data_34726 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34726 _Entry.Title ; RNA binding induces an allosteric switch in Cyp33 to repress MLL1 mediated transcription regulation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-31 _Entry.Accession_date 2022-03-31 _Entry.Last_release_date 2022-04-06 _Entry.Original_release_date 2022-04-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 M. Blatter M. . . . 34726 2 F. Allain F. . . . 34726 3 C. Meylan C. . . . 34726 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EPIGENETIC . 34726 H3K4me3 . 34726 'HISTONE 3' . 34726 'MLL1 Transcription regulation' . 34726 'RNA BINDING PROTEIN-STRUCTURAL PROTEIN COMPLEX' . 34726 RRM . 34726 TRANSCRIPTION . 34726 'infant leukemia' . 34726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 34726 '15N chemical shifts' 91 34726 '1H chemical shifts' 722 34726 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-06-02 2022-03-31 update BMRB 'update entry citation' 34726 1 . . 2022-04-11 2022-03-31 original author 'original release' 34726 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZEX 'BMRB Entry Tracking System' 34726 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34726 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37075125 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 9 _Citation.Journal_issue 16 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD 0353 _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 eadf5330 _Citation.Page_last eadf5330 _Citation.Year 2023 _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 Markus Blatter M. . . . 34726 1 2 Charlotte Meylan C. . . . 34726 1 3 Antoine Clery A. . . . 34726 1 4 Roberto Giambruno R. . . . 34726 1 5 Yaroslav Nikolaev Y. . . . 34726 1 6 Michel Heidecker M. . . . 34726 1 7 'Jessica Arvindbhai' Solanki J. A. . . 34726 1 8 Manuel Diaz M. O. . . 34726 1 9 Davide Gabellini D. . . . 34726 1 10 'Frederic H-T' Allain F. H. . . 34726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34726 _Assembly.ID 1 _Assembly.Name 'Isoform 3 of Peptidyl-prolyl cis-trans isomerase E/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34726 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; AGHMATTKRVLYVGGLAEEV DDKVLHAAFIPFGDITDIQI PLDYETEKHRGFAFVEFELA EDAAAAIDNMNESELFGRTI RVNLAKPMRIKEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10349.721 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cyclophilin E' common 34726 1 Cyclophilin-33 common 34726 1 'PPIase E' common 34726 1 'Rotamase E' common 34726 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 . ALA . 34726 1 2 . GLY . 34726 1 3 . HIS . 34726 1 4 . MET . 34726 1 5 . ALA . 34726 1 6 . THR . 34726 1 7 . THR . 34726 1 8 . LYS . 34726 1 9 . ARG . 34726 1 10 . VAL . 34726 1 11 . LEU . 34726 1 12 . TYR . 34726 1 13 . VAL . 34726 1 14 . GLY . 34726 1 15 . GLY . 34726 1 16 . LEU . 34726 1 17 . ALA . 34726 1 18 . GLU . 34726 1 19 . GLU . 34726 1 20 . VAL . 34726 1 21 . ASP . 34726 1 22 . ASP . 34726 1 23 . LYS . 34726 1 24 . VAL . 34726 1 25 . LEU . 34726 1 26 . HIS . 34726 1 27 . ALA . 34726 1 28 . ALA . 34726 1 29 . PHE . 34726 1 30 . ILE . 34726 1 31 . PRO . 34726 1 32 . PHE . 34726 1 33 . GLY . 34726 1 34 . ASP . 34726 1 35 . ILE . 34726 1 36 . THR . 34726 1 37 . ASP . 34726 1 38 . ILE . 34726 1 39 . GLN . 34726 1 40 . ILE . 34726 1 41 . PRO . 34726 1 42 . LEU . 34726 1 43 . ASP . 34726 1 44 . TYR . 34726 1 45 . GLU . 34726 1 46 . THR . 34726 1 47 . GLU . 34726 1 48 . LYS . 34726 1 49 . HIS . 34726 1 50 . ARG . 34726 1 51 . GLY . 34726 1 52 . PHE . 34726 1 53 . ALA . 34726 1 54 . PHE . 34726 1 55 . VAL . 34726 1 56 . GLU . 34726 1 57 . PHE . 34726 1 58 . GLU . 34726 1 59 . LEU . 34726 1 60 . ALA . 34726 1 61 . GLU . 34726 1 62 . ASP . 34726 1 63 . ALA . 34726 1 64 . ALA . 34726 1 65 . ALA . 34726 1 66 . ALA . 34726 1 67 . ILE . 34726 1 68 . ASP . 34726 1 69 . ASN . 34726 1 70 . MET . 34726 1 71 . ASN . 34726 1 72 . GLU . 34726 1 73 . SER . 34726 1 74 . GLU . 34726 1 75 . LEU . 34726 1 76 . PHE . 34726 1 77 . GLY . 34726 1 78 . ARG . 34726 1 79 . THR . 34726 1 80 . ILE . 34726 1 81 . ARG . 34726 1 82 . VAL . 34726 1 83 . ASN . 34726 1 84 . LEU . 34726 1 85 . ALA . 34726 1 86 . LYS . 34726 1 87 . PRO . 34726 1 88 . MET . 34726 1 89 . ARG . 34726 1 90 . ILE . 34726 1 91 . LYS . 34726 1 92 . GLU . 34726 1 93 . GLY . 34726 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 . ALA 1 1 34726 1 . GLY 2 2 34726 1 . HIS 3 3 34726 1 . MET 4 4 34726 1 . ALA 5 5 34726 1 . THR 6 6 34726 1 . THR 7 7 34726 1 . LYS 8 8 34726 1 . ARG 9 9 34726 1 . VAL 10 10 34726 1 . LEU 11 11 34726 1 . TYR 12 12 34726 1 . VAL 13 13 34726 1 . GLY 14 14 34726 1 . GLY 15 15 34726 1 . LEU 16 16 34726 1 . ALA 17 17 34726 1 . GLU 18 18 34726 1 . GLU 19 19 34726 1 . VAL 20 20 34726 1 . ASP 21 21 34726 1 . ASP 22 22 34726 1 . LYS 23 23 34726 1 . VAL 24 24 34726 1 . LEU 25 25 34726 1 . HIS 26 26 34726 1 . ALA 27 27 34726 1 . ALA 28 28 34726 1 . PHE 29 29 34726 1 . ILE 30 30 34726 1 . PRO 31 31 34726 1 . PHE 32 32 34726 1 . GLY 33 33 34726 1 . ASP 34 34 34726 1 . ILE 35 35 34726 1 . THR 36 36 34726 1 . ASP 37 37 34726 1 . ILE 38 38 34726 1 . GLN 39 39 34726 1 . ILE 40 40 34726 1 . PRO 41 41 34726 1 . LEU 42 42 34726 1 . ASP 43 43 34726 1 . TYR 44 44 34726 1 . GLU 45 45 34726 1 . THR 46 46 34726 1 . GLU 47 47 34726 1 . LYS 48 48 34726 1 . HIS 49 49 34726 1 . ARG 50 50 34726 1 . GLY 51 51 34726 1 . PHE 52 52 34726 1 . ALA 53 53 34726 1 . PHE 54 54 34726 1 . VAL 55 55 34726 1 . GLU 56 56 34726 1 . PHE 57 57 34726 1 . GLU 58 58 34726 1 . LEU 59 59 34726 1 . ALA 60 60 34726 1 . GLU 61 61 34726 1 . ASP 62 62 34726 1 . ALA 63 63 34726 1 . ALA 64 64 34726 1 . ALA 65 65 34726 1 . ALA 66 66 34726 1 . ILE 67 67 34726 1 . ASP 68 68 34726 1 . ASN 69 69 34726 1 . MET 70 70 34726 1 . ASN 71 71 34726 1 . GLU 72 72 34726 1 . SER 73 73 34726 1 . GLU 74 74 34726 1 . LEU 75 75 34726 1 . PHE 76 76 34726 1 . GLY 77 77 34726 1 . ARG 78 78 34726 1 . THR 79 79 34726 1 . ILE 80 80 34726 1 . ARG 81 81 34726 1 . VAL 82 82 34726 1 . ASN 83 83 34726 1 . LEU 84 84 34726 1 . ALA 85 85 34726 1 . LYS 86 86 34726 1 . PRO 87 87 34726 1 . MET 88 88 34726 1 . ARG 89 89 34726 1 . ILE 90 90 34726 1 . LYS 91 91 34726 1 . GLU 92 92 34726 1 . GLY 93 93 34726 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34726 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UAAUGUCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2527.545 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . U . 34726 2 2 . A . 34726 2 3 . A . 34726 2 4 . U . 34726 2 5 . G . 34726 2 6 . U . 34726 2 7 . C . 34726 2 8 . G . 34726 2 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 . U 1 1 34726 2 . A 2 2 34726 2 . A 3 3 34726 2 . U 4 4 34726 2 . G 5 5 34726 2 . U 6 6 34726 2 . C 7 7 34726 2 . G 8 8 34726 2 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 34726 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PPIE, CYP33' . 34726 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34726 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 34726 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . PLASMID . . PTYB12 . . . 34726 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34726 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34726 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM RNA (5'-R(*UP*AP*AP*UP*GP*UP*CP*G)-3'), 40 mM sodium chloride, 40 mM sodium phosphate, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E' '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34726 1 2 "RNA (5'-R(*UP*AP*AP*UP*GP*UP*CP*G)-3')" 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 34726 1 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34726 1 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34726 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34726 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 1 mM RNA (5'-R(*UP*AP*AP*UP*GP*UP*CP*G)-3'), 40 mM sodium chloride, 40 mM sodium phosphate, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34726 2 2 "RNA (5'-R(*UP*AP*AP*UP*GP*UP*CP*G)-3')" 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 34726 2 3 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34726 2 4 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34726 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 34726 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 80 . mM 34726 1 pH 7 . pH 34726 1 pressure 1 . atm 34726 1 temperature 310.15 . K 34726 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34726 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version 10 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34726 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34726 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34726 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34726 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34726 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34726 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34726 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34726 3 'peak picking' . 34726 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34726 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34726 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34726 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 900 . . . 34726 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 34726 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 34726 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34726 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34726 1 10 '2D F2- FILTERED NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34726 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34726 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34726 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34726 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34726 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34726 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34726 1 2 '2D 1H-13C HSQC aliphatic' . . . 34726 1 3 '2D 1H-13C HSQC aromatic' . . . 34726 1 4 '3D 1H-15N NOESY' . . . 34726 1 5 '3D 1H-13C NOESY aliphatic' . . . 34726 1 6 '3D 1H-13C NOESY aromatic' . . . 34726 1 7 '3D F3-FILTERED- F2-EDITED 13C NOESY' . . . 34726 1 8 '2D 1H-13C HSQC aromatic' . . . 34726 1 9 '2D 1H-13C HSQC aliphatic' . . . 34726 1 10 '2D F2- FILTERED NOESY' . . . 34726 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ALA HA H 1 4.122 0.000 . . . . . . A -3 ALA HA . 34726 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.549 0.000 . . . . . . A -3 ALA HB1 . 