HD23 H 1 0.94 0.05 . 1 . . . . 179 LEU HD2 . 16012 1 355 . 1 1 26 26 LEU HG H 1 1.71 0.05 . 1 . . . . 179 LEU HG . 16012 1 356 . 1 1 26 26 LEU C C 13 178.22 0.5 . 1 . . . . 179 LEU C . 16012 1 357 . 1 1 26 26 LEU CA C 13 57.60 0.5 . 1 . . . . 179 LEU CA . 16012 1 358 . 1 1 26 26 LEU CB C 13 41.04 0.5 . 1 . . . . 179 LEU CB . 16012 1 359 . 1 1 26 26 LEU CD1 C 13 24.79 0.5 . 1 . . . . 179 LEU CD1 . 16012 1 360 . 1 1 26 26 LEU CD2 C 13 23.07 0.5 . 1 . . . . 179 LEU CD2 . 16012 1 361 . 1 1 26 26 LEU CG C 13 26.43 0.5 . 1 . . . . 179 LEU CG . 16012 1 362 . 1 1 26 26 LEU N N 15 122.35 0.5 . 1 . . . . 179 LEU N . 16012 1 363 . 1 1 27 27 GLY H H 1 8.52 0.05 . 1 . . . . 180 GLY H . 16012 1 364 . 1 1 27 27 GLY HA2 H 1 3.76 0.05 . 2 . . . . 180 GLY HA2 . 16012 1 365 . 1 1 27 27 GLY HA3 H 1 4.52 0.05 . 2 . . . . 180 GLY HA3 . 16012 1 366 . 1 1 27 27 GLY C C 13 174.16 0.5 . 1 . . . . 180 GLY C . 16012 1 367 . 1 1 27 27 GLY CA C 13 47.92 0.5 . 1 . . . . 180 GLY CA . 16012 1 368 . 1 1 27 27 GLY N N 15 106.26 0.5 . 1 . . . . 180 GLY N . 16012 1 369 . 1 1 28 28 ILE H H 1 8.78 0.05 . 1 . . . . 181 ILE H . 16012 1 370 . 1 1 28 28 ILE HA H 1 3.59 0.05 . 1 . . . . 181 ILE HA . 16012 1 371 . 1 1 28 28 ILE HB H 1 2.15 0.05 . 1 . . . . 181 ILE HB . 16012 1 372 . 1 1 28 28 ILE HD11 H 1 0.84 0.05 . 1 . . . . 181 ILE HD1 . 16012 1 373 . 1 1 28 28 ILE HD12 H 1 0.84 0.05 . 1 . . . . 181 ILE HD1 . 16012 1 374 . 1 1 28 28 ILE HD13 H 1 0.84 0.05 . 1 . . . . 181 ILE HD1 . 16012 1 375 . 1 1 28 28 ILE HG12 H 1 2.14 0.05 . 2 . . . . 181 ILE HG12 . 16012 1 376 . 1 1 28 28 ILE HG13 H 1 1.00 0.05 . 2 . . . . 181 ILE HG13 . 16012 1 377 . 1 1 28 28 ILE HG21 H 1 0.82 0.05 . 1 . . . . 181 ILE HG2 . 16012 1 378 . 1 1 28 28 ILE HG22 H 1 0.82 0.05 . 1 . . . . 181 ILE HG2 . 16012 1 379 . 1 1 28 28 ILE HG23 H 1 0.82 0.05 . 1 . . . . 181 ILE HG2 . 16012 1 380 . 1 1 28 28 ILE C C 13 177.13 0.5 . 1 . . . . 181 ILE C . 16012 1 381 . 1 1 28 28 ILE CA C 13 65.34 0.5 . 1 . . . . 181 ILE CA . 16012 1 382 . 1 1 28 28 ILE CB C 13 36.90 0.5 . 1 . . . . 181 ILE CB . 16012 1 383 . 1 1 28 28 ILE CD1 C 13 13.93 0.5 . 1 . . . . 181 ILE CD1 . 