data_19390 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19390 _Entry.Title ; Solution structure of the EBNA-2 N-terminal Dimerization (END) domain from the Epstein-Barr virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-26 _Entry.Accession_date 2013-07-26 _Entry.Last_release_date 2015-06-08 _Entry.Original_release_date 2015-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Anders Friberg . . . 19390 2 Michael Sattler . . . 19390 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' . 19390 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EBNA-2 . 19390 'END domain' . 19390 Epstein-Barr . 19390 dimer . 19390 homodimer . 19390 'viral protein' . 19390 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19390 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 211 19390 '15N chemical shifts' 54 19390 '1H chemical shifts' 421 19390 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 1 . . 2015-06-08 . original BMRB . 19390 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19390 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26024477 _Citation.Full_citation . _Citation.Title ; The EBNA-2 N-Terminal Transactivation Domain Folds into a Dimeric Structure Required for Target Gene Activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 5 _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 e1004910 _Citation.Page_last e1004910 _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 Anders Friberg . . . 19390 1 2 Sybille Thumann . . . 19390 1 3 Janosch Hennig . . . 19390 1 4 Peijian Zou . . . 19390 1 5 Paul Ling . D. . 19390 1 6 Michael Sattler . . . 19390 1 7 Bettina Kempkes . . . 19390 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19390 _Assembly.ID 1 _Assembly.Name 'EBNA-2 N-terminal Dimerization (END) domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'END domain, chain 1' 1 $END_domain A . yes native no no . . . 19390 1 2 'END domain, chain 2' 1 $END_domain B . yes native no no . . . 19390 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_END_domain _Entity.Sf_category entity _Entity.Sf_framecode END_domain _Entity.Entry_ID 19390 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name END_domain _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 ; GAMEMPTFYLALHGGQTYHL IVDTDSLGNPSLSVIPSNPY QEQLSDTPLIPLTIFVGENT GV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Amino acids 1-4 represent residual non-native residues present after removal of the affinity and solubility tag.' _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 62 _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 6663.513 _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 yes UNP P12978 . EBNA-2 . . . . . . . . . . . . . . 19390 1 2 no PDB 2N2J . "Solution Structure Of The Ebna-2 N-terminal Dimerization (end) Domain From The Epstein-barr Virus" . . . . . 100.00 62 100.00 100.00 1.98e-35 . . . . 19390 1 3 no DBJ BAP94392 . "Epstein-Barr nuclear antigen 2 [Human herpesvirus 4]" . . . . . 93.55 480 100.00 100.00 5.52e-31 . . . . 19390 1 4 no DBJ BAQ20285 . "Epstein-Barr nuclear antigen 2 [Human herpesvirus 4]" . . . . . 93.55 487 100.00 100.00 4.44e-31 . . . . 19390 1 5 no EMBL CAA24877 . "unnamed protein product [Human herpesvirus 4]" . . . . . 93.55 487 100.00 100.00 4.44e-31 . . . . 19390 1 6 no EMBL CAD53395 . "EBNA-2 nuclear protein [Human herpesvirus 4]" . . . . . 93.55 487 100.00 100.00 4.44e-31 . . . . 19390 1 7 no EMBL CEP79167 . "EBNA-2 [Human herpesvirus 4]" . . . . . 91.94 487 98.25 98.25 3.66e-29 . . . . 19390 1 8 no EMBL CEQ32332 . "EBNA-2 [Human herpesvirus 4]" . . . . . 91.94 488 100.00 100.00 8.99e-30 . . . . 19390 1 9 no EMBL CEQ32414 . "EBNA-2 [Human herpesvirus 4]" . . . . . 91.94 487 98.25 100.00 3.66e-29 . . . . 19390 1 10 no GB AAA45903 . "nuclear protein EBNA2 [Human herpesvirus 4]" . . . . . 93.55 490 100.00 100.00 3.99e-31 . . . . 19390 1 11 no GB AAY41099 . "unknown [Human herpesvirus 4]" . . . . . 93.55 451 98.28 100.00 3.96e-30 . . . . 19390 1 12 no GB AFY97831 . "EBNA-2 [Human herpesvirus 4]" . . . . . 93.55 486 98.28 100.00 1.25e-30 . . . . 19390 1 13 no GB AFY97916 . "EBNA-2 [Human herpesvirus 4]" . . . . . 93.55 486 100.00 100.00 5.03e-31 . . . . 19390 1 14 no GB AGL80643 . "EBNA-2 [Human herpesvirus 4]" . . . . . 93.55 487 98.28 98.28 2.11e-30 . . . . 19390 1 15 no REF YP_401644 . "EBNA-2 nuclear protein [Human herpesvirus 4]" . . . . . 93.55 487 100.00 100.00 4.44e-31 . . . . 19390 1 16 no SP P12978 . "RecName: Full=Epstein-Barr nuclear antigen 2; Short=EBNA-2; Short=EBV nuclear antigen 2" . . . . . 93.55 487 100.00 100.00 4.44e-31 . . . . 19390 1 17 no SP Q3KSV2 . "RecName: Full=Epstein-Barr nuclear antigen 2; Short=EBNA-2; Short=EBV nuclear antigen 2 [Human herpesvirus 4]" . . . . . 93.55 451 98.28 100.00 3.96e-30 . . . . 19390 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 . GLY . 19390 1 2 . ALA . 19390 1 3 . MET . 19390 1 4 . GLU . 19390 1 5 . MET . 19390 1 6 . PRO . 19390 1 7 . THR . 19390 1 8 . PHE . 19390 1 9 . TYR . 19390 1 10 . LEU . 19390 1 11 . ALA . 19390 1 12 . LEU . 19390 1 13 . HIS . 19390 1 14 . GLY . 19390 1 15 . GLY . 19390 1 16 . GLN . 19390 1 17 . THR . 19390 1 18 . TYR . 19390 1 19 . HIS . 19390 1 20 . LEU . 19390 1 21 . ILE . 19390 1 22 . VAL . 19390 1 23 . ASP . 19390 1 24 . THR . 19390 1 25 . ASP . 19390 1 26 . SER . 19390 1 27 . LEU . 19390 1 28 . GLY . 19390 1 29 . ASN . 19390 1 30 . PRO . 19390 1 31 . SER . 19390 1 32 . LEU . 19390 1 33 . SER . 19390 1 34 . VAL . 19390 1 35 . ILE . 19390 1 36 . PRO . 19390 1 37 . SER . 19390 1 38 . ASN . 19390 1 39 . PRO . 19390 1 40 . TYR . 19390 1 41 . GLN . 19390 1 42 . GLU . 19390 1 43 . GLN . 19390 1 44 . LEU . 19390 1 45 . SER . 19390 1 46 . ASP . 19390 1 47 . THR . 19390 1 48 . PRO . 19390 1 49 . LEU . 19390 1 50 . ILE . 19390 1 51 . PRO . 19390 1 52 . LEU . 19390 1 53 . THR . 19390 1 54 . ILE . 19390 1 55 . PHE . 19390 1 56 . VAL . 19390 1 57 . GLY . 19390 1 58 . GLU . 19390 1 59 . ASN . 19390 1 60 . THR . 19390 1 61 . GLY . 19390 1 62 . VAL . 19390 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 19390 1 . ALA 2 2 19390 1 . MET 3 3 19390 1 . GLU 4 4 19390 1 . MET 5 5 19390 1 . PRO 6 6 19390 1 . THR 7 7 19390 1 . PHE 8 8 19390 1 . TYR 9 9 19390 1 . LEU 10 10 19390 1 . ALA 11 11 19390 1 . LEU 12 12 19390 1 . HIS 13 13 19390 1 . GLY 14 14 19390 1 . GLY 15 15 19390 1 . GLN 16 16 19390 1 . THR 17 17 19390 1 . TYR 18 18 19390 1 . HIS 19 19 19390 1 . LEU 20 20 19390 1 . ILE 21 21 19390 1 . VAL 22 22 19390 1 . ASP 23 23 19390 1 . THR 24 24 19390 1 . ASP 25 25 19390 1 . SER 26 26 19390 1 . LEU 27 27 19390 1 . GLY 28 28 19390 1 . ASN 29 29 19390 1 . PRO 30 30 19390 1 . SER 31 31 19390 1 . LEU 32 32 19390 1 . SER 33 33 19390 1 . VAL 34 34 19390 1 . ILE 35 35 19390 1 . PRO 36 36 19390 1 . SER 37 37 19390 1 . ASN 38 38 19390 1 . PRO 39 39 19390 1 . TYR 40 40 19390 1 . GLN 41 41 19390 1 . GLU 42 42 19390 1 . GLN 43 43 19390 1 . LEU 44 44 19390 1 . SER 45 45 19390 1 . ASP 46 46 19390 1 . THR 47 47 19390 1 . PRO 48 48 19390 1 . LEU 49 49 19390 1 . ILE 50 50 19390 1 . PRO 51 51 19390 1 . LEU 52 52 19390 1 . THR 53 53 19390 1 . ILE 54 54 19390 1 . PHE 55 55 19390 1 . VAL 56 56 19390 1 . GLY 57 57 19390 1 . GLU 58 58 19390 1 . ASN 59 59 19390 1 . THR 60 60 19390 1 . GLY 61 61 19390 1 . VAL 62 62 19390 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 19390 _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 $END_domain . 10377 virus . 'Human herpesvirus 4' 'Epstein-Barr virus' . . Viruses . Lymphocryptovirus 'Human herpesvirus 4' B95-8 . . . . . . . . . . . . 