34726 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.549 0.000 . . . . . . A -3 ALA HB2 . 34726 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.549 0.000 . . . . . . A -3 ALA HB3 . 34726 1 5 . 1 . 1 1 1 ALA CA C 13 52.041 0.000 . . . . . . A -3 ALA CA . 34726 1 6 . 1 . 1 1 1 ALA CB C 13 19.647 0.000 . . . . . . A -3 ALA CB . 34726 1 7 . 1 . 1 2 2 GLY HA2 H 1 4.009 0.000 . . . . . . A -2 GLY HA2 . 34726 1 8 . 1 . 1 2 2 GLY HA3 H 1 4.009 0.000 . . . . . . A -2 GLY HA3 . 34726 1 9 . 1 . 1 2 2 GLY CA C 13 45.220 0.000 . . . . . . A -2 GLY CA . 34726 1 10 . 1 . 1 3 3 HIS HA H 1 4.689 0.000 . . . . . . A -1 HIS HA . 34726 1 11 . 1 . 1 3 3 HIS HB2 H 1 3.163 0.000 . . . . . . A -1 HIS HB2 . 34726 1 12 . 1 . 1 3 3 HIS HB3 H 1 3.118 0.000 . . . . . . A -1 HIS HB3 . 34726 1 13 . 1 . 1 3 3 HIS HD2 H 1 7.077 0.000 . . . . . . A -1 HIS HD2 . 34726 1 14 . 1 . 1 3 3 HIS HE1 H 1 7.982 0.000 . . . . . . A -1 HIS HE1 . 34726 1 15 . 1 . 1 3 3 HIS CA C 13 56.404 0.000 . . . . . . A -1 HIS CA . 34726 1 16 . 1 . 1 3 3 HIS CB C 13 30.785 0.002 . . . . . . A -1 HIS CB . 34726 1 17 . 1 . 1 3 3 HIS CD2 C 13 119.932 0.000 . . . . . . A -1 HIS CD2 . 34726 1 18 . 1 . 1 3 3 HIS CE1 C 13 138.208 0.000 . . . . . . A -1 HIS CE1 . 34726 1 19 . 1 . 1 4 4 MET H H 1 8.385 0.000 . . . . . . A 1 MET H . 34726 1 20 . 1 . 1 4 4 MET HA H 1 4.510 0.000 . . . . . . A 1 MET HA . 34726 1 21 . 1 . 1 4 4 MET HB2 H 1 2.097 0.000 . . . . . . A 1 MET HB2 . 34726 1 22 . 1 . 1 4 4 MET HB3 H 1 2.020 0.000 . . . . . . A 1 MET HB3 . 34726 1 23 . 1 . 1 4 4 MET HG2 H 1 2.575 0.000 . . . . . . A 1 MET HG2 . 34726 1 24 . 1 . 1 4 4 MET HG3 H 1 2.493 0.000 . . . . . . A 1 MET HG3 . 34726 1 25 . 1 . 1 4 4 MET HE1 H 1 2.105 0.000 . . . . . . A 1 MET HE1 . 34726 1 26 . 1 . 1 4 4 MET HE2 H 1 2.105 0.000 . . . . . . A 1 MET HE2 . 34726 1 27 . 1 . 1 4 4 MET HE3 H 1 2.105 0.000 . . . . . . A 1 MET HE3 . 34726 1 28 . 1 . 1 4 4 MET CA C 13 55.535 0.000 . . . . . . A 1 MET CA . 34726 1 29 . 1 . 1 4 4 MET CB C 13 32.999 0.007 . . . . . . A 1 MET CB . 34726 1 30 . 1 . 1 4 4 MET CG C 13 32.016 0.004 . . . . . . A 1 MET CG . 34726 1 31 . 1 . 1 4 4 MET CE C 13 17.029 0.000 . . . . . . A 1 MET CE . 34726 1 32 . 1 . 1 4 4 MET N N 15 121.711 0.000 . . . . . . A 1 MET N . 34726 1 33 . 1 . 1 5 5 ALA H H 1 8.451 0.000 . . . . . . A 2 ALA H . 34726 1 34 . 1 . 1 5 5 ALA HA H 1 4.450 0.000 . . . . . . A 2 ALA HA . 34726 1 35 . 1 . 1 5 5 ALA HB1 H 1 1.480 0.000 . . . . . . A 2 ALA HB1 . 34726 1 36 . 1 . 1 5 5 ALA HB2 H 1 1.480 0.000 . . . . . . A 2 ALA HB2 . 34726 1 37 . 1 . 1 5 5 ALA HB3 H 1 1.480 0.000 . . . . . . A 2 ALA HB3 . 34726 1 38 . 1 . 1 5 5 ALA CA C 13 52.766 0.000 . . . . . . A 2 ALA CA . 34726 1 39 . 1 . 1 5 5 ALA CB C 13 19.346 0.000 . . . . . . A 2 ALA CB . 34726 1 40 . 1 . 1 5 5 ALA N N 15 125.342 0.000 . . . . . . A 2 ALA N . 34726 1 41 . 1 . 1 6 6 THR H H 1 8.183 0.000 . . . . . . A 3 THR H . 34726 1 42 . 1 . 1 6 6 THR HA H 1 4.463 0.000 . . . . . . A 3 THR HA . 34726 1 43 . 1 . 1 6 6 THR HB H 1 4.376 0.000 . . . . . . A 3 THR HB . 34726 1 44 . 1 . 1 6 6 THR HG21 H 1 1.294 0.000 . . . . . . A 3 THR HG21 . 34726 1 45 . 1 . 1 6 6 THR HG22 H 1 1.294 0.000 . . . . . . A 3 THR HG22 . 34726 1 46 . 1 . 1 6 6 THR HG23 H 1 1.294 0.000 . . . . . . A 3 THR HG23 . 34726 1 47 . 1 . 1 6 6 THR CA C 13 61.987 0.000 . . . . . . A 3 THR CA . 34726 1 48 . 1 . 1 6 6 THR CB C 13 69.555 0.000 . . . . . . A 3 THR CB . 34726 1 49 . 1 . 1 6 6 THR CG2 C 13 21.716 0.000 . . . . . . A 3 THR CG2 . 34726 1 50 . 1 . 1 6 6 THR N N 15 112.619 0.000 . . . . . . A 3 THR N . 34726 1 51 . 1 . 1 7 7 THR H H 1 8.023 0.000 . . . . . . A 4 THR H . 34726 1 52 . 1 . 1 7 7 THR HA H 1 4.483 0.000 . . . . . . A 4 THR HA . 34726 1 53 . 1 . 1 7 7 THR HB H 1 4.431 0.000 . . . . . . A 4 THR HB . 34726 1 54 . 1 . 1 7 7 THR HG21 H 1 1.340 0.000 . . . . . . A 4 THR HG21 . 34726 1 55 . 1 . 1 7 7 THR HG22 H 1 1.340 0.000 . . . . . . A 4 THR HG22 . 34726 1 56 . 1 . 1 7 7 THR HG23 H 1 1.340 0.000 . . . . . . A 4 THR HG23 . 34726 1 57 . 1 . 1 7 7 THR CA C 13 61.953 0.000 . . . . . . A 4 THR CA . 34726 1 58 . 1 . 1 7 7 THR CB C 13 70.141 0.000 . . . . . . A 4 THR CB . 34726 1 59 . 1 . 1 7 7 THR CG2 C 13 21.759 0.000 . . . . . . A 4 THR CG2 . 34726 1 60 . 1 . 1 7 7 THR N N 15 114.546 0.000 . . . . . . A 4 THR N . 34726 1 61 . 1 . 1 8 8 LYS H H 1 8.282 0.000 . . . . . . A 5 LYS H . 34726 1 62 . 1 . 1 8 8 LYS HA H 1 4.486 0.000 . . . . . . A 5 LYS HA . 34726 1 63 . 1 . 1 8 8 LYS HB2 H 1 2.098 0.000 . . . . . . A 5 LYS HB2 . 34726 1 64 . 1 . 1 8 8 LYS HB3 H 1 1.925 0.000 . . . . . . A 5 LYS HB3 . 34726 1 65 . 1 . 1 8 8 LYS HG2 H 1 1.558 0.000 . . . . . . A 5 LYS HG2 . 34726 1 66 . 1 . 1 8 8 LYS HG3 H 1 1.468 0.000 . . . . . . A 5 LYS HG3 . 34726 1 67 . 1 . 1 8 8 LYS HD2 H 1 1.773 0.000 . . . . . . A 5 LYS HD2 . 34726 1 68 . 1 . 1 8 8 LYS HD3 H 1 1.715 0.000 . . . . . . A 5 LYS HD3 . 34726 1 69 . 1 . 1 8 8 LYS HE2 H 1 3.030 0.000 . . . . . . A 5 LYS HE2 . 34726 1 70 . 1 . 1 8 8 LYS HE3 H 1 3.030 0.000 . . . . . . A 5 LYS HE3 . 34726 1 71 . 1 . 1 8 8 LYS CA C 13 57.078 0.000 . . . . . . A 5 LYS CA . 34726 1 72 . 1 . 1 8 8 LYS CB C 13 31.822 0.011 . . . . . . A 5 LYS CB . 34726 1 73 . 1 . 1 8 8 LYS CG C 13 25.366 0.004 . . . . . . A 5 LYS CG . 34726 1 74 . 1 . 1 8 8 LYS CD C 13 29.345 0.002 . . . . . . A 5 LYS CD . 34726 1 75 . 1 . 1 8 8 LYS CE C 13 42.209 0.000 . . . . . . A 5 LYS CE . 34726 1 76 . 1 . 1 8 8 LYS N N 15 119.545 0.000 . . . . . . A 5 LYS N . 34726 1 77 . 1 . 1 9 9 ARG H H 1 7.992 0.000 . . . . . . A 6 ARG H . 34726 1 78 . 1 . 1 9 9 ARG HA H 1 4.421 0.000 . . . . . . A 6 ARG HA . 34726 1 79 . 1 . 1 9 9 ARG HB2 H 1 2.317 0.000 . . . . . . A 6 ARG HB2 . 34726 1 80 . 1 . 1 9 9 ARG HB3 H 1 1.778 0.000 . . . . . . A 6 ARG HB3 . 34726 1 81 . 1 . 1 9 9 ARG HG2 H 1 1.722 0.000 . . . . . . A 6 ARG HG2 . 34726 1 82 . 1 . 1 9 9 ARG HG3 H 1 1.382 0.000 . . . . . . A 6 ARG HG3 . 34726 1 83 . 1 . 1 9 9 ARG HD2 H 1 3.425 0.000 . . . . . . A 6 ARG HD2 . 34726 1 84 . 1 . 1 9 9 ARG HD3 H 1 3.204 0.000 . . . . . . A 6 ARG HD3 . 34726 1 85 . 1 . 1 9 9 ARG CA C 13 56.338 0.000 . . . . . . A 6 ARG CA . 34726 1 86 . 1 . 1 9 9 ARG CB C 13 32.438 0.002 . . . . . . A 6 ARG CB . 34726 1 87 . 1 . 1 9 9 ARG CG C 13 27.591 0.001 . . . . . . A 6 ARG CG . 34726 1 88 . 1 . 1 9 9 ARG CD C 13 43.913 0.001 . . . . . . A 6 ARG CD . 34726 1 89 . 1 . 1 9 9 ARG N N 15 115.401 0.000 . . . . . . A 6 ARG N . 34726 1 90 . 1 . 1 10 10 VAL H H 1 7.757 0.000 . . . . . . A 7 VAL H . 34726 1 91 . 1 . 1 10 10 VAL HA H 1 4.787 0.000 . . . . . . A 7 VAL HA . 34726 1 92 . 1 . 1 10 10 VAL HB H 1 2.104 0.000 . . . . . . A 7 VAL HB . 34726 1 93 . 1 . 1 10 10 VAL HG11 H 1 0.998 0.000 . . . . . . A 7 VAL HG11 . 34726 1 94 . 1 . 1 10 10 VAL HG12 H 1 0.998 0.000 . . . . . . A 7 VAL HG12 . 34726 1 95 . 1 . 1 10 10 VAL HG13 H 1 0.998 0.000 . . . . . . A 7 VAL HG13 . 34726 1 96 . 1 . 1 10 10 VAL HG21 H 1 0.956 0.000 . . . . . . A 7 VAL HG21 . 34726 1 97 . 1 . 1 10 10 VAL HG22 H 1 0.956 0.000 . . . . . . A 7 VAL HG22 . 34726 1 98 . 1 . 1 10 10 VAL HG23 H 1 0.956 0.000 . . . . . . A 7 VAL HG23 . 34726 1 99 . 1 . 1 10 10 VAL CA C 13 61.629 0.000 . . . . . . A 7 VAL CA . 34726 1 100 . 1 . 1 10 10 VAL CB C 13 32.922 0.000 . . . . . . A 7 VAL CB . 34726 1 101 . 1 . 1 10 10 VAL CG1 C 13 21.660 0.000 . . . . . . A 7 VAL CG1 . 34726 1 102 . 1 . 1 10 10 VAL CG2 C 13 22.124 0.000 . . . . . . A 7 VAL CG2 . 34726 1 103 . 1 . 1 10 10 VAL N N 15 118.008 0.000 . . . . . . A 7 VAL N . 34726 1 104 . 1 . 1 11 11 LEU H H 1 9.701 0.000 . . . . . . A 8 LEU H . 34726 1 105 . 1 . 1 11 11 LEU HA H 1 5.041 0.000 . . . . . . A 8 LEU HA . 34726 1 106 . 1 . 1 11 11 LEU HB2 H 1 1.734 0.000 . . . . . . A 8 LEU HB2 . 34726 1 107 . 1 . 1 11 11 LEU HB3 H 1 1.357 0.000 . . . . . . A 8 LEU HB3 . 34726 1 108 . 1 . 1 11 11 LEU HG H 1 1.874 0.000 . . . . . . A 8 LEU HG . 34726 1 109 . 1 . 1 11 11 LEU HD11 H 1 0.780 0.000 . . . . . . A 8 LEU HD11 . 34726 1 110 . 1 . 1 11 11 LEU HD12 H 1 0.780 0.000 . . . . . . A 8 LEU HD12 . 34726 1 111 . 1 . 1 11 11 LEU HD13 H 1 0.780 0.000 . . . . . . A 8 LEU HD13 . 34726 1 112 . 1 . 1 11 11 LEU HD21 H 1 0.904 0.000 . . . . . . A 8 LEU HD21 . 34726 1 113 . 1 . 1 11 11 LEU HD22 H 1 0.904 0.000 . . . . . . A 8 LEU HD22 . 34726 1 114 . 1 . 1 11 11 LEU HD23 H 1 0.904 0.000 . . . . . . A 8 LEU HD23 . 34726 1 115 . 1 . 1 11 11 LEU CA C 13 53.511 0.000 . . . . . . A 8 LEU CA . 34726 1 116 . 1 . 1 11 11 LEU CB C 13 43.247 0.003 . . . . . . A 8 LEU CB . 34726 1 117 . 1 . 1 11 11 LEU CG C 13 27.023 0.000 . . . . . . A 8 LEU CG . 34726 1 118 . 1 . 1 11 11 LEU CD1 C 13 25.008 0.000 . . . . . . A 8 LEU CD1 . 34726 1 119 . 1 . 1 11 11 LEU CD2 C 13 26.569 0.000 . . . . . . A 8 LEU CD2 . 34726 1 120 . 1 . 1 11 11 LEU N N 15 127.684 0.000 . . . . . . A 8 LEU N . 34726 1 121 . 1 . 1 12 12 TYR H H 1 9.192 0.000 . . . . . . A 9 TYR H . 34726 1 122 . 1 . 1 12 12 TYR HA H 1 4.622 0.000 . . . . . . A 9 TYR HA . 34726 1 123 . 1 . 1 12 12 TYR HB2 H 1 2.725 0.000 . . . . . . A 9 TYR HB2 . 34726 1 124 . 1 . 1 12 12 TYR HB3 H 1 2.655 0.000 . . . . . . A 9 TYR HB3 . 34726 1 125 . 1 . 1 12 12 TYR HD1 H 1 6.539 0.000 . . . . . . A 9 TYR HD1 . 34726 1 126 . 1 . 1 12 12 TYR HD2 H 1 6.539 0.000 . . . . . . A 9 TYR HD2 . 34726 1 127 . 1 . 1 12 12 TYR HE1 H 1 6.106 0.000 . . . . . . A 9 TYR HE1 . 34726 1 128 . 1 . 1 12 12 TYR HE2 H 1 6.106 0.000 . . . . . . A 9 TYR HE2 . 34726 1 129 . 1 . 1 12 12 TYR CA C 13 57.397 0.000 . . . . . . A 9 TYR CA . 34726 1 130 . 1 . 1 12 12 TYR CB C 13 40.179 0.004 . . . . . . A 9 TYR CB . 34726 1 131 . 1 . 1 12 12 TYR CD1 C 13 132.976 0.000 . . . . . . A 9 TYR CD1 . 34726 1 132 . 1 . 1 12 12 TYR CE1 C 13 118.054 0.000 . . . . . . A 9 TYR CE1 . 34726 1 133 . 1 . 1 12 12 TYR N N 15 123.984 0.000 . . . . . . A 9 TYR N . 34726 1 134 . 1 . 1 13 13 VAL H H 1 8.076 0.000 . . . . . . A 10 VAL H . 34726 1 135 . 1 . 1 13 13 VAL HA H 1 4.761 0.000 . . . . . . A 10 VAL HA . 34726 1 136 . 1 . 1 13 13 VAL HB H 1 1.590 0.000 . . . . . . A 10 VAL HB . 34726 1 137 . 1 . 1 13 13 VAL HG11 H 1 0.823 0.000 . . . . . . A 10 VAL HG11 . 34726 1 138 . 1 . 1 13 13 VAL HG12 H 1 0.823 0.000 . . . . . . A 10 VAL HG12 . 34726 1 139 . 1 . 1 13 13 VAL HG13 H 1 0.823 0.000 . . . . . . A 10 VAL HG13 . 34726 1 140 . 1 . 1 13 13 VAL HG21 H 1 0.561 0.000 . . . . . . A 10 VAL HG21 . 34726 1 141 . 1 . 1 13 13 VAL HG22 H 1 0.561 0.000 . . . . . . A 10 VAL HG22 . 34726 1 142 . 1 . 1 13 13 VAL HG23 H 1 0.561 0.000 . . . . . . A 10 VAL HG23 . 34726 1 143 . 1 . 1 13 13 VAL CA C 13 59.831 0.000 . . . . . . A 10 VAL CA . 34726 1 144 . 1 . 1 13 13 VAL CB C 13 33.171 0.000 . . . . . . A 10 VAL CB . 