16012 1 384 . 1 1 28 28 ILE CG1 C 13 28.93 0.5 . 1 . . . . 181 ILE CG1 . 16012 1 385 . 1 1 28 28 ILE CG2 C 13 16.90 0.5 . 1 . . . . 181 ILE CG2 . 16012 1 386 . 1 1 28 28 ILE N N 15 123.97 0.5 . 1 . . . . 181 ILE N . 16012 1 387 . 1 1 29 29 TYR H H 1 8.11 0.05 . 1 . . . . 182 TYR H . 16012 1 388 . 1 1 29 29 TYR HA H 1 3.88 0.05 . 1 . . . . 182 TYR HA . 16012 1 389 . 1 1 29 29 TYR HB2 H 1 3.49 0.05 . 2 . . . . 182 TYR HB2 . 16012 1 390 . 1 1 29 29 TYR HB3 H 1 2.99 0.05 . 2 . . . . 182 TYR HB3 . 16012 1 391 . 1 1 29 29 TYR HD1 H 1 6.92 0.05 . 3 . . . . 182 TYR HD1 . 16012 1 392 . 1 1 29 29 TYR HD2 H 1 6.92 0.05 . 3 . . . . 182 TYR HD2 . 16012 1 393 . 1 1 29 29 TYR HE1 H 1 6.70 0.05 . 3 . . . . 182 TYR HE1 . 16012 1 394 . 1 1 29 29 TYR HE2 H 1 6.70 0.05 . 3 . . . . 182 TYR HE2 . 16012 1 395 . 1 1 29 29 TYR C C 13 176.97 0.5 . 1 . . . . 182 TYR C . 16012 1 396 . 1 1 29 29 TYR CA C 13 61.90 0.5 . 1 . . . . 182 TYR CA . 16012 1 397 . 1 1 29 29 TYR CB C 13 37.91 0.5 . 1 . . . . 182 TYR CB . 16012 1 398 . 1 1 29 29 TYR CG C 13 128.30 0.5 . 1 . . . . 182 TYR CG . 16012 1 399 . 1 1 29 29 TYR CD1 C 13 132.05 0.5 . 3 . . . . 182 TYR CD1 . 16012 1 400 . 1 1 29 29 TYR CD2 C 13 132.05 0.5 . 3 . . . . 182 TYR CD2 . 16012 1 401 . 1 1 29 29 TYR CE1 C 13 117.41 0.5 . 3 . . . . 182 TYR CE1 . 16012 1 402 . 1 1 29 29 TYR CE2 C 13 117.41 0.5 . 3 . . . . 182 TYR CE2 . 16012 1 403 . 1 1 29 29 TYR N N 15 119.57 0.5 . 1 . . . . 182 TYR N . 16012 1 404 . 1 1 30 30 ILE H H 1 8.49 0.05 . 1 . . . . 183 ILE H . 16012 1 405 . 1 1 30 30 ILE HA H 1 3.40 0.05 . 1 . . . . 183 ILE HA . 16012 1 406 . 1 1 30 30 ILE HB H 1 2.04 0.05 . 1 . . . . 183 ILE HB . 16012 1 407 . 1 1 30 30 ILE HD11 H 1 0.85 0.05 . 1 . . . . 183 ILE HD1 . 16012 1 408 . 1 1 30 30 ILE HD12 H 1 0.85 0.05 . 1 . . . . 183 ILE HD1 . 16012 1 409 . 1 1 30 30 ILE HD13 H 1 0.85 0.05 . 1 . . . . 183 ILE HD1 . 16012 1 410 . 1 1 30 30 ILE HG12 H 1 2.12 0.05 . 2 . . . . 183 ILE HG12 . 16012 1 411 . 1 1 30 30 ILE HG13 H 1 1.06 0.05 . 2 . . . . 183 ILE HG13 . 16012 1 412 . 1 1 30 30 ILE HG21 H 1 0.86 0.05 . 1 . . . . 183 ILE HG2 . 16012 1 413 . 1 1 30 30 ILE HG22 H 1 0.86 0.05 . 