19390 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 19390 _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 $END_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET-24d . . 'The modified vector contained a double Z-tag for increased solubility, as well as a 6xHis-tag to facilitate purification.' 19390 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19390 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'END domain' '[U-13C; U-15N]' . . 1 $END_domain . . 1 . . mM . . . . 19390 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19390 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19390 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19390 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19390 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 19390 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 19390 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Buffer: 20 mM sodium phosphate, pH 6.9, 20 mM NaCl, and 0.02% NaN3' 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' 20 . mM 19390 1 pH 6.9 . pH 19390 1 pressure 1 . atm 19390 1 temperature 323 . K 19390 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19390 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19390 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19390 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19390 _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' . . 19390 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19390 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19390 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19390 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19390 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19390 _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' . . 19390 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19390 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19390 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19390 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19390 5 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19390 _Software.ID 6 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 19390 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19390 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 19390 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength various 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 19390 _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 Avance . various . . . 19390 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 19390 _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 . . . . . . . . . . . . . . . . 19390 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19390 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 19390 _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 water protons . . . . ppm 4.534 internal indirect 0.251449530 . . . . . . . . . 19390 1 H 1 water protons . . . . ppm 4.534 internal direct 1.000000000 . . . . . . . . . 19390 1 N 15 water protons . . . . ppm 4.534 internal indirect 0.101329118 . . . . . . . . . 19390 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 19390 _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 3 '3D HNCA' . . . 19390 1 4 '3D HNCACB' . . . 19390 1 5 '3D CBCA(CO)NH' . . . 19390 1 6 '3D HCCH-TOCSY' . . . 19390 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 3.846 0.020 . 2 . . . A 1 GLY HA2 . 19390 1 2 . 1 1 1 1 GLY HA3 H 1 3.846 0.020 . 2 . . . A 1 GLY HA3 . 19390 1 3 . 1 1 1 1 GLY CA C 13 43.923 0.200 . 1 . . . A 1 GLY CA . 19390 1 4 . 1 1 2 2 ALA HA H 1 4.391 0.020 . 1 . . . A 2 ALA HA . 19390 1 5 . 1 1 2 2 ALA HB1 H 1 1.440 0.020 . 1 . . . A 2 ALA HB1 . 19390 1 6 . 1 1 2 2 ALA HB2 H 1 1.440 0.020 . 1 . . . A 2 ALA HB2 . 19390 1 7 . 1 1 2 2 ALA HB3 H 1 1.440 0.020 . 1 . . . A 2 ALA HB3 . 19390 1 8 . 1 1 2 2 ALA CA C 13 52.919 0.200 . 1 . . . A 2 ALA CA . 19390 1 9 . 1 1 2 2 ALA CB C 13 19.616 0.200 . 1 . . . A 2 ALA CB . 19390 1 10 . 1 1 3 3 MET HA H 1 4.488 0.020 . 1 . . . A 3 MET HA . 19390 1 11 . 1 1 3 3 MET HE1 H 1 2.116 0.020 . 1 . . . A 3 MET HE1 . 19390 1 12 . 1 1 3 3 MET HE2 H 1 2.116 0.020 . 1 . . . A 3 MET HE2 . 19390 1 13 . 1 1 3 3 MET HE3 H 1 2.116 0.020 . 1 . . . A 3 MET HE3 . 19390 1 14 . 1 1 3 3 MET CA C 13 55.738 0.200 . 1 . . . A 3 MET CA . 19390 1 15 . 1 1 3 3 MET CE C 13 17.170 0.200 . 1 . . . A 3 MET CE . 19390 1 16 . 1 1 4 4 GLU H H 1 8.288 0.020 . 1 . . . A 4 GLU H . 19390 1 17 . 1 1 4 4 GLU HA H 1 4.365 0.020 . 1 . . . A 4 GLU HA . 19390 1 18 . 1 1 4 4 GLU HB2 H 1 1.967 0.020 . 1 . . . A 4 GLU HB2 . 19390 1 19 . 1 1 4 4 GLU HB3 H 1 2.092 0.020 . 1 . . . A 4 GLU HB3 . 19390 1 20 . 1 1 4 4 GLU HG2 H 1 2.268 0.020 . 2 . . . A 4 GLU HG2 . 19390 1 21 . 1 1 4 4 GLU HG3 H 1 2.268 0.020 . 2 . . . A 4 GLU HG3 . 19390 1 22 . 1 1 4 4 GLU CA C 13 56.625 0.200 . 1 . . . A 4 GLU CA . 19390 1 23 . 1 1 4 4 GLU CB C 13 30.398 0.050 . 1 . . . A 4 GLU CB . 19390 1 24 . 1 1 4 4 GLU CG C 13 36.369 0.200 . 1 . . . A 4 GLU CG . 19390 1 25 . 1 1 4 4 GLU N N 15 121.531 0.200 . 1 . . . A 4 GLU N . 19390 1 26 . 1 1 5 5 MET H H 1 8.139 0.020 . 1 . . . A 5 MET H . 19390 1 27 . 1 1 5 5 MET HA H 1 4.877 0.020 . 1 . . . A 5 MET HA . 19390 1 28 . 1 1 5 5 MET HB2 H 1 2.129 0.020 . 1 . . . A 5 MET HB2 . 19390 1 29 . 1 1 5 5 MET HB3 H 1 1.990 0.020 . 1 . . . A 5 MET HB3 . 19390 1 30 . 1 1 5 5 MET HG2 H 1 2.601 0.020 . 1 . . . A 5 MET HG2 . 19390 1 31 . 1 1 5 5 MET HG3 H 1 2.547 0.020 . 1 . . . A 5 MET HG3 . 19390 1 32 . 1 1 5 5 MET HE1 H 1 2.044 0.020 . 1 . . . A 5 MET HE1 . 19390 1 33 . 1 1 5 5 MET HE2 H 1 2.044 0.020 . 1 . . . A 5 MET HE2 . 19390 1 34 . 1 1 5 5 MET HE3 H 1 2.044 0.020 . 1 . . . A 5 MET HE3 . 19390 1 35 . 1 1 5 5 MET CA C 13 53.509 0.200 . 1 . . . A 5 MET CA . 19390 1 36 . 1 1 5 5 MET CB C 13 33.467 0.012 . 1 . . . A 5 MET CB . 19390 1 37 . 1 1 5 5 MET CG C 13 32.342 0.056 . 1 . . . A 5 MET CG . 19390 1 38 . 1 1 5 5 MET CE C 13 17.523 0.200 . 1 . . . A 5 MET CE . 19390 1 39 . 1 1 5 5 MET N N 15 121.777 0.200 . 1 . . . A 5 MET N . 19390 1 40 . 1 1 6 6 PRO HA H 1 4.335 0.020 . 1 . . . A 6 PRO HA . 19390 1 41 . 1 1 6 6 PRO HB2 H 1 1.883 0.020 . 1 . . . A 6 PRO HB2 . 19390 1 42 . 1 1 6 6 PRO HB3 H 1 2.238 0.020 . 1 . . . A 6 PRO HB3 . 19390 1 43 . 1 1 6 6 PRO HG2 H 1 2.114 0.020 . 2 . . . A 6 PRO HG2 . 19390 1 44 . 1 1 6 6 PRO HG3 H 1 2.114 0.020 . 2 . . . A 6 PRO HG3 . 19390 1 45 . 1 1 6 6 PRO HD2 H 1 3.956 0.020 . 2 . . . A 6 PRO HD2 . 19390 1 46 . 1 1 6 6 PRO HD3 H 1 3.956 0.020 . 2 . . . A 6 PRO HD3 . 19390 1 47 . 1 1 6 6 PRO CA C 13 63.752 0.200 . 1 . . . A 6 PRO CA . 19390 1 48 . 1 1 6 6 PRO CB C 13 31.890 0.026 . 1 . . . A 6 PRO CB . 19390 1 49 . 1 1 6 6 PRO CG C 13 27.592 0.200 . 1 . . . A 6 PRO CG . 19390 1 50 . 1 1 6 6 PRO CD C 13 50.807 0.200 . 1 . . . A 6 PRO CD . 19390 1 51 . 1 1 7 7 THR H H 1 7.598 0.003 . 1 . . . A 7 THR H . 19390 1 52 . 1 1 7 7 THR HA H 1 4.882 0.020 . 1 . . . A 7 THR HA . 19390 1 53 . 1 1 7 7 THR HB H 1 3.626 0.020 . 1 . . . A 7 THR HB . 19390 1 54 . 1 1 7 7 THR HG21 H 1 0.611 0.020 . 1 . . . A 7 THR HG21 . 19390 1 55 . 1 1 7 7 THR HG22 H 1 0.611 0.020 . 1 . . . A 7 THR HG22 . 19390 1 56 . 1 1 7 7 THR HG23 H 1 0.611 0.020 . 1 . . . A 7 THR HG23 . 19390 1 57 . 1 1 7 7 THR CA C 13 61.507 0.200 . 1 . . . A 7 THR CA . 19390 1 58 . 1 1 7 7 THR CB C 13 71.440 0.200 . 1 . . . A 7 THR CB . 19390 1 59 . 1 1 7 7 THR CG2 C 13 21.432 0.200 . 1 . . . A 7 THR CG2 . 19390 1 60 . 1 1 7 7 THR N N 15 117.518 0.049 . 1 . . . A 7 THR N . 19390 1 61 . 1 1 8 8 PHE H H 1 8.939 0.020 . 1 . . . A 8 PHE H . 19390 1 62 . 1 1 8 8 PHE HA H 1 4.688 0.001 . 1 . . . A 8 PHE HA . 19390 1 63 . 