34726 1 145 . 1 . 1 13 13 VAL CG1 C 13 22.111 0.000 . . . . . . A 10 VAL CG1 . 34726 1 146 . 1 . 1 13 13 VAL CG2 C 13 21.150 0.000 . . . . . . A 10 VAL CG2 . 34726 1 147 . 1 . 1 13 13 VAL N N 15 127.333 0.000 . . . . . . A 10 VAL N . 34726 1 148 . 1 . 1 14 14 GLY H H 1 9.184 0.000 . . . . . . A 11 GLY H . 34726 1 149 . 1 . 1 14 14 GLY HA2 H 1 4.797 0.000 . . . . . . A 11 GLY HA2 . 34726 1 150 . 1 . 1 14 14 GLY HA3 H 1 3.634 0.000 . . . . . . A 11 GLY HA3 . 34726 1 151 . 1 . 1 14 14 GLY CA C 13 43.270 0.090 . . . . . . A 11 GLY CA . 34726 1 152 . 1 . 1 14 14 GLY N N 15 112.428 0.000 . . . . . . A 11 GLY N . 34726 1 153 . 1 . 1 15 15 GLY H H 1 8.121 0.000 . . . . . . A 12 GLY H . 34726 1 154 . 1 . 1 15 15 GLY HA2 H 1 4.445 0.000 . . . . . . A 12 GLY HA2 . 34726 1 155 . 1 . 1 15 15 GLY HA3 H 1 3.826 0.000 . . . . . . A 12 GLY HA3 . 34726 1 156 . 1 . 1 15 15 GLY CA C 13 45.959 0.010 . . . . . . A 12 GLY CA . 34726 1 157 . 1 . 1 15 15 GLY N N 15 107.661 0.000 . . . . . . A 12 GLY N . 34726 1 158 . 1 . 1 16 16 LEU H H 1 7.926 0.000 . . . . . . A 13 LEU H . 34726 1 159 . 1 . 1 16 16 LEU HA H 1 4.107 0.000 . . . . . . A 13 LEU HA . 34726 1 160 . 1 . 1 16 16 LEU HB2 H 1 1.206 0.000 . . . . . . A 13 LEU HB2 . 34726 1 161 . 1 . 1 16 16 LEU HB3 H 1 0.936 0.000 . . . . . . A 13 LEU HB3 . 34726 1 162 . 1 . 1 16 16 LEU HG H 1 1.346 0.000 . . . . . . A 13 LEU HG . 34726 1 163 . 1 . 1 16 16 LEU HD11 H 1 0.572 0.000 . . . . . . A 13 LEU HD11 . 34726 1 164 . 1 . 1 16 16 LEU HD12 H 1 0.572 0.000 . . . . . . A 13 LEU HD12 . 34726 1 165 . 1 . 1 16 16 LEU HD13 H 1 0.572 0.000 . . . . . . A 13 LEU HD13 . 34726 1 166 . 1 . 1 16 16 LEU HD21 H 1 0.262 0.000 . . . . . . A 13 LEU HD21 . 34726 1 167 . 1 . 1 16 16 LEU HD22 H 1 0.262 0.000 . . . . . . A 13 LEU HD22 . 34726 1 168 . 1 . 1 16 16 LEU HD23 H 1 0.262 0.000 . . . . . . A 13 LEU HD23 . 34726 1 169 . 1 . 1 16 16 LEU CA C 13 53.982 0.000 . . . . . . A 13 LEU CA . 34726 1 170 . 1 . 1 16 16 LEU CB C 13 42.270 0.001 . . . . . . A 13 LEU CB . 34726 1 171 . 1 . 1 16 16 LEU CG C 13 26.302 0.000 . . . . . . A 13 LEU CG . 34726 1 172 . 1 . 1 16 16 LEU CD1 C 13 22.568 0.000 . . . . . . A 13 LEU CD1 . 34726 1 173 . 1 . 1 16 16 LEU CD2 C 13 25.553 0.000 . . . . . . A 13 LEU CD2 . 34726 1 174 . 1 . 1 16 16 LEU N N 15 116.392 0.000 . . . . . . A 13 LEU N . 34726 1 175 . 1 . 1 17 17 ALA H H 1 8.534 0.000 . . . . . . A 14 ALA H . 34726 1 176 . 1 . 1 17 17 ALA HA H 1 4.352 0.000 . . . . . . A 14 ALA HA . 34726 1 177 . 1 . 1 17 17 ALA HB1 H 1 1.723 0.000 . . . . . . A 14 ALA HB1 . 34726 1 178 . 1 . 1 17 17 ALA HB2 H 1 1.723 0.000 . . . . . . A 14 ALA HB2 . 34726 1 179 . 1 . 1 17 17 ALA HB3 H 1 1.723 0.000 . . . . . . A 14 ALA HB3 . 34726 1 180 . 1 . 1 17 17 ALA CA C 13 51.486 0.000 . . . . . . A 14 ALA CA . 34726 1 181 . 1 . 1 17 17 ALA CB C 13 19.782 0.000 . . . . . . A 14 ALA CB . 34726 1 182 . 1 . 1 17 17 ALA N N 15 126.572 0.000 . . . . . . A 14 ALA N . 34726 1 183 . 1 . 1 18 18 GLU H H 1 9.062 0.000 . . . . . . A 15 GLU H . 34726 1 184 . 1 . 1 18 18 GLU HA H 1 3.678 0.000 . . . . . . A 15 GLU HA . 34726 1 185 . 1 . 1 18 18 GLU HB2 H 1 2.039 0.000 . . . . . . A 15 GLU HB2 . 34726 1 186 . 1 . 1 18 18 GLU HB3 H 1 1.939 0.000 . . . . . . A 15 GLU HB3 . 34726 1 187 . 1 . 1 18 18 GLU HG2 H 1 2.286 0.000 . . . . . . A 15 GLU HG2 . 34726 1 188 . 1 . 1 18 18 GLU HG3 H 1 2.286 0.000 . . . . . . A 15 GLU HG3 . 34726 1 189 . 1 . 1 18 18 GLU CA C 13 60.110 0.000 . . . . . . A 15 GLU CA . 34726 1 190 . 1 . 1 18 18 GLU CB C 13 29.641 0.004 . . . . . . A 15 GLU CB . 34726 1 191 . 1 . 1 18 18 GLU CG C 13 36.691 0.000 . . . . . . A 15 GLU CG . 34726 1 192 . 1 . 1 18 18 GLU N N 15 122.718 0.000 . . . . . . A 15 GLU N . 34726 1 193 . 1 . 1 19 19 GLU H H 1 8.987 0.000 . . . . . . A 16 GLU H . 34726 1 194 . 1 . 1 19 19 GLU HA H 1 4.053 0.000 . . . . . . A 16 GLU HA . 34726 1 195 . 1 . 1 19 19 GLU HB2 H 1 1.847 0.000 . . . . . . A 16 GLU HB2 . 34726 1 196 . 1 . 1 19 19 GLU HB3 H 1 1.588 0.000 . . . . . . A 16 GLU HB3 . 34726 1 197 . 1 . 1 19 19 GLU HG2 H 1 2.306 0.000 . . . . . . A 16 GLU HG2 . 34726 1 198 . 1 . 1 19 19 GLU HG3 H 1 2.169 0.000 . . . . . . A 16 GLU HG3 . 34726 1 199 . 1 . 1 19 19 GLU CA C 13 58.097 0.000 . . . . . . A 16 GLU CA . 34726 1 200 . 1 . 1 19 19 GLU CB C 13 29.141 0.008 . . . . . . A 16 GLU CB . 34726 1 201 . 1 . 1 19 19 GLU CG C 13 37.024 0.006 . . . . . . A 16 GLU CG . 34726 1 202 . 1 . 1 19 19 GLU N N 15 114.323 0.000 . . . . . . A 16 GLU N . 34726 1 203 . 1 . 1 20 20 VAL H H 1 7.533 0.000 . . . . . . A 17 VAL H . 34726 1 204 . 1 . 1 20 20 VAL HA H 1 3.185 0.000 . . . . . . A 17 VAL HA . 34726 1 205 . 1 . 1 20 20 VAL HB H 1 2.120 0.000 . . . . . . A 17 VAL HB . 34726 1 206 . 1 . 1 20 20 VAL HG11 H 1 0.796 0.000 . . . . . . A 17 VAL HG11 . 34726 1 207 . 1 . 1 20 20 VAL HG12 H 1 0.796 0.000 . . . . . . A 17 VAL HG12 . 34726 1 208 . 1 . 1 20 20 VAL HG13 H 1 0.796 0.000 . . . . . . A 17 VAL HG13 . 34726 1 209 . 1 . 1 20 20 VAL HG21 H 1 0.871 0.000 . . . . . . A 17 VAL HG21 . 34726 1 210 . 1 . 1 20 20 VAL HG22 H 1 0.871 0.000 . . . . . . A 17 VAL HG22 . 34726 1 211 . 1 . 1 20 20 VAL HG23 H 1 0.871 0.000 . . . . . . A 17 VAL HG23 . 34726 1 212 . 1 . 1 20 20 VAL CA C 13 65.294 0.000 . . . . . . A 17 VAL CA . 34726 1 213 . 1 . 1 20 20 VAL CB C 13 30.728 0.000 . . . . . . A 17 VAL CB . 34726 1 214 . 1 . 1 20 20 VAL CG1 C 13 22.338 0.000 . . . . . . A 17 VAL CG1 . 34726 1 215 . 1 . 1 20 20 VAL CG2 C 13 23.278 0.000 . . . . . . A 17 VAL CG2 . 34726 1 216 . 1 . 1 20 20 VAL N N 15 119.250 0.000 . . . . . . A 17 VAL N . 34726 1 217 . 1 . 1 21 21 ASP H H 1 6.790 0.000 . . . . . . A 18 ASP H . 34726 1 218 . 1 . 1 21 21 ASP HA H 1 4.742 0.000 . . . . . . A 18 ASP HA . 34726 1 219 . 1 . 1 21 21 ASP HB2 H 1 3.243 0.000 . . . . . . A 18 ASP HB2 . 34726 1 220 . 1 . 1 21 21 ASP HB3 H 1 2.810 0.000 . . . . . . A 18 ASP HB3 . 34726 1 221 . 1 . 1 21 21 ASP CA C 13 51.533 0.000 . . . . . . A 18 ASP CA . 34726 1 222 . 1 . 1 21 21 ASP CB C 13 42.803 0.007 . . . . . . A 18 ASP CB . 34726 1 223 . 1 . 1 21 21 ASP N N 15 125.164 0.000 . . . . . . A 18 ASP N . 34726 1 224 . 1 . 1 22 22 ASP H H 1 8.810 0.000 . . . . . . A 19 ASP H . 34726 1 225 . 1 . 1 22 22 ASP HA H 1 3.988 0.000 . . . . . . A 19 ASP HA . 34726 1 226 . 1 . 1 22 22 ASP HB2 H 1 2.662 0.000 . . . . . . A 19 ASP HB2 . 34726 1 227 . 1 . 1 22 22 ASP HB3 H 1 2.662 0.000 . . . . . . A 19 ASP HB3 . 34726 1 228 . 1 . 1 22 22 ASP CA C 13 57.567 0.000 . . . . . . A 19 ASP CA . 34726 1 229 . 1 . 1 22 22 ASP CB C 13 39.270 0.000 . . . . . . A 19 ASP CB . 34726 1 230 . 1 . 1 22 22 ASP N N 15 115.967 0.000 . . . . . . A 19 ASP N . 34726 1 231 . 1 . 1 23 23 LYS H H 1 7.685 0.000 . . . . . . A 20 LYS H . 34726 1 232 . 1 . 1 23 23 LYS HA H 1 4.155 0.000 . . . . . . A 20 LYS HA . 34726 1 233 . 1 . 1 23 23 LYS HB2 H 1 2.195 0.000 . . . . . . A 20 LYS HB2 . 34726 1 234 . 1 . 1 23 23 LYS HB3 H 1 1.954 0.000 . . . . . . A 20 LYS HB3 . 34726 1 235 . 1 . 1 23 23 LYS HG2 H 1 1.603 0.000 . . . . . . A 20 LYS HG2 . 34726 1 236 . 1 . 1 23 23 LYS HG3 H 1 1.511 0.000 . . . . . . A 20 LYS HG3 . 34726 1 237 . 1 . 1 23 23 LYS HD2 H 1 1.753 0.000 . . . . . . A 20 LYS HD2 . 34726 1 238 . 1 . 1 23 23 LYS HD3 H 1 1.753 0.000 . . . . . . A 20 LYS HD3 . 34726 1 239 . 1 . 1 23 23 LYS HE2 H 1 3.093 0.000 . . . . . . A 20 LYS HE2 . 34726 1 240 . 1 . 1 23 23 LYS HE3 H 1 3.093 0.000 . . . . . . A 20 LYS HE3 . 34726 1 241 . 1 . 1 23 23 LYS CA C 13 59.385 0.000 . . . . . . A 20 LYS CA . 34726 1 242 . 1 . 1 23 23 LYS CB C 13 31.542 0.010 . . . . . . A 20 LYS CB . 34726 1 243 . 1 . 1 23 23 LYS CG C 13 25.121 0.009 . . . . . . A 20 LYS CG . 34726 1 244 . 1 . 1 23 23 LYS CD C 13 28.682 0.000 . . . . . . A 20 LYS CD . 34726 1 245 . 1 . 1 23 23 LYS CE C 13 42.063 0.000 . . . . . . A 20 LYS CE . 34726 1 246 . 1 . 1 23 23 LYS N N 15 121.492 0.000 . . . . . . A 20 LYS N . 34726 1 247 . 1 . 1 24 24 VAL H H 1 8.323 0.000 . . . . . . A 21 VAL H . 34726 1 248 . 1 . 1 24 24 VAL HA H 1 3.874 0.000 . . . . . . A 21 VAL HA . 34726 1 249 . 1 . 1 24 24 VAL HB H 1 2.251 0.000 . . . . . . A 21 VAL HB . 34726 1 250 . 1 . 1 24 24 VAL HG11 H 1 1.034 0.000 . . . . . . A 21 VAL HG11 . 34726 1 251 . 1 . 1 24 24 VAL HG12 H 1 1.034 0.000 . . . . . . A 21 VAL HG12 . 34726 1 252 . 1 . 1 24 24 VAL HG13 H 1 1.034 0.000 . . . . . . A 21 VAL HG13 . 34726 1 253 . 1 . 1 24 24 VAL HG21 H 1 1.326 0.000 . . . . . . A 21 VAL HG21 . 34726 1 254 . 1 . 1 24 24 VAL HG22 H 1 1.326 0.000 . . . . . . A 21 VAL HG22 . 34726 1 255 . 1 . 1 24 24 VAL HG23 H 1 1.326 0.000 . . . . . . A 21 VAL HG23 . 34726 1 256 . 1 . 1 24 24 VAL CA C 13 65.971 0.000 . . . . . . A 21 VAL CA . 34726 1 257 . 1 . 1 24 24 VAL CB C 13 32.489 0.000 . . . . . . A 21 VAL CB . 34726 1 258 . 1 . 1 24 24 VAL CG1 C 13 22.457 0.000 . . . . . . A 21 VAL CG1 . 34726 1 259 . 1 . 1 24 24 VAL CG2 C 13 22.492 0.000 . . . . . . A 21 VAL CG2 . 34726 1 260 . 1 . 1 24 24 VAL N N 15 122.336 0.000 . . . . . . A 21 VAL N . 34726 1 261 . 1 . 1 25 25 LEU H H 1 8.061 0.000 . . . . . . A 22 LEU H . 34726 1 262 . 1 . 1 25 25 LEU HA H 1 4.131 0.000 . . . . . . A 22 LEU HA . 34726 1 263 . 1 . 1 25 25 LEU HB2 H 1 1.803 0.000 . . . . . . A 22 LEU HB2 . 34726 1 264 . 1 . 1 25 25 LEU HB3 H 1 1.316 0.000 . . . . . . A 22 LEU HB3 . 34726 1 265 . 1 . 1 25 25 LEU HG H 1 1.589 0.000 . . . . . . A 22 LEU HG . 34726 1 266 . 1 . 1 25 25 LEU HD11 H 1 0.660 0.000 . . . . . . A 22 LEU HD11 . 34726 1 267 . 1 . 1 25 25 LEU HD12 H 1 0.660 0.000 . . . . . . A 22 LEU HD12 . 34726 1 268 . 1 . 1 25 25 LEU HD13 H 1 0.660 0.000 . . . . . . A 22 LEU HD13 . 34726 1 269 . 1 . 1 25 25 LEU HD21 H 1 0.507 0.000 . . . . . . A 22 LEU HD21 . 34726 1 270 . 1 . 1 25 25 LEU HD22 H 1 0.507 0.000 . . . . . . A 22 LEU HD22 . 34726 1 271 . 1 . 1 25 25 LEU HD23 H 1 0.507 0.000 . . . . . . A 22 LEU HD23 . 34726 1 272 . 1 . 1 25 25 LEU CA C 13 58.003 0.000 . . . . . . A 22 LEU CA . 34726 1 273 . 1 . 1 25 25 LEU CB C 13 42.614 0.002 . . . . . . A 22 LEU CB . 34726 1 274 . 1 . 1 25 25 LEU CG C 13 26.481 0.000 . . . . . . A 22 LEU CG . 34726 1 275 . 1 . 1 25 25 LEU CD1 C 13 23.788 0.000 . . . . . . A 22 LEU CD1 . 34726 1 276 . 1 . 1 25 25 LEU CD2 C 13 26.080 0.000 . . . . . . A 22 LEU CD2 . 34726 1 277 . 1 . 1 25 25 LEU N N 15 118.626 0.000 . . . . . . A 22 LEU N . 34726 1 278 . 1 . 1 26 26 HIS H H 1 8.651 0.000 . . . . . . A 23 HIS H . 34726 1 279 . 1 . 1 26 26 HIS HA H 1 3.891 0.000 . . . . . . A 23 HIS HA . 34726 1 280 . 1 . 1 26 26 HIS HB2 H 1 3.306 0.000 . . . . . . A 23 HIS HB2 . 34726 1 281 . 1 . 1 26 26 HIS HB3 H 1 3.224 0.000 . . . . . . A 23 HIS HB3 . 34726 1 282 . 1 . 