1 . . . . 183 ILE HG2 . 16012 1 414 . 1 1 30 30 ILE HG23 H 1 0.86 0.05 . 1 . . . . 183 ILE HG2 . 16012 1 415 . 1 1 30 30 ILE C C 13 177.76 0.5 . 1 . . . . 183 ILE C . 16012 1 416 . 1 1 30 30 ILE CA C 13 65.02 0.5 . 1 . . . . 183 ILE CA . 16012 1 417 . 1 1 30 30 ILE CB C 13 37.60 0.5 . 1 . . . . 183 ILE CB . 16012 1 418 . 1 1 30 30 ILE CD1 C 13 13.15 0.5 . 1 . . . . 183 ILE CD1 . 16012 1 419 . 1 1 30 30 ILE CG1 C 13 28.46 0.5 . 1 . . . . 183 ILE CG1 . 16012 1 420 . 1 1 30 30 ILE CG2 C 13 16.74 0.5 . 1 . . . . 183 ILE CG2 . 16012 1 421 . 1 1 30 30 ILE N N 15 118.00 0.5 . 1 . . . . 183 ILE N . 16012 1 422 . 1 1 31 31 GLY H H 1 9.36 0.05 . 1 . . . . 184 GLY H . 16012 1 423 . 1 1 31 31 GLY HA2 H 1 3.65 0.05 . 2 . . . . 184 GLY HA2 . 16012 1 424 . 1 1 31 31 GLY HA3 H 1 3.94 0.05 . 2 . . . . 184 GLY HA3 . 16012 1 425 . 1 1 31 31 GLY C C 13 174.32 0.5 . 1 . . . . 184 GLY C . 16012 1 426 . 1 1 31 31 GLY CA C 13 47.38 0.5 . 1 . . . . 184 GLY CA . 16012 1 427 . 1 1 31 31 GLY N N 15 106.26 0.5 . 1 . . . . 184 GLY N . 16012 1 428 . 1 1 32 32 ARG H H 1 8.09 0.05 . 1 . . . . 185 ARG H . 16012 1 429 . 1 1 32 32 ARG HA H 1 4.03 0.05 . 1 . . . . 185 ARG HA . 16012 1 430 . 1 1 32 32 ARG HB2 H 1 1.86 0.05 . 2 . . . . 185 ARG HB2 . 16012 1 431 . 1 1 32 32 ARG HB3 H 1 1.78 0.05 . 2 . . . . 185 ARG HB3 . 16012 1 432 . 1 1 32 32 ARG HD2 H 1 3.18 0.05 . 2 . . . . 185 ARG HD2 . 16012 1 433 . 1 1 32 32 ARG HD3 H 1 3.08 0.05 . 2 . . . . 185 ARG HD3 . 16012 1 434 . 1 1 32 32 ARG HE H 1 7.61 0.05 . 1 . . . . 185 ARG HE . 16012 1 435 . 1 1 32 32 ARG HG2 H 1 1.76 0.05 . 2 . . . . 185 ARG HG2 . 16012 1 436 . 1 1 32 32 ARG HG3 H 1 1.74 0.05 . 2 . . . . 185 ARG HG3 . 16012 1 437 . 1 1 32 32 ARG HH11 H 1 6.86 0.05 . 2 . . . . 185 ARG HH11 . 16012 1 438 . 1 1 32 32 ARG HH12 H 1 6.86 0.05 . 2 . . . . 185 ARG HH12 . 16012 1 439 . 1 1 32 32 ARG HH21 H 1 6.86 0.05 . 2 . . . . 185 ARG HH21 . 16012 1 440 . 1 1 32 32 ARG HH22 H 1 6.86 0.05 . 2 . . . . 185 ARG HH22 . 16012 1 441 . 1 1 32 32 ARG C C 13 177.29 0.5 . 1 . . . . 185 ARG C . 16012 1 442 . 1 1 32 32 ARG CA C 13 57.05 0.5 . 1 . . . . 185 ARG CA . 