1 1 8 8 PHE HB2 H 1 2.609 0.020 . 1 . . . A 8 PHE HB2 . 19390 1 64 . 1 1 8 8 PHE HB3 H 1 2.963 0.020 . 1 . . . A 8 PHE HB3 . 19390 1 65 . 1 1 8 8 PHE HD1 H 1 7.181 0.020 . 3 . . . A 8 PHE HD1 . 19390 1 66 . 1 1 8 8 PHE HD2 H 1 7.181 0.020 . 3 . . . A 8 PHE HD2 . 19390 1 67 . 1 1 8 8 PHE HE1 H 1 7.244 0.020 . 3 . . . A 8 PHE HE1 . 19390 1 68 . 1 1 8 8 PHE HE2 H 1 7.244 0.020 . 3 . . . A 8 PHE HE2 . 19390 1 69 . 1 1 8 8 PHE HZ H 1 7.239 0.020 . 1 . . . A 8 PHE HZ . 19390 1 70 . 1 1 8 8 PHE CA C 13 56.645 0.039 . 1 . . . A 8 PHE CA . 19390 1 71 . 1 1 8 8 PHE CB C 13 42.383 0.003 . 1 . . . A 8 PHE CB . 19390 1 72 . 1 1 8 8 PHE CD1 C 13 132.871 0.161 . 3 . . . A 8 PHE CD1 . 19390 1 73 . 1 1 8 8 PHE CD2 C 13 132.871 0.161 . 3 . . . A 8 PHE CD2 . 19390 1 74 . 1 1 8 8 PHE CE1 C 13 130.974 0.200 . 3 . . . A 8 PHE CE1 . 19390 1 75 . 1 1 8 8 PHE CE2 C 13 130.974 0.200 . 3 . . . A 8 PHE CE2 . 19390 1 76 . 1 1 8 8 PHE CZ C 13 129.301 0.200 . 1 . . . A 8 PHE CZ . 19390 1 77 . 1 1 8 8 PHE N N 15 123.123 0.200 . 1 . . . A 8 PHE N . 19390 1 78 . 1 1 9 9 TYR H H 1 8.503 0.002 . 1 . . . A 9 TYR H . 19390 1 79 . 1 1 9 9 TYR HA H 1 5.334 0.020 . 1 . . . A 9 TYR HA . 19390 1 80 . 1 1 9 9 TYR HB2 H 1 2.874 0.020 . 1 . . . A 9 TYR HB2 . 19390 1 81 . 1 1 9 9 TYR HB3 H 1 3.039 0.020 . 1 . . . A 9 TYR HB3 . 19390 1 82 . 1 1 9 9 TYR HD1 H 1 7.184 0.020 . 3 . . . A 9 TYR HD1 . 19390 1 83 . 1 1 9 9 TYR HD2 H 1 7.184 0.020 . 3 . . . A 9 TYR HD2 . 19390 1 84 . 1 1 9 9 TYR HE1 H 1 6.726 0.020 . 3 . . . A 9 TYR HE1 . 19390 1 85 . 1 1 9 9 TYR HE2 H 1 6.726 0.020 . 3 . . . A 9 TYR HE2 . 19390 1 86 . 1 1 9 9 TYR CA C 13 56.921 0.200 . 1 . . . A 9 TYR CA . 19390 1 87 . 1 1 9 9 TYR CB C 13 40.008 0.029 . 1 . . . A 9 TYR CB . 19390 1 88 . 1 1 9 9 TYR CD1 C 13 133.868 0.200 . 3 . . . A 9 TYR CD1 . 19390 1 89 . 1 1 9 9 TYR CD2 C 13 133.868 0.200 . 3 . . . A 9 TYR CD2 . 19390 1 90 . 1 1 9 9 TYR CE1 C 13 118.211 0.200 . 3 . . . A 9 TYR CE1 . 19390 1 91 . 1 1 9 9 TYR CE2 C 13 118.211 0.200 . 3 . . . A 9 TYR CE2 . 19390 1 92 . 1 1 9 9 TYR N N 15 122.356 0.079 . 1 . . . A 9 TYR N . 19390 1 93 . 1 1 10 10 LEU H H 1 8.716 0.003 . 1 . . . A 10 LEU H . 19390 1 94 . 1 1 10 10 LEU HA H 1 4.687 0.001 . 1 . . . A 10 LEU HA . 19390 1 95 . 1 1 10 10 LEU HB2 H 1 1.435 0.020 . 2 . . . A 10 LEU HB2 . 19390 1 96 . 1 1 10 10 LEU HB3 H 1 1.435 0.020 . 2 . . . A 10 LEU HB3 . 19390 1 97 . 1 1 10 10 LEU HG H 1 1.455 0.020 . 1 . . . A 10 LEU HG . 19390 1 98 . 1 1 10 10 LEU HD11 H 1 0.674 0.020 . 1 . . . A 10 LEU HD11 . 19390 1 99 . 1 1 10 10 LEU HD12 H 1 0.674 0.020 . 1 . . . A 10 LEU HD12 . 19390 1 100 . 1 1 10 10 LEU HD13 H 1 0.674 0.020 . 1 . . . A 10 LEU HD13 . 19390 1 101 . 1 1 10 10 LEU HD21 H 1 0.813 0.020 . 1 . . . A 10 LEU HD21 . 19390 1 102 . 1 1 10 10 LEU HD22 H 1 0.813 0.020 . 1 . . . A 10 LEU HD22 . 19390 1 103 . 1 1 10 10 LEU HD23 H 1 0.813 0.020 . 1 . . . A 10 LEU HD23 . 19390 1 104 . 1 1 10 10 LEU CA C 13 53.736 0.039 . 1 . . . A 10 LEU CA . 19390 1 105 . 1 1 10 10 LEU CB C 13 46.193 0.200 . 1 . . . A 10 LEU CB . 19390 1 106 . 1 1 10 10 LEU CG C 13 27.317 0.200 . 1 . . . A 10 LEU CG . 19390 1 107 . 1 1 10 10 LEU CD1 C 13 26.263 0.200 . 1 . . . A 10 LEU CD1 . 19390 1 108 . 1 1 10 10 LEU CD2 C 13 24.464 0.200 . 1 . . . A 10 LEU CD2 . 19390 1 109 . 1 1 10 10 LEU N N 15 124.441 0.052 . 1 . . . A 10 LEU N . 19390 1 110 . 1 1 11 11 ALA H H 1 8.104 0.020 . 1 . . . A 11 ALA H . 19390 1 111 . 1 1 11 11 ALA HA H 1 4.906 0.020 . 1 . . . A 11 ALA HA . 19390 1 112 . 1 1 11 11 ALA HB1 H 1 1.138 0.020 . 1 . . . A 11 ALA HB1 . 19390 1 113 . 1 1 11 11 ALA HB2 H 1 1.138 0.020 . 1 . . . A 11 ALA HB2 . 19390 1 114 . 1 1 11 11 ALA HB3 H 1 1.138 0.020 . 1 . . . A 11 ALA HB3 . 19390 1 115 . 1 1 11 11 ALA CA C 13 51.631 0.200 . 1 . . . A 11 ALA CA . 19390 1 116 . 1 1 11 11 ALA CB C 13 20.073 0.200 . 1 . . . A 11 ALA CB . 19390 1 117 . 1 1 11 11 ALA N N 15 123.556 0.200 . 1 . . . A 11 ALA N . 19390 1 118 . 1 1 12 12 LEU H H 1 8.004 0.020 . 1 . . . A 12 LEU H . 19390 1 119 . 1 1 12 12 LEU HA H 1 4.502 0.005 . 1 . . . A 12 LEU HA . 19390 1 120 . 1 1 12 12 LEU HB2 H 1 1.252 0.020 . 1 . . . A 12 LEU HB2 . 19390 1 121 . 1 1 12 12 LEU HB3 H 1 1.323 0.020 . 1 . . . A 12 LEU HB3 . 19390 1 122 . 1 1 12 12 LEU HG H 1 1.097 0.020 . 1 . . . A 12 LEU HG . 19390 1 123 . 1 1 12 12 LEU HD11 H 1 0.326 0.020 . 1 . . . A 12 LEU HD11 . 19390 1 124 . 1 1 12 12 LEU HD12 H 1 0.326 0.020 . 1 . . . A 12 LEU HD12 . 19390 1 125 . 1 1 12 12 LEU HD13 H 1 0.326 0.020 . 1 . . . A 12 LEU HD13 . 19390 1 126 . 1 1 12 12 LEU HD21 H 1 -0.022 0.020 . 1 . . . A 12 LEU HD21 . 19390 1 127 . 1 1 12 12 LEU HD22 H 1 -0.022 0.020 . 1 . . . A 12 LEU HD22 . 19390 1 128 . 1 1 12 12 LEU HD23 H 1 -0.022 0.020 . 1 . . . A 12 LEU HD23 . 19390 1 129 . 1 1 12 12 LEU CA C 13 53.050 0.094 . 1 . . . A 12 LEU CA . 19390 1 130 . 1 1 12 12 LEU CB C 13 43.624 0.025 . 1 . . . A 12 LEU CB . 19390 1 131 . 1 1 12 12 LEU CG C 13 26.600 0.200 . 1 . . . A 12 LEU CG . 19390 1 132 . 1 1 12 12 LEU CD1 C 13 25.682 0.028 . 1 . . . A 12 LEU CD1 . 19390 1 133 . 1 1 12 12 LEU CD2 C 13 21.553 0.200 . 1 . . . A 12 LEU CD2 . 19390 1 134 . 1 1 12 12 LEU N N 15 121.796 0.200 . 1 . . . A 12 LEU N . 19390 1 135 . 1 1 13 13 HIS H H 1 8.659 0.020 . 1 . . . A 13 HIS H . 19390 1 136 . 1 1 13 13 HIS HA H 1 4.758 0.020 . 1 . . . A 13 HIS HA . 19390 1 137 . 1 1 13 13 HIS HB2 H 1 3.131 0.020 . 1 . . . A 13 HIS HB2 . 19390 1 138 . 1 1 13 13 HIS HB3 H 1 3.090 0.020 . 1 . . . A 13 HIS HB3 . 19390 1 139 . 1 1 13 13 HIS HD2 H 1 7.214 0.020 . 1 . . . A 13 HIS HD2 . 19390 1 140 . 1 1 13 13 HIS HE1 H 1 8.110 0.004 . 1 . . . A 13 HIS HE1 . 19390 1 141 . 1 1 13 13 HIS CA C 13 56.865 0.200 . 1 . . . A 13 HIS CA . 19390 1 142 . 1 1 13 13 HIS CB C 13 29.731 0.200 . 1 . . . A 13 HIS CB . 19390 1 143 . 1 1 13 13 HIS CD2 C 13 122.329 0.200 . 1 . . . A 13 HIS CD2 . 19390 1 144 . 1 1 13 13 HIS CE1 C 13 138.217 0.200 . 1 . . . A 13 HIS CE1 . 19390 1 145 . 1 1 13 13 HIS N N 15 118.912 0.200 . 1 . . . A 13 HIS N . 19390 1 146 . 1 1 14 14 GLY H H 1 8.880 0.020 . 1 . . . A 14 GLY H . 19390 1 147 . 1 1 14 14 GLY HA2 H 1 4.336 0.020 . 1 . . . A 14 GLY HA2 . 19390 1 148 . 1 1 14 14 GLY HA3 H 1 3.903 0.020 . 1 . . . A 14 GLY HA3 . 19390 1 149 . 1 1 14 14 GLY CA C 13 46.332 0.200 . 1 . . . A 14 GLY CA . 19390 1 150 . 1 1 14 14 GLY N N 15 111.509 0.200 . 1 . . . A 14 GLY N . 19390 1 151 . 1 1 15 15 GLY H H 1 9.276 0.020 . 1 . . . A 15 GLY H . 19390 1 152 . 1 1 15 15 GLY HA2 H 1 4.271 0.001 . 1 . . . A 15 GLY HA2 . 19390 1 153 . 1 1 15 15 GLY HA3 H 1 3.655 0.002 . 1 . . . A 15 GLY HA3 . 19390 1 154 . 1 1 15 15 GLY CA C 13 46.391 0.021 . 1 . . . A 15 GLY CA . 19390 1 155 . 1 1 15 15 GLY N N 15 111.541 0.200 . 1 . . . A 15 GLY N . 19390 1 156 . 1 1 16 16 GLN H H 1 7.376 0.020 . 1 . . . A 16 GLN H . 19390 1 157 . 1 1 16 16 GLN HA H 1 4.499 0.020 . 1 . . . A 16 GLN HA . 19390 1 158 . 1 1 16 16 GLN HB2 H 1 2.018 0.020 . 1 . . . A 16 GLN HB2 . 19390 1 159 . 1 1 16 16 GLN HB3 H 1 1.963 0.020 . 1 . . . A 16 GLN HB3 . 19390 1 160 . 1 1 16 16 GLN HG2 H 1 2.180 0.020 . 1 . . . A 16 GLN HG2 . 19390 1 161 . 1 1 16 16 GLN HG3 H 1 2.093 0.020 . 1 . . . A 16 GLN HG3 . 19390 1 162 . 1 1 16 16 GLN HE21 H 1 7.332 0.020 . 1 . . . A 16 GLN HE21 . 19390 1 163 . 1 1 16 16 GLN HE22 H 1 6.684 0.020 . 1 . . . A 16 GLN HE22 . 19390 1 164 . 1 1 16 16 GLN CA C 13 54.139 0.200 . 1 . . . A 16 GLN CA . 19390 1 165 . 1 1 16 16 GLN CB C 13 30.522 0.042 . 1 . . . A 16 GLN CB . 19390 1 166 . 1 1 16 16 GLN CG C 13 33.894 0.023 . 1 . . . A 16 GLN CG . 19390 1 167 . 1 1 16 16 GLN N N 15 118.322 0.200 . 1 . . . A 16 GLN N . 19390 1 168 . 1 1 16 16 GLN NE2 N 15 112.052 0.003 . 