1 26 26 HIS HD2 H 1 6.961 0.000 . . . . . . A 23 HIS HD2 . 34726 1 283 . 1 . 1 26 26 HIS HE1 H 1 7.965 0.000 . . . . . . A 23 HIS HE1 . 34726 1 284 . 1 . 1 26 26 HIS CA C 13 61.867 0.000 . . . . . . A 23 HIS CA . 34726 1 285 . 1 . 1 26 26 HIS CB C 13 30.415 0.003 . . . . . . A 23 HIS CB . 34726 1 286 . 1 . 1 26 26 HIS CD2 C 13 118.847 0.000 . . . . . . A 23 HIS CD2 . 34726 1 287 . 1 . 1 26 26 HIS CE1 C 13 138.019 0.000 . . . . . . A 23 HIS CE1 . 34726 1 288 . 1 . 1 26 26 HIS N N 15 119.128 0.000 . . . . . . A 23 HIS N . 34726 1 289 . 1 . 1 27 27 ALA H H 1 7.851 0.000 . . . . . . A 24 ALA H . 34726 1 290 . 1 . 1 27 27 ALA HA H 1 4.198 0.000 . . . . . . A 24 ALA HA . 34726 1 291 . 1 . 1 27 27 ALA HB1 H 1 1.635 0.000 . . . . . . A 24 ALA HB1 . 34726 1 292 . 1 . 1 27 27 ALA HB2 H 1 1.635 0.000 . . . . . . A 24 ALA HB2 . 34726 1 293 . 1 . 1 27 27 ALA HB3 H 1 1.635 0.000 . . . . . . A 24 ALA HB3 . 34726 1 294 . 1 . 1 27 27 ALA CA C 13 54.871 0.000 . . . . . . A 24 ALA CA . 34726 1 295 . 1 . 1 27 27 ALA CB C 13 18.220 0.000 . . . . . . A 24 ALA CB . 34726 1 296 . 1 . 1 27 27 ALA N N 15 117.935 0.000 . . . . . . A 24 ALA N . 34726 1 297 . 1 . 1 28 28 ALA H H 1 7.923 0.000 . . . . . . A 25 ALA H . 34726 1 298 . 1 . 1 28 28 ALA HA H 1 4.221 0.000 . . . . . . A 25 ALA HA . 34726 1 299 . 1 . 1 28 28 ALA HB1 H 1 1.412 0.000 . . . . . . A 25 ALA HB1 . 34726 1 300 . 1 . 1 28 28 ALA HB2 H 1 1.412 0.000 . . . . . . A 25 ALA HB2 . 34726 1 301 . 1 . 1 28 28 ALA HB3 H 1 1.412 0.000 . . . . . . A 25 ALA HB3 . 34726 1 302 . 1 . 1 28 28 ALA CA C 13 53.644 0.000 . . . . . . A 25 ALA CA . 34726 1 303 . 1 . 1 28 28 ALA CB C 13 18.729 0.000 . . . . . . A 25 ALA CB . 34726 1 304 . 1 . 1 28 28 ALA N N 15 117.369 0.000 . . . . . . A 25 ALA N . 34726 1 305 . 1 . 1 29 29 PHE H H 1 7.874 0.000 . . . . . . A 26 PHE H . 34726 1 306 . 1 . 1 29 29 PHE HA H 1 5.047 0.000 . . . . . . A 26 PHE HA . 34726 1 307 . 1 . 1 29 29 PHE HB2 H 1 3.482 0.000 . . . . . . A 26 PHE HB2 . 34726 1 308 . 1 . 1 29 29 PHE HB3 H 1 2.928 0.000 . . . . . . A 26 PHE HB3 . 34726 1 309 . 1 . 1 29 29 PHE HD1 H 1 7.747 0.000 . . . . . . A 26 PHE HD1 . 34726 1 310 . 1 . 1 29 29 PHE HD2 H 1 7.747 0.000 . . . . . . A 26 PHE HD2 . 34726 1 311 . 1 . 1 29 29 PHE HE1 H 1 6.965 0.000 . . . . . . A 26 PHE HE1 . 34726 1 312 . 1 . 1 29 29 PHE HE2 H 1 6.965 0.000 . . . . . . A 26 PHE HE2 . 34726 1 313 . 1 . 1 29 29 PHE HZ H 1 6.968 0.000 . . . . . . A 26 PHE HZ . 34726 1 314 . 1 . 1 29 29 PHE CA C 13 60.374 0.000 . . . . . . A 26 PHE CA . 34726 1 315 . 1 . 1 29 29 PHE CB C 13 40.695 0.001 . . . . . . A 26 PHE CB . 34726 1 316 . 1 . 1 29 29 PHE CD1 C 13 131.771 0.000 . . . . . . A 26 PHE CD1 . 34726 1 317 . 1 . 1 29 29 PHE CE1 C 13 130.291 0.000 . . . . . . A 26 PHE CE1 . 34726 1 318 . 1 . 1 29 29 PHE CZ C 13 128.804 0.000 . . . . . . A 26 PHE CZ . 34726 1 319 . 1 . 1 29 29 PHE N N 15 112.217 0.000 . . . . . . A 26 PHE N . 34726 1 320 . 1 . 1 30 30 ILE H H 1 8.641 0.000 . . . . . . A 27 ILE H . 34726 1 321 . 1 . 1 30 30 ILE HA H 1 4.763 0.000 . . . . . . A 27 ILE HA . 34726 1 322 . 1 . 1 30 30 ILE HB H 1 1.670 0.000 . . . . . . A 27 ILE HB . 34726 1 323 . 1 . 1 30 30 ILE HG12 H 1 1.490 0.000 . . . . . . A 27 ILE HG12 . 34726 1 324 . 1 . 1 30 30 ILE HG13 H 1 1.396 0.000 . . . . . . A 27 ILE HG13 . 34726 1 325 . 1 . 1 30 30 ILE HG21 H 1 1.009 0.000 . . . . . . A 27 ILE HG21 . 34726 1 326 . 1 . 1 30 30 ILE HG22 H 1 1.009 0.000 . . . . . . A 27 ILE HG22 . 34726 1 327 . 1 . 1 30 30 ILE HG23 H 1 1.009 0.000 . . . . . . A 27 ILE HG23 . 34726 1 328 . 1 . 1 30 30 ILE HD11 H 1 1.143 0.000 . . . . . . A 27 ILE HD11 . 34726 1 329 . 1 . 1 30 30 ILE HD12 H 1 1.143 0.000 . . . . . . A 27 ILE HD12 . 34726 1 330 . 1 . 1 30 30 ILE HD13 H 1 1.143 0.000 . . . . . . A 27 ILE HD13 . 34726 1 331 . 1 . 1 30 30 ILE CA C 13 60.903 0.000 . . . . . . A 27 ILE CA . 34726 1 332 . 1 . 1 30 30 ILE CB C 13 38.468 0.000 . . . . . . A 27 ILE CB . 34726 1 333 . 1 . 1 30 30 ILE CG1 C 13 29.673 0.008 . . . . . . A 27 ILE CG1 . 34726 1 334 . 1 . 1 30 30 ILE CG2 C 13 19.460 0.000 . . . . . . A 27 ILE CG2 . 34726 1 335 . 1 . 1 30 30 ILE CD1 C 13 14.586 0.000 . . . . . . A 27 ILE CD1 . 34726 1 336 . 1 . 1 30 30 ILE N N 15 123.357 0.000 . . . . . . A 27 ILE N . 34726 1 337 . 1 . 1 31 31 PRO HA H 1 4.187 0.000 . . . . . . A 28 PRO HA . 34726 1 338 . 1 . 1 31 31 PRO HB2 H 1 2.006 0.000 . . . . . . A 28 PRO HB2 . 34726 1 339 . 1 . 1 31 31 PRO HB3 H 1 0.483 0.000 . . . . . . A 28 PRO HB3 . 34726 1 340 . 1 . 1 31 31 PRO HG2 H 1 1.707 0.000 . . . . . . A 28 PRO HG2 . 34726 1 341 . 1 . 1 31 31 PRO HG3 H 1 1.707 0.000 . . . . . . A 28 PRO HG3 . 34726 1 342 . 1 . 1 31 31 PRO HD2 H 1 3.840 0.000 . . . . . . A 28 PRO HD2 . 34726 1 343 . 1 . 1 31 31 PRO HD3 H 1 2.996 0.000 . . . . . . A 28 PRO HD3 . 34726 1 344 . 1 . 1 31 31 PRO CA C 13 65.400 0.000 . . . . . . A 28 PRO CA . 34726 1 345 . 1 . 1 31 31 PRO CB C 13 30.821 0.003 . . . . . . A 28 PRO CB . 34726 1 346 . 1 . 1 31 31 PRO CG C 13 28.359 0.000 . . . . . . A 28 PRO CG . 34726 1 347 . 1 . 1 31 31 PRO CD C 13 52.203 0.000 . . . . . . A 28 PRO CD . 34726 1 348 . 1 . 1 32 32 PHE H H 1 7.614 0.000 . . . . . . A 29 PHE H . 34726 1 349 . 1 . 1 32 32 PHE HA H 1 4.254 0.000 . . . . . . A 29 PHE HA . 34726 1 350 . 1 . 1 32 32 PHE HB2 H 1 3.376 0.000 . . . . . . A 29 PHE HB2 . 34726 1 351 . 1 . 1 32 32 PHE HB3 H 1 3.072 0.000 . . . . . . A 29 PHE HB3 . 34726 1 352 . 1 . 1 32 32 PHE HD1 H 1 7.614 0.000 . . . . . . A 29 PHE HD1 . 34726 1 353 . 1 . 1 32 32 PHE HD2 H 1 7.614 0.000 . . . . . . A 29 PHE HD2 . 34726 1 354 . 1 . 1 32 32 PHE HE1 H 1 7.405 0.000 . . . . . . A 29 PHE HE1 . 34726 1 355 . 1 . 1 32 32 PHE HE2 H 1 7.405 0.000 . . . . . . A 29 PHE HE2 . 34726 1 356 . 1 . 1 32 32 PHE HZ H 1 7.245 0.000 . . . . . . A 29 PHE HZ . 34726 1 357 . 1 . 1 32 32 PHE CA C 13 59.625 0.000 . . . . . . A 29 PHE CA . 34726 1 358 . 1 . 1 32 32 PHE CB C 13 38.873 0.003 . . . . . . A 29 PHE CB . 34726 1 359 . 1 . 1 32 32 PHE CD1 C 13 131.530 0.000 . . . . . . A 29 PHE CD1 . 34726 1 360 . 1 . 1 32 32 PHE CE1 C 13 131.698 0.000 . . . . . . A 29 PHE CE1 . 34726 1 361 . 1 . 1 32 32 PHE CZ C 13 131.498 0.000 . . . . . . A 29 PHE CZ . 34726 1 362 . 1 . 1 32 32 PHE N N 15 112.212 0.000 . . . . . . A 29 PHE N . 34726 1 363 . 1 . 1 33 33 GLY H H 1 7.635 0.000 . . . . . . A 30 GLY H . 34726 1 364 . 1 . 1 33 33 GLY HA2 H 1 5.031 0.000 . . . . . . A 30 GLY HA2 . 34726 1 365 . 1 . 1 33 33 GLY HA3 H 1 3.828 0.000 . . . . . . A 30 GLY HA3 . 34726 1 366 . 1 . 1 33 33 GLY CA C 13 44.439 0.017 . . . . . . A 30 GLY CA . 34726 1 367 . 1 . 1 33 33 GLY N N 15 106.057 0.000 . . . . . . A 30 GLY N . 34726 1 368 . 1 . 1 34 34 ASP H H 1 8.022 0.000 . . . . . . A 31 ASP H . 34726 1 369 . 1 . 1 34 34 ASP HA H 1 4.546 0.000 . . . . . . A 31 ASP HA . 34726 1 370 . 1 . 1 34 34 ASP HB2 H 1 2.674 0.000 . . . . . . A 31 ASP HB2 . 34726 1 371 . 1 . 1 34 34 ASP HB3 H 1 2.674 0.000 . . . . . . A 31 ASP HB3 . 34726 1 372 . 1 . 1 34 34 ASP CA C 13 56.493 0.000 . . . . . . A 31 ASP CA . 34726 1 373 . 1 . 1 34 34 ASP CB C 13 41.210 0.000 . . . . . . A 31 ASP CB . 34726 1 374 . 1 . 1 34 34 ASP N N 15 114.489 0.000 . . . . . . A 31 ASP N . 34726 1 375 . 1 . 1 35 35 ILE H H 1 7.512 0.000 . . . . . . A 32 ILE H . 34726 1 376 . 1 . 1 35 35 ILE HA H 1 4.194 0.000 . . . . . . A 32 ILE HA . 34726 1 377 . 1 . 1 35 35 ILE HB H 1 1.440 0.000 . . . . . . A 32 ILE HB . 34726 1 378 . 1 . 1 35 35 ILE HG12 H 1 1.711 0.000 . . . . . . A 32 ILE HG12 . 34726 1 379 . 1 . 1 35 35 ILE HG13 H 1 -0.147 0.000 . . . . . . A 32 ILE HG13 . 34726 1 380 . 1 . 1 35 35 ILE HG21 H 1 0.696 0.000 . . . . . . A 32 ILE HG21 . 34726 1 381 . 1 . 1 35 35 ILE HG22 H 1 0.696 0.000 . . . . . . A 32 ILE HG22 . 34726 1 382 . 1 . 1 35 35 ILE HG23 H 1 0.696 0.000 . . . . . . A 32 ILE HG23 . 34726 1 383 . 1 . 1 35 35 ILE HD11 H 1 0.431 0.000 . . . . . . A 32 ILE HD11 . 34726 1 384 . 1 . 1 35 35 ILE HD12 H 1 0.431 0.000 . . . . . . A 32 ILE HD12 . 34726 1 385 . 1 . 1 35 35 ILE HD13 H 1 0.431 0.000 . . . . . . A 32 ILE HD13 . 34726 1 386 . 1 . 1 35 35 ILE CA C 13 60.679 0.000 . . . . . . A 32 ILE CA . 34726 1 387 . 1 . 1 35 35 ILE CB C 13 41.668 0.000 . . . . . . A 32 ILE CB . 34726 1 388 . 1 . 1 35 35 ILE CG1 C 13 27.596 0.008 . . . . . . A 32 ILE CG1 . 34726 1 389 . 1 . 1 35 35 ILE CG2 C 13 17.251 0.000 . . . . . . A 32 ILE CG2 . 34726 1 390 . 1 . 1 35 35 ILE CD1 C 13 14.491 0.000 . . . . . . A 32 ILE CD1 . 34726 1 391 . 1 . 1 35 35 ILE N N 15 124.509 0.000 . . . . . . A 32 ILE N . 34726 1 392 . 1 . 1 36 36 THR H H 1 9.080 0.000 . . . . . . A 33 THR H . 34726 1 393 . 1 . 1 36 36 THR HA H 1 4.294 0.000 . . . . . . A 33 THR HA . 34726 1 394 . 1 . 1 36 36 THR HB H 1 4.009 0.000 . . . . . . A 33 THR HB . 34726 1 395 . 1 . 1 36 36 THR HG21 H 1 1.113 0.000 . . . . . . A 33 THR HG21 . 34726 1 396 . 1 . 1 36 36 THR HG22 H 1 1.113 0.000 . . . . . . A 33 THR HG22 . 34726 1 397 . 1 . 1 36 36 THR HG23 H 1 1.113 0.000 . . . . . . A 33 THR HG23 . 34726 1 398 . 1 . 1 36 36 THR CA C 13 63.228 0.000 . . . . . . A 33 THR CA . 34726 1 399 . 1 . 1 36 36 THR CB C 13 68.698 0.000 . . . . . . A 33 THR CB . 34726 1 400 . 1 . 1 36 36 THR CG2 C 13 22.718 0.000 . . . . . . A 33 THR CG2 . 34726 1 401 . 1 . 1 36 36 THR N N 15 121.849 0.000 . . . . . . A 33 THR N . 34726 1 402 . 1 . 1 37 37 ASP H H 1 7.599 0.000 . . . . . . A 34 ASP H . 34726 1 403 . 1 . 1 37 37 ASP HA H 1 4.823 0.000 . . . . . . A 34 ASP HA . 34726 1 404 . 1 . 1 37 37 ASP HB2 H 1 2.781 0.000 . . . . . . A 34 ASP HB2 . 34726 1 405 . 1 . 1 37 37 ASP HB3 H 1 2.445 0.000 . . . . . . A 34 ASP HB3 . 34726 1 406 . 1 . 1 37 37 ASP CA C 13 55.064 0.000 . . . . . . A 34 ASP CA . 34726 1 407 . 1 . 1 37 37 ASP CB C 13 44.267 0.003 . . . . . . A 34 ASP CB . 34726 1 408 . 1 . 1 37 37 ASP N N 15 119.860 0.000 . . . . . . A 34 ASP N . 34726 1 409 . 1 . 1 38 38 ILE H H 1 7.969 0.000 . . . . . . A 35 ILE H . 34726 1 410 . 1 . 1 38 38 ILE HA H 1 4.723 0.000 . . . . . . A 35 ILE HA . 34726 1 411 . 1 . 1 38 38 ILE HB H 1 1.745 0.000 . . . . . . A 35 ILE HB . 34726 1 412 . 1 . 1 38 38 ILE HG12 H 1 1.750 0.000 . . . . . . A 35 ILE HG12 . 34726 1 413 . 1 . 1 38 38 ILE HG13 H 1 0.965 0.000 . . . . . . A 35 ILE HG13 . 34726 1 414 . 1 . 1 38 38 ILE HG21 H 1 0.738 0.000 . . . . . . A 35 ILE HG21 . 34726 1 415 . 1 . 1 38 38 ILE HG22 H 1 0.738 0.000 . . . . . . A 35 ILE HG22 . 34726 1 416 . 1 . 1 38 38 ILE HG23 H 1 0.738 0.000 . . . . . . A 35 ILE HG23 . 34726 1 417 . 1 . 1 38 38 ILE HD11 H 1 0.967 0.000 . . . . . . A 35 ILE HD11 . 34726 1 418 . 1 . 1 38 38 ILE HD12 H 1 0.967 0.000 . . . . . . A 35 ILE HD12 . 34726 1 419 . 1 . 1 38 38 ILE HD13 H 1 0.967 0.000 . . . . . . A 35 ILE HD13 . 