data_25449 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25449 _Entry.Title ; Solution structure of RNA recognition motif of a cyclophilin33 - like protein from Plasmodium falciparum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-22 _Entry.Accession_date 2015-01-22 _Entry.Last_release_date 2016-01-25 _Entry.Original_release_date 2016-01-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.93 _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.ORCID _Entry_author.Entry_ID 1 'Akshay Kumar' Ganguly . . . . 25449 2 'Neel Sarovar' Bhavesh . . . . 25449 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' . 25449 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PfCyp33 . 25449 'RNA recognition motif' . 25449 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25449 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 25449 '15N chemical shifts' 97 25449 '1H chemical shifts' 535 25449 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 . . 2016-01-25 . original BMRB . 25449 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI XP_002809024.1 'RRM containing cyclophilin [Plasmodium falciparum 3D7]' 25449 PDB 2MYF 'BMRB Entry Tracking System' 25449 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25449 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of RNA recognition motif of a cyclophilin33 - like protein from Plasmodium falciparum ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Akshay Kumar' Ganguly . . . . 25449 1 2 'Neel Sarovar' Bhavesh . . . . 25449 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25449 _Assembly.ID 1 _Assembly.Name 'RNA recognition motif of a cyclophilin33 - like protein from Plasmodium falciparum' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM 1 $RRM A . yes native no no . . . 25449 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM _Entity.Sf_category entity _Entity.Sf_framecode RRM _Entity.Entry_ID 25449 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSDNNATDILFVGGIDE TIDEKSLYDIFSSFGDIRNI EVPLNMTTKKNRGFAFVEYV EVDDAKHALYNMNNFELNGK RIHVNYSKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues G,S and H at the N-terminus are part of a non-native affinity tag from the vector pET28a and have been renumbered to -2,-1 and 0. ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RNA recognition motif' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10149.340 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes NCBI XP_002809024.1 . 'RRM containing cyclophilin [Plasmodium falciparum 3D7]' . . . . . . . . . . . . . . 25449 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 -2 GLY . 25449 1 2 -1 SER . 25449 1 3 0 HIS . 25449 1 4 1 MET . 25449 1 5 2 SER . 25449 1 6 3 ASP . 25449 1 7 4 ASN . 25449 1 8 5 ASN . 25449 1 9 6 ALA . 25449 1 10 7 THR . 25449 1 11 8 ASP . 25449 1 12 9 ILE . 25449 1 13 10 LEU . 25449 1 14 11 PHE . 25449 1 15 12 VAL . 25449 1 16 13 GLY . 25449 1 17 14 GLY . 25449 1 18 15 ILE . 25449 1 19 16 ASP . 25449 1 20 17 GLU . 25449 1 21 18 THR . 25449 1 22 19 ILE . 25449 1 23 20 ASP . 25449 1 24 21 GLU . 25449 1 25 22 LYS . 25449 1 26 23 SER . 25449 1 27 24 LEU . 25449 1 28 25 TYR . 25449 1 29 26 ASP . 25449 1 30 27 ILE . 25449 1 31 28 PHE . 25449 1 32 29 SER . 25449 1 33 30 SER . 25449 1 34 31 PHE . 25449 1 35 32 GLY . 25449 1 36 33 ASP . 25449 1 37 34 ILE . 25449 1 38 35 ARG . 25449 1 39 36 ASN . 25449 1 40 37 ILE . 25449 1 41 38 GLU . 25449 1 42 39 VAL . 25449 1 43 40 PRO . 25449 1 44 41 LEU . 25449 1 45 42 ASN . 25449 1 46 43 MET . 25449 1 47 44 THR . 25449 1 48 45 THR . 25449 1 49 46 LYS . 25449 1 50 47 LYS . 25449 1 51 48 ASN . 25449 1 52 49 ARG . 25449 1 53 50 GLY . 25449 1 54 51 PHE . 25449 1 55 52 ALA . 25449 1 56 53 PHE . 25449 1 57 54 VAL . 25449 1 58 55 GLU . 25449 1 59 56 TYR . 25449 1 60 57 VAL . 25449 1 61 58 GLU . 25449 1 62 59 VAL . 25449 1 63 60 ASP . 25449 1 64 61 ASP . 25449 1 65 62 ALA . 25449 1 66 63 LYS . 25449 1 67 64 HIS . 25449 1 68 65 ALA . 25449 1 69 66 LEU . 25449 1 70 67 TYR . 25449 1 71 68 ASN . 25449 1 72 69 MET . 25449 1 73 70 ASN . 25449 1 74 71 ASN . 25449 1 75 72 PHE . 25449 1 76 73 GLU . 25449 1 77 74 LEU . 25449 1 78 75 ASN . 25449 1 79 76 GLY . 25449 1 80 77 LYS . 25449 1 81 78 ARG . 25449 1 82 79 ILE . 25449 1 83 80 HIS . 25449 1 84 81 VAL . 25449 1 85 82 ASN . 25449 1 86 83 TYR . 25449 1 87 84 SER . 25449 1 88 85 LYS . 25449 1 89 86 THR . 25449 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 25449 1 . SER 2 2 25449 1 . HIS 3 3 25449 1 . MET 4 4 25449 1 . SER 5 5 25449 1 . ASP 6 6 25449 1 . ASN 7 7 25449 1 . ASN 8 8 25449 1 . ALA 9 9 25449 1 . THR 10 10 25449 1 . ASP 11 11 25449 1 . ILE 12 12 25449 1 . LEU 13 13 25449 1 . PHE 14 14 25449 1 . VAL 15 15 25449 1 . GLY 16 16 25449 1 . GLY 17 17 25449 1 . ILE 18 18 25449 1 . ASP 19 19 25449 1 . GLU 20 20 25449 1 . THR 21 21 25449 1 . ILE 22 22 25449 1 . ASP 23 23 25449 1 . GLU 24 24 25449 1 . LYS 25 25 25449 1 . SER 26 26 25449 1 . LEU 27 27 25449 1 . TYR 28 28 25449 1 . ASP 29 29 25449 1 . ILE 30 30 25449 1 . PHE 31 31 25449 1 . SER 32 32 25449 1 . SER 33 33 25449 1 . PHE 34 34 25449 1 . GLY 35 35 25449 1 . ASP 36 36 25449 1 . ILE 37 37 25449 1 . ARG 38 38 25449 1 . ASN 39 39 25449 1 . ILE 40 40 25449 1 . GLU 41 41 25449 1 . VAL 42 42 25449 1 . PRO 43 43 25449 1 . LEU 44 44 25449 1 . ASN 45 45 25449 1 . MET 46 46 25449 1 . THR 47 47 25449 1 . THR 48 48 25449 1 . LYS 49 49 25449 1 . LYS 50 50 25449 1 . ASN 51 51 25449 1 . ARG 52 52 25449 1 . GLY 53 53 25449 1 . PHE 54 54 25449 1 . ALA 55 55 25449 1 . PHE 56 56 25449 1 . VAL 57 57 25449 1 . GLU 58 58 25449 1 . TYR 59 59 25449 1 . VAL 60 60 25449 1 . GLU 61 61 25449 1 . VAL 62 62 25449 1 . ASP 63 63 25449 1 . ASP 64 64 25449 1 . ALA 65 65 25449 1 . LYS 66 66 25449 1 . HIS 67 67 25449 1 . ALA 68 68 25449 1 . LEU 69 69 25449 1 . TYR 70 70 25449 1 . ASN 71 71 25449 1 . MET 72 72 25449 1 . ASN 73 73 25449 1 . ASN 74 74 25449 1 . PHE 75 75 25449 1 . GLU 76 76 25449 1 . LEU 77 77 25449 1 . ASN 78 78 25449 1 . GLY 79 79 25449 1 . LYS 80 80 25449 1 . ARG 81 81 25449 1 . ILE 82 82 25449 1 . HIS 83 83 25449 1 . VAL 84 84 25449 1 . ASN 85 85 25449 1 . TYR 86 86 25449 1 . SER 87 87 25449 1 . LYS 88 88 25449 1 . THR 89 89 25449 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 25449 _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 $RRM . 36329 organism . 'Plasmodium falciparum' Malaria . . Eukaryota . Plasmodium falciparum 3D7 . . . . . . . . . . PF13_0122 . 25449 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 25449 _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 $RRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' Codonplus . . . . pET28a . . . 25449 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25449 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM '[U-100% 13C; U-100% 15N]' . . 1 $RRM . . . 0.5 1 mM . . . . 25449 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25449 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25449 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25449 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25449 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25449 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25449 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 RRM '[U-100% 13C; U-100% 15N]' . . 1 $RRM . . . 0.5 1 mM . . . . 25449 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25449 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25449 2 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25449 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25449 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25449 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25449 1 pH 6.8 . pH 25449 1 pressure 1 . atm 25449 1 temperature 303 . K 25449 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25449 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25449 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25449 1 processing 25449 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25449 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25449 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25449 2 'data analysis' 25449 2 'peak picking' 25449 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25449 _Software.ID 3 _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' . . 25449 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25449 3 'structure solution' 25449 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25449 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25449 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25449 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 25449 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25449 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25449 _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 . 500 . . . 25449 1 2 spectrometer_2 Bruker Avance . 700 . . . 25449 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 25449 _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 . . . . . . . . . . . . . . . . 25449 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25449 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25449 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25449 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25449 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25449 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25449 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25449 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25449 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25449 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25449 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25449 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 25449 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25449 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25449 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25449 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 25449 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25449 1 2 '2D 1H-13C HSQC aliphatic' . . . 