1 . . . A 16 GLN NE2 . 19390 1 169 . 1 1 17 17 THR H H 1 8.379 0.020 . 1 . . . A 17 THR H . 19390 1 170 . 1 1 17 17 THR HA H 1 4.662 0.020 . 1 . . . A 17 THR HA . 19390 1 171 . 1 1 17 17 THR HB H 1 3.876 0.020 . 1 . . . A 17 THR HB . 19390 1 172 . 1 1 17 17 THR HG21 H 1 0.959 0.020 . 1 . . . A 17 THR HG21 . 19390 1 173 . 1 1 17 17 THR HG22 H 1 0.959 0.020 . 1 . . . A 17 THR HG22 . 19390 1 174 . 1 1 17 17 THR HG23 H 1 0.959 0.020 . 1 . . . A 17 THR HG23 . 19390 1 175 . 1 1 17 17 THR CA C 13 63.671 0.200 . 1 . . . A 17 THR CA . 19390 1 176 . 1 1 17 17 THR CB C 13 68.939 0.200 . 1 . . . A 17 THR CB . 19390 1 177 . 1 1 17 17 THR CG2 C 13 21.874 0.200 . 1 . . . A 17 THR CG2 . 19390 1 178 . 1 1 17 17 THR N N 15 117.250 0.200 . 1 . . . A 17 THR N . 19390 1 179 . 1 1 18 18 TYR H H 1 9.556 0.020 . 1 . . . A 18 TYR H . 19390 1 180 . 1 1 18 18 TYR HA H 1 4.737 0.020 . 1 . . . A 18 TYR HA . 19390 1 181 . 1 1 18 18 TYR HB2 H 1 2.768 0.020 . 2 . . . A 18 TYR HB2 . 19390 1 182 . 1 1 18 18 TYR HB3 H 1 2.768 0.020 . 2 . . . A 18 TYR HB3 . 19390 1 183 . 1 1 18 18 TYR HD1 H 1 6.966 0.020 . 3 . . . A 18 TYR HD1 . 19390 1 184 . 1 1 18 18 TYR HD2 H 1 6.966 0.020 . 3 . . . A 18 TYR HD2 . 19390 1 185 . 1 1 18 18 TYR HE1 H 1 7.045 0.020 . 3 . . . A 18 TYR HE1 . 19390 1 186 . 1 1 18 18 TYR HE2 H 1 7.045 0.020 . 3 . . . A 18 TYR HE2 . 19390 1 187 . 1 1 18 18 TYR CA C 13 57.312 0.200 . 1 . . . A 18 TYR CA . 19390 1 188 . 1 1 18 18 TYR CB C 13 41.411 0.200 . 1 . . . A 18 TYR CB . 19390 1 189 . 1 1 18 18 TYR CD1 C 13 133.692 0.200 . 3 . . . A 18 TYR CD1 . 19390 1 190 . 1 1 18 18 TYR CD2 C 13 133.692 0.200 . 3 . . . A 18 TYR CD2 . 19390 1 191 . 1 1 18 18 TYR CE1 C 13 119.066 0.200 . 3 . . . A 18 TYR CE1 . 19390 1 192 . 1 1 18 18 TYR CE2 C 13 119.066 0.200 . 3 . . . A 18 TYR CE2 . 19390 1 193 . 1 1 18 18 TYR N N 15 127.800 0.200 . 1 . . . A 18 TYR N . 19390 1 194 . 1 1 19 19 HIS H H 1 9.676 0.020 . 1 . . . A 19 HIS H . 19390 1 195 . 1 1 19 19 HIS HA H 1 5.579 0.020 . 1 . . . A 19 HIS HA . 19390 1 196 . 1 1 19 19 HIS HB2 H 1 3.200 0.020 . 1 . . . A 19 HIS HB2 . 19390 1 197 . 1 1 19 19 HIS HB3 H 1 2.868 0.020 . 1 . . . A 19 HIS HB3 . 19390 1 198 . 1 1 19 19 HIS HD2 H 1 6.542 0.020 . 1 . . . A 19 HIS HD2 . 19390 1 199 . 1 1 19 19 HIS HE1 H 1 7.717 0.020 . 1 . . . A 19 HIS HE1 . 19390 1 200 . 1 1 19 19 HIS CA C 13 54.290 0.200 . 1 . . . A 19 HIS CA . 19390 1 201 . 1 1 19 19 HIS CB C 13 31.704 0.007 . 1 . . . A 19 HIS CB . 19390 1 202 . 1 1 19 19 HIS CD2 C 13 118.675 0.200 . 1 . . . A 19 HIS CD2 . 19390 1 203 . 1 1 19 19 HIS CE1 C 13 139.076 0.200 . 1 . . . A 19 HIS CE1 . 19390 1 204 . 1 1 19 19 HIS N N 15 121.884 0.200 . 1 . . . A 19 HIS N . 19390 1 205 . 1 1 20 20 LEU H H 1 9.590 0.020 . 1 . . . A 20 LEU H . 19390 1 206 . 1 1 20 20 LEU HA H 1 5.434 0.020 . 1 . . . A 20 LEU HA . 19390 1 207 . 1 1 20 20 LEU HB2 H 1 1.308 0.020 . 1 . . . A 20 LEU HB2 . 19390 1 208 . 1 1 20 20 LEU HB3 H 1 1.673 0.020 . 1 . . . A 20 LEU HB3 . 19390 1 209 . 1 1 20 20 LEU HG H 1 1.435 0.020 . 1 . . . A 20 LEU HG . 19390 1 210 . 1 1 20 20 LEU HD11 H 1 0.626 0.020 . 1 . . . A 20 LEU HD11 . 19390 1 211 . 1 1 20 20 LEU HD12 H 1 0.626 0.020 . 1 . . . A 20 LEU HD12 . 19390 1 212 . 1 1 20 20 LEU HD13 H 1 0.626 0.020 . 1 . . . A 20 LEU HD13 . 19390 1 213 . 1 1 20 20 LEU HD21 H 1 0.568 0.020 . 1 . . . A 20 LEU HD21 . 19390 1 214 . 1 1 20 20 LEU HD22 H 1 0.568 0.020 . 1 . . . A 20 LEU HD22 . 19390 1 215 . 1 1 20 20 LEU HD23 H 1 0.568 0.020 . 1 . . . A 20 LEU HD23 . 19390 1 216 . 1 1 20 20 LEU CA C 13 54.056 0.200 . 1 . . . A 20 LEU CA . 19390 1 217 . 1 1 20 20 LEU CB C 13 45.997 0.036 . 1 . . . A 20 LEU CB . 19390 1 218 . 1 1 20 20 LEU CG C 13 27.594 0.200 . 1 . . . A 20 LEU CG . 19390 1 219 . 1 1 20 20 LEU CD1 C 13 24.909 0.200 . 1 . . . A 20 LEU CD1 . 19390 1 220 . 1 1 20 20 LEU CD2 C 13 26.178 0.200 . 1 . . . A 20 LEU CD2 . 19390 1 221 . 1 1 20 20 LEU N N 15 127.685 0.200 . 1 . . . A 20 LEU N . 19390 1 222 . 1 1 21 21 ILE H H 1 8.791 0.020 . 1 . . . A 21 ILE H . 19390 1 223 . 1 1 21 21 ILE HA H 1 4.642 0.020 . 1 . . . A 21 ILE HA . 19390 1 224 . 1 1 21 21 ILE HB H 1 1.654 0.020 . 1 . . . A 21 ILE HB . 19390 1 225 . 1 1 21 21 ILE HG12 H 1 1.016 0.020 . 1 . . . A 21 ILE HG12 . 19390 1 226 . 1 1 21 21 ILE HG13 H 1 1.580 0.020 . 1 . . . A 21 ILE HG13 . 19390 1 227 . 1 1 21 21 ILE HG21 H 1 0.805 0.020 . 1 . . . A 21 ILE HG21 . 19390 1 228 . 1 1 21 21 ILE HG22 H 1 0.805 0.020 . 1 . . . A 21 ILE HG22 . 19390 1 229 . 1 1 21 21 ILE HG23 H 1 0.805 0.020 . 1 . . . A 21 ILE HG23 . 19390 1 230 . 1 1 21 21 ILE HD11 H 1 0.824 0.020 . 1 . . . A 21 ILE HD11 . 19390 1 231 . 1 1 21 21 ILE HD12 H 1 0.824 0.020 . 1 . . . A 21 ILE HD12 . 19390 1 232 . 1 1 21 21 ILE HD13 H 1 0.824 0.020 . 1 . . . A 21 ILE HD13 . 19390 1 233 . 1 1 21 21 ILE CA C 13 61.529 0.200 . 1 . . . A 21 ILE CA . 19390 1 234 . 1 1 21 21 ILE CB C 13 42.522 0.200 . 1 . . . A 21 ILE CB . 19390 1 235 . 1 1 21 21 ILE CG1 C 13 28.340 0.001 . 1 . . . A 21 ILE CG1 . 19390 1 236 . 1 1 21 21 ILE CG2 C 13 17.970 0.200 . 1 . . . A 21 ILE CG2 . 19390 1 237 . 1 1 21 21 ILE CD1 C 13 14.689 0.200 . 1 . . . A 21 ILE CD1 . 19390 1 238 . 1 1 21 21 ILE N N 15 125.555 0.200 . 1 . . . A 21 ILE N . 19390 1 239 . 1 1 22 22 VAL H H 1 9.741 0.020 . 1 . . . A 22 VAL H . 19390 1 240 . 1 1 22 22 VAL HA H 1 5.014 0.020 . 1 . . . A 22 VAL HA . 19390 1 241 . 1 1 22 22 VAL HB H 1 1.958 0.020 . 1 . . . A 22 VAL HB . 19390 1 242 . 1 1 22 22 VAL HG11 H 1 0.908 0.020 . 2 . . . A 22 VAL HG11 . 19390 1 243 . 1 1 22 22 VAL HG12 H 1 0.908 0.020 . 2 . . . A 22 VAL HG12 . 19390 1 244 . 1 1 22 22 VAL HG13 H 1 0.908 0.020 . 2 . . . A 22 VAL HG13 . 19390 1 245 . 1 1 22 22 VAL HG21 H 1 0.908 0.020 . 2 . . . A 22 VAL HG21 . 19390 1 246 . 1 1 22 22 VAL HG22 H 1 0.908 0.020 . 2 . . . A 22 VAL HG22 . 19390 1 247 . 1 1 22 22 VAL HG23 H 1 0.908 0.020 . 2 . . . A 22 VAL HG23 . 19390 1 248 . 1 1 22 22 VAL CA C 13 59.804 0.200 . 1 . . . A 22 VAL CA . 19390 1 249 . 1 1 22 22 VAL CB C 13 33.977 0.200 . 1 . . . A 22 VAL CB . 19390 1 250 . 1 1 22 22 VAL CG1 C 13 21.551 0.200 . 2 . . . A 22 VAL CG1 . 19390 1 251 . 1 1 22 22 VAL CG2 C 13 21.551 0.200 . 2 . . . A 22 VAL CG2 . 19390 1 252 . 1 1 22 22 VAL N N 15 128.302 0.200 . 1 . . . A 22 VAL N . 19390 1 253 . 1 1 23 23 ASP H H 1 8.595 0.020 . 1 . . . A 23 ASP H . 19390 1 254 . 1 1 23 23 ASP HA H 1 4.958 0.020 . 1 . . . A 23 ASP HA . 19390 1 255 . 1 1 23 23 ASP HB2 H 1 2.418 0.020 . 1 . . . A 23 ASP HB2 . 19390 1 256 . 1 1 23 23 ASP HB3 H 1 2.644 0.020 . 1 . . . A 23 ASP HB3 . 19390 1 257 . 1 1 23 23 ASP CA C 13 52.823 0.200 . 1 . . . A 23 ASP CA . 19390 1 258 . 1 1 23 23 ASP CB C 13 44.752 0.031 . 1 . . . A 23 ASP CB . 19390 1 259 . 1 1 23 23 ASP N N 15 126.317 0.200 . 1 . . . A 23 ASP N . 19390 1 260 . 1 1 24 24 THR H H 1 8.769 0.020 . 1 . . . A 24 THR H . 19390 1 261 . 1 1 24 24 THR HA H 1 5.053 0.020 . 1 . . . A 24 THR HA . 19390 1 262 . 1 1 24 24 THR HB H 1 3.950 0.020 . 1 . . . A 24 THR HB . 19390 1 263 . 1 1 24 24 THR HG21 H 1 1.094 0.020 . 1 . . . A 24 THR HG21 . 19390 1 264 . 1 1 24 24 THR HG22 H 1 1.094 0.020 . 1 . . . A 24 THR HG22 . 19390 1 265 . 1 1 24 24 THR HG23 H 1 1.094 0.020 . 1 . . . A 24 THR HG23 . 19390 1 266 . 1 1 24 24 THR CA C 13 60.370 0.200 . 1 . . . A 24 THR CA . 19390 1 267 . 1 1 24 24 THR CB C 13 71.606 0.200 . 1 . . . A 24 THR CB . 19390 1 268 . 1 1 24 24 THR CG2 C 13 21.524 0.200 . 1 . . . A 24 THR CG2 . 19390 1 269 . 1 1 24 24 THR N N 15 111.217 0.025 . 1 . . . A 24 THR N . 19390 1 270 . 1 1 25 25 ASP H H 1 8.351 0.020 . 1 . . . A 25 ASP H . 19390 1 271 . 1 1 25 25 ASP HA H 1 4.815 0.020 . 1 . . . A 25 ASP HA . 19390 1 272 . 