34726 1 420 . 1 . 1 38 38 ILE CA C 13 61.346 0.000 . . . . . . A 35 ILE CA . 34726 1 421 . 1 . 1 38 38 ILE CB C 13 41.590 0.000 . . . . . . A 35 ILE CB . 34726 1 422 . 1 . 1 38 38 ILE CG1 C 13 28.696 0.025 . . . . . . A 35 ILE CG1 . 34726 1 423 . 1 . 1 38 38 ILE CG2 C 13 17.075 0.000 . . . . . . A 35 ILE CG2 . 34726 1 424 . 1 . 1 38 38 ILE CD1 C 13 13.701 0.000 . . . . . . A 35 ILE CD1 . 34726 1 425 . 1 . 1 38 38 ILE N N 15 122.742 0.000 . . . . . . A 35 ILE N . 34726 1 426 . 1 . 1 39 39 GLN H H 1 9.030 0.000 . . . . . . A 36 GLN H . 34726 1 427 . 1 . 1 39 39 GLN HA H 1 4.740 0.000 . . . . . . A 36 GLN HA . 34726 1 428 . 1 . 1 39 39 GLN HB2 H 1 2.233 0.000 . . . . . . A 36 GLN HB2 . 34726 1 429 . 1 . 1 39 39 GLN HB3 H 1 2.040 0.000 . . . . . . A 36 GLN HB3 . 34726 1 430 . 1 . 1 39 39 GLN HG2 H 1 2.448 0.000 . . . . . . A 36 GLN HG2 . 34726 1 431 . 1 . 1 39 39 GLN HG3 H 1 2.372 0.000 . . . . . . A 36 GLN HG3 . 34726 1 432 . 1 . 1 39 39 GLN HE21 H 1 8.125 0.000 . . . . . . A 36 GLN HE21 . 34726 1 433 . 1 . 1 39 39 GLN HE22 H 1 6.690 0.000 . . . . . . A 36 GLN HE22 . 34726 1 434 . 1 . 1 39 39 GLN CA C 13 54.213 0.000 . . . . . . A 36 GLN CA . 34726 1 435 . 1 . 1 39 39 GLN CB C 13 32.170 0.010 . . . . . . A 36 GLN CB . 34726 1 436 . 1 . 1 39 39 GLN CG C 13 33.304 0.005 . . . . . . A 36 GLN CG . 34726 1 437 . 1 . 1 39 39 GLN N N 15 126.060 0.000 . . . . . . A 36 GLN N . 34726 1 438 . 1 . 1 39 39 GLN NE2 N 15 113.257 0.000 . . . . . . A 36 GLN NE2 . 34726 1 439 . 1 . 1 40 40 ILE H H 1 8.741 0.000 . . . . . . A 37 ILE H . 34726 1 440 . 1 . 1 40 40 ILE HA H 1 4.455 0.000 . . . . . . A 37 ILE HA . 34726 1 441 . 1 . 1 40 40 ILE HB H 1 1.797 0.000 . . . . . . A 37 ILE HB . 34726 1 442 . 1 . 1 40 40 ILE HG12 H 1 1.350 0.000 . . . . . . A 37 ILE HG12 . 34726 1 443 . 1 . 1 40 40 ILE HG13 H 1 0.577 0.000 . . . . . . A 37 ILE HG13 . 34726 1 444 . 1 . 1 40 40 ILE HG21 H 1 0.652 0.000 . . . . . . A 37 ILE HG21 . 34726 1 445 . 1 . 1 40 40 ILE HG22 H 1 0.652 0.000 . . . . . . A 37 ILE HG22 . 34726 1 446 . 1 . 1 40 40 ILE HG23 H 1 0.652 0.000 . . . . . . A 37 ILE HG23 . 34726 1 447 . 1 . 1 40 40 ILE HD11 H 1 0.575 0.000 . . . . . . A 37 ILE HD11 . 34726 1 448 . 1 . 1 40 40 ILE HD12 H 1 0.575 0.000 . . . . . . A 37 ILE HD12 . 34726 1 449 . 1 . 1 40 40 ILE HD13 H 1 0.575 0.000 . . . . . . A 37 ILE HD13 . 34726 1 450 . 1 . 1 40 40 ILE CA C 13 58.503 0.000 . . . . . . A 37 ILE CA . 34726 1 451 . 1 . 1 40 40 ILE CB C 13 38.722 0.000 . . . . . . A 37 ILE CB . 34726 1 452 . 1 . 1 40 40 ILE CG1 C 13 26.663 0.015 . . . . . . A 37 ILE CG1 . 34726 1 453 . 1 . 1 40 40 ILE CG2 C 13 17.552 0.000 . . . . . . A 37 ILE CG2 . 34726 1 454 . 1 . 1 40 40 ILE CD1 C 13 13.260 0.000 . . . . . . A 37 ILE CD1 . 34726 1 455 . 1 . 1 40 40 ILE N N 15 123.977 0.000 . . . . . . A 37 ILE N . 34726 1 456 . 1 . 1 41 41 PRO HA H 1 4.368 0.000 . . . . . . A 38 PRO HA . 34726 1 457 . 1 . 1 41 41 PRO HB2 H 1 2.498 0.000 . . . . . . A 38 PRO HB2 . 34726 1 458 . 1 . 1 41 41 PRO HB3 H 1 1.633 0.000 . . . . . . A 38 PRO HB3 . 34726 1 459 . 1 . 1 41 41 PRO HG2 H 1 2.037 0.000 . . . . . . A 38 PRO HG2 . 34726 1 460 . 1 . 1 41 41 PRO HG3 H 1 2.037 0.000 . . . . . . A 38 PRO HG3 . 34726 1 461 . 1 . 1 41 41 PRO HD2 H 1 3.655 0.000 . . . . . . A 38 PRO HD2 . 34726 1 462 . 1 . 1 41 41 PRO HD3 H 1 3.223 0.000 . . . . . . A 38 PRO HD3 . 34726 1 463 . 1 . 1 41 41 PRO CA C 13 63.332 0.000 . . . . . . A 38 PRO CA . 34726 1 464 . 1 . 1 41 41 PRO CB C 13 32.418 0.010 . . . . . . A 38 PRO CB . 34726 1 465 . 1 . 1 41 41 PRO CG C 13 27.962 0.000 . . . . . . A 38 PRO CG . 34726 1 466 . 1 . 1 41 41 PRO CD C 13 50.407 0.001 . . . . . . A 38 PRO CD . 34726 1 467 . 1 . 1 42 42 LEU H H 1 8.332 0.000 . . . . . . A 39 LEU H . 34726 1 468 . 1 . 1 42 42 LEU HA H 1 4.541 0.000 . . . . . . A 39 LEU HA . 34726 1 469 . 1 . 1 42 42 LEU HB2 H 1 1.484 0.000 . . . . . . A 39 LEU HB2 . 34726 1 470 . 1 . 1 42 42 LEU HB3 H 1 1.011 0.000 . . . . . . A 39 LEU HB3 . 34726 1 471 . 1 . 1 42 42 LEU HG H 1 1.698 0.000 . . . . . . A 39 LEU HG . 34726 1 472 . 1 . 1 42 42 LEU HD11 H 1 0.654 0.000 . . . . . . A 39 LEU HD11 . 34726 1 473 . 1 . 1 42 42 LEU HD12 H 1 0.654 0.000 . . . . . . A 39 LEU HD12 . 34726 1 474 . 1 . 1 42 42 LEU HD13 H 1 0.654 0.000 . . . . . . A 39 LEU HD13 . 34726 1 475 . 1 . 1 42 42 LEU HD21 H 1 0.836 0.000 . . . . . . A 39 LEU HD21 . 34726 1 476 . 1 . 1 42 42 LEU HD22 H 1 0.836 0.000 . . . . . . A 39 LEU HD22 . 34726 1 477 . 1 . 1 42 42 LEU HD23 H 1 0.836 0.000 . . . . . . A 39 LEU HD23 . 34726 1 478 . 1 . 1 42 42 LEU CA C 13 53.435 0.000 . . . . . . A 39 LEU CA . 34726 1 479 . 1 . 1 42 42 LEU CB C 13 44.261 0.000 . . . . . . A 39 LEU CB . 34726 1 480 . 1 . 1 42 42 LEU CG C 13 26.494 0.000 . . . . . . A 39 LEU CG . 34726 1 481 . 1 . 1 42 42 LEU CD1 C 13 22.834 0.000 . . . . . . A 39 LEU CD1 . 34726 1 482 . 1 . 1 42 42 LEU CD2 C 13 25.092 0.000 . . . . . . A 39 LEU CD2 . 34726 1 483 . 1 . 1 42 42 LEU N N 15 121.661 0.000 . . . . . . A 39 LEU N . 34726 1 484 . 1 . 1 43 43 ASP H H 1 8.572 0.000 . . . . . . A 40 ASP H . 34726 1 485 . 1 . 1 43 43 ASP HA H 1 4.695 0.000 . . . . . . A 40 ASP HA . 34726 1 486 . 1 . 1 43 43 ASP HB2 H 1 3.209 0.000 . . . . . . A 40 ASP HB2 . 34726 1 487 . 1 . 1 43 43 ASP HB3 H 1 2.434 0.000 . . . . . . A 40 ASP HB3 . 34726 1 488 . 1 . 1 43 43 ASP CA C 13 53.887 0.000 . . . . . . A 40 ASP CA . 34726 1 489 . 1 . 1 43 43 ASP CB C 13 42.422 0.011 . . . . . . A 40 ASP CB . 34726 1 490 . 1 . 1 43 43 ASP N N 15 122.294 0.000 . . . . . . A 40 ASP N . 34726 1 491 . 1 . 1 44 44 TYR H H 1 8.565 0.000 . . . . . . A 41 TYR H . 34726 1 492 . 1 . 1 44 44 TYR HA H 1 4.263 0.000 . . . . . . A 41 TYR HA . 34726 1 493 . 1 . 1 44 44 TYR HB2 H 1 3.169 0.000 . . . . . . A 41 TYR HB2 . 34726 1 494 . 1 . 1 44 44 TYR HB3 H 1 3.086 0.000 . . . . . . A 41 TYR HB3 . 34726 1 495 . 1 . 1 44 44 TYR HD1 H 1 7.191 0.000 . . . . . . A 41 TYR HD1 . 34726 1 496 . 1 . 1 44 44 TYR HD2 H 1 7.191 0.000 . . . . . . A 41 TYR HD2 . 34726 1 497 . 1 . 1 44 44 TYR HE1 H 1 6.881 0.000 . . . . . . A 41 TYR HE1 . 34726 1 498 . 1 . 1 44 44 TYR HE2 H 1 6.881 0.000 . . . . . . A 41 TYR HE2 . 34726 1 499 . 1 . 1 44 44 TYR CA C 13 60.558 0.000 . . . . . . A 41 TYR CA . 34726 1 500 . 1 . 1 44 44 TYR CB C 13 37.985 0.002 . . . . . . A 41 TYR CB . 34726 1 501 . 1 . 1 44 44 TYR CD1 C 13 132.913 0.000 . . . . . . A 41 TYR CD1 . 34726 1 502 . 1 . 1 44 44 TYR CE1 C 13 118.489 0.000 . . . . . . A 41 TYR CE1 . 34726 1 503 . 1 . 1 44 44 TYR N N 15 125.895 0.000 . . . . . . A 41 TYR N . 34726 1 504 . 1 . 1 45 45 GLU H H 1 8.590 0.000 . . . . . . A 42 GLU H . 34726 1 505 . 1 . 1 45 45 GLU HA H 1 4.268 0.000 . . . . . . A 42 GLU HA . 34726 1 506 . 1 . 1 45 45 GLU HB2 H 1 2.189 0.000 . . . . . . A 42 GLU HB2 . 34726 1 507 . 1 . 1 45 45 GLU HB3 H 1 2.189 0.000 . . . . . . A 42 GLU HB3 . 34726 1 508 . 1 . 1 45 45 GLU HG2 H 1 2.344 0.000 . . . . . . A 42 GLU HG2 . 34726 1 509 . 1 . 1 45 45 GLU HG3 H 1 2.255 0.000 . . . . . . A 42 GLU HG3 . 34726 1 510 . 1 . 1 45 45 GLU CA C 13 58.602 0.000 . . . . . . A 42 GLU CA . 34726 1 511 . 1 . 1 45 45 GLU CB C 13 30.319 0.000 . . . . . . A 42 GLU CB . 34726 1 512 . 1 . 1 45 45 GLU CG C 13 36.753 0.012 . . . . . . A 42 GLU CG . 34726 1 513 . 1 . 1 45 45 GLU N N 15 117.844 0.000 . . . . . . A 42 GLU N . 34726 1 514 . 1 . 1 46 46 THR H H 1 7.885 0.000 . . . . . . A 43 THR H . 34726 1 515 . 1 . 1 46 46 THR HA H 1 4.368 0.000 . . . . . . A 43 THR HA . 34726 1 516 . 1 . 1 46 46 THR HB H 1 4.318 0.000 . . . . . . A 43 THR HB . 34726 1 517 . 1 . 1 46 46 THR HG21 H 1 1.245 0.000 . . . . . . A 43 THR HG21 . 34726 1 518 . 1 . 1 46 46 THR HG22 H 1 1.245 0.000 . . . . . . A 43 THR HG22 . 34726 1 519 . 1 . 1 46 46 THR HG23 H 1 1.245 0.000 . . . . . . A 43 THR HG23 . 34726 1 520 . 1 . 1 46 46 THR CA C 13 61.842 0.000 . . . . . . A 43 THR CA . 34726 1 521 . 1 . 1 46 46 THR CB C 13 70.605 0.000 . . . . . . A 43 THR CB . 34726 1 522 . 1 . 1 46 46 THR CG2 C 13 21.618 0.000 . . . . . . A 43 THR CG2 . 34726 1 523 . 1 . 1 46 46 THR N N 15 107.600 0.000 . . . . . . A 43 THR N . 34726 1 524 . 1 . 1 47 47 GLU H H 1 8.375 0.000 . . . . . . A 44 GLU H . 34726 1 525 . 1 . 1 47 47 GLU HA H 1 3.816 0.000 . . . . . . A 44 GLU HA . 34726 1 526 . 1 . 1 47 47 GLU HB2 H 1 2.308 0.000 . . . . . . A 44 GLU HB2 . 34726 1 527 . 1 . 1 47 47 GLU HB3 H 1 2.293 0.000 . . . . . . A 44 GLU HB3 . 34726 1 528 . 1 . 1 47 47 GLU HG2 H 1 2.179 0.000 . . . . . . A 44 GLU HG2 . 34726 1 529 . 1 . 1 47 47 GLU HG3 H 1 2.179 0.000 . . . . . . A 44 GLU HG3 . 34726 1 530 . 1 . 1 47 47 GLU CA C 13 58.188 0.000 . . . . . . A 44 GLU CA . 34726 1 531 . 1 . 1 47 47 GLU CB C 13 27.438 0.000 . . . . . . A 44 GLU CB . 34726 1 532 . 1 . 1 47 47 GLU CG C 13 37.312 0.000 . . . . . . A 44 GLU CG . 34726 1 533 . 1 . 1 47 47 GLU N N 15 116.291 0.000 . . . . . . A 44 GLU N . 34726 1 534 . 1 . 1 48 48 LYS H H 1 7.690 0.000 . . . . . . A 45 LYS H . 34726 1 535 . 1 . 1 48 48 LYS HA H 1 4.663 0.000 . . . . . . A 45 LYS HA . 34726 1 536 . 1 . 1 48 48 LYS HB2 H 1 1.874 0.000 . . . . . . A 45 LYS HB2 . 34726 1 537 . 1 . 1 48 48 LYS HB3 H 1 1.635 0.000 . . . . . . A 45 LYS HB3 . 34726 1 538 . 1 . 1 48 48 LYS HG2 H 1 1.462 0.000 . . . . . . A 45 LYS HG2 . 34726 1 539 . 1 . 1 48 48 LYS HG3 H 1 1.410 0.000 . . . . . . A 45 LYS HG3 . 34726 1 540 . 1 . 1 48 48 LYS HD2 H 1 1.673 0.000 . . . . . . A 45 LYS HD2 . 34726 1 541 . 1 . 1 48 48 LYS HD3 H 1 1.625 0.000 . . . . . . A 45 LYS HD3 . 34726 1 542 . 1 . 1 48 48 LYS HE2 H 1 3.005 0.000 . . . . . . A 45 LYS HE2 . 34726 1 543 . 1 . 1 48 48 LYS HE3 H 1 3.005 0.000 . . . . . . A 45 LYS HE3 . 34726 1 544 . 1 . 1 48 48 LYS CA C 13 54.555 0.000 . . . . . . A 45 LYS CA . 34726 1 545 . 1 . 1 48 48 LYS CB C 13 35.299 0.005 . . . . . . A 45 LYS CB . 34726 1 546 . 1 . 1 48 48 LYS CG C 13 24.748 0.008 . . . . . . A 45 LYS CG . 34726 1 547 . 1 . 1 48 48 LYS CD C 13 29.078 0.003 . . . . . . A 45 LYS CD . 34726 1 548 . 1 . 1 48 48 LYS CE C 13 42.285 0.000 . . . . . . A 45 LYS CE . 34726 1 549 . 1 . 1 48 48 LYS N N 15 117.761 0.000 . . . . . . A 45 LYS N . 34726 1 550 . 1 . 1 49 49 HIS H H 1 8.140 0.000 . . . . . . A 46 HIS H . 34726 1 551 . 1 . 1 49 49 HIS HA H 1 4.944 0.000 . . . . . . A 46 HIS HA . 34726 1 552 . 1 . 1 49 49 HIS HB2 H 1 3.515 0.000 . . . . . . A 46 HIS HB2 . 34726 1 553 . 1 . 1 49 49 HIS HB3 H 1 2.850 0.000 . . . . . . A 46 HIS HB3 . 34726 1 554 . 1 . 1 49 49 HIS HD2 H 1 7.153 0.000 . . . . . . A 46 HIS HD2 . 34726 1 555 . 1 . 1 49 49 HIS HE1 H 1 7.414 0.000 . . . . . . A 46 HIS HE1 . 34726 1 556 . 1 . 1 49 49 HIS CA C 13 55.802 0.000 . . . . . . A 46 HIS CA . 