25449 1 3 '2D 1H-13C HSQC aromatic' . . . 25449 1 9 '3D 1H-15N NOESY' . . . 25449 1 10 '3D 1H-13C NOESY aliphatic' . . . 25449 1 11 '3D 1H-13C NOESY aromatic' . . . 25449 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 25449 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 HA3 H 1 3.78 0.02 . 1 . . . A -2 GLY HA3 . 25449 1 2 . 1 1 1 1 GLY C C 13 173.9 0.3 . 1 . . . A -2 GLY C . 25449 1 3 . 1 1 1 1 GLY CA C 13 43.4 0.3 . 1 . . . A -2 GLY CA . 25449 1 4 . 1 1 2 2 SER H H 1 8.67 0.02 . 1 . . . A -1 SER H . 25449 1 5 . 1 1 2 2 SER HA H 1 4.41 0.02 . 1 . . . A -1 SER HA . 25449 1 6 . 1 1 2 2 SER HB2 H 1 3.74 0.02 . 1 . . . A -1 SER HB2 . 25449 1 7 . 1 1 2 2 SER C C 13 172 0.3 . 1 . . . A -1 SER C . 25449 1 8 . 1 1 2 2 SER CA C 13 58.2 0.3 . 1 . . . A -1 SER CA . 25449 1 9 . 1 1 2 2 SER CB C 13 63.9 0.3 . 1 . . . A -1 SER CB . 25449 1 10 . 1 1 2 2 SER N N 15 115.6 0.3 . 1 . . . A -1 SER N . 25449 1 11 . 1 1 3 3 HIS H H 1 8.73 0.02 . 1 . . . A 0 HIS H . 25449 1 12 . 1 1 3 3 HIS HA H 1 4.59 0.02 . 1 . . . A 0 HIS HA . 25449 1 13 . 1 1 3 3 HIS HB2 H 1 3.11 0.02 . 2 . . . A 0 HIS HB2 . 25449 1 14 . 1 1 3 3 HIS HB3 H 1 3 0.02 . 2 . . . A 0 HIS HB3 . 25449 1 15 . 1 1 3 3 HIS HD2 H 1 7.06 0.02 . 1 . . . A 0 HIS HD2 . 25449 1 16 . 1 1 3 3 HIS C C 13 174.8 0.3 . 1 . . . A 0 HIS C . 25449 1 17 . 1 1 3 3 HIS CA C 13 56.1 0.3 . 1 . . . A 0 HIS CA . 25449 1 18 . 1 1 3 3 HIS CB C 13 29.9 0.3 . 1 . . . A 0 HIS CB . 25449 1 19 . 1 1 3 3 HIS CD2 C 13 120.1 0.3 . 1 . . . A 0 HIS CD2 . 25449 1 20 . 1 1 3 3 HIS N N 15 121.2 0.3 . 1 . . . A 0 HIS N . 25449 1 21 . 1 1 4 4 MET H H 1 8.45 0.02 . 1 . . . A 1 MET H . 25449 1 22 . 1 1 4 4 MET HA H 1 4.37 0.02 . 1 . . . A 1 MET HA . 25449 1 23 . 1 1 4 4 MET HB2 H 1 1.99 0.02 . 2 . . . A 1 MET HB2 . 25449 1 24 . 1 1 4 4 MET HB3 H 1 1.88 0.02 . 2 . . . A 1 MET HB3 . 25449 1 25 . 1 1 4 4 MET HG2 H 1 2.45 0.02 . 2 . . . A 1 MET HG2 . 25449 1 26 . 1 1 4 4 MET HG3 H 1 2.37 0.02 . 2 . . . A 1 MET HG3 . 25449 1 27 . 1 1 4 4 MET C C 13 176.3 0.3 . 1 . . . A 1 MET C . 25449 1 28 . 1 1 4 4 MET CA C 13 55.7 0.3 . 1 . . . A 1 MET CA . 25449 1 29 . 1 1 4 4 MET CB C 13 32.8 0.3 . 1 . . . A 1 MET CB . 25449 1 30 . 1 1 4 4 MET CG C 13 31.9 0.3 . 1 . . . A 1 MET CG . 25449 1 31 . 1 1 4 4 MET N N 15 121.8 0.3 . 1 . . . A 1 MET N . 25449 1 32 . 1 1 5 5 SER H H 1 8.41 0.02 . 1 . . . A 2 SER H . 25449 1 33 . 1 1 5 5 SER HA H 1 4.37 0.02 . 1 . . . A 2 SER HA . 25449 1 34 . 1 1 5 5 SER HB2 H 1 3.83 0.02 . 2 . . . A 2 SER HB2 . 25449 1 35 . 1 1 5 5 SER HB3 H 1 3.77 0.02 . 2 . . . A 2 SER HB3 . 25449 1 36 . 1 1 5 5 SER C C 13 174.2 0.3 . 1 . . . A 2 SER C . 25449 1 37 . 1 1 5 5 SER CA C 13 58.4 0.3 . 1 . . . A 2 SER CA . 25449 1 38 . 1 1 5 5 SER CB C 13 63.8 0.3 . 1 . . . A 2 SER CB . 25449 1 39 . 1 1 5 5 SER N N 15 116.7 0.3 . 1 . . . A 2 SER N . 25449 1 40 . 1 1 6 6 ASP H H 1 8.34 0.02 . 1 . . . A 3 ASP H . 25449 1 41 . 1 1 6 6 ASP HA H 1 4.55 0.02 . 1 . . . A 3 ASP HA . 25449 1 42 . 1 1 6 6 ASP HB2 H 1 2.65 0.02 . 2 . . . A 3 ASP HB2 . 25449 1 43 . 1 1 6 6 ASP HB3 H 1 2.58 0.02 . 2 . . . A 3 ASP HB3 . 25449 1 44 . 1 1 6 6 ASP C C 13 176.1 0.3 . 1 . . . A 3 ASP C . 25449 1 45 . 1 1 6 6 ASP CA C 13 54.5 0.3 . 1 . . . A 3 ASP CA . 25449 1 46 . 1 1 6 6 ASP CB C 13 41.2 0.3 . 1 . . . A 3 ASP CB . 25449 1 47 . 1 1 6 6 ASP N N 15 122.1 0.3 . 1 . . . A 3 ASP N . 25449 1 48 . 1 1 7 7 ASN H H 1 8.42 0.02 . 1 . . . A 4 ASN H . 25449 1 49 . 1 1 7 7 ASN HA H 1 4.58 0.02 . 1 . . . A 4 ASN HA . 25449 1 50 . 1 1 7 7 ASN HB2 H 1 2.69 0.02 . 1 . . . A 4 ASN HB2 . 25449 1 51 . 1 1 7 7 ASN HD21 H 1 7.48 0.02 . 1 . . . A 4 ASN HD21 . 25449 1 52 . 1 1 7 7 ASN HD22 H 1 6.86 0.02 . 1 . . . A 4 ASN HD22 . 25449 1 53 . 1 1 7 7 ASN C C 13 174.9 0.3 . 1 . . . A 4 ASN C . 25449 1 54 . 1 1 7 7 ASN CA C 13 53.7 0.3 . 1 . . . A 4 ASN CA . 25449 1 55 . 1 1 7 7 ASN CB C 13 38.9 0.3 . 1 . . . A 4 ASN CB . 25449 1 56 . 1 1 7 7 ASN N N 15 119.1 0.3 . 1 . . . A 4 ASN N . 25449 1 57 . 1 1 7 7 ASN ND2 N 15 112.6 0.3 . 1 . . . A 4 ASN ND2 . 25449 1 58 . 1 1 8 8 ASN H H 1 8.34 0.02 . 1 . . . A 5 ASN H . 25449 1 59 . 1 1 8 8 ASN HA H 1 4.54 0.02 . 1 . . . A 5 ASN HA . 25449 1 60 . 1 1 8 8 ASN HB2 H 1 2.66 0.02 . 1 . . . A 5 ASN HB2 . 25449 1 61 . 1 1 8 8 ASN HD21 H 1 7.53 0.02 . 1 . . . A 5 ASN HD21 . 25449 1 62 . 1 1 8 8 ASN HD22 H 1 7.25 0.02 . 1 . . . A 5 ASN HD22 . 25449 1 63 . 1 1 8 8 ASN C C 13 173.9 0.3 . 1 . . . A 5 ASN C . 25449 1 64 . 1 1 8 8 ASN CA C 13 53.2 0.3 . 1 . . . A 5 ASN CA . 25449 1 65 . 1 1 8 8 ASN CB C 13 38.7 0.3 . 1 . . . A 5 ASN CB . 25449 1 66 . 1 1 8 8 ASN N N 15 118.4 0.3 . 1 . . . A 5 ASN N . 25449 1 67 . 1 1 8 8 ASN ND2 N 15 114.6 0.3 . 1 . . . A 5 ASN ND2 . 25449 1 68 . 1 1 9 9 ALA H H 1 7.59 0.02 . 1 . . . A 6 ALA H . 25449 1 69 . 1 1 9 9 ALA HA H 1 2.74 0.02 . 1 . . . A 6 ALA HA . 25449 1 70 . 1 1 9 9 ALA HB1 H 1 1.02 0.02 . 1 . . . A 6 ALA HB1 . 25449 1 71 . 1 1 9 9 ALA HB2 H 1 1.02 0.02 . 1 . . . A 6 ALA HB2 . 25449 1 72 . 1 1 9 9 ALA HB3 H 1 1.02 0.02 . 1 . . . A 6 ALA HB3 . 25449 1 73 . 1 1 9 9 ALA C C 13 177 0.3 . 1 . . . A 6 ALA C . 25449 1 74 . 1 1 9 9 ALA CA C 13 52.3 0.3 . 1 . . . A 6 ALA CA . 25449 1 75 . 1 1 9 9 ALA CB C 13 20 0.3 . 1 . . . A 6 ALA CB . 25449 1 76 . 1 1 9 9 ALA N N 15 122.1 0.3 . 1 . . . A 6 ALA N . 25449 1 77 . 1 1 10 10 THR H H 1 6.84 0.02 . 1 . . . A 7 THR H . 25449 1 78 . 1 1 10 10 THR HA H 1 4.39 0.02 . 1 . . . A 7 THR HA . 25449 1 79 . 1 1 10 10 THR HB H 1 4.34 0.02 . 1 . . . A 7 THR HB . 25449 1 80 . 1 1 10 10 THR HG21 H 1 1.1 0.02 . 1 . . . A 7 THR HG21 . 25449 1 81 . 1 1 10 10 THR HG22 H 1 1.1 0.02 . 1 . . . A 7 THR HG22 . 25449 1 82 . 1 1 10 10 THR HG23 H 1 1.1 0.02 . 1 . . . A 7 THR HG23 . 25449 1 83 . 1 1 10 10 THR C C 13 171.7 0.3 . 1 . . . A 7 THR C . 25449 1 84 . 1 1 10 10 THR CA C 13 59.8 0.3 . 1 . . . A 7 THR CA . 25449 1 85 . 1 1 10 10 THR CB C 13 70.6 0.3 . 1 . . . A 7 THR CB . 25449 1 86 . 1 1 10 10 THR CG2 C 13 21.5 0.3 . 1 . . . A 7 THR CG2 . 25449 1 87 . 1 1 10 10 THR N N 15 112.7 0.3 . 1 . . . A 7 THR N . 25449 1 88 . 1 1 11 11 ASP H H 1 8.17 0.02 . 1 . . . A 8 ASP H . 25449 1 89 . 1 1 11 11 ASP HA H 1 4.49 0.02 . 1 . . . A 8 ASP HA . 25449 1 90 . 1 1 11 11 ASP HB2 H 1 3.39 0.02 . 2 . . . A 8 ASP HB2 . 25449 1 91 . 1 1 11 11 ASP HB3 H 1 2.38 0.02 . 2 . . . A 8 ASP HB3 . 25449 1 92 . 1 1 11 11 ASP C C 13 174.3 0.3 . 1 . . . A 8 ASP C . 25449 1 93 . 1 1 11 11 ASP CA C 13 53.5 0.3 . 1 . . . A 8 ASP CA . 25449 1 94 . 1 1 11 11 ASP CB C 13 39.8 0.3 . 1 . . . A 8 ASP CB . 25449 1 95 . 1 1 11 11 ASP N N 15 114.6 0.3 . 1 . . . A 8 ASP N . 25449 1 96 . 1 1 12 12 ILE H H 1 7.89 0.02 . 1 . . . A 9 ILE H . 25449 1 97 . 1 1 12 12 ILE HA H 1 4.81 0.02 . 1 . . . A 9 ILE HA . 25449 1 98 . 1 1 12 12 ILE HB H 1 1.77 0.02 . 1 . . . A 9 ILE HB . 25449 1 99 . 1 1 12 12 ILE HG12 H 1 1.76 0.02 . 2 . . . A 9 ILE HG12 . 25449 1 100 . 1 1 12 12 ILE HG13 H 1 0.76 0.02 . 2 . . . A 9 ILE HG13 . 25449 1 101 . 1 1 12 12 ILE HG21 H 1 0.89 0.02 . 1 . . . A 9 ILE HG21 . 25449 1 102 . 1 1 12 12 ILE HG22 H 1 0.89 0.02 . 1 . . . A 9 ILE HG22 . 25449 1 103 . 1 1 12 12 ILE HG23 H 1 0.89 0.02 . 1 . . . A 9 ILE HG23 . 25449 1 104 . 1 1 12 12 ILE HD11 H 1 0.71 0.02 . 1 . . . A 9 ILE HD11 . 25449 1 105 . 1 1 12 12 ILE HD12 H 1 0.71 0.02 . 1 . . . A 9 ILE HD12 . 25449 1 106 . 1 1 12 12 ILE HD13 H 1 0.71 0.02 . 1 . . . A 9 ILE HD13 . 25449 1 107 . 1 1 12 12 ILE C C 13 174.7 0.3 . 1 . . . A 9 ILE C . 25449 1 108 . 1 1 12 12 ILE CA C 13 60.6 0.3 . 1 . . . A 9 ILE CA . 25449 1 109 . 1 1 12 12 ILE CB C 13 40.3 0.3 . 1 . . . A 9 ILE CB . 25449 1 110 . 1 1 12 12 ILE CG1 C 13 27.8 0.3 . 1 . . . A 9 ILE CG1 . 25449 1 111 . 1 1 12 12 ILE CG2 C 13 17.7 0.3 . 1 . . . A 9 ILE CG2 . 25449 1 112 . 1 1 12 12 ILE CD1 C 13 13.8 0.3 . 1 . . . A 9 ILE CD1 . 25449 1 113 . 1 1 12 12 ILE N N 15 117.8 0.3 . 1 . . . A 9 ILE N . 25449 1 114 . 1 1 13 13 LEU H H 1 9.37 0.02 . 1 . . . A 10 LEU H . 25449 1 115 . 1 1 13 13 LEU HA H 1 4.96 0.02 . 1 . . . A 10 LEU HA . 25449 1 116 . 1 1 13 13 LEU HB2 H 1 1.63 0.02 . 2 . . . A 10 LEU HB2 . 25449 1 117 . 1 1 13 13 LEU HB3 H 1 1.05 0.02 . 2 . . . A 10 LEU HB3 . 25449 1 118 . 1 1 13 13 LEU HG H 1 0.88 0.02 . 1 . . . A 10 LEU HG . 25449 1 119 . 1 1 13 13 LEU HD11 H 1 0.92 0.02 . 1 . . . A 10 LEU HD11 . 25449 1 120 . 1 1 13 13 LEU HD12 H 1 0.92 0.02 . 1 . . . A 10 LEU HD12 . 25449 1 121 . 1 1 13 13 LEU HD13 H 1 0.92 0.02 . 1 . . . A 10 LEU HD13 . 25449 1 122 . 1 1 13 13 LEU HD21 H 1 0.62 0.02 . 1 . . . A 10 LEU HD21 . 25449 1 123 . 1 1 13 13 LEU HD22 H 1 0.62 0.02 . 1 . . . A 10 LEU HD22 . 25449 1 124 . 1 1 13 13 LEU HD23 H 1 0.62 0.02 . 1 . . . A 10 LEU HD23 . 25449 1 125 . 1 1 13 13 LEU C C 13 176.1 0.3 . 1 . . . A 10 LEU C . 25449 1 126 . 1 1 13 13 LEU CA C 13 52.9 0.3 . 1 . . . A 10 LEU CA . 25449 1 127 . 1 1 13 13 LEU CB C 13 43.1 0.3 . 1 . . . A 10 LEU CB . 25449 1 128 . 1 1 13 13 LEU CG C 13 26.6 0.3 . 1 . . . A 10 LEU CG . 25449 1 129 . 1 1 13 13 LEU CD1 C 13 23.7 0.3 . 1 . . . A 10 LEU CD1 . 25449 1 130 . 1 1 13 13 LEU CD2 C 13 23.7 0.3 . 1 . . . A 10 LEU CD2 . 25449 1 131 . 1 1 13 13 LEU N N 15 125.3 0.3 . 1 . . . A 10 LEU N . 25449 1 132 . 1 1 14 14 PHE H H 1 9.31 0.02 . 1 . . . A 11 PHE H . 25449 1 133 . 1 1 14 14 PHE HA H 1 4.67 0.02 . 1 . . . A 11 PHE HA . 25449 1 134 . 1 1 14 14 PHE HB3 H 1 2.8 0.02 . 1 . . . A 11 PHE HB3 . 25449 1 135 . 1 1 14 14 PHE HD2 H 1 6.83 0.02 . 1 . . . A 11 PHE HD2 . 25449 1 136 . 1 1 14 14 PHE HE2 H 1 6.85 0.02 . 1 . . . A 11 PHE HE2 . 25449 1 137 . 1 1 14 14 PHE C C 13 173.4 0.3 . 1 . . . A 11 PHE C . 25449 1 138 . 1 1 14 14 PHE CA C 13 57 0.3 . 1 . . . A 11 PHE CA . 25449 1 139 . 1 1 14 14 PHE CB C 13 40.7 0.3 . 1 . . . A 11 PHE CB . 25449 1 140 . 1 1 14 14 PHE CD1 C 13 131.8 0.3 . 1 . . . A 11 PHE CD1 . 25449 1 141 . 1 1 14 14 PHE CE2 C 13 132.1 0.3 . 1 . . . A 11 PHE CE2 . 25449 1 142 . 1 1 14 14 PHE N N 15 124.3 0.3 . 1 . . . A 11 PHE N . 25449 1 143 . 1 1 15 15 VAL H H 1 8.38 0.02 . 