1 1 25 25 ASP HB2 H 1 2.798 0.020 . 1 . . . A 25 ASP HB2 . 19390 1 273 . 1 1 25 25 ASP HB3 H 1 3.415 0.020 . 1 . . . A 25 ASP HB3 . 19390 1 274 . 1 1 25 25 ASP CA C 13 52.701 0.200 . 1 . . . A 25 ASP CA . 19390 1 275 . 1 1 25 25 ASP CB C 13 41.548 0.004 . 1 . . . A 25 ASP CB . 19390 1 276 . 1 1 25 25 ASP N N 15 122.678 0.002 . 1 . . . A 25 ASP N . 19390 1 277 . 1 1 26 26 SER HA H 1 4.273 0.020 . 1 . . . A 26 SER HA . 19390 1 278 . 1 1 26 26 SER HB2 H 1 4.026 0.020 . 2 . . . A 26 SER HB2 . 19390 1 279 . 1 1 26 26 SER HB3 H 1 4.026 0.020 . 2 . . . A 26 SER HB3 . 19390 1 280 . 1 1 26 26 SER CA C 13 61.172 0.200 . 1 . . . A 26 SER CA . 19390 1 281 . 1 1 26 26 SER CB C 13 63.171 0.200 . 1 . . . A 26 SER CB . 19390 1 282 . 1 1 27 27 LEU H H 1 8.031 0.020 . 1 . . . A 27 LEU H . 19390 1 283 . 1 1 27 27 LEU HA H 1 4.530 0.020 . 1 . . . A 27 LEU HA . 19390 1 284 . 1 1 27 27 LEU HB2 H 1 1.837 0.020 . 1 . . . A 27 LEU HB2 . 19390 1 285 . 1 1 27 27 LEU HB3 H 1 1.773 0.020 . 1 . . . A 27 LEU HB3 . 19390 1 286 . 1 1 27 27 LEU HG H 1 1.645 0.020 . 1 . . . A 27 LEU HG . 19390 1 287 . 1 1 27 27 LEU HD11 H 1 0.958 0.020 . 1 . . . A 27 LEU HD11 . 19390 1 288 . 1 1 27 27 LEU HD12 H 1 0.958 0.020 . 1 . . . A 27 LEU HD12 . 19390 1 289 . 1 1 27 27 LEU HD13 H 1 0.958 0.020 . 1 . . . A 27 LEU HD13 . 19390 1 290 . 1 1 27 27 LEU HD21 H 1 0.912 0.020 . 1 . . . A 27 LEU HD21 . 19390 1 291 . 1 1 27 27 LEU HD22 H 1 0.912 0.020 . 1 . . . A 27 LEU HD22 . 19390 1 292 . 1 1 27 27 LEU HD23 H 1 0.912 0.020 . 1 . . . A 27 LEU HD23 . 19390 1 293 . 1 1 27 27 LEU CA C 13 54.639 0.200 . 1 . . . A 27 LEU CA . 19390 1 294 . 1 1 27 27 LEU CB C 13 42.333 0.010 . 1 . . . A 27 LEU CB . 19390 1 295 . 1 1 27 27 LEU CG C 13 27.349 0.200 . 1 . . . A 27 LEU CG . 19390 1 296 . 1 1 27 27 LEU CD1 C 13 25.292 0.200 . 1 . . . A 27 LEU CD1 . 19390 1 297 . 1 1 27 27 LEU CD2 C 13 23.177 0.200 . 1 . . . A 27 LEU CD2 . 19390 1 298 . 1 1 27 27 LEU N N 15 121.798 0.200 . 1 . . . A 27 LEU N . 19390 1 299 . 1 1 28 28 GLY H H 1 8.053 0.020 . 1 . . . A 28 GLY H . 19390 1 300 . 1 1 28 28 GLY HA2 H 1 4.347 0.020 . 1 . . . A 28 GLY HA2 . 19390 1 301 . 1 1 28 28 GLY HA3 H 1 3.625 0.020 . 1 . . . A 28 GLY HA3 . 19390 1 302 . 1 1 28 28 GLY CA C 13 45.241 0.002 . 1 . . . A 28 GLY CA . 19390 1 303 . 1 1 28 28 GLY N N 15 107.680 0.200 . 1 . . . A 28 GLY N . 19390 1 304 . 1 1 29 29 ASN H H 1 8.761 0.020 . 1 . . . A 29 ASN H . 19390 1 305 . 1 1 29 29 ASN HA H 1 5.084 0.020 . 1 . . . A 29 ASN HA . 19390 1 306 . 1 1 29 29 ASN HB2 H 1 2.716 0.020 . 1 . . . A 29 ASN HB2 . 19390 1 307 . 1 1 29 29 ASN HB3 H 1 3.038 0.020 . 1 . . . A 29 ASN HB3 . 19390 1 308 . 1 1 29 29 ASN HD21 H 1 6.952 0.020 . 1 . . . A 29 ASN HD21 . 19390 1 309 . 1 1 29 29 ASN HD22 H 1 8.468 0.020 . 1 . . . A 29 ASN HD22 . 19390 1 310 . 1 1 29 29 ASN CA C 13 51.422 0.200 . 1 . . . A 29 ASN CA . 19390 1 311 . 1 1 29 29 ASN CB C 13 38.385 0.013 . 1 . . . A 29 ASN CB . 19390 1 312 . 1 1 29 29 ASN N N 15 121.531 0.200 . 1 . . . A 29 ASN N . 19390 1 313 . 1 1 29 29 ASN ND2 N 15 116.999 0.001 . 1 . . . A 29 ASN ND2 . 19390 1 314 . 1 1 30 30 PRO HA H 1 5.220 0.020 . 1 . . . A 30 PRO HA . 19390 1 315 . 1 1 30 30 PRO HB2 H 1 1.810 0.020 . 1 . . . A 30 PRO HB2 . 19390 1 316 . 1 1 30 30 PRO HB3 H 1 2.219 0.020 . 1 . . . A 30 PRO HB3 . 19390 1 317 . 1 1 30 30 PRO HG2 H 1 2.231 0.020 . 1 . . . A 30 PRO HG2 . 19390 1 318 . 1 1 30 30 PRO HG3 H 1 2.161 0.020 . 1 . . . A 30 PRO HG3 . 19390 1 319 . 1 1 30 30 PRO HD2 H 1 3.892 0.020 . 1 . . . A 30 PRO HD2 . 19390 1 320 . 1 1 30 30 PRO HD3 H 1 4.246 0.020 . 1 . . . A 30 PRO HD3 . 19390 1 321 . 1 1 30 30 PRO CA C 13 62.660 0.200 . 1 . . . A 30 PRO CA . 19390 1 322 . 1 1 30 30 PRO CB C 13 32.898 0.004 . 1 . . . A 30 PRO CB . 19390 1 323 . 1 1 30 30 PRO CG C 13 27.551 0.068 . 1 . . . A 30 PRO CG . 19390 1 324 . 1 1 30 30 PRO CD C 13 50.715 0.012 . 1 . . . A 30 PRO CD . 19390 1 325 . 1 1 31 31 SER H H 1 8.859 0.020 . 1 . . . A 31 SER H . 19390 1 326 . 1 1 31 31 SER HA H 1 4.675 0.020 . 1 . . . A 31 SER HA . 19390 1 327 . 1 1 31 31 SER HB2 H 1 3.754 0.020 . 1 . . . A 31 SER HB2 . 19390 1 328 . 1 1 31 31 SER HB3 H 1 3.655 0.020 . 1 . . . A 31 SER HB3 . 19390 1 329 . 1 1 31 31 SER CA C 13 57.027 0.200 . 1 . . . A 31 SER CA . 19390 1 330 . 1 1 31 31 SER CB C 13 65.495 0.047 . 1 . . . A 31 SER CB . 19390 1 331 . 1 1 31 31 SER N N 15 116.249 0.200 . 1 . . . A 31 SER N . 19390 1 332 . 1 1 32 32 LEU H H 1 7.566 0.020 . 1 . . . A 32 LEU H . 19390 1 333 . 1 1 32 32 LEU HA H 1 4.910 0.020 . 1 . . . A 32 LEU HA . 19390 1 334 . 1 1 32 32 LEU HB2 H 1 0.718 0.020 . 1 . . . A 32 LEU HB2 . 19390 1 335 . 1 1 32 32 LEU HB3 H 1 0.590 0.020 . 1 . . . A 32 LEU HB3 . 19390 1 336 . 1 1 32 32 LEU HG H 1 0.996 0.020 . 1 . . . A 32 LEU HG . 19390 1 337 . 1 1 32 32 LEU HD11 H 1 0.418 0.020 . 1 . . . A 32 LEU HD11 . 19390 1 338 . 1 1 32 32 LEU HD12 H 1 0.418 0.020 . 1 . . . A 32 LEU HD12 . 19390 1 339 . 1 1 32 32 LEU HD13 H 1 0.418 0.020 . 1 . . . A 32 LEU HD13 . 19390 1 340 . 1 1 32 32 LEU HD21 H 1 0.349 0.020 . 1 . . . A 32 LEU HD21 . 19390 1 341 . 1 1 32 32 LEU HD22 H 1 0.349 0.020 . 1 . . . A 32 LEU HD22 . 19390 1 342 . 1 1 32 32 LEU HD23 H 1 0.349 0.020 . 1 . . . A 32 LEU HD23 . 19390 1 343 . 1 1 32 32 LEU CA C 13 54.226 0.200 . 1 . . . A 32 LEU CA . 19390 1 344 . 1 1 32 32 LEU CB C 13 44.693 0.200 . 1 . . . A 32 LEU CB . 19390 1 345 . 1 1 32 32 LEU CG C 13 27.125 0.200 . 1 . . . A 32 LEU CG . 19390 1 346 . 1 1 32 32 LEU CD1 C 13 25.373 0.200 . 1 . . . A 32 LEU CD1 . 19390 1 347 . 1 1 32 32 LEU CD2 C 13 25.932 0.200 . 1 . . . A 32 LEU CD2 . 19390 1 348 . 1 1 32 32 LEU N N 15 123.992 0.200 . 1 . . . A 32 LEU N . 19390 1 349 . 1 1 33 33 SER H H 1 8.723 0.020 . 1 . . . A 33 SER H . 19390 1 350 . 1 1 33 33 SER HA H 1 4.750 0.020 . 1 . . . A 33 SER HA . 19390 1 351 . 1 1 33 33 SER HB2 H 1 3.776 0.020 . 1 . . . A 33 SER HB2 . 19390 1 352 . 1 1 33 33 SER HB3 H 1 3.748 0.020 . 1 . . . A 33 SER HB3 . 19390 1 353 . 1 1 33 33 SER CA C 13 57.236 0.200 . 1 . . . A 33 SER CA . 19390 1 354 . 1 1 33 33 SER CB C 13 65.138 0.043 . 1 . . . A 33 SER CB . 19390 1 355 . 1 1 33 33 SER N N 15 120.489 0.200 . 1 . . . A 33 SER N . 19390 1 356 . 1 1 34 34 VAL H H 1 8.296 0.020 . 1 . . . A 34 VAL H . 19390 1 357 . 1 1 34 34 VAL HA H 1 5.290 0.020 . 1 . . . A 34 VAL HA . 19390 1 358 . 1 1 34 34 VAL HB H 1 1.869 0.020 . 1 . . . A 34 VAL HB . 19390 1 359 . 1 1 34 34 VAL HG11 H 1 0.710 0.020 . 2 . . . A 34 VAL HG11 . 19390 1 360 . 1 1 34 34 VAL HG12 H 1 0.710 0.020 . 2 . . . A 34 VAL HG12 . 19390 1 361 . 1 1 34 34 VAL HG13 H 1 0.710 0.020 . 2 . . . A 34 VAL HG13 . 19390 1 362 . 1 1 34 34 VAL HG21 H 1 0.710 0.020 . 2 . . . A 34 VAL HG21 . 19390 1 363 . 1 1 34 34 VAL HG22 H 1 0.710 0.020 . 2 . . . A 34 VAL HG22 . 19390 1 364 . 1 1 34 34 VAL HG23 H 1 0.710 0.020 . 2 . . . A 34 VAL HG23 . 19390 1 365 . 1 1 34 34 VAL CA C 13 61.163 0.200 . 1 . . . A 34 VAL CA . 19390 1 366 . 1 1 34 34 VAL CB C 13 33.901 0.200 . 1 . . . A 34 VAL CB . 19390 1 367 . 1 1 34 34 VAL CG1 C 13 21.977 0.200 . 2 . . . A 34 VAL CG1 . 19390 1 368 . 1 1 34 34 VAL CG2 C 13 21.977 0.200 . 2 . . . A 34 VAL CG2 . 19390 1 369 . 1 1 34 34 VAL N N 15 124.737 0.200 . 1 . . . A 34 VAL N . 19390 1 370 . 1 1 35 35 ILE H H 1 8.920 0.020 . 1 . . . A 35 ILE H . 19390 1 371 . 1 1 35 35 ILE HA H 1 5.040 0.020 . 1 . . . A 35 ILE HA . 19390 1 372 . 1 1 35 35 ILE HB H 1 1.952 0.020 . 1 . . . A 35 ILE HB . 19390 1 373 . 1 1 35 35 ILE HG12 H 1 1.250 0.020 . 1 . . . A 35 ILE HG12 . 19390 1 374 . 1 1 35 35 ILE HG13 H 1 1.550 0.020 . 1 . . . A 35 ILE HG13 . 19390 1 375 . 1 1 35 35 ILE HG21 H 1 1.068 0.020 . 1 . . . A 35 ILE HG21 . 