34726 1 557 . 1 . 1 49 49 HIS CB C 13 30.939 0.001 . . . . . . A 46 HIS CB . 34726 1 558 . 1 . 1 49 49 HIS CD2 C 13 118.955 0.000 . . . . . . A 46 HIS CD2 . 34726 1 559 . 1 . 1 49 49 HIS CE1 C 13 138.995 0.000 . . . . . . A 46 HIS CE1 . 34726 1 560 . 1 . 1 49 49 HIS N N 15 117.961 0.000 . . . . . . A 46 HIS N . 34726 1 561 . 1 . 1 50 50 ARG H H 1 8.839 0.000 . . . . . . A 47 ARG H . 34726 1 562 . 1 . 1 50 50 ARG HA H 1 4.517 0.000 . . . . . . A 47 ARG HA . 34726 1 563 . 1 . 1 50 50 ARG HB2 H 1 2.452 0.000 . . . . . . A 47 ARG HB2 . 34726 1 564 . 1 . 1 50 50 ARG HB3 H 1 1.597 0.000 . . . . . . A 47 ARG HB3 . 34726 1 565 . 1 . 1 50 50 ARG HG2 H 1 1.702 0.000 . . . . . . A 47 ARG HG2 . 34726 1 566 . 1 . 1 50 50 ARG HG3 H 1 1.564 0.000 . . . . . . A 47 ARG HG3 . 34726 1 567 . 1 . 1 50 50 ARG HD2 H 1 3.192 0.000 . . . . . . A 47 ARG HD2 . 34726 1 568 . 1 . 1 50 50 ARG HD3 H 1 3.056 0.000 . . . . . . A 47 ARG HD3 . 34726 1 569 . 1 . 1 50 50 ARG CA C 13 55.812 0.000 . . . . . . A 47 ARG CA . 34726 1 570 . 1 . 1 50 50 ARG CB C 13 31.570 0.000 . . . . . . A 47 ARG CB . 34726 1 571 . 1 . 1 50 50 ARG CG C 13 27.408 0.003 . . . . . . A 47 ARG CG . 34726 1 572 . 1 . 1 50 50 ARG CD C 13 44.434 0.000 . . . . . . A 47 ARG CD . 34726 1 573 . 1 . 1 50 50 ARG N N 15 119.137 0.000 . . . . . . A 47 ARG N . 34726 1 574 . 1 . 1 51 51 GLY H H 1 10.675 0.000 . . . . . . A 48 GLY H . 34726 1 575 . 1 . 1 51 51 GLY HA2 H 1 4.512 0.000 . . . . . . A 48 GLY HA2 . 34726 1 576 . 1 . 1 51 51 GLY HA3 H 1 3.942 0.000 . . . . . . A 48 GLY HA3 . 34726 1 577 . 1 . 1 51 51 GLY CA C 13 45.565 0.010 . . . . . . A 48 GLY CA . 34726 1 578 . 1 . 1 51 51 GLY N N 15 112.514 0.000 . . . . . . A 48 GLY N . 34726 1 579 . 1 . 1 52 52 PHE H H 1 6.970 0.000 . . . . . . A 49 PHE H . 34726 1 580 . 1 . 1 52 52 PHE HA H 1 5.591 0.000 . . . . . . A 49 PHE HA . 34726 1 581 . 1 . 1 52 52 PHE HB2 H 1 2.941 0.000 . . . . . . A 49 PHE HB2 . 34726 1 582 . 1 . 1 52 52 PHE HB3 H 1 2.576 0.000 . . . . . . A 49 PHE HB3 . 34726 1 583 . 1 . 1 52 52 PHE HD1 H 1 6.699 0.000 . . . . . . A 49 PHE HD1 . 34726 1 584 . 1 . 1 52 52 PHE HD2 H 1 6.699 0.000 . . . . . . A 49 PHE HD2 . 34726 1 585 . 1 . 1 52 52 PHE HE1 H 1 7.303 0.000 . . . . . . A 49 PHE HE1 . 34726 1 586 . 1 . 1 52 52 PHE HE2 H 1 7.303 0.000 . . . . . . A 49 PHE HE2 . 34726 1 587 . 1 . 1 52 52 PHE HZ H 1 7.287 0.000 . . . . . . A 49 PHE HZ . 34726 1 588 . 1 . 1 52 52 PHE CA C 13 54.753 0.000 . . . . . . A 49 PHE CA . 34726 1 589 . 1 . 1 52 52 PHE CB C 13 42.129 0.001 . . . . . . A 49 PHE CB . 34726 1 590 . 1 . 1 52 52 PHE CD1 C 13 132.797 0.000 . . . . . . A 49 PHE CD1 . 34726 1 591 . 1 . 1 52 52 PHE CE1 C 13 131.217 0.000 . . . . . . A 49 PHE CE1 . 34726 1 592 . 1 . 1 52 52 PHE CZ C 13 128.804 0.000 . . . . . . A 49 PHE CZ . 34726 1 593 . 1 . 1 52 52 PHE N N 15 114.720 0.000 . . . . . . A 49 PHE N . 34726 1 594 . 1 . 1 53 53 ALA H H 1 8.670 0.000 . . . . . . A 50 ALA H . 34726 1 595 . 1 . 1 53 53 ALA HA H 1 4.486 0.000 . . . . . . A 50 ALA HA . 34726 1 596 . 1 . 1 53 53 ALA HB1 H 1 0.890 0.000 . . . . . . A 50 ALA HB1 . 34726 1 597 . 1 . 1 53 53 ALA HB2 H 1 0.890 0.000 . . . . . . A 50 ALA HB2 . 34726 1 598 . 1 . 1 53 53 ALA HB3 H 1 0.890 0.000 . . . . . . A 50 ALA HB3 . 34726 1 599 . 1 . 1 53 53 ALA CA C 13 49.909 0.000 . . . . . . A 50 ALA CA . 34726 1 600 . 1 . 1 53 53 ALA CB C 13 25.894 0.000 . . . . . . A 50 ALA CB . 34726 1 601 . 1 . 1 53 53 ALA N N 15 119.850 0.000 . . . . . . A 50 ALA N . 34726 1 602 . 1 . 1 54 54 PHE H H 1 8.679 0.000 . . . . . . A 51 PHE H . 34726 1 603 . 1 . 1 54 54 PHE HA H 1 5.850 0.000 . . . . . . A 51 PHE HA . 34726 1 604 . 1 . 1 54 54 PHE HB2 H 1 2.822 0.000 . . . . . . A 51 PHE HB2 . 34726 1 605 . 1 . 1 54 54 PHE HB3 H 1 2.640 0.000 . . . . . . A 51 PHE HB3 . 34726 1 606 . 1 . 1 54 54 PHE HD1 H 1 7.024 0.000 . . . . . . A 51 PHE HD1 . 34726 1 607 . 1 . 1 54 54 PHE HD2 H 1 7.024 0.000 . . . . . . A 51 PHE HD2 . 34726 1 608 . 1 . 1 54 54 PHE HE1 H 1 7.364 0.000 . . . . . . A 51 PHE HE1 . 34726 1 609 . 1 . 1 54 54 PHE HE2 H 1 7.364 0.000 . . . . . . A 51 PHE HE2 . 34726 1 610 . 1 . 1 54 54 PHE HZ H 1 7.249 0.000 . . . . . . A 51 PHE HZ . 34726 1 611 . 1 . 1 54 54 PHE CA C 13 55.895 0.000 . . . . . . A 51 PHE CA . 34726 1 612 . 1 . 1 54 54 PHE CB C 13 41.816 0.000 . . . . . . A 51 PHE CB . 34726 1 613 . 1 . 1 54 54 PHE CD1 C 13 131.684 0.000 . . . . . . A 51 PHE CD1 . 34726 1 614 . 1 . 1 54 54 PHE CE1 C 13 130.546 0.000 . . . . . . A 51 PHE CE1 . 34726 1 615 . 1 . 1 54 54 PHE CZ C 13 129.035 0.000 . . . . . . A 51 PHE CZ . 34726 1 616 . 1 . 1 54 54 PHE N N 15 114.399 0.000 . . . . . . A 51 PHE N . 34726 1 617 . 1 . 1 55 55 VAL H H 1 8.774 0.000 . . . . . . A 52 VAL H . 34726 1 618 . 1 . 1 55 55 VAL HA H 1 4.332 0.000 . . . . . . A 52 VAL HA . 34726 1 619 . 1 . 1 55 55 VAL HB H 1 1.456 0.000 . . . . . . A 52 VAL HB . 34726 1 620 . 1 . 1 55 55 VAL HG11 H 1 0.315 0.000 . . . . . . A 52 VAL HG11 . 34726 1 621 . 1 . 1 55 55 VAL HG12 H 1 0.315 0.000 . . . . . . A 52 VAL HG12 . 34726 1 622 . 1 . 1 55 55 VAL HG13 H 1 0.315 0.000 . . . . . . A 52 VAL HG13 . 34726 1 623 . 1 . 1 55 55 VAL HG21 H 1 0.296 0.000 . . . . . . A 52 VAL HG21 . 34726 1 624 . 1 . 1 55 55 VAL HG22 H 1 0.296 0.000 . . . . . . A 52 VAL HG22 . 34726 1 625 . 1 . 1 55 55 VAL HG23 H 1 0.296 0.000 . . . . . . A 52 VAL HG23 . 34726 1 626 . 1 . 1 55 55 VAL CA C 13 61.213 0.000 . . . . . . A 52 VAL CA . 34726 1 627 . 1 . 1 55 55 VAL CB C 13 34.843 0.000 . . . . . . A 52 VAL CB . 34726 1 628 . 1 . 1 55 55 VAL CG1 C 13 20.291 0.000 . . . . . . A 52 VAL CG1 . 34726 1 629 . 1 . 1 55 55 VAL CG2 C 13 21.209 0.000 . . . . . . A 52 VAL CG2 . 34726 1 630 . 1 . 1 55 55 VAL N N 15 123.042 0.000 . . . . . . A 52 VAL N . 34726 1 631 . 1 . 1 56 56 GLU H H 1 9.044 0.000 . . . . . . A 53 GLU H . 34726 1 632 . 1 . 1 56 56 GLU HA H 1 5.192 0.000 . . . . . . A 53 GLU HA . 34726 1 633 . 1 . 1 56 56 GLU HB2 H 1 2.145 0.000 . . . . . . A 53 GLU HB2 . 34726 1 634 . 1 . 1 56 56 GLU HB3 H 1 1.815 0.000 . . . . . . A 53 GLU HB3 . 34726 1 635 . 1 . 1 56 56 GLU HG2 H 1 2.105 0.000 . . . . . . A 53 GLU HG2 . 34726 1 636 . 1 . 1 56 56 GLU HG3 H 1 1.992 0.000 . . . . . . A 53 GLU HG3 . 34726 1 637 . 1 . 1 56 56 GLU CA C 13 54.466 0.000 . . . . . . A 53 GLU CA . 34726 1 638 . 1 . 1 56 56 GLU CB C 13 33.125 0.005 . . . . . . A 53 GLU CB . 34726 1 639 . 1 . 1 56 56 GLU CG C 13 36.762 0.004 . . . . . . A 53 GLU CG . 34726 1 640 . 1 . 1 56 56 GLU N N 15 129.405 0.000 . . . . . . A 53 GLU N . 34726 1 641 . 1 . 1 57 57 PHE H H 1 8.754 0.000 . . . . . . A 54 PHE H . 34726 1 642 . 1 . 1 57 57 PHE HA H 1 4.918 0.000 . . . . . . A 54 PHE HA . 34726 1 643 . 1 . 1 57 57 PHE HB2 H 1 3.782 0.000 . . . . . . A 54 PHE HB2 . 34726 1 644 . 1 . 1 57 57 PHE HB3 H 1 2.748 0.000 . . . . . . A 54 PHE HB3 . 34726 1 645 . 1 . 1 57 57 PHE HD1 H 1 7.245 0.000 . . . . . . A 54 PHE HD1 . 34726 1 646 . 1 . 1 57 57 PHE HD2 H 1 7.245 0.000 . . . . . . A 54 PHE HD2 . 34726 1 647 . 1 . 1 57 57 PHE HE1 H 1 7.598 0.000 . . . . . . A 54 PHE HE1 . 34726 1 648 . 1 . 1 57 57 PHE HE2 H 1 7.598 0.000 . . . . . . A 54 PHE HE2 . 34726 1 649 . 1 . 1 57 57 PHE HZ H 1 7.226 0.000 . . . . . . A 54 PHE HZ . 34726 1 650 . 1 . 1 57 57 PHE CA C 13 58.157 0.000 . . . . . . A 54 PHE CA . 34726 1 651 . 1 . 1 57 57 PHE CB C 13 41.431 0.041 . . . . . . A 54 PHE CB . 34726 1 652 . 1 . 1 57 57 PHE CD1 C 13 131.388 0.000 . . . . . . A 54 PHE CD1 . 34726 1 653 . 1 . 1 57 57 PHE CE1 C 13 129.061 0.000 . . . . . . A 54 PHE CE1 . 34726 1 654 . 1 . 1 57 57 PHE CZ C 13 129.502 0.000 . . . . . . A 54 PHE CZ . 34726 1 655 . 1 . 1 57 57 PHE N N 15 126.527 0.000 . . . . . . A 54 PHE N . 34726 1 656 . 1 . 1 58 58 GLU H H 1 8.174 0.000 . . . . . . A 55 GLU H . 34726 1 657 . 1 . 1 58 58 GLU HA H 1 4.027 0.000 . . . . . . A 55 GLU HA . 34726 1 658 . 1 . 1 58 58 GLU HB2 H 1 2.341 0.000 . . . . . . A 55 GLU HB2 . 34726 1 659 . 1 . 1 58 58 GLU HB3 H 1 2.083 0.000 . . . . . . A 55 GLU HB3 . 34726 1 660 . 1 . 1 58 58 GLU HG2 H 1 2.284 0.000 . . . . . . A 55 GLU HG2 . 34726 1 661 . 1 . 1 58 58 GLU HG3 H 1 2.284 0.000 . . . . . . A 55 GLU HG3 . 34726 1 662 . 1 . 1 58 58 GLU CA C 13 59.848 0.000 . . . . . . A 55 GLU CA . 34726 1 663 . 1 . 1 58 58 GLU CB C 13 30.044 0.002 . . . . . . A 55 GLU CB . 34726 1 664 . 1 . 1 58 58 GLU CG C 13 36.192 0.000 . . . . . . A 55 GLU CG . 34726 1 665 . 1 . 1 58 58 GLU N N 15 121.274 0.000 . . . . . . A 55 GLU N . 34726 1 666 . 1 . 1 59 59 LEU H H 1 9.335 0.000 . . . . . . A 56 LEU H . 34726 1 667 . 1 . 1 59 59 LEU HA H 1 4.919 0.000 . . . . . . A 56 LEU HA . 34726 1 668 . 1 . 1 59 59 LEU HB2 H 1 1.922 0.000 . . . . . . A 56 LEU HB2 . 34726 1 669 . 1 . 1 59 59 LEU HB3 H 1 1.697 0.000 . . . . . . A 56 LEU HB3 . 34726 1 670 . 1 . 1 59 59 LEU HG H 1 1.781 0.000 . . . . . . A 56 LEU HG . 34726 1 671 . 1 . 1 59 59 LEU HD11 H 1 1.040 0.000 . . . . . . A 56 LEU HD11 . 34726 1 672 . 1 . 1 59 59 LEU HD12 H 1 1.040 0.000 . . . . . . A 56 LEU HD12 . 34726 1 673 . 1 . 1 59 59 LEU HD13 H 1 1.040 0.000 . . . . . . A 56 LEU HD13 . 34726 1 674 . 1 . 1 59 59 LEU HD21 H 1 1.115 0.000 . . . . . . A 56 LEU HD21 . 34726 1 675 . 1 . 1 59 59 LEU HD22 H 1 1.115 0.000 . . . . . . A 56 LEU HD22 . 34726 1 676 . 1 . 1 59 59 LEU HD23 H 1 1.115 0.000 . . . . . . A 56 LEU HD23 . 34726 1 677 . 1 . 1 59 59 LEU CA C 13 53.025 0.000 . . . . . . A 56 LEU CA . 34726 1 678 . 1 . 1 59 59 LEU CB C 13 43.280 0.002 . . . . . . A 56 LEU CB . 34726 1 679 . 1 . 1 59 59 LEU CG C 13 26.972 0.000 . . . . . . A 56 LEU CG . 34726 1 680 . 1 . 1 59 59 LEU CD1 C 13 23.253 0.000 . . . . . . A 56 LEU CD1 . 34726 1 681 . 1 . 1 59 59 LEU CD2 C 13 25.294 0.000 . . . . . . A 56 LEU CD2 . 34726 1 682 . 1 . 1 59 59 LEU N N 15 116.347 0.000 . . . . . . A 56 LEU N . 34726 1 683 . 1 . 1 60 60 ALA H H 1 9.053 0.000 . . . . . . A 57 ALA H . 34726 1 684 . 1 . 1 60 60 ALA HA H 1 4.004 0.000 . . . . . . A 57 ALA HA . 34726 1 685 . 1 . 1 60 60 ALA HB1 H 1 1.470 0.000 . . . . . . A 57 ALA HB1 . 34726 1 686 . 1 . 1 60 60 ALA HB2 H 1 1.470 0.000 . . . . . . A 57 ALA HB2 . 34726 1 687 . 1 . 1 60 60 ALA HB3 H 1 1.470 0.000 . . . . . . A 57 ALA HB3 . 34726 1 688 . 1 . 1 60 60 ALA CA C 13 55.246 0.000 . . . . . . A 57 ALA CA . 34726 1 689 . 1 . 1 60 60 ALA CB C 13 18.576 0.000 . . . . . . A 57 ALA CB . 34726 1 690 . 1 . 1 60 60 ALA N N 15 127.185 0.000 . . . . . . A 57 ALA N . 34726 1 691 . 1 . 1 61 61 GLU H H 1 9.994 0.000 . . . . . . A 58 GLU H . 34726 1 692 . 1 . 1 61 61 GLU HA H 1 4.135 0.000 . . . . . . A 58 GLU HA . 34726 1 693 . 1 . 1 61 61 GLU HB2 H 1 2.099 0.000 . . . . . . A 58 GLU HB2 . 34726 1 694 . 1 . 