1 . . . A 12 VAL H . 25449 1 144 . 1 1 15 15 VAL HA H 1 4.42 0.02 . 1 . . . A 12 VAL HA . 25449 1 145 . 1 1 15 15 VAL HB H 1 1.49 0.02 . 1 . . . A 12 VAL HB . 25449 1 146 . 1 1 15 15 VAL HG11 H 1 0.63 0.02 . 1 . . . A 12 VAL HG11 . 25449 1 147 . 1 1 15 15 VAL HG12 H 1 0.63 0.02 . 1 . . . A 12 VAL HG12 . 25449 1 148 . 1 1 15 15 VAL HG13 H 1 0.63 0.02 . 1 . . . A 12 VAL HG13 . 25449 1 149 . 1 1 15 15 VAL HG21 H 1 0.39 0.02 . 1 . . . A 12 VAL HG21 . 25449 1 150 . 1 1 15 15 VAL HG22 H 1 0.39 0.02 . 1 . . . A 12 VAL HG22 . 25449 1 151 . 1 1 15 15 VAL HG23 H 1 0.39 0.02 . 1 . . . A 12 VAL HG23 . 25449 1 152 . 1 1 15 15 VAL C C 13 173.9 0.3 . 1 . . . A 12 VAL C . 25449 1 153 . 1 1 15 15 VAL CA C 13 60.2 0.3 . 1 . . . A 12 VAL CA . 25449 1 154 . 1 1 15 15 VAL CB C 13 33.1 0.3 . 1 . . . A 12 VAL CB . 25449 1 155 . 1 1 15 15 VAL CG1 C 13 21.5 0.3 . 1 . . . A 12 VAL CG1 . 25449 1 156 . 1 1 15 15 VAL CG2 C 13 20.8 0.3 . 1 . . . A 12 VAL CG2 . 25449 1 157 . 1 1 15 15 VAL N N 15 128.3 0.3 . 1 . . . A 12 VAL N . 25449 1 158 . 1 1 16 16 GLY H H 1 9.15 0.02 . 1 . . . A 13 GLY H . 25449 1 159 . 1 1 16 16 GLY HA2 H 1 3.75 0.02 . 2 . . . A 13 GLY HA2 . 25449 1 160 . 1 1 16 16 GLY HA3 H 1 3.52 0.02 . 2 . . . A 13 GLY HA3 . 25449 1 161 . 1 1 16 16 GLY C C 13 173.8 0.3 . 1 . . . A 13 GLY C . 25449 1 162 . 1 1 16 16 GLY CA C 13 43.4 0.3 . 1 . . . A 13 GLY CA . 25449 1 163 . 1 1 16 16 GLY N N 15 111.8 0.3 . 1 . . . A 13 GLY N . 25449 1 164 . 1 1 17 17 GLY H H 1 8.26 0.02 . 1 . . . A 14 GLY H . 25449 1 165 . 1 1 17 17 GLY HA2 H 1 3.78 0.02 . 2 . . . A 14 GLY HA2 . 25449 1 166 . 1 1 17 17 GLY HA3 H 1 4.31 0.02 . 2 . . . A 14 GLY HA3 . 25449 1 167 . 1 1 17 17 GLY C C 13 175.4 0.3 . 1 . . . A 14 GLY C . 25449 1 168 . 1 1 17 17 GLY CA C 13 45.8 0.3 . 1 . . . A 14 GLY CA . 25449 1 169 . 1 1 17 17 GLY N N 15 107.6 0.3 . 1 . . . A 14 GLY N . 25449 1 170 . 1 1 18 18 ILE H H 1 6.93 0.02 . 1 . . . A 15 ILE H . 25449 1 171 . 1 1 18 18 ILE HA H 1 4.04 0.02 . 1 . . . A 15 ILE HA . 25449 1 172 . 1 1 18 18 ILE HG13 H 1 1.22 0.02 . 1 . . . A 15 ILE HG13 . 25449 1 173 . 1 1 18 18 ILE HG21 H 1 0.62 0.02 . 1 . . . A 15 ILE HG21 . 25449 1 174 . 1 1 18 18 ILE HG22 H 1 0.62 0.02 . 1 . . . A 15 ILE HG22 . 25449 1 175 . 1 1 18 18 ILE HG23 H 1 0.62 0.02 . 1 . . . A 15 ILE HG23 . 25449 1 176 . 1 1 18 18 ILE HD11 H 1 0.34 0.02 . 1 . . . A 15 ILE HD11 . 25449 1 177 . 1 1 18 18 ILE HD12 H 1 0.34 0.02 . 1 . . . A 15 ILE HD12 . 25449 1 178 . 1 1 18 18 ILE HD13 H 1 0.34 0.02 . 1 . . . A 15 ILE HD13 . 25449 1 179 . 1 1 18 18 ILE C C 13 175.5 0.3 . 1 . . . A 15 ILE C . 25449 1 180 . 1 1 18 18 ILE CA C 13 60.5 0.3 . 1 . . . A 15 ILE CA . 25449 1 181 . 1 1 18 18 ILE CB C 13 38.5 0.3 . 1 . . . A 15 ILE CB . 25449 1 182 . 1 1 18 18 ILE CG1 C 13 25.1 0.3 . 1 . . . A 15 ILE CG1 . 25449 1 183 . 1 1 18 18 ILE CG2 C 13 18.4 0.3 . 1 . . . A 15 ILE CG2 . 25449 1 184 . 1 1 18 18 ILE CD1 C 13 13.5 0.3 . 1 . . . A 15 ILE CD1 . 25449 1 185 . 1 1 18 18 ILE N N 15 111.1 0.3 . 1 . . . A 15 ILE N . 25449 1 186 . 1 1 19 19 ASP H H 1 8.32 0.02 . 1 . . . A 16 ASP H . 25449 1 187 . 1 1 19 19 ASP HA H 1 4.58 0.02 . 1 . . . A 16 ASP HA . 25449 1 188 . 1 1 19 19 ASP HB2 H 1 2.99 0.02 . 2 . . . A 16 ASP HB2 . 25449 1 189 . 1 1 19 19 ASP HB3 H 1 2.48 0.02 . 2 . . . A 16 ASP HB3 . 25449 1 190 . 1 1 19 19 ASP C C 13 177.2 0.3 . 1 . . . A 16 ASP C . 25449 1 191 . 1 1 19 19 ASP CA C 13 53.7 0.3 . 1 . . . A 16 ASP CA . 25449 1 192 . 1 1 19 19 ASP CB C 13 42.5 0.3 . 1 . . . A 16 ASP CB . 25449 1 193 . 1 1 19 19 ASP N N 15 122.8 0.3 . 1 . . . A 16 ASP N . 25449 1 194 . 1 1 20 20 GLU H H 1 8.83 0.02 . 1 . . . A 17 GLU H . 25449 1 195 . 1 1 20 20 GLU HA H 1 4.14 0.02 . 1 . . . A 17 GLU HA . 25449 1 196 . 1 1 20 20 GLU HB2 H 1 2.03 0.02 . 1 . . . A 17 GLU HB2 . 25449 1 197 . 1 1 20 20 GLU HG2 H 1 2.26 0.02 . 2 . . . A 17 GLU HG2 . 25449 1 198 . 1 1 20 20 GLU HG3 H 1 2.17 0.02 . 2 . . . A 17 GLU HG3 . 25449 1 199 . 1 1 20 20 GLU C C 13 176.8 0.3 . 1 . . . A 17 GLU C . 25449 1 200 . 1 1 20 20 GLU CA C 13 58.6 0.3 . 1 . . . A 17 GLU CA . 25449 1 201 . 1 1 20 20 GLU CB C 13 29.8 0.3 . 1 . . . A 17 GLU CB . 25449 1 202 . 1 1 20 20 GLU CG C 13 36 0.3 . 1 . . . A 17 GLU CG . 25449 1 203 . 1 1 20 20 GLU N N 15 119.6 0.3 . 1 . . . A 17 GLU N . 25449 1 204 . 1 1 21 21 THR H H 1 8.74 0.02 . 1 . . . A 18 THR H . 25449 1 205 . 1 1 21 21 THR HA H 1 4.25 0.02 . 1 . . . A 18 THR HA . 25449 1 206 . 1 1 21 21 THR HB H 1 4.24 0.02 . 1 . . . A 18 THR HB . 25449 1 207 . 1 1 21 21 THR HG21 H 1 1.16 0.02 . 1 . . . A 18 THR HG21 . 25449 1 208 . 1 1 21 21 THR HG22 H 1 1.16 0.02 . 1 . . . A 18 THR HG22 . 25449 1 209 . 1 1 21 21 THR HG23 H 1 1.16 0.02 . 1 . . . A 18 THR HG23 . 25449 1 210 . 1 1 21 21 THR C C 13 175.2 0.3 . 1 . . . A 18 THR C . 25449 1 211 . 1 1 21 21 THR CA C 13 62.6 0.3 . 1 . . . A 18 THR CA . 25449 1 212 . 1 1 21 21 THR CB C 13 69.6 0.3 . 1 . . . A 18 THR CB . 25449 1 213 . 1 1 21 21 THR CG2 C 13 21.8 0.3 . 1 . . . A 18 THR CG2 . 25449 1 214 . 1 1 21 21 THR N N 15 111.3 0.3 . 1 . . . A 18 THR N . 25449 1 215 . 1 1 22 22 ILE H H 1 7.22 0.02 . 1 . . . A 19 ILE H . 25449 1 216 . 1 1 22 22 ILE HA H 1 3.88 0.02 . 1 . . . A 19 ILE HA . 25449 1 217 . 1 1 22 22 ILE HB H 1 1.91 0.02 . 1 . . . A 19 ILE HB . 25449 1 218 . 1 1 22 22 ILE HG13 H 1 0.83 0.02 . 1 . . . A 19 ILE HG13 . 25449 1 219 . 1 1 22 22 ILE HG21 H 1 0.75 0.02 . 1 . . . A 19 ILE HG21 . 25449 1 220 . 1 1 22 22 ILE HG22 H 1 0.75 0.02 . 1 . . . A 19 ILE HG22 . 25449 1 221 . 1 1 22 22 ILE HG23 H 1 0.75 0.02 . 1 . . . A 19 ILE HG23 . 25449 1 222 . 1 1 22 22 ILE HD11 H 1 0.63 0.02 . 1 . . . A 19 ILE HD11 . 25449 1 223 . 1 1 22 22 ILE HD12 H 1 0.63 0.02 . 1 . . . A 19 ILE HD12 . 25449 1 224 . 1 1 22 22 ILE HD13 H 1 0.63 0.02 . 1 . . . A 19 ILE HD13 . 25449 1 225 . 1 1 22 22 ILE C C 13 174.3 0.3 . 1 . . . A 19 ILE C . 25449 1 226 . 1 1 22 22 ILE CA C 13 59.9 0.3 . 1 . . . A 19 ILE CA . 25449 1 227 . 1 1 22 22 ILE CB C 13 35.6 0.3 . 1 . . . A 19 ILE CB . 25449 1 228 . 1 1 22 22 ILE CG1 C 13 25.5 0.3 . 1 . . . A 19 ILE CG1 . 25449 1 229 . 1 1 22 22 ILE CG2 C 13 18.3 0.3 . 1 . . . A 19 ILE CG2 . 25449 1 230 . 1 1 22 22 ILE CD1 C 13 9.7 0.3 . 1 . . . A 19 ILE CD1 . 25449 1 231 . 1 1 22 22 ILE N N 15 123.3 0.3 . 1 . . . A 19 ILE N . 25449 1 232 . 1 1 23 23 ASP H H 1 7.79 0.02 . 1 . . . A 20 ASP H . 25449 1 233 . 1 1 23 23 ASP HA H 1 4.64 0.02 . 1 . . . A 20 ASP HA . 25449 1 234 . 1 1 23 23 ASP HB2 H 1 3.09 0.02 . 2 . . . A 20 ASP HB2 . 25449 1 235 . 1 1 23 23 ASP HB3 H 1 2.66 0.02 . 2 . . . A 20 ASP HB3 . 25449 1 236 . 1 1 23 23 ASP C C 13 175.3 0.3 . 1 . . . A 20 ASP C . 25449 1 237 . 1 1 23 23 ASP CA C 13 51.5 0.3 . 1 . . . A 20 ASP CA . 25449 1 238 . 1 1 23 23 ASP CB C 13 43 0.3 . 1 . . . A 20 ASP CB . 25449 1 239 . 1 1 23 23 ASP N N 15 125.6 0.3 . 1 . . . A 20 ASP N . 25449 1 240 . 1 1 24 24 GLU H H 1 9.22 0.02 . 1 . . . A 21 GLU H . 25449 1 241 . 1 1 24 24 GLU HA H 1 3.63 0.02 . 1 . . . A 21 GLU HA . 25449 1 242 . 1 1 24 24 GLU HB2 H 1 2 0.02 . 2 . . . A 21 GLU HB2 . 25449 1 243 . 1 1 24 24 GLU HB3 H 1 1.9 0.02 . 2 . . . A 21 GLU HB3 . 25449 1 244 . 1 1 24 24 GLU HG2 H 1 2.27 0.02 . 2 . . . A 21 GLU HG2 . 25449 1 245 . 1 1 24 24 GLU HG3 H 1 2.12 0.02 . 2 . . . A 21 GLU HG3 . 25449 1 246 . 1 1 24 24 GLU C C 13 177.9 0.3 . 1 . . . A 21 GLU C . 25449 1 247 . 1 1 24 24 GLU CA C 13 60.9 0.3 . 1 . . . A 21 GLU CA . 25449 1 248 . 1 1 24 24 GLU CB C 13 29.2 0.3 . 1 . . . A 21 GLU CB . 25449 1 249 . 1 1 24 24 GLU CG C 13 36.6 0.3 . 1 . . . A 21 GLU CG . 25449 1 250 . 1 1 24 24 GLU N N 15 118.4 0.3 . 1 . . . A 21 GLU N . 25449 1 251 . 1 1 25 25 LYS H H 1 8.04 0.02 . 1 . . . A 22 LYS H . 25449 1 252 . 1 1 25 25 LYS HA H 1 4.06 0.02 . 1 . . . A 22 LYS HA . 25449 1 253 . 1 1 25 25 LYS HB3 H 1 1.86 0.02 . 1 . . . A 22 LYS HB3 . 25449 1 254 . 1 1 25 25 LYS HG2 H 1 1.39 0.02 . 1 . . . A 22 LYS HG2 . 25449 1 255 . 1 1 25 25 LYS HD2 H 1 1.57 0.02 . 1 . . . A 22 LYS HD2 . 25449 1 256 . 1 1 25 25 LYS HE2 H 1 2.87 0.02 . 1 . . . A 22 LYS HE2 . 25449 1 257 . 1 1 25 25 LYS C C 13 178.5 0.3 . 1 . . . A 22 LYS C . 25449 1 258 . 1 1 25 25 LYS CA C 13 59.3 0.3 . 1 . . . A 22 LYS CA . 25449 1 259 . 1 1 25 25 LYS CB C 13 31.8 0.3 . 1 . . . A 22 LYS CB . 25449 1 260 . 1 1 25 25 LYS CG C 13 24.7 0.3 . 1 . . . A 22 LYS CG . 25449 1 261 . 1 1 25 25 LYS CD C 13 28.5 0.3 . 1 . . . A 22 LYS CD . 25449 1 262 . 1 1 25 25 LYS CE C 13 42.2 0.3 . 1 . . . A 22 LYS CE . 25449 1 263 . 1 1 25 25 LYS N N 15 119.7 0.3 . 1 . . . A 22 LYS N . 25449 1 264 . 1 1 26 26 SER H H 1 8.24 0.02 . 1 . . . A 23 SER H . 25449 1 265 . 1 1 26 26 SER HA H 1 4.3 0.02 . 1 . . . A 23 SER HA . 25449 1 266 . 1 1 26 26 SER HB2 H 1 4.07 0.02 . 2 . . . A 23 SER HB2 . 25449 1 267 . 1 1 26 26 SER HB3 H 1 3.91 0.02 . 2 . . . A 23 SER HB3 . 25449 1 268 . 1 1 26 26 SER C C 13 177.6 0.3 . 1 . . . A 23 SER C . 25449 1 269 . 1 1 26 26 SER CA C 13 61.8 0.3 . 1 . . . A 23 SER CA . 25449 1 270 . 1 1 26 26 SER CB C 13 62.9 0.3 . 1 . . . A 23 SER CB . 25449 1 271 . 1 1 26 26 SER N N 15 114.9 0.3 . 1 . . . A 23 SER N . 25449 1 272 . 1 1 27 27 LEU H H 1 7.75 0.02 . 1 . . . A 24 LEU H . 25449 1 273 . 1 1 27 27 LEU HA H 1 4.18 0.02 . 1 . . . A 24 LEU HA . 25449 1 274 . 1 1 27 27 LEU HB2 H 1 1.82 0.02 . 2 . . . A 24 LEU HB2 . 25449 1 275 . 1 1 27 27 LEU HB3 H 1 1.15 0.02 . 2 . . . A 24 LEU HB3 . 25449 1 276 . 1 1 27 27 LEU HG H 1 1.11 0.02 . 1 . . . A 24 LEU HG . 25449 1 277 . 1 1 27 27 LEU HD11 H 1 0.41 0.02 . 1 . . . A 24 LEU HD11 . 25449 1 278 . 1 1 27 27 LEU HD12 H 1 0.41 0.02 . 1 . . . A 24 LEU HD12 . 25449 1 279 . 1 1 27 27 LEU HD13 H 1 0.41 0.02 . 1 . . . A 24 LEU HD13 . 25449 1 280 . 1 1 27 27 LEU HD21 H 1 0.6 0.02 . 1 . . . A 24 LEU HD21 . 25449 1 281 . 1 1 27 27 LEU HD22 H 1 0.6 0.02 . 1 . . . A 24 LEU HD22 . 25449 1 282 . 1 1 27 27 LEU HD23 H 1 0.6 0.02 . 1 . . . A 24 LEU HD23 . 25449 1 283 . 1 1 27 27 LEU C C 13 178.7 0.3 . 1 . . . A 24 LEU C . 25449 1 284 . 1 1 27 27 LEU CA C 13 57.3 0.3 . 1 . . . A 24 LEU CA . 25449 1 285 . 1 1 27 27 LEU CB C 13 42.1 0.3 . 1 . . . A 24 LEU CB . 25449 1 286 . 