19390 1 376 . 1 1 35 35 ILE HG22 H 1 1.068 0.020 . 1 . . . A 35 ILE HG22 . 19390 1 377 . 1 1 35 35 ILE HG23 H 1 1.068 0.020 . 1 . . . A 35 ILE HG23 . 19390 1 378 . 1 1 35 35 ILE HD11 H 1 0.925 0.020 . 1 . . . A 35 ILE HD11 . 19390 1 379 . 1 1 35 35 ILE HD12 H 1 0.925 0.020 . 1 . . . A 35 ILE HD12 . 19390 1 380 . 1 1 35 35 ILE HD13 H 1 0.925 0.020 . 1 . . . A 35 ILE HD13 . 19390 1 381 . 1 1 35 35 ILE CA C 13 57.790 0.200 . 1 . . . A 35 ILE CA . 19390 1 382 . 1 1 35 35 ILE CB C 13 42.244 0.200 . 1 . . . A 35 ILE CB . 19390 1 383 . 1 1 35 35 ILE CG1 C 13 26.884 0.061 . 1 . . . A 35 ILE CG1 . 19390 1 384 . 1 1 35 35 ILE CG2 C 13 17.410 0.200 . 1 . . . A 35 ILE CG2 . 19390 1 385 . 1 1 35 35 ILE CD1 C 13 13.279 0.200 . 1 . . . A 35 ILE CD1 . 19390 1 386 . 1 1 35 35 ILE N N 15 125.451 0.200 . 1 . . . A 35 ILE N . 19390 1 387 . 1 1 36 36 PRO HA H 1 4.117 0.001 . 1 . . . A 36 PRO HA . 19390 1 388 . 1 1 36 36 PRO HB2 H 1 1.633 0.020 . 1 . . . A 36 PRO HB2 . 19390 1 389 . 1 1 36 36 PRO HB3 H 1 2.093 0.020 . 1 . . . A 36 PRO HB3 . 19390 1 390 . 1 1 36 36 PRO HG2 H 1 2.156 0.004 . 2 . . . A 36 PRO HG2 . 19390 1 391 . 1 1 36 36 PRO HG3 H 1 2.156 0.004 . 2 . . . A 36 PRO HG3 . 19390 1 392 . 1 1 36 36 PRO HD2 H 1 4.073 0.020 . 1 . . . A 36 PRO HD2 . 19390 1 393 . 1 1 36 36 PRO HD3 H 1 3.904 0.020 . 1 . . . A 36 PRO HD3 . 19390 1 394 . 1 1 36 36 PRO CA C 13 63.249 0.009 . 1 . . . A 36 PRO CA . 19390 1 395 . 1 1 36 36 PRO CB C 13 32.044 0.009 . 1 . . . A 36 PRO CB . 19390 1 396 . 1 1 36 36 PRO CG C 13 27.761 0.083 . 1 . . . A 36 PRO CG . 19390 1 397 . 1 1 36 36 PRO CD C 13 51.130 0.021 . 1 . . . A 36 PRO CD . 19390 1 398 . 1 1 37 37 SER H H 1 7.847 0.020 . 1 . . . A 37 SER H . 19390 1 399 . 1 1 37 37 SER HA H 1 3.672 0.020 . 1 . . . A 37 SER HA . 19390 1 400 . 1 1 37 37 SER HB2 H 1 3.512 0.020 . 1 . . . A 37 SER HB2 . 19390 1 401 . 1 1 37 37 SER HB3 H 1 3.216 0.020 . 1 . . . A 37 SER HB3 . 19390 1 402 . 1 1 37 37 SER CA C 13 60.172 0.200 . 1 . . . A 37 SER CA . 19390 1 403 . 1 1 37 37 SER CB C 13 63.252 0.004 . 1 . . . A 37 SER CB . 19390 1 404 . 1 1 37 37 SER N N 15 116.872 0.200 . 1 . . . A 37 SER N . 19390 1 405 . 1 1 38 38 ASN H H 1 7.951 0.020 . 1 . . . A 38 ASN H . 19390 1 406 . 1 1 38 38 ASN HA H 1 5.087 0.001 . 1 . . . A 38 ASN HA . 19390 1 407 . 1 1 38 38 ASN HB2 H 1 2.656 0.020 . 1 . . . A 38 ASN HB2 . 19390 1 408 . 1 1 38 38 ASN HB3 H 1 2.945 0.020 . 1 . . . A 38 ASN HB3 . 19390 1 409 . 1 1 38 38 ASN CA C 13 50.363 0.012 . 1 . . . A 38 ASN CA . 19390 1 410 . 1 1 38 38 ASN CB C 13 39.385 0.007 . 1 . . . A 38 ASN CB . 19390 1 411 . 1 1 38 38 ASN N N 15 117.181 0.200 . 1 . . . A 38 ASN N . 19390 1 412 . 1 1 39 39 PRO HA H 1 4.227 0.020 . 1 . . . A 39 PRO HA . 19390 1 413 . 1 1 39 39 PRO HB2 H 1 2.240 0.020 . 1 . . . A 39 PRO HB2 . 19390 1 414 . 1 1 39 39 PRO HB3 H 1 1.770 0.020 . 1 . . . A 39 PRO HB3 . 19390 1 415 . 1 1 39 39 PRO HG2 H 1 1.945 0.020 . 1 . . . A 39 PRO HG2 . 19390 1 416 . 1 1 39 39 PRO HG3 H 1 1.774 0.020 . 1 . . . A 39 PRO HG3 . 19390 1 417 . 1 1 39 39 PRO HD2 H 1 3.760 0.020 . 1 . . . A 39 PRO HD2 . 19390 1 418 . 1 1 39 39 PRO HD3 H 1 3.616 0.020 . 1 . . . A 39 PRO HD3 . 19390 1 419 . 1 1 39 39 PRO CA C 13 64.374 0.200 . 1 . . . A 39 PRO CA . 19390 1 420 . 1 1 39 39 PRO CB C 13 32.088 0.007 . 1 . . . A 39 PRO CB . 19390 1 421 . 1 1 39 39 PRO CG C 13 26.848 0.003 . 1 . . . A 39 PRO CG . 19390 1 422 . 1 1 39 39 PRO CD C 13 50.701 0.011 . 1 . . . A 39 PRO CD . 19390 1 423 . 1 1 40 40 TYR H H 1 7.818 0.020 . 1 . . . A 40 TYR H . 19390 1 424 . 1 1 40 40 TYR HA H 1 4.509 0.020 . 1 . . . A 40 TYR HA . 19390 1 425 . 1 1 40 40 TYR HB2 H 1 3.162 0.020 . 1 . . . A 40 TYR HB2 . 19390 1 426 . 1 1 40 40 TYR HB3 H 1 3.022 0.020 . 1 . . . A 40 TYR HB3 . 19390 1 427 . 1 1 40 40 TYR HD1 H 1 7.171 0.002 . 3 . . . A 40 TYR HD1 . 19390 1 428 . 1 1 40 40 TYR HD2 H 1 7.171 0.002 . 3 . . . A 40 TYR HD2 . 19390 1 429 . 1 1 40 40 TYR HE1 H 1 6.866 0.020 . 3 . . . A 40 TYR HE1 . 19390 1 430 . 1 1 40 40 TYR HE2 H 1 6.866 0.020 . 3 . . . A 40 TYR HE2 . 19390 1 431 . 1 1 40 40 TYR CA C 13 58.814 0.200 . 1 . . . A 40 TYR CA . 19390 1 432 . 1 1 40 40 TYR CB C 13 37.907 0.019 . 1 . . . A 40 TYR CB . 19390 1 433 . 1 1 40 40 TYR CD1 C 13 133.235 0.020 . 3 . . . A 40 TYR CD1 . 19390 1 434 . 1 1 40 40 TYR CD2 C 13 133.235 0.020 . 3 . . . A 40 TYR CD2 . 19390 1 435 . 1 1 40 40 TYR CE1 C 13 118.503 0.200 . 3 . . . A 40 TYR CE1 . 19390 1 436 . 1 1 40 40 TYR CE2 C 13 118.503 0.200 . 3 . . . A 40 TYR CE2 . 19390 1 437 . 1 1 40 40 TYR N N 15 118.056 0.200 . 1 . . . A 40 TYR N . 19390 1 438 . 1 1 41 41 GLN H H 1 7.537 0.020 . 1 . . . A 41 GLN H . 19390 1 439 . 1 1 41 41 GLN HA H 1 4.085 0.020 . 1 . . . A 41 GLN HA . 19390 1 440 . 1 1 41 41 GLN HB2 H 1 2.071 0.020 . 1 . . . A 41 GLN HB2 . 19390 1 441 . 1 1 41 41 GLN HB3 H 1 1.996 0.020 . 1 . . . A 41 GLN HB3 . 19390 1 442 . 1 1 41 41 GLN HG2 H 1 2.359 0.020 . 2 . . . A 41 GLN HG2 . 19390 1 443 . 1 1 41 41 GLN HG3 H 1 2.359 0.020 . 2 . . . A 41 GLN HG3 . 19390 1 444 . 1 1 41 41 GLN CA C 13 56.997 0.200 . 1 . . . A 41 GLN CA . 19390 1 445 . 1 1 41 41 GLN CB C 13 29.359 0.002 . 1 . . . A 41 GLN CB . 19390 1 446 . 1 1 41 41 GLN CG C 13 33.897 0.200 . 1 . . . A 41 GLN CG . 19390 1 447 . 1 1 41 41 GLN N N 15 118.923 0.200 . 1 . . . A 41 GLN N . 19390 1 448 . 1 1 42 42 GLU H H 1 8.294 0.020 . 1 . . . A 42 GLU H . 19390 1 449 . 1 1 42 42 GLU HA H 1 3.983 0.020 . 1 . . . A 42 GLU HA . 19390 1 450 . 1 1 42 42 GLU HB2 H 1 1.968 0.020 . 1 . . . A 42 GLU HB2 . 19390 1 451 . 1 1 42 42 GLU HB3 H 1 2.131 0.020 . 1 . . . A 42 GLU HB3 . 19390 1 452 . 1 1 42 42 GLU HG2 H 1 2.363 0.020 . 1 . . . A 42 GLU HG2 . 19390 1 453 . 1 1 42 42 GLU HG3 H 1 2.266 0.020 . 1 . . . A 42 GLU HG3 . 19390 1 454 . 1 1 42 42 GLU CA C 13 58.700 0.200 . 1 . . . A 42 GLU CA . 19390 1 455 . 1 1 42 42 GLU CB C 13 29.600 0.200 . 1 . . . A 42 GLU CB . 19390 1 456 . 1 1 42 42 GLU CG C 13 36.102 0.043 . 1 . . . A 42 GLU CG . 19390 1 457 . 1 1 42 42 GLU N N 15 121.556 0.200 . 1 . . . A 42 GLU N . 19390 1 458 . 1 1 43 43 GLN H H 1 7.898 0.020 . 1 . . . A 43 GLN H . 19390 1 459 . 1 1 43 43 GLN HA H 1 4.266 0.020 . 1 . . . A 43 GLN HA . 19390 1 460 . 1 1 43 43 GLN HB2 H 1 2.153 0.020 . 1 . . . A 43 GLN HB2 . 19390 1 461 . 1 1 43 43 GLN HB3 H 1 2.092 0.020 . 1 . . . A 43 GLN HB3 . 19390 1 462 . 1 1 43 43 GLN HG2 H 1 2.433 0.020 . 2 . . . A 43 GLN HG2 . 19390 1 463 . 1 1 43 43 GLN HG3 H 1 2.433 0.020 . 2 . . . A 43 GLN HG3 . 19390 1 464 . 1 1 43 43 GLN CA C 13 56.668 0.200 . 1 . . . A 43 GLN CA . 19390 1 465 . 1 1 43 43 GLN CB C 13 29.038 0.019 . 1 . . . A 43 GLN CB . 19390 1 466 . 1 1 43 43 GLN CG C 13 33.998 0.200 . 1 . . . A 43 GLN CG . 19390 1 467 . 1 1 43 43 GLN N N 15 117.353 0.200 . 1 . . . A 43 GLN N . 19390 1 468 . 1 1 44 44 LEU H H 1 7.613 0.020 . 1 . . . A 44 LEU H . 19390 1 469 . 1 1 44 44 LEU HA H 1 4.365 0.020 . 1 . . . A 44 LEU HA . 19390 1 470 . 1 1 44 44 LEU HB2 H 1 1.579 0.020 . 2 . . . A 44 LEU HB2 . 19390 1 471 . 1 1 44 44 LEU HB3 H 1 1.579 0.020 . 2 . . . A 44 LEU HB3 . 19390 1 472 . 1 1 44 44 LEU HG H 1 1.581 0.020 . 1 . . . A 44 LEU HG . 19390 1 473 . 1 1 44 44 LEU HD11 H 1 0.816 0.020 . 1 . . . A 44 LEU HD11 . 19390 1 474 . 1 1 44 44 LEU HD12 H 1 0.816 0.020 . 1 . . . A 44 LEU HD12 . 19390 1 475 . 1 1 44 44 LEU HD13 H 1 0.816 0.020 . 1 . . . A 44 LEU HD13 . 19390 1 476 . 1 1 44 44 LEU HD21 H 1 0.819 0.020 . 1 . . . A 44 LEU HD21 . 19390 1 477 . 1 1 44 44 LEU HD22 H 1 0.819 0.020 . 1 . . . A 44 LEU HD22 . 19390 1 478 . 1 1 44 44 LEU HD23 H 1 0.819 0.020 . 1 . . . A 44 LEU HD23 . 19390 1 479 . 1 1 44 44 LEU CA C 13 54.935 0.200 . 1 . . . A 44 LEU CA . 