1 61 61 GLU HB3 H 1 2.099 0.000 . . . . . . A 58 GLU HB3 . 34726 1 695 . 1 . 1 61 61 GLU HG2 H 1 2.512 0.000 . . . . . . A 58 GLU HG2 . 34726 1 696 . 1 . 1 61 61 GLU HG3 H 1 2.407 0.000 . . . . . . A 58 GLU HG3 . 34726 1 697 . 1 . 1 61 61 GLU CA C 13 59.844 0.000 . . . . . . A 58 GLU CA . 34726 1 698 . 1 . 1 61 61 GLU CB C 13 28.649 0.000 . . . . . . A 58 GLU CB . 34726 1 699 . 1 . 1 61 61 GLU CG C 13 36.760 0.012 . . . . . . A 58 GLU CG . 34726 1 700 . 1 . 1 61 61 GLU N N 15 118.621 0.000 . . . . . . A 58 GLU N . 34726 1 701 . 1 . 1 62 62 ASP H H 1 6.862 0.000 . . . . . . A 59 ASP H . 34726 1 702 . 1 . 1 62 62 ASP HA H 1 4.516 0.000 . . . . . . A 59 ASP HA . 34726 1 703 . 1 . 1 62 62 ASP HB2 H 1 2.987 0.000 . . . . . . A 59 ASP HB2 . 34726 1 704 . 1 . 1 62 62 ASP HB3 H 1 2.679 0.000 . . . . . . A 59 ASP HB3 . 34726 1 705 . 1 . 1 62 62 ASP CA C 13 56.530 0.000 . . . . . . A 59 ASP CA . 34726 1 706 . 1 . 1 62 62 ASP CB C 13 39.986 0.006 . . . . . . A 59 ASP CB . 34726 1 707 . 1 . 1 62 62 ASP N N 15 123.961 0.000 . . . . . . A 59 ASP N . 34726 1 708 . 1 . 1 63 63 ALA H H 1 7.011 0.000 . . . . . . A 60 ALA H . 34726 1 709 . 1 . 1 63 63 ALA HA H 1 3.185 0.000 . . . . . . A 60 ALA HA . 34726 1 710 . 1 . 1 63 63 ALA HB1 H 1 1.432 0.000 . . . . . . A 60 ALA HB1 . 34726 1 711 . 1 . 1 63 63 ALA HB2 H 1 1.432 0.000 . . . . . . A 60 ALA HB2 . 34726 1 712 . 1 . 1 63 63 ALA HB3 H 1 1.432 0.000 . . . . . . A 60 ALA HB3 . 34726 1 713 . 1 . 1 63 63 ALA CA C 13 54.529 0.000 . . . . . . A 60 ALA CA . 34726 1 714 . 1 . 1 63 63 ALA CB C 13 17.421 0.000 . . . . . . A 60 ALA CB . 34726 1 715 . 1 . 1 63 63 ALA N N 15 121.761 0.000 . . . . . . A 60 ALA N . 34726 1 716 . 1 . 1 64 64 ALA H H 1 7.820 0.000 . . . . . . A 61 ALA H . 34726 1 717 . 1 . 1 64 64 ALA HA H 1 3.947 0.000 . . . . . . A 61 ALA HA . 34726 1 718 . 1 . 1 64 64 ALA HB1 H 1 1.502 0.000 . . . . . . A 61 ALA HB1 . 34726 1 719 . 1 . 1 64 64 ALA HB2 H 1 1.502 0.000 . . . . . . A 61 ALA HB2 . 34726 1 720 . 1 . 1 64 64 ALA HB3 H 1 1.502 0.000 . . . . . . A 61 ALA HB3 . 34726 1 721 . 1 . 1 64 64 ALA CA C 13 55.032 0.000 . . . . . . A 61 ALA CA . 34726 1 722 . 1 . 1 64 64 ALA CB C 13 17.868 0.000 . . . . . . A 61 ALA CB . 34726 1 723 . 1 . 1 64 64 ALA N N 15 117.697 0.000 . . . . . . A 61 ALA N . 34726 1 724 . 1 . 1 65 65 ALA H H 1 7.365 0.000 . . . . . . A 62 ALA H . 34726 1 725 . 1 . 1 65 65 ALA HA H 1 4.180 0.000 . . . . . . A 62 ALA HA . 34726 1 726 . 1 . 1 65 65 ALA HB1 H 1 1.714 0.000 . . . . . . A 62 ALA HB1 . 34726 1 727 . 1 . 1 65 65 ALA HB2 H 1 1.714 0.000 . . . . . . A 62 ALA HB2 . 34726 1 728 . 1 . 1 65 65 ALA HB3 H 1 1.714 0.000 . . . . . . A 62 ALA HB3 . 34726 1 729 . 1 . 1 65 65 ALA CA C 13 54.743 0.000 . . . . . . A 62 ALA CA . 34726 1 730 . 1 . 1 65 65 ALA CB C 13 18.191 0.000 . . . . . . A 62 ALA CB . 34726 1 731 . 1 . 1 65 65 ALA N N 15 121.278 0.000 . . . . . . A 62 ALA N . 34726 1 732 . 1 . 1 66 66 ALA H H 1 7.876 0.000 . . . . . . A 63 ALA H . 34726 1 733 . 1 . 1 66 66 ALA HA H 1 2.504 0.000 . . . . . . A 63 ALA HA . 34726 1 734 . 1 . 1 66 66 ALA HB1 H 1 1.238 0.000 . . . . . . A 63 ALA HB1 . 34726 1 735 . 1 . 1 66 66 ALA HB2 H 1 1.238 0.000 . . . . . . A 63 ALA HB2 . 34726 1 736 . 1 . 1 66 66 ALA HB3 H 1 1.238 0.000 . . . . . . A 63 ALA HB3 . 34726 1 737 . 1 . 1 66 66 ALA CA C 13 54.725 0.000 . . . . . . A 63 ALA CA . 34726 1 738 . 1 . 1 66 66 ALA CB C 13 19.018 0.000 . . . . . . A 63 ALA CB . 34726 1 739 . 1 . 1 66 66 ALA N N 15 122.108 0.000 . . . . . . A 63 ALA N . 34726 1 740 . 1 . 1 67 67 ILE H H 1 7.880 0.000 . . . . . . A 64 ILE H . 34726 1 741 . 1 . 1 67 67 ILE HA H 1 3.309 0.000 . . . . . . A 64 ILE HA . 34726 1 742 . 1 . 1 67 67 ILE HB H 1 1.914 0.000 . . . . . . A 64 ILE HB . 34726 1 743 . 1 . 1 67 67 ILE HG12 H 1 1.931 0.000 . . . . . . A 64 ILE HG12 . 34726 1 744 . 1 . 1 67 67 ILE HG13 H 1 0.616 0.000 . . . . . . A 64 ILE HG13 . 34726 1 745 . 1 . 1 67 67 ILE HG21 H 1 1.009 0.000 . . . . . . A 64 ILE HG21 . 34726 1 746 . 1 . 1 67 67 ILE HG22 H 1 1.009 0.000 . . . . . . A 64 ILE HG22 . 34726 1 747 . 1 . 1 67 67 ILE HG23 H 1 1.009 0.000 . . . . . . A 64 ILE HG23 . 34726 1 748 . 1 . 1 67 67 ILE HD11 H 1 0.876 0.000 . . . . . . A 64 ILE HD11 . 34726 1 749 . 1 . 1 67 67 ILE HD12 H 1 0.876 0.000 . . . . . . A 64 ILE HD12 . 34726 1 750 . 1 . 1 67 67 ILE HD13 H 1 0.876 0.000 . . . . . . A 64 ILE HD13 . 34726 1 751 . 1 . 1 67 67 ILE CA C 13 66.660 0.000 . . . . . . A 64 ILE CA . 34726 1 752 . 1 . 1 67 67 ILE CB C 13 38.488 0.000 . . . . . . A 64 ILE CB . 34726 1 753 . 1 . 1 67 67 ILE CG1 C 13 30.263 0.001 . . . . . . A 64 ILE CG1 . 34726 1 754 . 1 . 1 67 67 ILE CG2 C 13 17.350 0.000 . . . . . . A 64 ILE CG2 . 34726 1 755 . 1 . 1 67 67 ILE CD1 C 13 14.036 0.000 . . . . . . A 64 ILE CD1 . 34726 1 756 . 1 . 1 67 67 ILE N N 15 118.707 0.000 . . . . . . A 64 ILE N . 34726 1 757 . 1 . 1 68 68 ASP H H 1 7.466 0.000 . . . . . . A 65 ASP H . 34726 1 758 . 1 . 1 68 68 ASP HA H 1 4.367 0.000 . . . . . . A 65 ASP HA . 34726 1 759 . 1 . 1 68 68 ASP HB2 H 1 2.692 0.000 . . . . . . A 65 ASP HB2 . 34726 1 760 . 1 . 1 68 68 ASP HB3 H 1 2.692 0.000 . . . . . . A 65 ASP HB3 . 34726 1 761 . 1 . 1 68 68 ASP CA C 13 57.163 0.000 . . . . . . A 65 ASP CA . 34726 1 762 . 1 . 1 68 68 ASP CB C 13 40.956 0.000 . . . . . . A 65 ASP CB . 34726 1 763 . 1 . 1 68 68 ASP N N 15 116.665 0.000 . . . . . . A 65 ASP N . 34726 1 764 . 1 . 1 69 69 ASN H H 1 7.470 0.000 . . . . . . A 66 ASN H . 34726 1 765 . 1 . 1 69 69 ASN HA H 1 4.698 0.000 . . . . . . A 66 ASN HA . 34726 1 766 . 1 . 1 69 69 ASN HB2 H 1 2.637 0.000 . . . . . . A 66 ASN HB2 . 34726 1 767 . 1 . 1 69 69 ASN HB3 H 1 2.429 0.000 . . . . . . A 66 ASN HB3 . 34726 1 768 . 1 . 1 69 69 ASN HD21 H 1 7.741 0.000 . . . . . . A 66 ASN HD21 . 34726 1 769 . 1 . 1 69 69 ASN HD22 H 1 7.313 0.000 . . . . . . A 66 ASN HD22 . 34726 1 770 . 1 . 1 69 69 ASN CA C 13 55.479 0.000 . . . . . . A 66 ASN CA . 34726 1 771 . 1 . 1 69 69 ASN CB C 13 42.401 0.010 . . . . . . A 66 ASN CB . 34726 1 772 . 1 . 1 69 69 ASN N N 15 112.774 0.000 . . . . . . A 66 ASN N . 34726 1 773 . 1 . 1 69 69 ASN ND2 N 15 115.380 0.000 . . . . . . A 66 ASN ND2 . 34726 1 774 . 1 . 1 70 70 MET H H 1 8.293 0.000 . . . . . . A 67 MET H . 34726 1 775 . 1 . 1 70 70 MET HA H 1 4.931 0.000 . . . . . . A 67 MET HA . 34726 1 776 . 1 . 1 70 70 MET HB2 H 1 2.088 0.000 . . . . . . A 67 MET HB2 . 34726 1 777 . 1 . 1 70 70 MET HB3 H 1 1.902 0.000 . . . . . . A 67 MET HB3 . 34726 1 778 . 1 . 1 70 70 MET HG2 H 1 2.166 0.000 . . . . . . A 67 MET HG2 . 34726 1 779 . 1 . 1 70 70 MET HG3 H 1 1.778 0.000 . . . . . . A 67 MET HG3 . 34726 1 780 . 1 . 1 70 70 MET HE1 H 1 1.464 0.000 . . . . . . A 67 MET HE1 . 34726 1 781 . 1 . 1 70 70 MET HE2 H 1 1.464 0.000 . . . . . . A 67 MET HE2 . 34726 1 782 . 1 . 1 70 70 MET HE3 H 1 1.464 0.000 . . . . . . A 67 MET HE3 . 34726 1 783 . 1 . 1 70 70 MET CA C 13 53.810 0.000 . . . . . . A 67 MET CA . 34726 1 784 . 1 . 1 70 70 MET CB C 13 33.529 0.018 . . . . . . A 67 MET CB . 34726 1 785 . 1 . 1 70 70 MET CG C 13 32.920 0.013 . . . . . . A 67 MET CG . 34726 1 786 . 1 . 1 70 70 MET CE C 13 16.674 0.000 . . . . . . A 67 MET CE . 34726 1 787 . 1 . 1 70 70 MET N N 15 113.729 0.000 . . . . . . A 67 MET N . 34726 1 788 . 1 . 1 71 71 ASN H H 1 8.210 0.000 . . . . . . A 68 ASN H . 34726 1 789 . 1 . 1 71 71 ASN HA H 1 4.448 0.000 . . . . . . A 68 ASN HA . 34726 1 790 . 1 . 1 71 71 ASN HB2 H 1 3.333 0.000 . . . . . . A 68 ASN HB2 . 34726 1 791 . 1 . 1 71 71 ASN HB3 H 1 3.050 0.000 . . . . . . A 68 ASN HB3 . 34726 1 792 . 1 . 1 71 71 ASN HD21 H 1 7.979 0.000 . . . . . . A 68 ASN HD21 . 34726 1 793 . 1 . 1 71 71 ASN HD22 H 1 7.159 0.000 . . . . . . A 68 ASN HD22 . 34726 1 794 . 1 . 1 71 71 ASN CA C 13 56.923 0.000 . . . . . . A 68 ASN CA . 34726 1 795 . 1 . 1 71 71 ASN CB C 13 38.798 0.006 . . . . . . A 68 ASN CB . 34726 1 796 . 1 . 1 71 71 ASN N N 15 119.543 0.000 . . . . . . A 68 ASN N . 34726 1 797 . 1 . 1 71 71 ASN ND2 N 15 116.051 0.003 . . . . . . A 68 ASN ND2 . 34726 1 798 . 1 . 1 72 72 GLU H H 1 8.659 0.000 . . . . . . A 69 GLU H . 34726 1 799 . 1 . 1 72 72 GLU HA H 1 4.038 0.000 . . . . . . A 69 GLU HA . 34726 1 800 . 1 . 1 72 72 GLU HB2 H 1 2.388 0.000 . . . . . . A 69 GLU HB2 . 34726 1 801 . 1 . 1 72 72 GLU HB3 H 1 2.280 0.000 . . . . . . A 69 GLU HB3 . 34726 1 802 . 1 . 1 72 72 GLU HG2 H 1 2.347 0.000 . . . . . . A 69 GLU HG2 . 34726 1 803 . 1 . 1 72 72 GLU HG3 H 1 2.226 0.000 . . . . . . A 69 GLU HG3 . 34726 1 804 . 1 . 1 72 72 GLU CA C 13 58.891 0.000 . . . . . . A 69 GLU CA . 34726 1 805 . 1 . 1 72 72 GLU CB C 13 26.766 0.004 . . . . . . A 69 GLU CB . 34726 1 806 . 1 . 1 72 72 GLU CG C 13 37.180 0.001 . . . . . . A 69 GLU CG . 34726 1 807 . 1 . 1 72 72 GLU N N 15 121.535 0.000 . . . . . . A 69 GLU N . 34726 1 808 . 1 . 1 73 73 SER H H 1 7.714 0.000 . . . . . . A 70 SER H . 34726 1 809 . 1 . 1 73 73 SER HA H 1 4.673 0.000 . . . . . . A 70 SER HA . 34726 1 810 . 1 . 1 73 73 SER HB2 H 1 4.131 0.000 . . . . . . A 70 SER HB2 . 34726 1 811 . 1 . 1 73 73 SER HB3 H 1 3.904 0.000 . . . . . . A 70 SER HB3 . 34726 1 812 . 1 . 1 73 73 SER CA C 13 58.132 0.000 . . . . . . A 70 SER CA . 34726 1 813 . 1 . 1 73 73 SER CB C 13 65.060 0.000 . . . . . . A 70 SER CB . 34726 1 814 . 1 . 1 73 73 SER N N 15 115.015 0.000 . . . . . . A 70 SER N . 34726 1 815 . 1 . 1 74 74 GLU H H 1 8.308 0.000 . . . . . . A 71 GLU H . 34726 1 816 . 1 . 1 74 74 GLU HA H 1 5.032 0.000 . . . . . . A 71 GLU HA . 34726 1 817 . 1 . 1 74 74 GLU HB2 H 1 1.905 0.000 . . . . . . A 71 GLU HB2 . 34726 1 818 . 1 . 1 74 74 GLU HB3 H 1 1.878 0.000 . . . . . . A 71 GLU HB3 . 34726 1 819 . 1 . 1 74 74 GLU HG2 H 1 2.150 0.000 . . . . . . A 71 GLU HG2 . 34726 1 820 . 1 . 1 74 74 GLU HG3 H 1 1.971 0.000 . . . . . . A 71 GLU HG3 . 34726 1 821 . 1 . 1 74 74 GLU CA C 13 55.394 0.000 . . . . . . A 71 GLU CA . 34726 1 822 . 1 . 1 74 74 GLU CB C 13 31.952 0.008 . . . . . . A 71 GLU CB . 34726 1 823 . 1 . 1 74 74 GLU CG C 13 36.700 0.008 . . . . . . A 71 GLU CG . 34726 1 824 . 1 . 1 74 74 GLU N N 15 118.047 0.000 . . . . . . A 71 GLU N . 34726 1 825 . 1 . 1 75 75 LEU H H 1 9.059 0.000 . . . . . . A 72 LEU H . 34726 1 826 . 1 . 1 75 75 LEU HA H 1 4.645 0.000 . . . . . . A 72 LEU HA . 34726 1 827 . 1 . 1 75 75 LEU HB2 H 1 1.805 0.000 . . . . . . A 72 LEU HB2 . 34726 1 828 . 1 . 1 75 75 LEU HB3 H 1 1.428 0.000 . . . . . . A 72 LEU HB3 . 34726 1 829 . 1 . 1 75 75 LEU HG H 1 1.784 0.000 . . . . . . A 72 LEU HG . 34726 1 830 . 1 . 1 75 75 LEU HD11 H 1 0.899 0.000 . . . . . . A 72 LEU HD11 . 34726 1 831 . 1 . 1 75 75 LEU HD12 H 1 0.899 0.000 . . . . . . A 72 LEU HD12 . 34726 1 832 . 1 . 