1 1 27 27 LEU CG C 13 27 0.3 . 1 . . . A 24 LEU CG . 25449 1 287 . 1 1 27 27 LEU CD1 C 13 26.4 0.3 . 1 . . . A 24 LEU CD1 . 25449 1 288 . 1 1 27 27 LEU CD2 C 13 23.4 0.3 . 1 . . . A 24 LEU CD2 . 25449 1 289 . 1 1 27 27 LEU N N 15 118.8 0.3 . 1 . . . A 24 LEU N . 25449 1 290 . 1 1 28 28 TYR H H 1 8.97 0.02 . 1 . . . A 25 TYR H . 25449 1 291 . 1 1 28 28 TYR HA H 1 3.63 0.02 . 1 . . . A 25 TYR HA . 25449 1 292 . 1 1 28 28 TYR HB2 H 1 3.22 0.02 . 2 . . . A 25 TYR HB2 . 25449 1 293 . 1 1 28 28 TYR HB3 H 1 3.07 0.02 . 2 . . . A 25 TYR HB3 . 25449 1 294 . 1 1 28 28 TYR HD2 H 1 7.04 0.02 . 1 . . . A 25 TYR HD2 . 25449 1 295 . 1 1 28 28 TYR HE2 H 1 6.76 0.02 . 1 . . . A 25 TYR HE2 . 25449 1 296 . 1 1 28 28 TYR C C 13 178.6 0.3 . 1 . . . A 25 TYR C . 25449 1 297 . 1 1 28 28 TYR CA C 13 63.2 0.3 . 1 . . . A 25 TYR CA . 25449 1 298 . 1 1 28 28 TYR CB C 13 38.2 0.3 . 1 . . . A 25 TYR CB . 25449 1 299 . 1 1 28 28 TYR CD1 C 13 133.1 0.3 . 1 . . . A 25 TYR CD1 . 25449 1 300 . 1 1 28 28 TYR CE2 C 13 118.8 0.3 . 1 . . . A 25 TYR CE2 . 25449 1 301 . 1 1 28 28 TYR N N 15 123.2 0.3 . 1 . . . A 25 TYR N . 25449 1 302 . 1 1 29 29 ASP H H 1 8.51 0.02 . 1 . . . A 26 ASP H . 25449 1 303 . 1 1 29 29 ASP HA H 1 4.27 0.02 . 1 . . . A 26 ASP HA . 25449 1 304 . 1 1 29 29 ASP HB2 H 1 2.77 0.02 . 2 . . . A 26 ASP HB2 . 25449 1 305 . 1 1 29 29 ASP HB3 H 1 2.63 0.02 . 2 . . . A 26 ASP HB3 . 25449 1 306 . 1 1 29 29 ASP C C 13 177.9 0.3 . 1 . . . A 26 ASP C . 25449 1 307 . 1 1 29 29 ASP CA C 13 57.7 0.3 . 1 . . . A 26 ASP CA . 25449 1 308 . 1 1 29 29 ASP CB C 13 40 0.3 . 1 . . . A 26 ASP CB . 25449 1 309 . 1 1 29 29 ASP N N 15 119.8 0.3 . 1 . . . A 26 ASP N . 25449 1 310 . 1 1 30 30 ILE H H 1 7.32 0.02 . 1 . . . A 27 ILE H . 25449 1 311 . 1 1 30 30 ILE HA H 1 3.96 0.02 . 1 . . . A 27 ILE HA . 25449 1 312 . 1 1 30 30 ILE HB H 1 1.58 0.02 . 1 . . . A 27 ILE HB . 25449 1 313 . 1 1 30 30 ILE HG13 H 1 1.11 0.02 . 1 . . . A 27 ILE HG13 . 25449 1 314 . 1 1 30 30 ILE HG21 H 1 0.45 0.02 . 1 . . . A 27 ILE HG21 . 25449 1 315 . 1 1 30 30 ILE HG22 H 1 0.45 0.02 . 1 . . . A 27 ILE HG22 . 25449 1 316 . 1 1 30 30 ILE HG23 H 1 0.45 0.02 . 1 . . . A 27 ILE HG23 . 25449 1 317 . 1 1 30 30 ILE HD11 H 1 0.68 0.02 . 1 . . . A 27 ILE HD11 . 25449 1 318 . 1 1 30 30 ILE HD12 H 1 0.68 0.02 . 1 . . . A 27 ILE HD12 . 25449 1 319 . 1 1 30 30 ILE HD13 H 1 0.68 0.02 . 1 . . . A 27 ILE HD13 . 25449 1 320 . 1 1 30 30 ILE C C 13 177.7 0.3 . 1 . . . A 27 ILE C . 25449 1 321 . 1 1 30 30 ILE CA C 13 63.3 0.3 . 1 . . . A 27 ILE CA . 25449 1 322 . 1 1 30 30 ILE CB C 13 39 0.3 . 1 . . . A 27 ILE CB . 25449 1 323 . 1 1 30 30 ILE CG1 C 13 27.6 0.3 . 1 . . . A 27 ILE CG1 . 25449 1 324 . 1 1 30 30 ILE CG2 C 13 17.3 0.3 . 1 . . . A 27 ILE CG2 . 25449 1 325 . 1 1 30 30 ILE CD1 C 13 13.9 0.3 . 1 . . . A 27 ILE CD1 . 25449 1 326 . 1 1 30 30 ILE N N 15 114.7 0.3 . 1 . . . A 27 ILE N . 25449 1 327 . 1 1 31 31 PHE H H 1 8.65 0.02 . 1 . . . A 28 PHE H . 25449 1 328 . 1 1 31 31 PHE HA H 1 4.37 0.02 . 1 . . . A 28 PHE HA . 25449 1 329 . 1 1 31 31 PHE HB2 H 1 3.36 0.02 . 2 . . . A 28 PHE HB2 . 25449 1 330 . 1 1 31 31 PHE HB3 H 1 2.65 0.02 . 2 . . . A 28 PHE HB3 . 25449 1 331 . 1 1 31 31 PHE HD2 H 1 6.77 0.02 . 1 . . . A 28 PHE HD2 . 25449 1 332 . 1 1 31 31 PHE HE2 H 1 7.77 0.02 . 1 . . . A 28 PHE HE2 . 25449 1 333 . 1 1 31 31 PHE C C 13 179.9 0.3 . 1 . . . A 28 PHE C . 25449 1 334 . 1 1 31 31 PHE CA C 13 62.3 0.3 . 1 . . . A 28 PHE CA . 25449 1 335 . 1 1 31 31 PHE CB C 13 37.3 0.3 . 1 . . . A 28 PHE CB . 25449 1 336 . 1 1 31 31 PHE CD1 C 13 129.6 0.3 . 1 . . . A 28 PHE CD1 . 25449 1 337 . 1 1 31 31 PHE CE2 C 13 132.3 0.3 . 1 . . . A 28 PHE CE2 . 25449 1 338 . 1 1 31 31 PHE N N 15 116.9 0.3 . 1 . . . A 28 PHE N . 25449 1 339 . 1 1 32 32 SER H H 1 8.88 0.02 . 1 . . . A 29 SER H . 25449 1 340 . 1 1 32 32 SER HA H 1 4.41 0.02 . 1 . . . A 29 SER HA . 25449 1 341 . 1 1 32 32 SER HB2 H 1 3.76 0.02 . 2 . . . A 29 SER HB2 . 25449 1 342 . 1 1 32 32 SER HB3 H 1 3.71 0.02 . 2 . . . A 29 SER HB3 . 25449 1 343 . 1 1 32 32 SER C C 13 175.6 0.3 . 1 . . . A 29 SER C . 25449 1 344 . 1 1 32 32 SER CA C 13 61.3 0.3 . 1 . . . A 29 SER CA . 25449 1 345 . 1 1 32 32 SER CB C 13 62.2 0.3 . 1 . . . A 29 SER CB . 25449 1 346 . 1 1 32 32 SER N N 15 120.1 0.3 . 1 . . . A 29 SER N . 25449 1 347 . 1 1 33 33 SER H H 1 7.27 0.02 . 1 . . . A 30 SER H . 25449 1 348 . 1 1 33 33 SER HA H 1 3.94 0.02 . 1 . . . A 30 SER HA . 25449 1 349 . 1 1 33 33 SER HB2 H 1 3.3 0.02 . 2 . . . A 30 SER HB2 . 25449 1 350 . 1 1 33 33 SER HB3 H 1 3.16 0.02 . 2 . . . A 30 SER HB3 . 25449 1 351 . 1 1 33 33 SER C C 13 174.9 0.3 . 1 . . . A 30 SER C . 25449 1 352 . 1 1 33 33 SER CA C 13 60.4 0.3 . 1 . . . A 30 SER CA . 25449 1 353 . 1 1 33 33 SER CB C 13 62.4 0.3 . 1 . . . A 30 SER CB . 25449 1 354 . 1 1 33 33 SER N N 15 116.2 0.3 . 1 . . . A 30 SER N . 25449 1 355 . 1 1 34 34 PHE H H 1 6.98 0.02 . 1 . . . A 31 PHE H . 25449 1 356 . 1 1 34 34 PHE HA H 1 4.28 0.02 . 1 . . . A 31 PHE HA . 25449 1 357 . 1 1 34 34 PHE HB2 H 1 3.26 0.02 . 2 . . . A 31 PHE HB2 . 25449 1 358 . 1 1 34 34 PHE HB3 H 1 2.66 0.02 . 2 . . . A 31 PHE HB3 . 25449 1 359 . 1 1 34 34 PHE C C 13 174.1 0.3 . 1 . . . A 31 PHE C . 25449 1 360 . 1 1 34 34 PHE CA C 13 58.9 0.3 . 1 . . . A 31 PHE CA . 25449 1 361 . 1 1 34 34 PHE CB C 13 39.3 0.3 . 1 . . . A 31 PHE CB . 25449 1 362 . 1 1 34 34 PHE N N 15 115.6 0.3 . 1 . . . A 31 PHE N . 25449 1 363 . 1 1 35 35 GLY H H 1 7.3 0.02 . 1 . . . A 32 GLY H . 25449 1 364 . 1 1 35 35 GLY HA2 H 1 4.74 0.02 . 2 . . . A 32 GLY HA2 . 25449 1 365 . 1 1 35 35 GLY HA3 H 1 3.73 0.02 . 2 . . . A 32 GLY HA3 . 25449 1 366 . 1 1 35 35 GLY C C 13 171.6 0.3 . 1 . . . A 32 GLY C . 25449 1 367 . 1 1 35 35 GLY CA C 13 44.3 0.3 . 1 . . . A 32 GLY CA . 25449 1 368 . 1 1 35 35 GLY N N 15 104.9 0.3 . 1 . . . A 32 GLY N . 25449 1 369 . 1 1 36 36 ASP H H 1 8.12 0.02 . 1 . . . A 33 ASP H . 25449 1 370 . 1 1 36 36 ASP HA H 1 4.51 0.02 . 1 . . . A 33 ASP HA . 25449 1 371 . 1 1 36 36 ASP HB2 H 1 2.59 0.02 . 1 . . . A 33 ASP HB2 . 25449 1 372 . 1 1 36 36 ASP C C 13 176.8 0.3 . 1 . . . A 33 ASP C . 25449 1 373 . 1 1 36 36 ASP CA C 13 55.4 0.3 . 1 . . . A 33 ASP CA . 25449 1 374 . 1 1 36 36 ASP CB C 13 40.6 0.3 . 1 . . . A 33 ASP CB . 25449 1 375 . 1 1 36 36 ASP N N 15 116.1 0.3 . 1 . . . A 33 ASP N . 25449 1 376 . 1 1 37 37 ILE H H 1 8.67 0.02 . 1 . . . A 34 ILE H . 25449 1 377 . 1 1 37 37 ILE HA H 1 3.85 0.02 . 1 . . . A 34 ILE HA . 25449 1 378 . 1 1 37 37 ILE HB H 1 1.69 0.02 . 1 . . . A 34 ILE HB . 25449 1 379 . 1 1 37 37 ILE HG12 H 1 1.36 0.02 . 2 . . . A 34 ILE HG12 . 25449 1 380 . 1 1 37 37 ILE HG13 H 1 0.3 0.02 . 2 . . . A 34 ILE HG13 . 25449 1 381 . 1 1 37 37 ILE HG21 H 1 0.54 0.02 . 1 . . . A 34 ILE HG21 . 25449 1 382 . 1 1 37 37 ILE HG22 H 1 0.54 0.02 . 1 . . . A 34 ILE HG22 . 25449 1 383 . 1 1 37 37 ILE HG23 H 1 0.54 0.02 . 1 . . . A 34 ILE HG23 . 25449 1 384 . 1 1 37 37 ILE HD11 H 1 0.14 0.02 . 1 . . . A 34 ILE HD11 . 25449 1 385 . 1 1 37 37 ILE HD12 H 1 0.14 0.02 . 1 . . . A 34 ILE HD12 . 25449 1 386 . 1 1 37 37 ILE HD13 H 1 0.14 0.02 . 1 . . . A 34 ILE HD13 . 25449 1 387 . 1 1 37 37 ILE C C 13 176.2 0.3 . 1 . . . A 34 ILE C . 25449 1 388 . 1 1 37 37 ILE CA C 13 60.2 0.3 . 1 . . . A 34 ILE CA . 25449 1 389 . 1 1 37 37 ILE CB C 13 39.9 0.3 . 1 . . . A 34 ILE CB . 25449 1 390 . 1 1 37 37 ILE CG1 C 13 27.8 0.3 . 1 . . . A 34 ILE CG1 . 25449 1 391 . 1 1 37 37 ILE CG2 C 13 17.5 0.3 . 1 . . . A 34 ILE CG2 . 25449 1 392 . 1 1 37 37 ILE CD1 C 13 12.7 0.3 . 1 . . . A 34 ILE CD1 . 25449 1 393 . 1 1 37 37 ILE N N 15 126.4 0.3 . 1 . . . A 34 ILE N . 25449 1 394 . 1 1 38 38 ARG H H 1 9.32 0.02 . 1 . . . A 35 ARG H . 25449 1 395 . 1 1 38 38 ARG HA H 1 4.16 0.02 . 1 . . . A 35 ARG HA . 25449 1 396 . 1 1 38 38 ARG HB2 H 1 1.39 0.02 . 2 . . . A 35 ARG HB2 . 25449 1 397 . 1 1 38 38 ARG HB3 H 1 1.33 0.02 . 2 . . . A 35 ARG HB3 . 25449 1 398 . 1 1 38 38 ARG HG2 H 1 1.38 0.02 . 1 . . . A 35 ARG HG2 . 25449 1 399 . 1 1 38 38 ARG HD2 H 1 3.1 0.02 . 1 . . . A 35 ARG HD2 . 25449 1 400 . 1 1 38 38 ARG C C 13 175.6 0.3 . 1 . . . A 35 ARG C . 25449 1 401 . 1 1 38 38 ARG CA C 13 57.5 0.3 . 1 . . . A 35 ARG CA . 25449 1 402 . 1 1 38 38 ARG CB C 13 31.7 0.3 . 1 . . . A 35 ARG CB . 25449 1 403 . 1 1 38 38 ARG CG C 13 27.4 0.3 . 1 . . . A 35 ARG CG . 25449 1 404 . 1 1 38 38 ARG CD C 13 43.2 0.3 . 1 . . . A 35 ARG CD . 25449 1 405 . 1 1 38 38 ARG N N 15 128.9 0.3 . 1 . . . A 35 ARG N . 25449 1 406 . 1 1 39 39 ASN H H 1 7.62 0.02 . 1 . . . A 36 ASN H . 25449 1 407 . 1 1 39 39 ASN HA H 1 4.71 0.02 . 1 . . . A 36 ASN HA . 25449 1 408 . 1 1 39 39 ASN HB2 H 1 2.67 0.02 . 2 . . . A 36 ASN HB2 . 25449 1 409 . 1 1 39 39 ASN HB3 H 1 2.37 0.02 . 2 . . . A 36 ASN HB3 . 25449 1 410 . 1 1 39 39 ASN HD21 H 1 7.62 0.02 . 1 . . . A 36 ASN HD21 . 25449 1 411 . 1 1 39 39 ASN HD22 H 1 6.95 0.02 . 1 . . . A 36 ASN HD22 . 25449 1 412 . 1 1 39 39 ASN C C 13 172 0.3 . 1 . . . A 36 ASN C . 25449 1 413 . 1 1 39 39 ASN CA C 13 53.5 0.3 . 1 . . . A 36 ASN CA . 25449 1 414 . 1 1 39 39 ASN CB C 13 42.6 0.3 . 1 . . . A 36 ASN CB . 25449 1 415 . 1 1 39 39 ASN N N 15 114.3 0.3 . 1 . . . A 36 ASN N . 25449 1 416 . 1 1 39 39 ASN ND2 N 15 113.4 0.3 . 1 . . . A 36 ASN ND2 . 25449 1 417 . 1 1 40 40 ILE H H 1 8.03 0.02 . 1 . . . A 37 ILE H . 25449 1 418 . 1 1 40 40 ILE HA H 1 4.77 0.02 . 1 . . . A 37 ILE HA . 25449 1 419 . 1 1 40 40 ILE HB H 1 1.53 0.02 . 1 . . . A 37 ILE HB . 25449 1 420 . 1 1 40 40 ILE HG13 H 1 1.56 0.02 . 1 . . . A 37 ILE HG13 . 25449 1 421 . 1 1 40 40 ILE HG21 H 1 0.71 0.02 . 1 . . . A 37 ILE HG21 . 25449 1 422 . 1 1 40 40 ILE HG22 H 1 0.71 0.02 . 1 . . . A 37 ILE HG22 . 25449 1 423 . 1 1 40 40 ILE HG23 H 1 0.71 0.02 . 1 . . . A 37 ILE HG23 . 25449 1 424 . 1 1 40 40 ILE HD11 H 1 0.68 0.02 . 1 . . . A 37 ILE HD11 . 25449 1 425 . 1 1 40 40 ILE HD12 H 1 0.68 0.02 . 1 . . . A 37 ILE HD12 . 25449 1 426 . 1 1 40 40 ILE HD13 H 1 0.68 0.02 . 1 . . . A 37 ILE HD13 . 25449 1 427 . 1 1 40 40 ILE C C 13 173.3 0.3 . 1 . . . A 37 ILE C . 25449 1 428 . 1 1 40 40 ILE CA C 13 60.6 0.3 . 