19390 1 480 . 1 1 44 44 LEU CB C 13 42.453 0.200 . 1 . . . A 44 LEU CB . 19390 1 481 . 1 1 44 44 LEU CG C 13 26.895 0.200 . 1 . . . A 44 LEU CG . 19390 1 482 . 1 1 44 44 LEU CD1 C 13 24.972 0.200 . 1 . . . A 44 LEU CD1 . 19390 1 483 . 1 1 44 44 LEU CD2 C 13 23.127 0.200 . 1 . . . A 44 LEU CD2 . 19390 1 484 . 1 1 44 44 LEU N N 15 120.635 0.200 . 1 . . . A 44 LEU N . 19390 1 485 . 1 1 45 45 SER H H 1 7.696 0.020 . 1 . . . A 45 SER H . 19390 1 486 . 1 1 45 45 SER HA H 1 4.273 0.020 . 1 . . . A 45 SER HA . 19390 1 487 . 1 1 45 45 SER HB2 H 1 3.753 0.020 . 1 . . . A 45 SER HB2 . 19390 1 488 . 1 1 45 45 SER HB3 H 1 3.517 0.020 . 1 . . . A 45 SER HB3 . 19390 1 489 . 1 1 45 45 SER CA C 13 59.272 0.200 . 1 . . . A 45 SER CA . 19390 1 490 . 1 1 45 45 SER CB C 13 63.636 0.051 . 1 . . . A 45 SER CB . 19390 1 491 . 1 1 45 45 SER N N 15 114.883 0.200 . 1 . . . A 45 SER N . 19390 1 492 . 1 1 46 46 ASP H H 1 8.352 0.020 . 1 . . . A 46 ASP H . 19390 1 493 . 1 1 46 46 ASP HA H 1 4.762 0.020 . 1 . . . A 46 ASP HA . 19390 1 494 . 1 1 46 46 ASP HB2 H 1 2.758 0.003 . 2 . . . A 46 ASP HB2 . 19390 1 495 . 1 1 46 46 ASP HB3 H 1 2.758 0.003 . 2 . . . A 46 ASP HB3 . 19390 1 496 . 1 1 46 46 ASP CA C 13 53.897 0.200 . 1 . . . A 46 ASP CA . 19390 1 497 . 1 1 46 46 ASP CB C 13 41.083 0.008 . 1 . . . A 46 ASP CB . 19390 1 498 . 1 1 46 46 ASP N N 15 122.467 0.200 . 1 . . . A 46 ASP N . 19390 1 499 . 1 1 47 47 THR H H 1 7.696 0.020 . 1 . . . A 47 THR H . 19390 1 500 . 1 1 47 47 THR HA H 1 4.708 0.020 . 1 . . . A 47 THR HA . 19390 1 501 . 1 1 47 47 THR HB H 1 4.416 0.020 . 1 . . . A 47 THR HB . 19390 1 502 . 1 1 47 47 THR HG21 H 1 1.346 0.020 . 1 . . . A 47 THR HG21 . 19390 1 503 . 1 1 47 47 THR HG22 H 1 1.346 0.020 . 1 . . . A 47 THR HG22 . 19390 1 504 . 1 1 47 47 THR HG23 H 1 1.346 0.020 . 1 . . . A 47 THR HG23 . 19390 1 505 . 1 1 47 47 THR CA C 13 59.767 0.200 . 1 . . . A 47 THR CA . 19390 1 506 . 1 1 47 47 THR CB C 13 69.342 0.200 . 1 . . . A 47 THR CB . 19390 1 507 . 1 1 47 47 THR CG2 C 13 22.703 0.200 . 1 . . . A 47 THR CG2 . 19390 1 508 . 1 1 47 47 THR N N 15 113.208 0.200 . 1 . . . A 47 THR N . 19390 1 509 . 1 1 48 48 PRO HA H 1 4.459 0.020 . 1 . . . A 48 PRO HA . 19390 1 510 . 1 1 48 48 PRO HB2 H 1 2.369 0.020 . 1 . . . A 48 PRO HB2 . 19390 1 511 . 1 1 48 48 PRO HB3 H 1 1.850 0.020 . 1 . . . A 48 PRO HB3 . 19390 1 512 . 1 1 48 48 PRO HG2 H 1 2.084 0.020 . 2 . . . A 48 PRO HG2 . 19390 1 513 . 1 1 48 48 PRO HG3 H 1 2.084 0.020 . 2 . . . A 48 PRO HG3 . 19390 1 514 . 1 1 48 48 PRO HD2 H 1 3.780 0.020 . 1 . . . A 48 PRO HD2 . 19390 1 515 . 1 1 48 48 PRO HD3 H 1 3.939 0.020 . 1 . . . A 48 PRO HD3 . 19390 1 516 . 1 1 48 48 PRO CA C 13 63.397 0.200 . 1 . . . A 48 PRO CA . 19390 1 517 . 1 1 48 48 PRO CB C 13 32.484 0.014 . 1 . . . A 48 PRO CB . 19390 1 518 . 1 1 48 48 PRO CG C 13 27.669 0.200 . 1 . . . A 48 PRO CG . 19390 1 519 . 1 1 48 48 PRO CD C 13 51.159 0.049 . 1 . . . A 48 PRO CD . 19390 1 520 . 1 1 49 49 LEU H H 1 8.114 0.020 . 1 . . . A 49 LEU H . 19390 1 521 . 1 1 49 49 LEU HA H 1 4.346 0.020 . 1 . . . A 49 LEU HA . 19390 1 522 . 1 1 49 49 LEU HB2 H 1 1.520 0.004 . 1 . . . A 49 LEU HB2 . 19390 1 523 . 1 1 49 49 LEU HB3 H 1 1.077 0.020 . 1 . . . A 49 LEU HB3 . 19390 1 524 . 1 1 49 49 LEU HG H 1 1.321 0.001 . 1 . . . A 49 LEU HG . 19390 1 525 . 1 1 49 49 LEU HD11 H 1 0.649 0.020 . 1 . . . A 49 LEU HD11 . 19390 1 526 . 1 1 49 49 LEU HD12 H 1 0.649 0.020 . 1 . . . A 49 LEU HD12 . 19390 1 527 . 1 1 49 49 LEU HD13 H 1 0.649 0.020 . 1 . . . A 49 LEU HD13 . 19390 1 528 . 1 1 49 49 LEU HD21 H 1 0.246 0.020 . 1 . . . A 49 LEU HD21 . 19390 1 529 . 1 1 49 49 LEU HD22 H 1 0.246 0.020 . 1 . . . A 49 LEU HD22 . 19390 1 530 . 1 1 49 49 LEU HD23 H 1 0.246 0.020 . 1 . . . A 49 LEU HD23 . 19390 1 531 . 1 1 49 49 LEU CA C 13 54.134 0.200 . 1 . . . A 49 LEU CA . 19390 1 532 . 1 1 49 49 LEU CB C 13 43.308 0.022 . 1 . . . A 49 LEU CB . 19390 1 533 . 1 1 49 49 LEU CG C 13 27.111 0.054 . 1 . . . A 49 LEU CG . 19390 1 534 . 1 1 49 49 LEU CD1 C 13 24.800 0.200 . 1 . . . A 49 LEU CD1 . 19390 1 535 . 1 1 49 49 LEU CD2 C 13 22.906 0.200 . 1 . . . A 49 LEU CD2 . 19390 1 536 . 1 1 49 49 LEU N N 15 121.960 0.200 . 1 . . . A 49 LEU N . 19390 1 537 . 1 1 50 50 ILE H H 1 9.351 0.020 . 1 . . . A 50 ILE H . 19390 1 538 . 1 1 50 50 ILE HA H 1 4.485 0.005 . 1 . . . A 50 ILE HA . 19390 1 539 . 1 1 50 50 ILE HB H 1 1.728 0.020 . 1 . . . A 50 ILE HB . 19390 1 540 . 1 1 50 50 ILE HG12 H 1 1.080 0.020 . 1 . . . A 50 ILE HG12 . 19390 1 541 . 1 1 50 50 ILE HG13 H 1 1.537 0.020 . 1 . . . A 50 ILE HG13 . 19390 1 542 . 1 1 50 50 ILE HG21 H 1 0.792 0.020 . 1 . . . A 50 ILE HG21 . 19390 1 543 . 1 1 50 50 ILE HG22 H 1 0.792 0.020 . 1 . . . A 50 ILE HG22 . 19390 1 544 . 1 1 50 50 ILE HG23 H 1 0.792 0.020 . 1 . . . A 50 ILE HG23 . 19390 1 545 . 1 1 50 50 ILE HD11 H 1 0.783 0.020 . 1 . . . A 50 ILE HD11 . 19390 1 546 . 1 1 50 50 ILE HD12 H 1 0.783 0.020 . 1 . . . A 50 ILE HD12 . 19390 1 547 . 1 1 50 50 ILE HD13 H 1 0.783 0.020 . 1 . . . A 50 ILE HD13 . 19390 1 548 . 1 1 50 50 ILE CA C 13 58.184 0.039 . 1 . . . A 50 ILE CA . 19390 1 549 . 1 1 50 50 ILE CB C 13 40.050 0.200 . 1 . . . A 50 ILE CB . 19390 1 550 . 1 1 50 50 ILE CG1 C 13 27.477 0.033 . 1 . . . A 50 ILE CG1 . 19390 1 551 . 1 1 50 50 ILE CG2 C 13 17.385 0.200 . 1 . . . A 50 ILE CG2 . 19390 1 552 . 1 1 50 50 ILE CD1 C 13 13.722 0.200 . 1 . . . A 50 ILE CD1 . 19390 1 553 . 1 1 50 50 ILE N N 15 126.325 0.200 . 1 . . . A 50 ILE N . 19390 1 554 . 1 1 51 51 PRO HA H 1 4.940 0.020 . 1 . . . A 51 PRO HA . 19390 1 555 . 1 1 51 51 PRO HB2 H 1 1.964 0.020 . 1 . . . A 51 PRO HB2 . 19390 1 556 . 1 1 51 51 PRO HB3 H 1 2.235 0.020 . 1 . . . A 51 PRO HB3 . 19390 1 557 . 1 1 51 51 PRO HG2 H 1 2.070 0.020 . 1 . . . A 51 PRO HG2 . 19390 1 558 . 1 1 51 51 PRO HG3 H 1 1.964 0.020 . 1 . . . A 51 PRO HG3 . 19390 1 559 . 1 1 51 51 PRO HD2 H 1 3.718 0.001 . 1 . . . A 51 PRO HD2 . 19390 1 560 . 1 1 51 51 PRO HD3 H 1 3.927 0.020 . 1 . . . A 51 PRO HD3 . 19390 1 561 . 1 1 51 51 PRO CA C 13 61.995 0.015 . 1 . . . A 51 PRO CA . 19390 1 562 . 1 1 51 51 PRO CB C 13 32.280 0.044 . 1 . . . A 51 PRO CB . 19390 1 563 . 1 1 51 51 PRO CG C 13 27.425 0.036 . 1 . . . A 51 PRO CG . 19390 1 564 . 1 1 51 51 PRO CD C 13 51.336 0.012 . 1 . . . A 51 PRO CD . 19390 1 565 . 1 1 52 52 LEU H H 1 8.875 0.020 . 1 . . . A 52 LEU H . 19390 1 566 . 1 1 52 52 LEU HA H 1 5.265 0.020 . 1 . . . A 52 LEU HA . 19390 1 567 . 1 1 52 52 LEU HB2 H 1 1.504 0.020 . 1 . . . A 52 LEU HB2 . 19390 1 568 . 1 1 52 52 LEU HB3 H 1 1.352 0.020 . 1 . . . A 52 LEU HB3 . 19390 1 569 . 1 1 52 52 LEU HG H 1 1.672 0.020 . 1 . . . A 52 LEU HG . 19390 1 570 . 1 1 52 52 LEU HD11 H 1 0.725 0.020 . 2 . . . A 52 LEU HD11 . 19390 1 571 . 1 1 52 52 LEU HD12 H 1 0.725 0.020 . 2 . . . A 52 LEU HD12 . 19390 1 572 . 1 1 52 52 LEU HD13 H 1 0.725 0.020 . 2 . . . A 52 LEU HD13 . 19390 1 573 . 1 1 52 52 LEU HD21 H 1 0.725 0.020 . 2 . . . A 52 LEU HD21 . 19390 1 574 . 1 1 52 52 LEU HD22 H 1 0.725 0.020 . 2 . . . A 52 LEU HD22 . 19390 1 575 . 1 1 52 52 LEU HD23 H 1 0.725 0.020 . 2 . . . A 52 LEU HD23 . 19390 1 576 . 1 1 52 52 LEU CA C 13 54.361 0.200 . 1 . . . A 52 LEU CA . 19390 1 577 . 1 1 52 52 LEU CB C 13 46.108 0.047 . 1 . . . A 52 LEU CB . 19390 1 578 . 1 1 52 52 LEU CG C 13 27.695 0.200 . 1 . . . A 52 LEU CG . 19390 1 579 . 1 1 52 52 LEU CD1 C 13 25.977 0.200 . 2 . . . A 52 LEU CD1 . 19390 1 580 . 1 1 52 52 LEU CD2 C 13 25.977 0.200 . 2 . . . A 52 LEU CD2 . 19390 1 581 . 1 1 52 52 LEU N N 15 121.794 0.200 . 1 . . . A 52 LEU N . 19390 1 582 . 1 1 53 53 THR H H 1 8.827 0.020 . 1 . . . A 53 THR H . 19390 1 583 . 1 1 53 53 THR HA H 1 4.922 0.006 . 