16012 1 443 . 1 1 32 32 ARG CB C 13 29.63 0.5 . 1 . . . . 185 ARG CB . 16012 1 444 . 1 1 32 32 ARG CD C 13 42.60 0.5 . 1 . . . . 185 ARG CD . 16012 1 445 . 1 1 32 32 ARG CG C 13 26.98 0.5 . 1 . . . . 185 ARG CG . 16012 1 446 . 1 1 32 32 ARG CZ C 13 159.47 0.5 . 1 . . . . 185 ARG CZ . 16012 1 447 . 1 1 32 32 ARG N N 15 118.05 0.5 . 1 . . . . 185 ARG N . 16012 1 448 . 1 1 32 32 ARG NE N 15 83.75 0.5 . 1 . . . . 185 ARG NE . 16012 1 449 . 1 1 32 32 ARG NH1 N 15 72.20 0.5 . 2 . . . . 185 ARG NH1 . 16012 1 450 . 1 1 32 32 ARG NH2 N 15 72.20 0.5 . 2 . . . . 185 ARG NH2 . 16012 1 451 . 1 1 33 33 ARG H H 1 7.76 0.05 . 1 . . . . 186 ARG H . 16012 1 452 . 1 1 33 33 ARG HA H 1 4.26 0.05 . 1 . . . . 186 ARG HA . 16012 1 453 . 1 1 33 33 ARG HB2 H 1 1.87 0.05 . 2 . . . . 186 ARG HB2 . 16012 1 454 . 1 1 33 33 ARG HB3 H 1 1.63 0.05 . 2 . . . . 186 ARG HB3 . 16012 1 455 . 1 1 33 33 ARG HD2 H 1 2.92 0.05 . 2 . . . . 186 ARG HD2 . 16012 1 456 . 1 1 33 33 ARG HD3 H 1 2.89 0.05 . 2 . . . . 186 ARG HD3 . 16012 1 457 . 1 1 33 33 ARG HE H 1 7.40 0.05 . 1 . . . . 186 ARG HE . 16012 1 458 . 1 1 33 33 ARG HG2 H 1 1.42 0.05 . 2 . . . . 186 ARG HG2 . 16012 1 459 . 1 1 33 33 ARG HG3 H 1 1.40 0.05 . 2 . . . . 186 ARG HG3 . 16012 1 460 . 1 1 33 33 ARG HH11 H 1 6.83 0.05 . 2 . . . . 186 ARG HH11 . 16012 1 461 . 1 1 33 33 ARG HH12 H 1 6.83 0.05 . 2 . . . . 186 ARG HH12 . 16012 1 462 . 1 1 33 33 ARG HH21 H 1 6.83 0.05 . 2 . . . . 186 ARG HH21 . 16012 1 463 . 1 1 33 33 ARG HH22 H 1 6.83 0.05 . 2 . . . . 186 ARG HH22 . 16012 1 464 . 1 1 33 33 ARG C C 13 176.19 0.5 . 1 . . . . 186 ARG C . 16012 1 465 . 1 1 33 33 ARG CA C 13 55.67 0.5 . 1 . . . . 186 ARG CA . 16012 1 466 . 1 1 33 33 ARG CB C 13 29.71 0.5 . 1 . . . . 186 ARG CB . 16012 1 467 . 1 1 33 33 ARG CD C 13 42.05 0.5 . 1 . . . . 186 ARG CD . 16012 1 468 . 1 1 33 33 ARG CG C 13 26.51 0.5 . 1 . . . . 186 ARG CG . 16012 1 469 . 1 1 33 33 ARG CZ C 13 159.16 0.5 . 1 . . . . 186 ARG CZ . 16012 1 470 . 1 1 33 33 ARG N N 15 117.39 0.5 . 1 . . . . 186 ARG N . 16012 1 471 . 1 1 33 33 ARG NE N 15 84.50 0.5 . 1 . . . . 186 ARG NE . 16012 1 472 . 1 1 33 33 ARG NH1 N 15 72.20 0.5 . 