1 . . . A 37 ILE CA . 25449 1 429 . 1 1 40 40 ILE CB C 13 41.2 0.3 . 1 . . . A 37 ILE CB . 25449 1 430 . 1 1 40 40 ILE CG1 C 13 28.5 0.3 . 1 . . . A 37 ILE CG1 . 25449 1 431 . 1 1 40 40 ILE CG2 C 13 17 0.3 . 1 . . . A 37 ILE CG2 . 25449 1 432 . 1 1 40 40 ILE CD1 C 13 13.7 0.3 . 1 . . . A 37 ILE CD1 . 25449 1 433 . 1 1 40 40 ILE N N 15 122.7 0.3 . 1 . . . A 37 ILE N . 25449 1 434 . 1 1 41 41 GLU H H 1 8.87 0.02 . 1 . . . A 38 GLU H . 25449 1 435 . 1 1 41 41 GLU HA H 1 4.66 0.02 . 1 . . . A 38 GLU HA . 25449 1 436 . 1 1 41 41 GLU HB2 H 1 2.06 0.02 . 2 . . . A 38 GLU HB2 . 25449 1 437 . 1 1 41 41 GLU HB3 H 1 1.88 0.02 . 2 . . . A 38 GLU HB3 . 25449 1 438 . 1 1 41 41 GLU HG2 H 1 2.18 0.02 . 2 . . . A 38 GLU HG2 . 25449 1 439 . 1 1 41 41 GLU HG3 H 1 2 0.02 . 2 . . . A 38 GLU HG3 . 25449 1 440 . 1 1 41 41 GLU C C 13 174.8 0.3 . 1 . . . A 38 GLU C . 25449 1 441 . 1 1 41 41 GLU CA C 13 54.4 0.3 . 1 . . . A 38 GLU CA . 25449 1 442 . 1 1 41 41 GLU CB C 13 33.4 0.3 . 1 . . . A 38 GLU CB . 25449 1 443 . 1 1 41 41 GLU CG C 13 35.7 0.3 . 1 . . . A 38 GLU CG . 25449 1 444 . 1 1 41 41 GLU N N 15 126.7 0.3 . 1 . . . A 38 GLU N . 25449 1 445 . 1 1 42 42 VAL H H 1 8.97 0.02 . 1 . . . A 39 VAL H . 25449 1 446 . 1 1 42 42 VAL HG21 H 1 0.55 0.02 . 1 . . . A 39 VAL HG21 . 25449 1 447 . 1 1 42 42 VAL HG22 H 1 0.55 0.02 . 1 . . . A 39 VAL HG22 . 25449 1 448 . 1 1 42 42 VAL HG23 H 1 0.55 0.02 . 1 . . . A 39 VAL HG23 . 25449 1 449 . 1 1 42 42 VAL CA C 13 58.7 0.3 . 1 . . . A 39 VAL CA . 25449 1 450 . 1 1 42 42 VAL CB C 13 32.6 0.3 . 1 . . . A 39 VAL CB . 25449 1 451 . 1 1 42 42 VAL CG2 C 13 21.3 0.3 . 1 . . . A 39 VAL CG2 . 25449 1 452 . 1 1 42 42 VAL N N 15 126.4 0.3 . 1 . . . A 39 VAL N . 25449 1 453 . 1 1 43 43 PRO HA H 1 4.23 0.02 . 1 . . . A 40 PRO HA . 25449 1 454 . 1 1 43 43 PRO HB2 H 1 2.33 0.02 . 2 . . . A 40 PRO HB2 . 25449 1 455 . 1 1 43 43 PRO HB3 H 1 1.43 0.02 . 2 . . . A 40 PRO HB3 . 25449 1 456 . 1 1 43 43 PRO HG2 H 1 1.88 0.02 . 1 . . . A 40 PRO HG2 . 25449 1 457 . 1 1 43 43 PRO HD2 H 1 3.46 0.02 . 2 . . . A 40 PRO HD2 . 25449 1 458 . 1 1 43 43 PRO HD3 H 1 3.1 0.02 . 2 . . . A 40 PRO HD3 . 25449 1 459 . 1 1 43 43 PRO C C 13 176.3 0.3 . 1 . . . A 40 PRO C . 25449 1 460 . 1 1 43 43 PRO CA C 13 63.3 0.3 . 1 . . . A 40 PRO CA . 25449 1 461 . 1 1 43 43 PRO CB C 13 32.5 0.3 . 1 . . . A 40 PRO CB . 25449 1 462 . 1 1 43 43 PRO CG C 13 27.9 0.3 . 1 . . . A 40 PRO CG . 25449 1 463 . 1 1 43 43 PRO CD C 13 50.2 0.3 . 1 . . . A 40 PRO CD . 25449 1 464 . 1 1 44 44 LEU H H 1 8.52 0.02 . 1 . . . A 41 LEU H . 25449 1 465 . 1 1 44 44 LEU HA H 1 4.52 0.02 . 1 . . . A 41 LEU HA . 25449 1 466 . 1 1 44 44 LEU HB2 H 1 1.5 0.02 . 2 . . . A 41 LEU HB2 . 25449 1 467 . 1 1 44 44 LEU HB3 H 1 0.94 0.02 . 2 . . . A 41 LEU HB3 . 25449 1 468 . 1 1 44 44 LEU HG H 1 0.94 0.02 . 1 . . . A 41 LEU HG . 25449 1 469 . 1 1 44 44 LEU HD11 H 1 0.72 0.02 . 1 . . . A 41 LEU HD11 . 25449 1 470 . 1 1 44 44 LEU HD12 H 1 0.72 0.02 . 1 . . . A 41 LEU HD12 . 25449 1 471 . 1 1 44 44 LEU HD13 H 1 0.72 0.02 . 1 . . . A 41 LEU HD13 . 25449 1 472 . 1 1 44 44 LEU HD21 H 1 0.5 0.02 . 1 . . . A 41 LEU HD21 . 25449 1 473 . 1 1 44 44 LEU HD22 H 1 0.5 0.02 . 1 . . . A 41 LEU HD22 . 25449 1 474 . 1 1 44 44 LEU HD23 H 1 0.5 0.02 . 1 . . . A 41 LEU HD23 . 25449 1 475 . 1 1 44 44 LEU C C 13 177.9 0.3 . 1 . . . A 41 LEU C . 25449 1 476 . 1 1 44 44 LEU CA C 13 53.1 0.3 . 1 . . . A 41 LEU CA . 25449 1 477 . 1 1 44 44 LEU CB C 13 44.3 0.3 . 1 . . . A 41 LEU CB . 25449 1 478 . 1 1 44 44 LEU CG C 13 25 0.3 . 1 . . . A 41 LEU CG . 25449 1 479 . 1 1 44 44 LEU CD1 C 13 25.2 0.3 . 1 . . . A 41 LEU CD1 . 25449 1 480 . 1 1 44 44 LEU CD2 C 13 22.4 0.3 . 1 . . . A 41 LEU CD2 . 25449 1 481 . 1 1 44 44 LEU N N 15 120.7 0.3 . 1 . . . A 41 LEU N . 25449 1 482 . 1 1 45 45 ASN H H 1 8.74 0.02 . 1 . . . A 42 ASN H . 25449 1 483 . 1 1 45 45 ASN HA H 1 4.56 0.02 . 1 . . . A 42 ASN HA . 25449 1 484 . 1 1 45 45 ASN HB2 H 1 3.2 0.02 . 2 . . . A 42 ASN HB2 . 25449 1 485 . 1 1 45 45 ASN HB3 H 1 2.43 0.02 . 2 . . . A 42 ASN HB3 . 25449 1 486 . 1 1 45 45 ASN HD21 H 1 7.72 0.02 . 1 . . . A 42 ASN HD21 . 25449 1 487 . 1 1 45 45 ASN HD22 H 1 7.23 0.02 . 1 . . . A 42 ASN HD22 . 25449 1 488 . 1 1 45 45 ASN C C 13 176.7 0.3 . 1 . . . A 42 ASN C . 25449 1 489 . 1 1 45 45 ASN CA C 13 52.9 0.3 . 1 . . . A 42 ASN CA . 25449 1 490 . 1 1 45 45 ASN CB C 13 39 0.3 . 1 . . . A 42 ASN CB . 25449 1 491 . 1 1 45 45 ASN N N 15 121.4 0.3 . 1 . . . A 42 ASN N . 25449 1 492 . 1 1 45 45 ASN ND2 N 15 114.7 0.3 . 1 . . . A 42 ASN ND2 . 25449 1 493 . 1 1 46 46 MET H H 1 9.08 0.02 . 1 . . . A 43 MET H . 25449 1 494 . 1 1 46 46 MET HA H 1 4.21 0.02 . 1 . . . A 43 MET HA . 25449 1 495 . 1 1 46 46 MET HB2 H 1 2.09 0.02 . 2 . . . A 43 MET HB2 . 25449 1 496 . 1 1 46 46 MET HB3 H 1 2.07 0.02 . 2 . . . A 43 MET HB3 . 25449 1 497 . 1 1 46 46 MET HG2 H 1 2.69 0.02 . 2 . . . A 43 MET HG2 . 25449 1 498 . 1 1 46 46 MET HG3 H 1 2.54 0.02 . 2 . . . A 43 MET HG3 . 25449 1 499 . 1 1 46 46 MET C C 13 177.2 0.3 . 1 . . . A 43 MET C . 25449 1 500 . 1 1 46 46 MET CA C 13 57.1 0.3 . 1 . . . A 43 MET CA . 25449 1 501 . 1 1 46 46 MET CB C 13 31.6 0.3 . 1 . . . A 43 MET CB . 25449 1 502 . 1 1 46 46 MET CG C 13 32.3 0.3 . 1 . . . A 43 MET CG . 25449 1 503 . 1 1 46 46 MET N N 15 125.5 0.3 . 1 . . . A 43 MET N . 25449 1 504 . 1 1 47 47 THR H H 1 8.59 0.02 . 1 . . . A 44 THR H . 25449 1 505 . 1 1 47 47 THR HA H 1 4.16 0.02 . 1 . . . A 44 THR HA . 25449 1 506 . 1 1 47 47 THR HB H 1 4.26 0.02 . 1 . . . A 44 THR HB . 25449 1 507 . 1 1 47 47 THR HG21 H 1 1.17 0.02 . 1 . . . A 44 THR HG21 . 25449 1 508 . 1 1 47 47 THR HG22 H 1 1.17 0.02 . 1 . . . A 44 THR HG22 . 25449 1 509 . 1 1 47 47 THR HG23 H 1 1.17 0.02 . 1 . . . A 44 THR HG23 . 25449 1 510 . 1 1 47 47 THR C C 13 175.9 0.3 . 1 . . . A 44 THR C . 25449 1 511 . 1 1 47 47 THR CA C 13 65.2 0.3 . 1 . . . A 44 THR CA . 25449 1 512 . 1 1 47 47 THR CB C 13 68.7 0.3 . 1 . . . A 44 THR CB . 25449 1 513 . 1 1 47 47 THR CG2 C 13 21.9 0.3 . 1 . . . A 44 THR CG2 . 25449 1 514 . 1 1 47 47 THR N N 15 114.4 0.3 . 1 . . . A 44 THR N . 25449 1 515 . 1 1 48 48 THR H H 1 7.61 0.02 . 1 . . . A 45 THR H . 25449 1 516 . 1 1 48 48 THR HA H 1 4.16 0.02 . 1 . . . A 45 THR HA . 25449 1 517 . 1 1 48 48 THR HB H 1 4.21 0.02 . 1 . . . A 45 THR HB . 25449 1 518 . 1 1 48 48 THR HG21 H 1 1.08 0.02 . 1 . . . A 45 THR HG21 . 25449 1 519 . 1 1 48 48 THR HG22 H 1 1.08 0.02 . 1 . . . A 45 THR HG22 . 25449 1 520 . 1 1 48 48 THR HG23 H 1 1.08 0.02 . 1 . . . A 45 THR HG23 . 25449 1 521 . 1 1 48 48 THR C C 13 175.5 0.3 . 1 . . . A 45 THR C . 25449 1 522 . 1 1 48 48 THR CA C 13 62 0.3 . 1 . . . A 45 THR CA . 25449 1 523 . 1 1 48 48 THR CB C 13 70 0.3 . 1 . . . A 45 THR CB . 25449 1 524 . 1 1 48 48 THR CG2 C 13 21.6 0.3 . 1 . . . A 45 THR CG2 . 25449 1 525 . 1 1 48 48 THR N N 15 110.3 0.3 . 1 . . . A 45 THR N . 25449 1 526 . 1 1 49 49 LYS H H 1 8.46 0.02 . 1 . . . A 46 LYS H . 25449 1 527 . 1 1 49 49 LYS HA H 1 3.72 0.02 . 1 . . . A 46 LYS HA . 25449 1 528 . 1 1 49 49 LYS HB2 H 1 2.09 0.02 . 2 . . . A 46 LYS HB2 . 25449 1 529 . 1 1 49 49 LYS HB3 H 1 1.97 0.02 . 2 . . . A 46 LYS HB3 . 25449 1 530 . 1 1 49 49 LYS HG2 H 1 1.23 0.02 . 1 . . . A 46 LYS HG2 . 25449 1 531 . 1 1 49 49 LYS HD2 H 1 1.53 0.02 . 1 . . . A 46 LYS HD2 . 25449 1 532 . 1 1 49 49 LYS HE2 H 1 2.92 0.02 . 1 . . . A 46 LYS HE2 . 25449 1 533 . 1 1 49 49 LYS C C 13 174.6 0.3 . 1 . . . A 46 LYS C . 25449 1 534 . 1 1 49 49 LYS CA C 13 57.6 0.3 . 1 . . . A 46 LYS CA . 25449 1 535 . 1 1 49 49 LYS CB C 13 28.9 0.3 . 1 . . . A 46 LYS CB . 25449 1 536 . 1 1 49 49 LYS CG C 13 25 0.3 . 1 . . . A 46 LYS CG . 25449 1 537 . 1 1 49 49 LYS CD C 13 28.6 0.3 . 1 . . . A 46 LYS CD . 25449 1 538 . 1 1 49 49 LYS CE C 13 42.2 0.3 . 1 . . . A 46 LYS CE . 25449 1 539 . 1 1 49 49 LYS N N 15 115.7 0.3 . 1 . . . A 46 LYS N . 25449 1 540 . 1 1 50 50 LYS H H 1 7.61 0.02 . 1 . . . A 47 LYS H . 25449 1 541 . 1 1 50 50 LYS HA H 1 4.68 0.02 . 1 . . . A 47 LYS HA . 25449 1 542 . 1 1 50 50 LYS HB3 H 1 1.86 0.02 . 1 . . . A 47 LYS HB3 . 25449 1 543 . 1 1 50 50 LYS HG2 H 1 1.29 0.02 . 1 . . . A 47 LYS HG2 . 25449 1 544 . 1 1 50 50 LYS HD2 H 1 1.61 0.02 . 1 . . . A 47 LYS HD2 . 25449 1 545 . 1 1 50 50 LYS HE2 H 1 2.87 0.02 . 1 . . . A 47 LYS HE2 . 25449 1 546 . 1 1 50 50 LYS C C 13 176.3 0.3 . 1 . . . A 47 LYS C . 25449 1 547 . 1 1 50 50 LYS CA C 13 54 0.3 . 1 . . . A 47 LYS CA . 25449 1 548 . 1 1 50 50 LYS CB C 13 35.1 0.3 . 1 . . . A 47 LYS CB . 25449 1 549 . 1 1 50 50 LYS CG C 13 25 0.3 . 1 . . . A 47 LYS CG . 25449 1 550 . 1 1 50 50 LYS CD C 13 28.7 0.3 . 1 . . . A 47 LYS CD . 25449 1 551 . 1 1 50 50 LYS CE C 13 42.2 0.3 . 1 . . . A 47 LYS CE . 25449 1 552 . 1 1 50 50 LYS N N 15 117.1 0.3 . 1 . . . A 47 LYS N . 25449 1 553 . 1 1 51 51 ASN H H 1 8.74 0.02 . 1 . . . A 48 ASN H . 25449 1 554 . 1 1 51 51 ASN HA H 1 4.7 0.02 . 1 . . . A 48 ASN HA . 25449 1 555 . 1 1 51 51 ASN HB2 H 1 3.25 0.02 . 2 . . . A 48 ASN HB2 . 25449 1 556 . 1 1 51 51 ASN HB3 H 1 2.46 0.02 . 2 . . . A 48 ASN HB3 . 25449 1 557 . 1 1 51 51 ASN HD21 H 1 7.36 0.02 . 1 . . . A 48 ASN HD21 . 25449 1 558 . 1 1 51 51 ASN HD22 H 1 7.27 0.02 . 1 . . . A 48 ASN HD22 . 25449 1 559 . 1 1 51 51 ASN C C 13 174 0.3 . 1 . . . A 48 ASN C . 25449 1 560 . 1 1 51 51 ASN CA C 13 53.6 0.3 . 1 . . . A 48 ASN CA . 25449 1 561 . 1 1 51 51 ASN CB C 13 37.7 0.3 . 1 . . . A 48 ASN CB . 25449 1 562 . 1 1 51 51 ASN N N 15 117.7 0.3 . 1 . . . A 48 ASN N . 25449 1 563 . 1 1 51 51 ASN ND2 N 15 116.6 0.3 . 1 . . . A 48 ASN ND2 . 25449 1 564 . 1 1 52 52 ARG H H 1 8.53 0.02 . 1 . . . A 49 ARG H . 25449 1 565 . 1 1 52 52 ARG HA H 1 4.35 0.02 . 1 . . . A 49 ARG HA . 25449 1 566 . 1 1 52 52 ARG HB2 H 1 2.28 0.02 . 2 . . . A 49 ARG HB2 . 25449 1 567 . 1 1 52 52 ARG HB3 H 1 1.22 0.02 . 2 . . . A 49 ARG HB3 . 25449 1 568 . 1 1 52 52 ARG HG2 H 1 1.47 0.02 . 2 . . . A 49 ARG HG2 . 25449 1 569 . 1 1 52 52 ARG HG3 H 1 1.4 0.02 . 2 . . . A 49 ARG HG3 . 25449 1 570 . 1 1 52 52 ARG HD2 H 1 2.97 0.02 . 2 . . . A 49 ARG HD2 . 25449 1 571 . 