1 . . . A 53 THR HA . 19390 1 584 . 1 1 53 53 THR HB H 1 3.996 0.020 . 1 . . . A 53 THR HB . 19390 1 585 . 1 1 53 53 THR HG21 H 1 0.858 0.020 . 1 . . . A 53 THR HG21 . 19390 1 586 . 1 1 53 53 THR HG22 H 1 0.858 0.020 . 1 . . . A 53 THR HG22 . 19390 1 587 . 1 1 53 53 THR HG23 H 1 0.858 0.020 . 1 . . . A 53 THR HG23 . 19390 1 588 . 1 1 53 53 THR CA C 13 62.427 0.013 . 1 . . . A 53 THR CA . 19390 1 589 . 1 1 53 53 THR CB C 13 70.731 0.200 . 1 . . . A 53 THR CB . 19390 1 590 . 1 1 53 53 THR CG2 C 13 22.308 0.200 . 1 . . . A 53 THR CG2 . 19390 1 591 . 1 1 53 53 THR N N 15 118.726 0.200 . 1 . . . A 53 THR N . 19390 1 592 . 1 1 54 54 ILE H H 1 9.116 0.020 . 1 . . . A 54 ILE H . 19390 1 593 . 1 1 54 54 ILE HA H 1 4.962 0.020 . 1 . . . A 54 ILE HA . 19390 1 594 . 1 1 54 54 ILE HB H 1 1.751 0.020 . 1 . . . A 54 ILE HB . 19390 1 595 . 1 1 54 54 ILE HG12 H 1 0.913 0.020 . 1 . . . A 54 ILE HG12 . 19390 1 596 . 1 1 54 54 ILE HG13 H 1 1.487 0.020 . 1 . . . A 54 ILE HG13 . 19390 1 597 . 1 1 54 54 ILE HG21 H 1 0.760 0.020 . 1 . . . A 54 ILE HG21 . 19390 1 598 . 1 1 54 54 ILE HG22 H 1 0.760 0.020 . 1 . . . A 54 ILE HG22 . 19390 1 599 . 1 1 54 54 ILE HG23 H 1 0.760 0.020 . 1 . . . A 54 ILE HG23 . 19390 1 600 . 1 1 54 54 ILE HD11 H 1 0.578 0.020 . 1 . . . A 54 ILE HD11 . 19390 1 601 . 1 1 54 54 ILE HD12 H 1 0.578 0.020 . 1 . . . A 54 ILE HD12 . 19390 1 602 . 1 1 54 54 ILE HD13 H 1 0.578 0.020 . 1 . . . A 54 ILE HD13 . 19390 1 603 . 1 1 54 54 ILE CA C 13 60.527 0.200 . 1 . . . A 54 ILE CA . 19390 1 604 . 1 1 54 54 ILE CB C 13 40.830 0.200 . 1 . . . A 54 ILE CB . 19390 1 605 . 1 1 54 54 ILE CG1 C 13 27.694 0.001 . 1 . . . A 54 ILE CG1 . 19390 1 606 . 1 1 54 54 ILE CG2 C 13 18.271 0.200 . 1 . . . A 54 ILE CG2 . 19390 1 607 . 1 1 54 54 ILE CD1 C 13 13.531 0.200 . 1 . . . A 54 ILE CD1 . 19390 1 608 . 1 1 54 54 ILE N N 15 125.500 0.200 . 1 . . . A 54 ILE N . 19390 1 609 . 1 1 55 55 PHE H H 1 9.348 0.020 . 1 . . . A 55 PHE H . 19390 1 610 . 1 1 55 55 PHE HA H 1 5.386 0.002 . 1 . . . A 55 PHE HA . 19390 1 611 . 1 1 55 55 PHE HB2 H 1 3.059 0.020 . 1 . . . A 55 PHE HB2 . 19390 1 612 . 1 1 55 55 PHE HB3 H 1 3.168 0.020 . 1 . . . A 55 PHE HB3 . 19390 1 613 . 1 1 55 55 PHE HD1 H 1 7.233 0.020 . 3 . . . A 55 PHE HD1 . 19390 1 614 . 1 1 55 55 PHE HD2 H 1 7.233 0.020 . 3 . . . A 55 PHE HD2 . 19390 1 615 . 1 1 55 55 PHE HE1 H 1 7.137 0.020 . 3 . . . A 55 PHE HE1 . 19390 1 616 . 1 1 55 55 PHE HE2 H 1 7.137 0.020 . 3 . . . A 55 PHE HE2 . 19390 1 617 . 1 1 55 55 PHE HZ H 1 7.176 0.020 . 1 . . . A 55 PHE HZ . 19390 1 618 . 1 1 55 55 PHE CA C 13 55.759 0.054 . 1 . . . A 55 PHE CA . 19390 1 619 . 1 1 55 55 PHE CB C 13 41.193 0.003 . 1 . . . A 55 PHE CB . 19390 1 620 . 1 1 55 55 PHE CD1 C 13 131.645 0.200 . 3 . . . A 55 PHE CD1 . 19390 1 621 . 1 1 55 55 PHE CD2 C 13 131.645 0.200 . 3 . . . A 55 PHE CD2 . 19390 1 622 . 1 1 55 55 PHE CZ C 13 129.891 0.200 . 1 . . . A 55 PHE CZ . 19390 1 623 . 1 1 55 55 PHE N N 15 126.244 0.200 . 1 . . . A 55 PHE N . 19390 1 624 . 1 1 56 56 VAL H H 1 8.424 0.020 . 1 . . . A 56 VAL H . 19390 1 625 . 1 1 56 56 VAL HA H 1 4.614 0.001 . 1 . . . A 56 VAL HA . 19390 1 626 . 1 1 56 56 VAL HB H 1 2.067 0.020 . 1 . . . A 56 VAL HB . 19390 1 627 . 1 1 56 56 VAL HG11 H 1 0.959 0.020 . 2 . . . A 56 VAL HG11 . 19390 1 628 . 1 1 56 56 VAL HG12 H 1 0.959 0.020 . 2 . . . A 56 VAL HG12 . 19390 1 629 . 1 1 56 56 VAL HG13 H 1 0.959 0.020 . 2 . . . A 56 VAL HG13 . 19390 1 630 . 1 1 56 56 VAL HG21 H 1 0.959 0.020 . 2 . . . A 56 VAL HG21 . 19390 1 631 . 1 1 56 56 VAL HG22 H 1 0.959 0.020 . 2 . . . A 56 VAL HG22 . 19390 1 632 . 1 1 56 56 VAL HG23 H 1 0.959 0.020 . 2 . . . A 56 VAL HG23 . 19390 1 633 . 1 1 56 56 VAL CA C 13 62.066 0.067 . 1 . . . A 56 VAL CA . 19390 1 634 . 1 1 56 56 VAL CB C 13 32.730 0.001 . 1 . . . A 56 VAL CB . 19390 1 635 . 1 1 56 56 VAL CG1 C 13 21.819 0.200 . 2 . . . A 56 VAL CG1 . 19390 1 636 . 1 1 56 56 VAL CG2 C 13 21.819 0.200 . 2 . . . A 56 VAL CG2 . 19390 1 637 . 1 1 56 56 VAL N N 15 123.920 0.200 . 1 . . . A 56 VAL N . 19390 1 638 . 1 1 57 57 GLY H H 1 8.483 0.020 . 1 . . . A 57 GLY H . 19390 1 639 . 1 1 57 57 GLY HA2 H 1 3.945 0.020 . 1 . . . A 57 GLY HA2 . 19390 1 640 . 1 1 57 57 GLY HA3 H 1 4.350 0.020 . 1 . . . A 57 GLY HA3 . 19390 1 641 . 1 1 57 57 GLY CA C 13 44.513 0.013 . 1 . . . A 57 GLY CA . 19390 1 642 . 1 1 57 57 GLY N N 15 113.280 0.200 . 1 . . . A 57 GLY N . 19390 1 643 . 1 1 58 58 GLU H H 1 8.283 0.020 . 1 . . . A 58 GLU H . 19390 1 644 . 1 1 58 58 GLU HA H 1 4.412 0.020 . 1 . . . A 58 GLU HA . 19390 1 645 . 1 1 58 58 GLU HB2 H 1 1.968 0.020 . 1 . . . A 58 GLU HB2 . 19390 1 646 . 1 1 58 58 GLU HB3 H 1 2.061 0.020 . 1 . . . A 58 GLU HB3 . 19390 1 647 . 1 1 58 58 GLU HG2 H 1 2.268 0.020 . 2 . . . A 58 GLU HG2 . 19390 1 648 . 1 1 58 58 GLU HG3 H 1 2.268 0.020 . 2 . . . A 58 GLU HG3 . 19390 1 649 . 1 1 58 58 GLU CA C 13 56.298 0.200 . 1 . . . A 58 GLU CA . 19390 1 650 . 1 1 58 58 GLU CB C 13 31.404 0.025 . 1 . . . A 58 GLU CB . 19390 1 651 . 1 1 58 58 GLU CG C 13 36.335 0.200 . 1 . . . A 58 GLU CG . 19390 1 652 . 1 1 58 58 GLU N N 15 118.539 0.200 . 1 . . . A 58 GLU N . 19390 1 653 . 1 1 59 59 ASN H H 1 8.530 0.020 . 1 . . . A 59 ASN H . 19390 1 654 . 1 1 59 59 ASN HA H 1 4.852 0.020 . 1 . . . A 59 ASN HA . 19390 1 655 . 1 1 59 59 ASN HB2 H 1 2.722 0.020 . 1 . . . A 59 ASN HB2 . 19390 1 656 . 1 1 59 59 ASN HB3 H 1 2.839 0.020 . 1 . . . A 59 ASN HB3 . 19390 1 657 . 1 1 59 59 ASN CA C 13 53.120 0.200 . 1 . . . A 59 ASN CA . 19390 1 658 . 1 1 59 59 ASN CB C 13 39.150 0.060 . 1 . . . A 59 ASN CB . 19390 1 659 . 1 1 59 59 ASN N N 15 120.870 0.200 . 1 . . . A 59 ASN N . 19390 1 660 . 1 1 60 60 THR H H 1 8.161 0.020 . 1 . . . A 60 THR H . 19390 1 661 . 1 1 60 60 THR HA H 1 4.358 0.020 . 1 . . . A 60 THR HA . 19390 1 662 . 1 1 60 60 THR HB H 1 4.316 0.020 . 1 . . . A 60 THR HB . 19390 1 663 . 1 1 60 60 THR HG21 H 1 1.210 0.020 . 1 . . . A 60 THR HG21 . 19390 1 664 . 1 1 60 60 THR HG22 H 1 1.210 0.020 . 1 . . . A 60 THR HG22 . 19390 1 665 . 1 1 60 60 THR HG23 H 1 1.210 0.020 . 1 . . . A 60 THR HG23 . 19390 1 666 . 1 1 60 60 THR CA C 13 62.086 0.200 . 1 . . . A 60 THR CA . 19390 1 667 . 1 1 60 60 THR CB C 13 69.713 0.200 . 1 . . . A 60 THR CB . 19390 1 668 . 1 1 60 60 THR CG2 C 13 21.681 0.200 . 1 . . . A 60 THR CG2 . 19390 1 669 . 1 1 60 60 THR N N 15 114.187 0.200 . 1 . . . A 60 THR N . 19390 1 670 . 1 1 61 61 GLY H H 1 8.280 0.020 . 1 . . . A 61 GLY H . 19390 1 671 . 1 1 61 61 GLY HA2 H 1 3.983 0.020 . 2 . . . A 61 GLY HA2 . 19390 1 672 . 1 1 61 61 GLY HA3 H 1 3.983 0.020 . 2 . . . A 61 GLY HA3 . 19390 1 673 . 1 1 61 61 GLY CA C 13 45.690 0.200 . 1 . . . A 61 GLY CA . 19390 1 674 . 1 1 61 61 GLY N N 15 111.003 0.200 . 1 . . . A 61 GLY N . 19390 1 675 . 1 1 62 62 VAL H H 1 7.419 0.020 . 1 . . . A 62 VAL H . 19390 1 676 . 1 1 62 62 VAL HA H 1 4.093 0.020 . 1 . . . A 62 VAL HA . 19390 1 677 . 1 1 62 62 VAL HG11 H 1 0.858 0.020 . 1 . . . A 62 VAL HG11 . 19390 1 678 . 1 1 62 62 VAL HG12 H 1 0.858 0.020 . 1 . . . A 62 VAL HG12 . 19390 1 679 . 1 1 62 62 VAL HG13 H 1 0.858 0.020 . 1 . . . A 62 VAL HG13 . 19390 1 680 . 1 1 62 62 VAL HG21 H 1 0.920 0.020 . 1 . . . A 62 VAL HG21 . 19390 1 681 . 1 1 62 62 VAL HG22 H 1 0.920 0.020 . 1 . . . A 62 VAL HG22 . 19390 1 682 . 1 1 62 62 VAL HG23 H 1 0.920 0.020 . 1 . . . A 62 VAL HG23 . 19390 1 683 . 1 1 62 62 VAL CA C 13 63.490 0.200 . 1 . . . A 62 VAL CA . 19390 1 684 . 1 1 62 62 VAL CG1 C 13 20.031 0.200 . 1 . . . A 62 VAL CG1 . 19390 1 685 . 1 1 62 62 VAL CG2 C 13 21.548 0.200 . 1 . . . A 62 VAL CG2 . 19390 1 686 . 1 1 62 62 VAL N N 15 122.517 0.200 . 1 . . . A 62 VAL N . 19390 1 stop_ save_