2 . . . . 186 ARG NH1 . 16012 1 473 . 1 1 33 33 ARG NH2 N 15 72.20 0.5 . 2 . . . . 186 ARG NH2 . 16012 1 474 . 1 1 34 34 LEU H H 1 7.53 0.05 . 1 . . . . 187 LEU H . 16012 1 475 . 1 1 34 34 LEU HA H 1 4.39 0.05 . 1 . . . . 187 LEU HA . 16012 1 476 . 1 1 34 34 LEU HB2 H 1 1.66 0.05 . 2 . . . . 187 LEU HB2 . 16012 1 477 . 1 1 34 34 LEU HB3 H 1 1.77 0.05 . 2 . . . . 187 LEU HB3 . 16012 1 478 . 1 1 34 34 LEU HD11 H 1 0.87 0.05 . 2 . . . . 187 LEU HD1 . 16012 1 479 . 1 1 34 34 LEU HD12 H 1 0.87 0.05 . 2 . . . . 187 LEU HD1 . 16012 1 480 . 1 1 34 34 LEU HD13 H 1 0.87 0.05 . 2 . . . . 187 LEU HD1 . 16012 1 481 . 1 1 34 34 LEU HD21 H 1 0.84 0.05 . 2 . . . . 187 LEU HD2 . 16012 1 482 . 1 1 34 34 LEU HD22 H 1 0.84 0.05 . 2 . . . . 187 LEU HD2 . 16012 1 483 . 1 1 34 34 LEU HD23 H 1 0.84 0.05 . 2 . . . . 187 LEU HD2 . 16012 1 484 . 1 1 34 34 LEU HG H 1 1.90 0.05 . 1 . . . . 187 LEU HG . 16012 1 485 . 1 1 34 34 LEU C C 13 175.41 0.5 . 1 . . . . 187 LEU C . 16012 1 486 . 1 1 34 34 LEU CA C 13 54.44 0.5 . 1 . . . . 187 LEU CA . 16012 1 487 . 1 1 34 34 LEU CB C 13 41.59 0.5 . 1 . . . . 187 LEU CB . 16012 1 488 . 1 1 34 34 LEU CD1 C 13 25.49 0.5 . 2 . . . . 187 LEU CD1 . 16012 1 489 . 1 1 34 34 LEU CD2 C 13 22.60 0.5 . 2 . . . . 187 LEU CD2 . 16012 1 490 . 1 1 34 34 LEU CG C 13 25.65 0.5 . 1 . . . . 187 LEU CG . 16012 1 491 . 1 1 34 34 LEU N N 15 119.36 0.5 . 1 . . . . 187 LEU N . 16012 1 492 . 1 1 35 35 THR H H 1 7.43 0.05 . 1 . . . . 188 THR H . 16012 1 493 . 1 1 35 35 THR HA H 1 4.13 0.05 . 1 . . . . 188 THR HA . 16012 1 494 . 1 1 35 35 THR HB H 1 4.24 0.05 . 1 . . . . 188 THR HB . 16012 1 495 . 1 1 35 35 THR HG21 H 1 1.19 0.05 . 1 . . . . 188 THR HG2 . 16012 1 496 . 1 1 35 35 THR HG22 H 1 1.19 0.05 . 1 . . . . 188 THR HG2 . 16012 1 497 . 1 1 35 35 THR HG23 H 1 1.19 0.05 . 1 . . . . 188 THR HG2 . 16012 1 498 . 1 1 35 35 THR CA C 13 62.78 0.5 . 1 . . . . 188 THR CA . 16012 1 499 . 1 1 35 35 THR CB C 13 70.18 0.5 . 1 . . . . 188 THR CB . 16012 1 500 . 1 1 35 35 THR CG2 C 13 21.63 0.5 . 1 . . . . 188 THR CG2 . 16012 1 501 . 1 1 35 35 THR N N 15 116.99 0.5 . 1 . . . . 188 THR N . 16012 1 stop_ save_