1 1 52 52 ARG HD3 H 1 2.88 0.02 . 2 . . . A 49 ARG HD3 . 25449 1 572 . 1 1 52 52 ARG C C 13 177.5 0.3 . 1 . . . A 49 ARG C . 25449 1 573 . 1 1 52 52 ARG CA C 13 55.6 0.3 . 1 . . . A 49 ARG CA . 25449 1 574 . 1 1 52 52 ARG CB C 13 31.6 0.3 . 1 . . . A 49 ARG CB . 25449 1 575 . 1 1 52 52 ARG CG C 13 27.5 0.3 . 1 . . . A 49 ARG CG . 25449 1 576 . 1 1 52 52 ARG CD C 13 44.1 0.3 . 1 . . . A 49 ARG CD . 25449 1 577 . 1 1 52 52 ARG N N 15 116.8 0.3 . 1 . . . A 49 ARG N . 25449 1 578 . 1 1 53 53 GLY H H 1 8.9 0.02 . 1 . . . A 50 GLY H . 25449 1 579 . 1 1 53 53 GLY HA2 H 1 4.29 0.02 . 2 . . . A 50 GLY HA2 . 25449 1 580 . 1 1 53 53 GLY HA3 H 1 3.8 0.02 . 2 . . . A 50 GLY HA3 . 25449 1 581 . 1 1 53 53 GLY C C 13 173.5 0.3 . 1 . . . A 50 GLY C . 25449 1 582 . 1 1 53 53 GLY CA C 13 45.8 0.3 . 1 . . . A 50 GLY CA . 25449 1 583 . 1 1 53 53 GLY N N 15 108.3 0.3 . 1 . . . A 50 GLY N . 25449 1 584 . 1 1 54 54 PHE H H 1 6.91 0.02 . 1 . . . A 51 PHE H . 25449 1 585 . 1 1 54 54 PHE HA H 1 5.47 0.02 . 1 . . . A 51 PHE HA . 25449 1 586 . 1 1 54 54 PHE HB2 H 1 2.87 0.02 . 2 . . . A 51 PHE HB2 . 25449 1 587 . 1 1 54 54 PHE HB3 H 1 2.46 0.02 . 2 . . . A 51 PHE HB3 . 25449 1 588 . 1 1 54 54 PHE HD1 H 1 6.62 0.02 . 1 . . . A 51 PHE HD1 . 25449 1 589 . 1 1 54 54 PHE HE1 H 1 7.23 0.02 . 1 . . . A 51 PHE HE1 . 25449 1 590 . 1 1 54 54 PHE C C 13 172 0.3 . 1 . . . A 51 PHE C . 25449 1 591 . 1 1 54 54 PHE CA C 13 55 0.3 . 1 . . . A 51 PHE CA . 25449 1 592 . 1 1 54 54 PHE CB C 13 42.7 0.3 . 1 . . . A 51 PHE CB . 25449 1 593 . 1 1 54 54 PHE CD2 C 13 132.7 0.3 . 1 . . . A 51 PHE CD2 . 25449 1 594 . 1 1 54 54 PHE CE1 C 13 131.4 0.3 . 1 . . . A 51 PHE CE1 . 25449 1 595 . 1 1 54 54 PHE N N 15 113.9 0.3 . 1 . . . A 51 PHE N . 25449 1 596 . 1 1 55 55 ALA H H 1 8.81 0.02 . 1 . . . A 52 ALA H . 25449 1 597 . 1 1 55 55 ALA HA H 1 4.63 0.02 . 1 . . . A 52 ALA HA . 25449 1 598 . 1 1 55 55 ALA HB1 H 1 0.88 0.02 . 1 . . . A 52 ALA HB1 . 25449 1 599 . 1 1 55 55 ALA HB2 H 1 0.88 0.02 . 1 . . . A 52 ALA HB2 . 25449 1 600 . 1 1 55 55 ALA HB3 H 1 0.88 0.02 . 1 . . . A 52 ALA HB3 . 25449 1 601 . 1 1 55 55 ALA C C 13 173.9 0.3 . 1 . . . A 52 ALA C . 25449 1 602 . 1 1 55 55 ALA CA C 13 50.2 0.3 . 1 . . . A 52 ALA CA . 25449 1 603 . 1 1 55 55 ALA CB C 13 25.1 0.3 . 1 . . . A 52 ALA CB . 25449 1 604 . 1 1 55 55 ALA N N 15 120.5 0.3 . 1 . . . A 52 ALA N . 25449 1 605 . 1 1 56 56 PHE H H 1 8.73 0.02 . 1 . . . A 53 PHE H . 25449 1 606 . 1 1 56 56 PHE HA H 1 5.66 0.02 . 1 . . . A 53 PHE HA . 25449 1 607 . 1 1 56 56 PHE HB2 H 1 2.84 0.02 . 2 . . . A 53 PHE HB2 . 25449 1 608 . 1 1 56 56 PHE HB3 H 1 2.78 0.02 . 2 . . . A 53 PHE HB3 . 25449 1 609 . 1 1 56 56 PHE HD2 H 1 7.13 0.02 . 1 . . . A 53 PHE HD2 . 25449 1 610 . 1 1 56 56 PHE HE2 H 1 7.46 0.02 . 1 . . . A 53 PHE HE2 . 25449 1 611 . 1 1 56 56 PHE C C 13 175.6 0.3 . 1 . . . A 53 PHE C . 25449 1 612 . 1 1 56 56 PHE CA C 13 56.2 0.3 . 1 . . . A 53 PHE CA . 25449 1 613 . 1 1 56 56 PHE CB C 13 42.4 0.3 . 1 . . . A 53 PHE CB . 25449 1 614 . 1 1 56 56 PHE CD1 C 13 131.9 0.3 . 1 . . . A 53 PHE CD1 . 25449 1 615 . 1 1 56 56 PHE CE2 C 13 131.6 0.3 . 1 . . . A 53 PHE CE2 . 25449 1 616 . 1 1 56 56 PHE N N 15 115 0.3 . 1 . . . A 53 PHE N . 25449 1 617 . 1 1 57 57 VAL H H 1 9.06 0.02 . 1 . . . A 54 VAL H . 25449 1 618 . 1 1 57 57 VAL HA H 1 4.1 0.02 . 1 . . . A 54 VAL HA . 25449 1 619 . 1 1 57 57 VAL HB H 1 1.41 0.02 . 1 . . . A 54 VAL HB . 25449 1 620 . 1 1 57 57 VAL HG11 H 1 0.19 0.02 . 1 . . . A 54 VAL HG11 . 25449 1 621 . 1 1 57 57 VAL HG12 H 1 0.19 0.02 . 1 . . . A 54 VAL HG12 . 25449 1 622 . 1 1 57 57 VAL HG13 H 1 0.19 0.02 . 1 . . . A 54 VAL HG13 . 25449 1 623 . 1 1 57 57 VAL HG21 H 1 -0.04 0.02 . 1 . . . A 54 VAL HG21 . 25449 1 624 . 1 1 57 57 VAL HG22 H 1 -0.04 0.02 . 1 . . . A 54 VAL HG22 . 25449 1 625 . 1 1 57 57 VAL HG23 H 1 -0.04 0.02 . 1 . . . A 54 VAL HG23 . 25449 1 626 . 1 1 57 57 VAL C C 13 173 0.3 . 1 . . . A 54 VAL C . 25449 1 627 . 1 1 57 57 VAL CA C 13 61.7 0.3 . 1 . . . A 54 VAL CA . 25449 1 628 . 1 1 57 57 VAL CB C 13 34.4 0.3 . 1 . . . A 54 VAL CB . 25449 1 629 . 1 1 57 57 VAL CG1 C 13 21.1 0.3 . 1 . . . A 54 VAL CG1 . 25449 1 630 . 1 1 57 57 VAL CG2 C 13 19.4 0.3 . 1 . . . A 54 VAL CG2 . 25449 1 631 . 1 1 57 57 VAL N N 15 122.3 0.3 . 1 . . . A 54 VAL N . 25449 1 632 . 1 1 58 58 GLU H H 1 8.86 0.02 . 1 . . . A 55 GLU H . 25449 1 633 . 1 1 58 58 GLU HA H 1 5.16 0.02 . 1 . . . A 55 GLU HA . 25449 1 634 . 1 1 58 58 GLU HB2 H 1 2 0.02 . 2 . . . A 55 GLU HB2 . 25449 1 635 . 1 1 58 58 GLU HB3 H 1 1.76 0.02 . 2 . . . A 55 GLU HB3 . 25449 1 636 . 1 1 58 58 GLU HG2 H 1 2.14 0.02 . 2 . . . A 55 GLU HG2 . 25449 1 637 . 1 1 58 58 GLU HG3 H 1 1.99 0.02 . 2 . . . A 55 GLU HG3 . 25449 1 638 . 1 1 58 58 GLU C C 13 175.9 0.3 . 1 . . . A 55 GLU C . 25449 1 639 . 1 1 58 58 GLU CA C 13 54 0.3 . 1 . . . A 55 GLU CA . 25449 1 640 . 1 1 58 58 GLU CB C 13 31.7 0.3 . 1 . . . A 55 GLU CB . 25449 1 641 . 1 1 58 58 GLU CG C 13 35.4 0.3 . 1 . . . A 55 GLU CG . 25449 1 642 . 1 1 58 58 GLU N N 15 127.3 0.3 . 1 . . . A 55 GLU N . 25449 1 643 . 1 1 59 59 TYR H H 1 9.47 0.02 . 1 . . . A 56 TYR H . 25449 1 644 . 1 1 59 59 TYR HA H 1 4.52 0.02 . 1 . . . A 56 TYR HA . 25449 1 645 . 1 1 59 59 TYR HB2 H 1 3.58 0.02 . 2 . . . A 56 TYR HB2 . 25449 1 646 . 1 1 59 59 TYR HB3 H 1 2.59 0.02 . 2 . . . A 56 TYR HB3 . 25449 1 647 . 1 1 59 59 TYR HD1 H 1 6.97 0.02 . 1 . . . A 56 TYR HD1 . 25449 1 648 . 1 1 59 59 TYR HE1 H 1 6.45 0.02 . 1 . . . A 56 TYR HE1 . 25449 1 649 . 1 1 59 59 TYR C C 13 175 0.3 . 1 . . . A 56 TYR C . 25449 1 650 . 1 1 59 59 TYR CA C 13 59.7 0.3 . 1 . . . A 56 TYR CA . 25449 1 651 . 1 1 59 59 TYR CB C 13 40.2 0.3 . 1 . . . A 56 TYR CB . 25449 1 652 . 1 1 59 59 TYR CD2 C 13 132.6 0.3 . 1 . . . A 56 TYR CD2 . 25449 1 653 . 1 1 59 59 TYR CE1 C 13 118 0.3 . 1 . . . A 56 TYR CE1 . 25449 1 654 . 1 1 59 59 TYR N N 15 127.5 0.3 . 1 . . . A 56 TYR N . 25449 1 655 . 1 1 60 60 VAL H H 1 7.8 0.02 . 1 . . . A 57 VAL H . 25449 1 656 . 1 1 60 60 VAL HA H 1 3.57 0.02 . 1 . . . A 57 VAL HA . 25449 1 657 . 1 1 60 60 VAL HB H 1 2.17 0.02 . 1 . . . A 57 VAL HB . 25449 1 658 . 1 1 60 60 VAL HG11 H 1 0.97 0.02 . 1 . . . A 57 VAL HG11 . 25449 1 659 . 1 1 60 60 VAL HG12 H 1 0.97 0.02 . 1 . . . A 57 VAL HG12 . 25449 1 660 . 1 1 60 60 VAL HG13 H 1 0.97 0.02 . 1 . . . A 57 VAL HG13 . 25449 1 661 . 1 1 60 60 VAL HG21 H 1 0.81 0.02 . 1 . . . A 57 VAL HG21 . 25449 1 662 . 1 1 60 60 VAL HG22 H 1 0.81 0.02 . 1 . . . A 57 VAL HG22 . 25449 1 663 . 1 1 60 60 VAL HG23 H 1 0.81 0.02 . 1 . . . A 57 VAL HG23 . 25449 1 664 . 1 1 60 60 VAL C C 13 177 0.3 . 1 . . . A 57 VAL C . 25449 1 665 . 1 1 60 60 VAL CA C 13 66.3 0.3 . 1 . . . A 57 VAL CA . 25449 1 666 . 1 1 60 60 VAL CB C 13 32 0.3 . 1 . . . A 57 VAL CB . 25449 1 667 . 1 1 60 60 VAL CG1 C 13 21.5 0.3 . 1 . . . A 57 VAL CG1 . 25449 1 668 . 1 1 60 60 VAL CG2 C 13 22.9 0.3 . 1 . . . A 57 VAL CG2 . 25449 1 669 . 1 1 60 60 VAL N N 15 119.2 0.3 . 1 . . . A 57 VAL N . 25449 1 670 . 1 1 61 61 GLU H H 1 9.53 0.02 . 1 . . . A 58 GLU H . 25449 1 671 . 1 1 61 61 GLU HA H 1 4.78 0.02 . 1 . . . A 58 GLU HA . 25449 1 672 . 1 1 61 61 GLU HB2 H 1 2.08 0.02 . 2 . . . A 58 GLU HB2 . 25449 1 673 . 1 1 61 61 GLU HB3 H 1 1.84 0.02 . 2 . . . A 58 GLU HB3 . 25449 1 674 . 1 1 61 61 GLU HG2 H 1 2.37 0.02 . 2 . . . A 58 GLU HG2 . 25449 1 675 . 1 1 61 61 GLU HG3 H 1 2.26 0.02 . 2 . . . A 58 GLU HG3 . 25449 1 676 . 1 1 61 61 GLU C C 13 177.5 0.3 . 1 . . . A 58 GLU C . 25449 1 677 . 1 1 61 61 GLU CA C 13 53.8 0.3 . 1 . . . A 58 GLU CA . 25449 1 678 . 1 1 61 61 GLU CB C 13 30.5 0.3 . 1 . . . A 58 GLU CB . 25449 1 679 . 1 1 61 61 GLU CG C 13 35 0.3 . 1 . . . A 58 GLU CG . 25449 1 680 . 1 1 61 61 GLU N N 15 118.5 0.3 . 1 . . . A 58 GLU N . 25449 1 681 . 1 1 62 62 VAL H H 1 8.65 0.02 . 1 . . . A 59 VAL H . 25449 1 682 . 1 1 62 62 VAL HA H 1 3.53 0.02 . 1 . . . A 59 VAL HA . 25449 1 683 . 1 1 62 62 VAL HB H 1 1.98 0.02 . 1 . . . A 59 VAL HB . 25449 1 684 . 1 1 62 62 VAL HG11 H 1 0.91 0.02 . 1 . . . A 59 VAL HG11 . 25449 1 685 . 1 1 62 62 VAL HG12 H 1 0.91 0.02 . 1 . . . A 59 VAL HG12 . 25449 1 686 . 1 1 62 62 VAL HG13 H 1 0.91 0.02 . 1 . . . A 59 VAL HG13 . 25449 1 687 . 1 1 62 62 VAL HG21 H 1 0.78 0.02 . 1 . . . A 59 VAL HG21 . 25449 1 688 . 1 1 62 62 VAL HG22 H 1 0.78 0.02 . 1 . . . A 59 VAL HG22 . 25449 1 689 . 1 1 62 62 VAL HG23 H 1 0.78 0.02 . 1 . . . A 59 VAL HG23 . 25449 1 690 . 1 1 62 62 VAL C C 13 177.6 0.3 . 1 . . . A 59 VAL C . 25449 1 691 . 1 1 62 62 VAL CA C 13 66.1 0.3 . 1 . . . A 59 VAL CA . 25449 1 692 . 1 1 62 62 VAL CB C 13 31.7 0.3 . 1 . . . A 59 VAL CB . 25449 1 693 . 1 1 62 62 VAL CG1 C 13 22.3 0.3 . 1 . . . A 59 VAL CG1 . 25449 1 694 . 1 1 62 62 VAL CG2 C 13 20.9 0.3 . 1 . . . A 59 VAL CG2 . 25449 1 695 . 1 1 62 62 VAL N N 15 125.2 0.3 . 1 . . . A 59 VAL N . 25449 1 696 . 1 1 63 63 ASP H H 1 8.97 0.02 . 1 . . . A 60 ASP H . 25449 1 697 . 1 1 63 63 ASP HA H 1 4.22 0.02 . 1 . . . A 60 ASP HA . 25449 1 698 . 1 1 63 63 ASP HB2 H 1 2.54 0.02 . 2 . . . A 60 ASP HB2 . 25449 1 699 . 1 1 63 63 ASP HB3 H 1 2.46 0.02 . 2 . . . A 60 ASP HB3 . 25449 1 700 . 1 1 63 63 ASP C C 13 178.3 0.3 . 1 . . . A 60 ASP C . 25449 1 701 . 1 1 63 63 ASP CA C 13 57.6 0.3 . 1 . . . A 60 ASP CA . 25449 1 702 . 1 1 63 63 ASP CB C 13 40.5 0.3 . 1 . . . A 60 ASP CB . 25449 1 703 . 1 1 63 63 ASP N N 15 118.5 0.3 . 1 . . . A 60 ASP N . 25449 1 704 . 1 1 64 64 ASP H H 1 6.92 0.02 . 1 . . . A 61 ASP H . 25449 1 705 . 1 1 64 64 ASP HA H 1 4.36 0.02 . 1 . . . A 61 ASP HA . 25449 1 706 . 1 1 64 64 ASP HB2 H 1 2.75 0.02 . 2 . . . A 61 ASP HB2 . 25449 1 707 . 1 1 64 64 ASP HB3 H 1 2.38 0.02 . 2 . . . A 61 ASP HB3 . 25449 1 708 . 1 1 64 64 ASP C C 13 176.8 0.3 . 1 . . . A 61 ASP C . 25449 1 709 . 1 1 64 64 ASP CA C 13 56.9 0.3 . 1 . . . A 61 ASP CA . 25449 1 710 . 1 1 64 64 ASP CB C 13 39.8 0.3 . 1 . . . A 61 ASP CB . 25449 1 711 . 1 1 64 64 ASP N N 15 119.9 0.3 . 1 . . . A 61 ASP N . 25449 1 712 . 1 1 65 65 ALA H H 1 6.91 0.02 . 1 . . . A 62 ALA H . 25449 1 713 . 1 1 65 65 ALA HA H 1 3.38 0.02 . 1 . . . A 62 ALA HA . 25449 1 714 . 1 1 65 65 ALA HB1 H 1 1.62 0.02 . 1 . . . A 62 ALA HB1 . 25449 1 715 . 1 1 65 65 ALA HB2 H 1 1.62 0.02 . 1 . . . A 62 ALA HB2 . 25449 1 716 . 1 1 65 65 ALA HB3 H 1 1.62 0.02 . 1 . . . A 62 ALA HB3 . 25449 1 717 . 1 1 65 65 ALA C C 13 171.6 0.3 . 1 . . . A 62 ALA C . 25449 1 718 . 1 1 65 65 ALA CA C 13 55.1 0.3 . 1 . . . A 62 ALA CA . 25449 1 719 . 1 1 65 65 ALA CB C 13 18.2 0.3 . 1 . . . A 62 ALA CB . 25449 1 720 . 1 1 65 65 ALA N N 15 122.7 0.3 . 1 . . . A 62 ALA N . 25449 1 721 . 1 1 66 66 LYS H H 1 8.02 0.02 . 1 . . . A 63 LYS H . 25449 1 722 . 1 1 66 66 LYS HA H 1 4.19 0.02 . 1 . . . A 63 LYS HA . 25449 1 723 . 1 1 66 66 LYS HB3 H 1 1.75 0.02 . 1 . . . A 63 LYS HB3 . 25449 1 724 . 1 1 66 66 LYS HG2 H 1 1.39 0.02 . 1 . . . A 63 LYS HG2 . 25449 1 725 . 1 1 66 66 LYS HD2 H 1 1.58 0.02 . 1 . . . A 63 LYS HD2 . 25449 1 726 . 1 1 66 66 LYS HE2 H 1 2.76 0.02 . 1 . . . A 63 LYS HE2 . 25449 1 727 . 1 1 66 66 LYS C C 13 179.2 0.3 . 1 . . . A 63 LYS C . 25449 1 728 . 1 1 66 66 LYS CA C 13 59.3 0.3 . 1 . . . A 63 LYS CA . 25449 1 729 . 1 1 66 66 LYS CB C 13 32.6 0.3 . 1 . . . A 63 LYS CB . 25449 1 730 . 1 1 66 66 LYS CG C 13 24.7 0.3 . 1 . . . A 63 LYS CG . 25449 1 731 . 1 1 66 66 LYS CD C 13 29.9 0.3 . 1 . . . A 63 LYS CD . 25449 1 732 . 1 1 66 66 LYS CE C 13 41.8 0.3 . 1 . . . A 63 LYS CE . 25449 1 733 . 1 1 66 66 LYS N N 15 116.2 0.3 . 1 . . . A 63 LYS N . 25449 1 734 . 1 1 67 67 HIS H H 1 7.46 0.02 . 1 . . . A 64 HIS H . 25449 1 735 . 1 1 67 67 HIS HA H 1 4.31 0.02 . 1 . . . A 64 HIS HA . 25449 1 736 . 1 1 67 67 HIS HB2 H 1 3.36 0.02 . 2 . . . A 64 HIS HB2 . 25449 1 737 . 1 1 67 67 HIS HB3 H 1 3.32 0.02 . 2 . . . A 64 HIS HB3 . 25449 1 738 . 1 1 67 67 HIS HD2 H 1 7.3 0.02 . 1 . . . A 64 HIS HD2 . 25449 1 739 . 1 1 67 67 HIS CA C 13 58 0.3 . 1 . . . A 64 HIS CA . 25449 1 740 . 1 1 67 67 HIS CB C 13 29.1 0.3 . 1 . . . A 64 HIS CB . 25449 1 741 . 1 1 67 67 HIS CD2 C 13 120 0.3 . 1 . . . A 64 HIS CD2 . 25449 1 742 . 1 1 67 67 HIS N N 15 117.4 0.3 . 1 . . . A 64 HIS N . 25449 1 743 . 1 1 68 68 ALA H H 1 8.19 0.02 . 1 . . . A 65 ALA H . 25449 1 744 . 1 1 68 68 ALA HA H 1 2.17 0.02 . 1 . . . A 65 ALA HA . 25449 1 745 . 1 1 68 68 ALA HB1 H 1 1.12 0.02 . 1 . . . A 65 ALA HB1 . 25449 1 746 . 1 1 68 68 ALA HB2 H 1 1.12 0.02 . 1 . . . A 65 ALA HB2 . 25449 1 747 . 1 1 68 68 ALA HB3 H 1 1.12 0.02 . 1 . . . A 65 ALA HB3 . 25449 1 748 . 1 1 68 68 ALA C C 13 178.7 0.3 . 1 . . . A 65 ALA C . 25449 1 749 . 1 1 68 68 ALA CA C 13 54.8 0.3 . 1 . . . A 65 ALA CA . 25449 1 750 . 1 1 68 68 ALA CB C 13 19.4 0.3 . 1 . . . A 65 ALA CB . 25449 1 751 . 1 1 68 68 ALA N N 15 123.7 0.3 . 1 . . . A 65 ALA N . 25449 1 752 . 1 1 69 69 LEU H H 1 8.34 0.02 . 1 . . . A 66 LEU H . 25449 1 753 . 1 1 69 69 LEU HA H 1 3.43 0.02 . 1 . . . A 66 LEU HA . 25449 1 754 . 1 1 69 69 LEU HB2 H 1 1.6 0.02 . 2 . . . A 66 LEU HB2 . 25449 1 755 . 1 1 69 69 LEU HB3 H 1 1.29 0.02 . 2 . . . A 66 LEU HB3 . 25449 1 756 . 1 1 69 69 LEU HG H 1 1.22 0.02 . 1 . . . A 66 LEU HG . 25449 1 757 . 1 1 69 69 LEU HD11 H 1 0.44 0.02 . 1 . . . A 66 LEU HD11 . 25449 1 758 . 1 1 69 69 LEU HD12 H 1 0.44 0.02 . 1 . . . A 66 LEU HD12 . 25449 1 759 . 1 1 69 69 LEU HD13 H 1 0.44 0.02 . 1 . . . A 66 LEU HD13 . 25449 1 760 . 1 1 69 69 LEU HD21 H 1 0.11 0.02 . 1 . . . A 66 LEU HD21 . 25449 1 761 . 1 1 69 69 LEU HD22 H 1 0.11 0.02 . 1 . . . A 66 LEU HD22 . 25449 1 762 . 1 1 69 69 LEU HD23 H 1 0.11 0.02 . 1 . . . A 66 LEU HD23 . 25449 1 763 . 1 1 69 69 LEU C C 13 178.7 0.3 . 1 . . . A 66 LEU C . 25449 1 764 . 1 1 69 69 LEU CA C 13 59.7 0.3 . 1 . . . A 66 LEU CA . 25449 1 765 . 1 1 69 69 LEU CB C 13 41.1 0.3 . 1 . . . A 66 LEU CB . 25449 1 766 . 1 1 69 69 LEU CG C 13 27.1 0.3 . 1 . . . A 66 LEU CG . 25449 1 767 . 1 1 69 69 LEU CD1 C 13 24.9 0.3 . 1 . . . A 66 LEU CD1 . 25449 1 768 . 1 1 69 69 LEU CD2 C 13 25.9 0.3 . 1 . . . A 66 LEU CD2 . 25449 1 769 . 1 1 69 69 LEU N N 15 119.8 0.3 . 1 . . . A 66 LEU N . 25449 1 770 . 1 1 70 70 TYR H H 1 7.76 0.02 . 1 . . . A 67 TYR H . 25449 1 771 . 1 1 70 70 TYR HA H 1 4.01 0.02 . 1 . . . A 67 TYR HA . 25449 1 772 . 1 1 70 70 TYR HB2 H 1 2.97 0.02 . 2 . . . A 67 TYR HB2 . 25449 1 773 . 1 1 70 70 TYR HB3 H 1 2.87 0.02 . 2 . . . A 67 TYR HB3 . 25449 1 774 . 1 1 70 70 TYR HD1 H 1 7.02 0.02 . 1 . . . A 67 TYR HD1 . 25449 1 775 . 1 1 70 70 TYR HE1 H 1 6.75 0.02 . 1 . . . A 67 TYR HE1 . 25449 1 776 . 1 1 70 70 TYR C C 13 177.7 0.3 . 1 . . . A 67 TYR C . 25449 1 777 . 1 1 70 70 TYR CA C 13 60.5 0.3 . 1 . . . A 67 TYR CA . 25449 1 778 . 1 1 70 70 TYR CB C 13 38.1 0.3 . 1 . . . A 67 TYR CB . 25449 1 779 . 1 1 70 70 TYR CD2 C 13 133.3 0.3 . 1 . . . A 67 TYR CD2 . 25449 1 780 . 1 1 70 70 TYR CE1 C 13 118 0.3 . 1 . . . A 67 TYR CE1 . 25449 1 781 . 1 1 70 70 TYR N N 15 116.2 0.3 . 1 . . . A 67 TYR N . 25449 1 782 . 1 1 71 71 ASN H H 1 7.48 0.02 . 1 . . . A 68 ASN H . 25449 1 783 . 1 1 71 71 ASN HA H 1 4.43 0.02 . 1 . . . A 68 ASN HA . 25449 1 784 . 1 1 71 71 ASN HB2 H 1 2.48 0.02 . 2 . . . A 68 ASN HB2 . 25449 1 785 . 1 1 71 71 ASN HB3 H 1 2.19 0.02 . 2 . . . A 68 ASN HB3 . 25449 1 786 . 1 1 71 71 ASN HD21 H 1 7.59 0.02 . 1 . . . A 68 ASN HD21 . 25449 1 787 . 1 1 71 71 ASN HD22 H 1 6.91 0.02 . 1 . . . A 68 ASN HD22 . 25449 1 788 . 1 1 71 71 ASN C C 13 176.4 0.3 . 1 . . . A 68 ASN C . 25449 1 789 . 1 1 71 71 ASN CA C 13 55.6 0.3 . 1 . . . A 68 ASN CA . 25449 1 790 . 1 1 71 71 ASN CB C 13 41.4 0.3 . 1 . . . A 68 ASN CB . 25449 1 791 . 1 1 71 71 ASN N N 15 113.9 0.3 . 1 . . . A 68 ASN N . 25449 1 792 . 1 1 71 71 ASN ND2 N 15 112.8 0.3 . 1 . . . A 68 ASN ND2 . 25449 1 793 . 1 1 72 72 MET H H 1 8.31 0.02 . 1 . . . A 69 MET H . 25449 1 794 . 1 1 72 72 MET HA H 1 4.76 0.02 . 1 . . . A 69 MET HA . 25449 1 795 . 1 1 72 72 MET HB2 H 1 1.67 0.02 . 1 . . . A 69 MET HB2 . 25449 1 796 . 1 1 72 72 MET HG2 H 1 1.78 0.02 . 1 . . . A 69 MET HG2 . 25449 1 797 . 1 1 72 72 MET C C 13 177 0.3 . 1 . . . A 69 MET C . 25449 1 798 . 1 1 72 72 MET CA C 13 53.5 0.3 . 1 . . . A 69 MET CA . 25449 1 799 . 1 1 72 72 MET CB C 13 31.1 0.3 . 1 . . . A 69 MET CB . 25449 1 800 . 1 1 72 72 MET CG C 13 32.6 0.3 . 1 . . . A 69 MET CG . 25449 1 801 . 1 1 72 72 MET N N 15 114.9 0.3 . 1 . . . A 69 MET N . 25449 1 802 . 1 1 73 73 ASN H H 1 7.66 0.02 . 1 . . . A 70 ASN H . 25449 1 803 . 1 1 73 73 ASN HA H 1 4.37 0.02 . 1 . . . A 70 ASN HA . 25449 1 804 . 1 1 73 73 ASN HB2 H 1 2.76 0.02 . 1 . . . A 70 ASN HB2 . 25449 1 805 . 1 1 73 73 ASN HD21 H 1 7.62 0.02 . 1 . . . A 70 ASN HD21 . 25449 1 806 . 1 1 73 73 ASN HD22 H 1 6.86 0.02 . 1 . . . A 70 ASN HD22 . 25449 1 807 . 1 1 73 73 ASN C C 13 176.4 0.3 . 1 . . . A 70 ASN C . 25449 1 808 . 1 1 73 73 ASN CA C 13 56.1 0.3 . 1 . . . A 70 ASN CA . 25449 1 809 . 1 1 73 73 ASN CB C 13 38.7 0.3 . 1 . . . A 70 ASN CB . 25449 1 810 . 1 1 73 73 ASN N N 15 117.7 0.3 . 1 . . . A 70 ASN N . 25449 1 811 . 1 1 73 73 ASN ND2 N 15 113.5 0.3 . 1 . . . A 70 ASN ND2 . 25449 1 812 . 1 1 74 74 ASN H H 1 8.6 0.02 . 1 . . . A 71 ASN H . 25449 1 813 . 1 1 74 74 ASN HA H 1 4.51 0.02 . 1 . . . A 71 ASN HA . 25449 1 814 . 1 1 74 74 ASN HB2 H 1 2.82 0.02 . 2 . . . A 71 ASN HB2 . 25449 1 815 . 1 1 74 74 ASN HB3 H 1 2.77 0.02 . 2 . . . A 71 ASN HB3 . 25449 1 816 . 1 1 74 74 ASN HD21 H 1 7.8 0.02 . 1 . . . A 71 ASN HD21 . 25449 1 817 . 1 1 74 74 ASN HD22 H 1 7.01 0.02 . 1 . . . A 71 ASN HD22 . 25449 1 818 . 1 1 74 74 ASN C C 13 173.3 0.3 . 1 . . . A 71 ASN C . 25449 1 819 . 1 1 74 74 ASN CA C 13 55.8 0.3 . 1 . . . A 71 ASN CA . 25449 1 820 . 1 1 74 74 ASN CB C 13 38.2 0.3 . 1 . . . A 71 ASN CB . 25449 1 821 . 1 1 74 74 ASN N N 15 121.5 0.3 . 1 . . . A 71 ASN N . 25449 1 822 . 1 1 74 74 ASN ND2 N 15 114.5 0.3 . 1 . . . A 71 ASN ND2 . 25449 1 823 . 1 1 75 75 PHE H H 1 7.87 0.02 . 1 . . . A 72 PHE H . 25449 1 824 . 1 1 75 75 PHE HA H 1 4.19 0.02 . 1 . . . A 72 PHE HA . 25449 1 825 . 1 1 75 75 PHE HB2 H 1 3.12 0.02 . 2 . . . A 72 PHE HB2 . 25449 1 826 . 1 1 75 75 PHE HB3 H 1 2.8 0.02 . 2 . . . A 72 PHE HB3 . 25449 1 827 . 1 1 75 75 PHE HD2 H 1 7.17 0.02 . 1 . . . A 72 PHE HD2 . 25449 1 828 . 1 1 75 75 PHE HE2 H 1 7.2 0.02 . 1 . . . A 72 PHE HE2 . 25449 1 829 . 1 1 75 75 PHE C C 13 174.1 0.3 . 1 . . . A 72 PHE C . 25449 1 830 . 1 1 75 75 PHE CA C 13 58.7 0.3 . 1 . . . A 72 PHE CA . 25449 1 831 . 1 1 75 75 PHE CB C 13 41.3 0.3 . 1 . . . A 72 PHE CB . 25449 1 832 . 1 1 75 75 PHE CD1 C 13 131.3 0.3 . 1 . . . A 72 PHE CD1 . 25449 1 833 . 1 1 75 75 PHE CE2 C 13 129.5 0.3 . 1 . . . A 72 PHE CE2 . 25449 1 834 . 1 1 75 75 PHE N N 15 122.3 0.3 . 1 . . . A 72 PHE N . 25449 1 835 . 1 1 76 76 GLU H H 1 7.69 0.02 . 1 . . . A 73 GLU H . 25449 1 836 . 1 1 76 76 GLU HA H 1 4.23 0.02 . 1 . . . A 73 GLU HA . 25449 1 837 . 1 1 76 76 GLU HB2 H 1 1.55 0.02 . 2 . . . A 73 GLU HB2 . 25449 1 838 . 1 1 76 76 GLU HB3 H 1 1.44 0.02 . 2 . . . A 73 GLU HB3 . 25449 1 839 . 1 1 76 76 GLU HG2 H 1 1.74 0.02 . 2 . . . A 73 GLU HG2 . 25449 1 840 . 1 1 76 76 GLU HG3 H 1 1.62 0.02 . 2 . . . A 73 GLU HG3 . 25449 1 841 . 1 1 76 76 GLU C C 13 173 0.3 . 1 . . . A 73 GLU C . 25449 1 842 . 1 1 76 76 GLU CA C 13 55.6 0.3 . 1 . . . A 73 GLU CA . 25449 1 843 . 1 1 76 76 GLU CB C 13 30.3 0.3 . 1 . . . A 73 GLU CB . 25449 1 844 . 1 1 76 76 GLU CG C 13 36.9 0.3 . 1 . . . A 73 GLU CG . 25449 1 845 . 1 1 76 76 GLU N N 15 126.1 0.3 . 1 . . . A 73 GLU N . 25449 1 846 . 1 1 77 77 LEU H H 1 8.62 0.02 . 1 . . . A 74 LEU H . 25449 1 847 . 1 1 77 77 LEU HA H 1 4.52 0.02 . 1 . . . A 74 LEU HA . 25449 1 848 . 1 1 77 77 LEU HB2 H 1 1.87 0.02 . 2 . . . A 74 LEU HB2 . 25449 1 849 . 1 1 77 77 LEU HB3 H 1 1.25 0.02 . 2 . . . A 74 LEU HB3 . 25449 1 850 . 1 1 77 77 LEU HD21 H 1 0.83 0.02 . 1 . . . A 74 LEU HD21 . 25449 1 851 . 1 1 77 77 LEU HD22 H 1 0.83 0.02 . 1 . . . A 74 LEU HD22 . 25449 1 852 . 1 1 77 77 LEU HD23 H 1 0.83 0.02 . 1 . . . A 74 LEU HD23 . 25449 1 853 . 1 1 77 77 LEU C C 13 175.5 0.3 . 1 . . . A 74 LEU C . 25449 1 854 . 1 1 77 77 LEU CA C 13 53.3 0.3 . 1 . . . A 74 LEU CA . 25449 1 855 . 1 1 77 77 LEU CB C 13 44.6 0.3 . 1 . . . A 74 LEU CB . 25449 1 856 . 1 1 77 77 LEU CG C 13 27 0.3 . 1 . . . A 74 LEU CG . 25449 1 857 . 1 1 77 77 LEU CD1 C 13 25.6 0.3 . 1 . . . A 74 LEU CD1 . 25449 1 858 . 1 1 77 77 LEU CD2 C 13 25.6 0.3 . 1 . . . A 74 LEU CD2 . 25449 1 859 . 1 1 77 77 LEU N N 15 128.9 0.3 . 1 . . . A 74 LEU N . 25449 1 860 . 1 1 78 78 ASN H H 1 9.52 0.02 . 1 . . . A 75 ASN H . 25449 1 861 . 1 1 78 78 ASN HA H 1 4.21 0.02 . 1 . . . A 75 ASN HA . 25449 1 862 . 1 1 78 78 ASN HB2 H 1 2.99 0.02 . 2 . . . A 75 ASN HB2 . 25449 1 863 . 1 1 78 78 ASN HB3 H 1 2.64 0.02 . 2 . . . A 75 ASN HB3 . 25449 1 864 . 1 1 78 78 ASN HD21 H 1 8.1 0.02 . 1 . . . A 75 ASN HD21 . 25449 1 865 . 1 1 78 78 ASN HD22 H 1 6.71 0.02 . 1 . . . A 75 ASN HD22 . 25449 1 866 . 1 1 78 78 ASN C C 13 175.6 0.3 . 1 . . . A 75 ASN C . 25449 1 867 . 1 1 78 78 ASN CA C 13 53.9 0.3 . 1 . . . A 75 ASN CA . 25449 1 868 . 1 1 78 78 ASN CB C 13 36.9 0.3 . 1 . . . A 75 ASN CB . 25449 1 869 . 1 1 78 78 ASN N N 15 126.8 0.3 . 1 . . . A 75 ASN N . 25449 1 870 . 1 1 78 78 ASN ND2 N 15 112.7 0.3 . 1 . . . A 75 ASN ND2 . 25449 1 871 . 1 1 79 79 GLY H H 1 8.5 0.02 . 1 . . . A 76 GLY H . 25449 1 872 . 1 1 79 79 GLY HA2 H 1 4.01 0.02 . 2 . . . A 76 GLY HA2 . 25449 1 873 . 1 1 79 79 GLY HA3 H 1 3.5 0.02 . 2 . . . A 76 GLY HA3 . 25449 1 874 . 1 1 79 79 GLY C C 13 173.6 0.3 . 1 . . . A 76 GLY C . 25449 1 875 . 1 1 79 79 GLY CA C 13 45.3 0.3 . 1 . . . A 76 GLY CA . 25449 1 876 . 1 1 79 79 GLY N N 15 102.3 0.3 . 1 . . . A 76 GLY N . 25449 1 877 . 1 1 80 80 LYS H H 1 7.58 0.02 . 1 . . . A 77 LYS H . 25449 1 878 . 1 1 80 80 LYS HA H 1 4.57 0.02 . 1 . . . A 77 LYS HA . 25449 1 879 . 1 1 80 80 LYS HB2 H 1 1.88 0.02 . 2 . . . A 77 LYS HB2 . 25449 1 880 . 1 1 80 80 LYS HB3 H 1 1.73 0.02 . 2 . . . A 77 LYS HB3 . 25449 1 881 . 1 1 80 80 LYS HG2 H 1 1.37 0.02 . 1 . . . A 77 LYS HG2 . 25449 1 882 . 1 1 80 80 LYS HD2 H 1 1.61 0.02 . 1 . . . A 77 LYS HD2 . 25449 1 883 . 1 1 80 80 LYS HE2 H 1 2.96 0.02 . 1 . . . A 77 LYS HE2 . 25449 1 884 . 1 1 80 80 LYS C C 13 175.1 0.3 . 1 . . . A 77 LYS C . 25449 1 885 . 1 1 80 80 LYS CA C 13 54.2 0.3 . 1 . . . A 77 LYS CA . 25449 1 886 . 1 1 80 80 LYS CB C 13 34.5 0.3 . 1 . . . A 77 LYS CB . 25449 1 887 . 1 1 80 80 LYS CG C 13 24.7 0.3 . 1 . . . A 77 LYS CG . 25449 1 888 . 1 1 80 80 LYS CD C 13 28.5 0.3 . 1 . . . A 77 LYS CD . 25449 1 889 . 1 1 80 80 LYS CE C 13 42.3 0.3 . 1 . . . A 77 LYS CE . 25449 1 890 . 1 1 80 80 LYS N N 15 120.8 0.3 . 1 . . . A 77 LYS N . 25449 1 891 . 1 1 81 81 ARG H H 1 8.58 0.02 . 1 . . . A 78 ARG H . 25449 1 892 . 1 1 81 81 ARG HA H 1 4.48 0.02 . 1 . . . A 78 ARG HA . 25449 1 893 . 1 1 81 81 ARG HB2 H 1 1.65 0.02 . 2 . . . A 78 ARG HB2 . 25449 1 894 . 1 1 81 81 ARG HB3 H 1 1.43 0.02 . 2 . . . A 78 ARG HB3 . 25449 1 895 . 1 1 81 81 ARG HG2 H 1 1.63 0.02 . 1 . . . A 78 ARG HG2 . 25449 1 896 . 1 1 81 81 ARG HD2 H 1 3.01 0.02 . 1 . . . A 78 ARG HD2 . 25449 1 897 . 1 1 81 81 ARG C C 13 176.6 0.3 . 1 . . . A 78 ARG C . 25449 1 898 . 1 1 81 81 ARG CA C 13 55.3 0.3 . 1 . . . A 78 ARG CA . 25449 1 899 . 1 1 81 81 ARG CB C 13 30.3 0.3 . 1 . . . A 78 ARG CB . 25449 1 900 . 1 1 81 81 ARG CG C 13 26.4 0.3 . 1 . . . A 78 ARG CG . 25449 1 901 . 1 1 81 81 ARG CD C 13 43.2 0.3 . 1 . . . A 78 ARG CD . 25449 1 902 . 1 1 81 81 ARG N N 15 123.3 0.3 . 1 . . . A 78 ARG N . 25449 1 903 . 1 1 82 82 ILE H H 1 8.45 0.02 . 1 . . . A 79 ILE H . 25449 1 904 . 1 1 82 82 ILE HA H 1 4.7 0.02 . 1 . . . A 79 ILE HA . 25449 1 905 . 1 1 82 82 ILE HB H 1 1.89 0.02 . 1 . . . A 79 ILE HB . 25449 1 906 . 1 1 82 82 ILE HG13 H 1 1.65 0.02 . 1 . . . A 79 ILE HG13 . 25449 1 907 . 1 1 82 82 ILE HG21 H 1 0.79 0.02 . 1 . . . A 79 ILE HG21 . 25449 1 908 . 1 1 82 82 ILE HG22 H 1 0.79 0.02 . 1 . . . A 79 ILE HG22 . 25449 1 909 . 1 1 82 82 ILE HG23 H 1 0.79 0.02 . 1 . . . A 79 ILE HG23 . 25449 1 910 . 1 1 82 82 ILE HD11 H 1 0.73 0.02 . 1 . . . A 79 ILE HD11 . 25449 1 911 . 1 1 82 82 ILE HD12 H 1 0.73 0.02 . 1 . . . A 79 ILE HD12 . 25449 1 912 . 1 1 82 82 ILE HD13 H 1 0.73 0.02 . 1 . . . A 79 ILE HD13 . 25449 1 913 . 1 1 82 82 ILE C C 13 175.2 0.3 . 1 . . . A 79 ILE C . 25449 1 914 . 1 1 82 82 ILE CA C 13 60 0.3 . 1 . . . A 79 ILE CA . 25449 1 915 . 1 1 82 82 ILE CB C 13 39.4 0.3 . 1 . . . A 79 ILE CB . 25449 1 916 . 1 1 82 82 ILE CG1 C 13 25.3 0.3 . 1 . . . A 79 ILE CG1 . 25449 1 917 . 1 1 82 82 ILE CG2 C 13 18.8 0.3 . 1 . . . A 79 ILE CG2 . 25449 1 918 . 1 1 82 82 ILE CD1 C 13 13.5 0.3 . 1 . . . A 79 ILE CD1 . 25449 1 919 . 1 1 82 82 ILE N N 15 120.1 0.3 . 1 . . . A 79 ILE N . 25449 1 920 . 1 1 83 83 HIS H H 1 8.58 0.02 . 1 . . . A 80 HIS H . 25449 1 921 . 1 1 83 83 HIS HA H 1 5.19 0.02 . 1 . . . A 80 HIS HA . 25449 1 922 . 1 1 83 83 HIS HB2 H 1 3.1 0.02 . 2 . . . A 80 HIS HB2 . 25449 1 923 . 1 1 83 83 HIS HB3 H 1 3 0.02 . 2 . . . A 80 HIS HB3 . 25449 1 924 . 1 1 83 83 HIS HD2 H 1 7.04 0.02 . 1 . . . A 80 HIS HD2 . 25449 1 925 . 1 1 83 83 HIS C C 13 173.6 0.3 . 1 . . . A 80 HIS C . 25449 1 926 . 1 1 83 83 HIS CA C 13 53.8 0.3 . 1 . . . A 80 HIS CA . 25449 1 927 . 1 1 83 83 HIS CB C 13 31.3 0.3 . 1 . . . A 80 HIS CB . 25449 1 928 . 1 1 83 83 HIS CD2 C 13 121 0.3 . 1 . . . A 80 HIS CD2 . 25449 1 929 . 1 1 83 83 HIS N N 15 119.9 0.3 . 1 . . . A 80 HIS N . 25449 1 930 . 1 1 84 84 VAL H H 1 8.65 0.02 . 1 . . . A 81 VAL H . 25449 1 931 . 1 1 84 84 VAL HA H 1 5.28 0.02 . 1 . . . A 81 VAL HA . 25449 1 932 . 1 1 84 84 VAL HB H 1 1.66 0.02 . 1 . . . A 81 VAL HB . 25449 1 933 . 1 1 84 84 VAL HG11 H 1 0.83 0.02 . 1 . . . A 81 VAL HG11 . 25449 1 934 . 1 1 84 84 VAL HG12 H 1 0.83 0.02 . 1 . . . A 81 VAL HG12 . 25449 1 935 . 1 1 84 84 VAL HG13 H 1 0.83 0.02 . 1 . . . A 81 VAL HG13 . 25449 1 936 . 1 1 84 84 VAL HG21 H 1 0.88 0.02 . 1 . . . A 81 VAL HG21 . 25449 1 937 . 1 1 84 84 VAL HG22 H 1 0.88 0.02 . 1 . . . A 81 VAL HG22 . 25449 1 938 . 1 1 84 84 VAL HG23 H 1 0.88 0.02 . 1 . . . A 81 VAL HG23 . 25449 1 939 . 1 1 84 84 VAL C C 13 173.6 0.3 . 1 . . . A 81 VAL C . 25449 1 940 . 1 1 84 84 VAL CA C 13 60.2 0.3 . 1 . . . A 81 VAL CA . 25449 1 941 . 1 1 84 84 VAL CB C 13 35 0.3 . 1 . . . A 81 VAL CB . 25449 1 942 . 1 1 84 84 VAL CG1 C 13 24 0.3 . 1 . . . A 81 VAL CG1 . 25449 1 943 . 1 1 84 84 VAL CG2 C 13 22.4 0.3 . 1 . . . A 81 VAL CG2 . 25449 1 944 . 1 1 84 84 VAL N N 15 123.8 0.3 . 1 . . . A 81 VAL N . 25449 1 945 . 1 1 85 85 ASN H H 1 8.89 0.02 . 1 . . . A 82 ASN H . 25449 1 946 . 1 1 85 85 ASN HA H 1 4.75 0.02 . 1 . . . A 82 ASN HA . 25449 1 947 . 1 1 85 85 ASN HB2 H 1 2.75 0.02 . 2 . . . A 82 ASN HB2 . 25449 1 948 . 1 1 85 85 ASN HB3 H 1 2.67 0.02 . 2 . . . A 82 ASN HB3 . 25449 1 949 . 1 1 85 85 ASN HD21 H 1 7.79 0.02 . 1 . . . A 82 ASN HD21 . 25449 1 950 . 1 1 85 85 ASN HD22 H 1 7.02 0.02 . 1 . . . A 82 ASN HD22 . 25449 1 951 . 1 1 85 85 ASN C C 13 174 0.3 . 1 . . . A 82 ASN C . 25449 1 952 . 1 1 85 85 ASN CA C 13 51.9 0.3 . 1 . . . A 82 ASN CA . 25449 1 953 . 1 1 85 85 ASN CB C 13 42.9 0.3 . 1 . . . A 82 ASN CB . 25449 1 954 . 1 1 85 85 ASN N N 15 121.1 0.3 . 1 . . . A 82 ASN N . 25449 1 955 . 1 1 85 85 ASN ND2 N 15 115 0.3 . 1 . . . A 82 ASN ND2 . 25449 1 956 . 1 1 86 86 TYR H H 1 8.48 0.02 . 1 . . . A 83 TYR H . 25449 1 957 . 1 1 86 86 TYR HA H 1 4.8 0.02 . 1 . . . A 83 TYR HA . 25449 1 958 . 1 1 86 86 TYR HB2 H 1 3.34 0.02 . 2 . . . A 83 TYR HB2 . 25449 1 959 . 1 1 86 86 TYR HB3 H 1 2.63 0.02 . 2 . . . A 83 TYR HB3 . 25449 1 960 . 1 1 86 86 TYR HD1 H 1 7.09 0.02 . 1 . . . A 83 TYR HD1 . 25449 1 961 . 1 1 86 86 TYR HE1 H 1 6.67 0.02 . 1 . . . A 83 TYR HE1 . 25449 1 962 . 1 1 86 86 TYR C C 13 177.1 0.3 . 1 . . . A 83 TYR C . 25449 1 963 . 1 1 86 86 TYR CA C 13 59.4 0.3 . 1 . . . A 83 TYR CA . 25449 1 964 . 1 1 86 86 TYR CB C 13 38.7 0.3 . 1 . . . A 83 TYR CB . 25449 1 965 . 1 1 86 86 TYR CD2 C 13 133.2 0.3 . 1 . . . A 83 TYR CD2 . 25449 1 966 . 1 1 86 86 TYR CE1 C 13 118.7 0.3 . 1 . . . A 83 TYR CE1 . 25449 1 967 . 1 1 86 86 TYR N N 15 120.4 0.3 . 1 . . . A 83 TYR N . 25449 1 968 . 1 1 87 87 SER H H 1 9.04 0.02 . 1 . . . A 84 SER H . 25449 1 969 . 1 1 87 87 SER HA H 1 4.52 0.02 . 1 . . . A 84 SER HA . 25449 1 970 . 1 1 87 87 SER HB2 H 1 3.8 0.02 . 1 . . . A 84 SER HB2 . 25449 1 971 . 1 1 87 87 SER C C 13 174.1 0.3 . 1 . . . A 84 SER C . 25449 1 972 . 1 1 87 87 SER CA C 13 57.7 0.3 . 1 . . . A 84 SER CA . 25449 1 973 . 1 1 87 87 SER CB C 13 64.3 0.3 . 1 . . . A 84 SER CB . 25449 1 974 . 1 1 87 87 SER N N 15 118 0.3 . 1 . . . A 84 SER N . 25449 1 975 . 1 1 88 88 LYS H H 1 8.41 0.02 . 1 . . . A 85 LYS H . 25449 1 976 . 1 1 88 88 LYS HA H 1 4.44 0.02 . 1 . . . A 85 LYS HA . 25449 1 977 . 1 1 88 88 LYS HB2 H 1 1.66 0.02 . 2 . . . A 85 LYS HB2 . 25449 1 978 . 1 1 88 88 LYS HB3 H 1 1.81 0.02 . 2 . . . A 85 LYS HB3 . 25449 1 979 . 1 1 88 88 LYS HG2 H 1 1.35 0.02 . 1 . . . A 85 LYS HG2 . 25449 1 980 . 1 1 88 88 LYS HD2 H 1 1.58 0.02 . 1 . . . A 85 LYS HD2 . 25449 1 981 . 1 1 88 88 LYS HE2 H 1 2.87 0.02 . 1 . . . A 85 LYS HE2 . 25449 1 982 . 1 1 88 88 LYS C C 13 175.6 0.3 . 1 . . . A 85 LYS C . 25449 1 983 . 1 1 88 88 LYS CA C 13 56.3 0.3 . 1 . . . A 85 LYS CA . 25449 1 984 . 1 1 88 88 LYS CB C 13 33.7 0.3 . 1 . . . A 85 LYS CB . 25449 1 985 . 1 1 88 88 LYS CG C 13 24.5 0.3 . 1 . . . A 85 LYS CG . 25449 1 986 . 1 1 88 88 LYS CD C 13 29.1 0.3 . 1 . . . A 85 LYS CD . 25449 1 987 . 1 1 88 88 LYS CE C 13 41.9 0.3 . 1 . . . A 85 LYS CE . 25449 1 988 . 1 1 88 88 LYS N N 15 125.3 0.3 . 1 . . . A 85 LYS N . 25449 1 989 . 1 1 89 89 THR H H 1 7.85 0.02 . 1 . . . A 86 THR H . 25449 1 990 . 1 1 89 89 THR HA H 1 4.02 0.02 . 1 . . . A 86 THR HA . 25449 1 991 . 1 1 89 89 THR HB H 1 4.11 0.02 . 1 . . . A 86 THR HB . 25449 1 992 . 1 1 89 89 THR HG21 H 1 1.03 0.02 . 1 . . . A 86 THR HG21 . 25449 1 993 . 1 1 89 89 THR HG22 H 1 1.03 0.02 . 1 . . . A 86 THR HG22 . 25449 1 994 . 1 1 89 89 THR HG23 H 1 1.03 0.02 . 1 . . . A 86 THR HG23 . 25449 1 995 . 1 1 89 89 THR CA C 13 63.2 0.3 . 1 . . . A 86 THR CA . 25449 1 996 . 1 1 89 89 THR CB C 13 70.6 0.3 . 1 . . . A 86 THR CB . 25449 1 997 . 1 1 89 89 THR CG2 C 13 22.1 0.3 . 1 . . . A 86 THR CG2 . 25449 1 998 . 1 1 89 89 THR N N 15 120.5 0.3 . 1 . . . A 86 THR N . 25449 1 stop_ save_