1 75 75 LEU HD13 H 1 0.899 0.000 . . . . . . A 72 LEU HD13 . 34726 1 833 . 1 . 1 75 75 LEU HD21 H 1 0.783 0.000 . . . . . . A 72 LEU HD21 . 34726 1 834 . 1 . 1 75 75 LEU HD22 H 1 0.783 0.000 . . . . . . A 72 LEU HD22 . 34726 1 835 . 1 . 1 75 75 LEU HD23 H 1 0.783 0.000 . . . . . . A 72 LEU HD23 . 34726 1 836 . 1 . 1 75 75 LEU CA C 13 54.692 0.000 . . . . . . A 72 LEU CA . 34726 1 837 . 1 . 1 75 75 LEU CB C 13 44.987 0.001 . . . . . . A 72 LEU CB . 34726 1 838 . 1 . 1 75 75 LEU CG C 13 26.863 0.000 . . . . . . A 72 LEU CG . 34726 1 839 . 1 . 1 75 75 LEU CD1 C 13 23.652 0.000 . . . . . . A 72 LEU CD1 . 34726 1 840 . 1 . 1 75 75 LEU CD2 C 13 25.255 0.000 . . . . . . A 72 LEU CD2 . 34726 1 841 . 1 . 1 75 75 LEU N N 15 126.839 0.000 . . . . . . A 72 LEU N . 34726 1 842 . 1 . 1 76 76 PHE H H 1 9.797 0.000 . . . . . . A 73 PHE H . 34726 1 843 . 1 . 1 76 76 PHE HA H 1 4.017 0.000 . . . . . . A 73 PHE HA . 34726 1 844 . 1 . 1 76 76 PHE HB2 H 1 3.565 0.000 . . . . . . A 73 PHE HB2 . 34726 1 845 . 1 . 1 76 76 PHE HB3 H 1 2.802 0.000 . . . . . . A 73 PHE HB3 . 34726 1 846 . 1 . 1 76 76 PHE HD1 H 1 7.184 0.000 . . . . . . A 73 PHE HD1 . 34726 1 847 . 1 . 1 76 76 PHE HD2 H 1 7.184 0.000 . . . . . . A 73 PHE HD2 . 34726 1 848 . 1 . 1 76 76 PHE HE1 H 1 7.351 0.000 . . . . . . A 73 PHE HE1 . 34726 1 849 . 1 . 1 76 76 PHE HE2 H 1 7.351 0.000 . . . . . . A 73 PHE HE2 . 34726 1 850 . 1 . 1 76 76 PHE HZ H 1 7.347 0.000 . . . . . . A 73 PHE HZ . 34726 1 851 . 1 . 1 76 76 PHE CA C 13 59.430 0.000 . . . . . . A 73 PHE CA . 34726 1 852 . 1 . 1 76 76 PHE CB C 13 37.156 0.001 . . . . . . A 73 PHE CB . 34726 1 853 . 1 . 1 76 76 PHE CD1 C 13 131.073 0.000 . . . . . . A 73 PHE CD1 . 34726 1 854 . 1 . 1 76 76 PHE CE1 C 13 131.639 0.000 . . . . . . A 73 PHE CE1 . 34726 1 855 . 1 . 1 76 76 PHE CZ C 13 129.754 0.000 . . . . . . A 73 PHE CZ . 34726 1 856 . 1 . 1 76 76 PHE N N 15 128.630 0.000 . . . . . . A 73 PHE N . 34726 1 857 . 1 . 1 77 77 GLY H H 1 8.709 0.000 . . . . . . A 74 GLY H . 34726 1 858 . 1 . 1 77 77 GLY HA2 H 1 4.146 0.000 . . . . . . A 74 GLY HA2 . 34726 1 859 . 1 . 1 77 77 GLY HA3 H 1 3.722 0.000 . . . . . . A 74 GLY HA3 . 34726 1 860 . 1 . 1 77 77 GLY CA C 13 45.833 0.006 . . . . . . A 74 GLY CA . 34726 1 861 . 1 . 1 77 77 GLY N N 15 102.210 0.000 . . . . . . A 74 GLY N . 34726 1 862 . 1 . 1 78 78 ARG H H 1 7.620 0.000 . . . . . . A 75 ARG H . 34726 1 863 . 1 . 1 78 78 ARG HA H 1 4.860 0.000 . . . . . . A 75 ARG HA . 34726 1 864 . 1 . 1 78 78 ARG HB2 H 1 2.139 0.000 . . . . . . A 75 ARG HB2 . 34726 1 865 . 1 . 1 78 78 ARG HB3 H 1 1.895 0.000 . . . . . . A 75 ARG HB3 . 34726 1 866 . 1 . 1 78 78 ARG HG2 H 1 1.785 0.000 . . . . . . A 75 ARG HG2 . 34726 1 867 . 1 . 1 78 78 ARG HG3 H 1 1.785 0.000 . . . . . . A 75 ARG HG3 . 34726 1 868 . 1 . 1 78 78 ARG HD2 H 1 3.247 0.000 . . . . . . A 75 ARG HD2 . 34726 1 869 . 1 . 1 78 78 ARG HD3 H 1 3.247 0.000 . . . . . . A 75 ARG HD3 . 34726 1 870 . 1 . 1 78 78 ARG CA C 13 53.828 0.000 . . . . . . A 75 ARG CA . 34726 1 871 . 1 . 1 78 78 ARG CB C 13 33.219 0.008 . . . . . . A 75 ARG CB . 34726 1 872 . 1 . 1 78 78 ARG CG C 13 26.759 0.000 . . . . . . A 75 ARG CG . 34726 1 873 . 1 . 1 78 78 ARG CD C 13 43.096 0.000 . . . . . . A 75 ARG CD . 34726 1 874 . 1 . 1 78 78 ARG N N 15 119.236 0.000 . . . . . . A 75 ARG N . 34726 1 875 . 1 . 1 79 79 THR H H 1 8.448 0.000 . . . . . . A 76 THR H . 34726 1 876 . 1 . 1 79 79 THR HA H 1 4.686 0.000 . . . . . . A 76 THR HA . 34726 1 877 . 1 . 1 79 79 THR HB H 1 3.976 0.000 . . . . . . A 76 THR HB . 34726 1 878 . 1 . 1 79 79 THR HG21 H 1 1.181 0.000 . . . . . . A 76 THR HG21 . 34726 1 879 . 1 . 1 79 79 THR HG22 H 1 1.181 0.000 . . . . . . A 76 THR HG22 . 34726 1 880 . 1 . 1 79 79 THR HG23 H 1 1.181 0.000 . . . . . . A 76 THR HG23 . 34726 1 881 . 1 . 1 79 79 THR CA C 13 62.972 0.000 . . . . . . A 76 THR CA . 34726 1 882 . 1 . 1 79 79 THR CB C 13 69.419 0.000 . . . . . . A 76 THR CB . 34726 1 883 . 1 . 1 79 79 THR CG2 C 13 21.989 0.000 . . . . . . A 76 THR CG2 . 34726 1 884 . 1 . 1 79 79 THR N N 15 119.089 0.000 . . . . . . A 76 THR N . 34726 1 885 . 1 . 1 80 80 ILE H H 1 8.813 0.000 . . . . . . A 77 ILE H . 34726 1 886 . 1 . 1 80 80 ILE HA H 1 5.175 0.000 . . . . . . A 77 ILE HA . 34726 1 887 . 1 . 1 80 80 ILE HB H 1 1.979 0.000 . . . . . . A 77 ILE HB . 34726 1 888 . 1 . 1 80 80 ILE HG12 H 1 1.557 0.000 . . . . . . A 77 ILE HG12 . 34726 1 889 . 1 . 1 80 80 ILE HG13 H 1 1.290 0.000 . . . . . . A 77 ILE HG13 . 34726 1 890 . 1 . 1 80 80 ILE HG21 H 1 0.895 0.000 . . . . . . A 77 ILE HG21 . 34726 1 891 . 1 . 1 80 80 ILE HG22 H 1 0.895 0.000 . . . . . . A 77 ILE HG22 . 34726 1 892 . 1 . 1 80 80 ILE HG23 H 1 0.895 0.000 . . . . . . A 77 ILE HG23 . 34726 1 893 . 1 . 1 80 80 ILE HD11 H 1 0.711 0.000 . . . . . . A 77 ILE HD11 . 34726 1 894 . 1 . 1 80 80 ILE HD12 H 1 0.711 0.000 . . . . . . A 77 ILE HD12 . 34726 1 895 . 1 . 1 80 80 ILE HD13 H 1 0.711 0.000 . . . . . . A 77 ILE HD13 . 34726 1 896 . 1 . 1 80 80 ILE CA C 13 60.048 0.000 . . . . . . A 77 ILE CA . 34726 1 897 . 1 . 1 80 80 ILE CB C 13 40.607 0.000 . . . . . . A 77 ILE CB . 34726 1 898 . 1 . 1 80 80 ILE CG1 C 13 24.824 0.006 . . . . . . A 77 ILE CG1 . 34726 1 899 . 1 . 1 80 80 ILE CG2 C 13 19.055 0.000 . . . . . . A 77 ILE CG2 . 34726 1 900 . 1 . 1 80 80 ILE CD1 C 13 14.260 0.000 . . . . . . A 77 ILE CD1 . 34726 1 901 . 1 . 1 80 80 ILE N N 15 121.621 0.000 . . . . . . A 77 ILE N . 34726 1 902 . 1 . 1 81 81 ARG H H 1 8.258 0.000 . . . . . . A 78 ARG H . 34726 1 903 . 1 . 1 81 81 ARG HA H 1 5.058 0.000 . . . . . . A 78 ARG HA . 34726 1 904 . 1 . 1 81 81 ARG HB2 H 1 1.889 0.000 . . . . . . A 78 ARG HB2 . 34726 1 905 . 1 . 1 81 81 ARG HB3 H 1 1.764 0.000 . . . . . . A 78 ARG HB3 . 34726 1 906 . 1 . 1 81 81 ARG HG2 H 1 1.757 0.000 . . . . . . A 78 ARG HG2 . 34726 1 907 . 1 . 1 81 81 ARG HG3 H 1 1.717 0.000 . . . . . . A 78 ARG HG3 . 34726 1 908 . 1 . 1 81 81 ARG HD2 H 1 3.338 0.000 . . . . . . A 78 ARG HD2 . 34726 1 909 . 1 . 1 81 81 ARG HD3 H 1 3.338 0.000 . . . . . . A 78 ARG HD3 . 34726 1 910 . 1 . 1 81 81 ARG CA C 13 53.841 0.000 . . . . . . A 78 ARG CA . 34726 1 911 . 1 . 1 81 81 ARG CB C 13 32.512 0.013 . . . . . . A 78 ARG CB . 34726 1 912 . 1 . 1 81 81 ARG CG C 13 27.273 0.001 . . . . . . A 78 ARG CG . 34726 1 913 . 1 . 1 81 81 ARG CD C 13 43.209 0.000 . . . . . . A 78 ARG CD . 34726 1 914 . 1 . 1 81 81 ARG N N 15 122.003 0.000 . . . . . . A 78 ARG N . 34726 1 915 . 1 . 1 82 82 VAL H H 1 8.966 0.000 . . . . . . A 79 VAL H . 34726 1 916 . 1 . 1 82 82 VAL HA H 1 5.452 0.000 . . . . . . A 79 VAL HA . 34726 1 917 . 1 . 1 82 82 VAL HB H 1 1.873 0.000 . . . . . . A 79 VAL HB . 34726 1 918 . 1 . 1 82 82 VAL HG11 H 1 1.081 0.000 . . . . . . A 79 VAL HG11 . 34726 1 919 . 1 . 1 82 82 VAL HG12 H 1 1.081 0.000 . . . . . . A 79 VAL HG12 . 34726 1 920 . 1 . 1 82 82 VAL HG13 H 1 1.081 0.000 . . . . . . A 79 VAL HG13 . 34726 1 921 . 1 . 1 82 82 VAL HG21 H 1 1.065 0.000 . . . . . . A 79 VAL HG21 . 34726 1 922 . 1 . 1 82 82 VAL HG22 H 1 1.065 0.000 . . . . . . A 79 VAL HG22 . 34726 1 923 . 1 . 1 82 82 VAL HG23 H 1 1.065 0.000 . . . . . . A 79 VAL HG23 . 34726 1 924 . 1 . 1 82 82 VAL CA C 13 60.404 0.000 . . . . . . A 79 VAL CA . 34726 1 925 . 1 . 1 82 82 VAL CB C 13 35.178 0.000 . . . . . . A 79 VAL CB . 34726 1 926 . 1 . 1 82 82 VAL CG1 C 13 22.493 0.000 . . . . . . A 79 VAL CG1 . 34726 1 927 . 1 . 1 82 82 VAL CG2 C 13 24.445 0.000 . . . . . . A 79 VAL CG2 . 34726 1 928 . 1 . 1 82 82 VAL N N 15 122.975 0.000 . . . . . . A 79 VAL N . 34726 1 929 . 1 . 1 83 83 ASN H H 1 9.065 0.000 . . . . . . A 80 ASN H . 34726 1 930 . 1 . 1 83 83 ASN HA H 1 4.918 0.000 . . . . . . A 80 ASN HA . 34726 1 931 . 1 . 1 83 83 ASN HB2 H 1 3.067 0.000 . . . . . . A 80 ASN HB2 . 34726 1 932 . 1 . 1 83 83 ASN HB3 H 1 2.860 0.000 . . . . . . A 80 ASN HB3 . 34726 1 933 . 1 . 1 83 83 ASN HD21 H 1 7.406 0.000 . . . . . . A 80 ASN HD21 . 34726 1 934 . 1 . 1 83 83 ASN HD22 H 1 7.016 0.000 . . . . . . A 80 ASN HD22 . 34726 1 935 . 1 . 1 83 83 ASN CA C 13 51.780 0.000 . . . . . . A 80 ASN CA . 34726 1 936 . 1 . 1 83 83 ASN CB C 13 42.551 0.005 . . . . . . A 80 ASN CB . 34726 1 937 . 1 . 1 83 83 ASN N N 15 121.571 0.000 . . . . . . A 80 ASN N . 34726 1 938 . 1 . 1 83 83 ASN ND2 N 15 112.215 0.001 . . . . . . A 80 ASN ND2 . 34726 1 939 . 1 . 1 84 84 LEU H H 1 8.842 0.000 . . . . . . A 81 LEU H . 34726 1 940 . 1 . 1 84 84 LEU HA H 1 4.561 0.000 . . . . . . A 81 LEU HA . 34726 1 941 . 1 . 1 84 84 LEU HB2 H 1 1.756 0.000 . . . . . . A 81 LEU HB2 . 34726 1 942 . 1 . 1 84 84 LEU HB3 H 1 1.665 0.000 . . . . . . A 81 LEU HB3 . 34726 1 943 . 1 . 1 84 84 LEU HG H 1 1.781 0.000 . . . . . . A 81 LEU HG . 34726 1 944 . 1 . 1 84 84 LEU HD11 H 1 1.023 0.000 . . . . . . A 81 LEU HD11 . 34726 1 945 . 1 . 1 84 84 LEU HD12 H 1 1.023 0.000 . . . . . . A 81 LEU HD12 . 34726 1 946 . 1 . 1 84 84 LEU HD13 H 1 1.023 0.000 . . . . . . A 81 LEU HD13 . 34726 1 947 . 1 . 1 84 84 LEU HD21 H 1 0.899 0.000 . . . . . . A 81 LEU HD21 . 34726 1 948 . 1 . 1 84 84 LEU HD22 H 1 0.899 0.000 . . . . . . A 81 LEU HD22 . 34726 1 949 . 1 . 1 84 84 LEU HD23 H 1 0.899 0.000 . . . . . . A 81 LEU HD23 . 34726 1 950 . 1 . 1 84 84 LEU CA C 13 56.407 0.000 . . . . . . A 81 LEU CA . 34726 1 951 . 1 . 1 84 84 LEU CB C 13 42.269 0.007 . . . . . . A 81 LEU CB . 34726 1 952 . 1 . 1 84 84 LEU CG C 13 26.901 0.000 . . . . . . A 81 LEU CG . 34726 1 953 . 1 . 1 84 84 LEU CD1 C 13 25.499 0.000 . . . . . . A 81 LEU CD1 . 34726 1 954 . 1 . 1 84 84 LEU CD2 C 13 23.587 0.000 . . . . . . A 81 LEU CD2 . 34726 1 955 . 1 . 1 84 84 LEU N N 15 121.384 0.000 . . . . . . A 81 LEU N . 34726 1 956 . 1 . 1 85 85 ALA H H 1 8.797 0.000 . . . . . . A 82 ALA H . 34726 1 957 . 1 . 1 85 85 ALA HA H 1 4.745 0.000 . . . . . . A 82 ALA HA . 34726 1 958 . 1 . 1 85 85 ALA HB1 H 1 1.528 0.000 . . . . . . A 82 ALA HB1 . 34726 1 959 . 1 . 1 85 85 ALA HB2 H 1 1.528 0.000 . . . . . . A 82 ALA HB2 . 34726 1 960 . 1 . 1 85 85 ALA HB3 H 1 1.528 0.000 . . . . . . A 82 ALA HB3 . 34726 1 961 . 1 . 1 85 85 ALA CA C 13 52.216 0.000 . . . . . . A 82 ALA CA . 34726 1 962 . 1 . 1 85 85 ALA CB C 13 19.784 0.000 . . . . . . A 82 ALA CB . 34726 1 963 . 1 . 1 85 85 ALA N N 15 126.378 0.000 . . . . . . A 82 ALA N . 34726 1 964 . 1 . 1 86 86 LYS H H 1 8.876 0.000 . . . . . . A 83 LYS H . 34726 1 965 . 1 . 1 86 86 LYS HA H 1 4.575 0.000 . . . . . . A 83 LYS HA . 34726 1 966 . 1 . 1 86 86 LYS HB2 H 1 1.798 0.000 . . . . . . A 83 LYS HB2 . 34726 1 967 . 1 . 1 86 86 LYS HB3 H 1 1.610 0.000 . . . . . . A 83 LYS HB3 . 34726 1 968 . 1 . 1 86 86 LYS HG2 H 1 1.417 0.000 . . . . . . A 83 LYS HG2 . 34726 1 969 . 1 . 1 86 86 LYS HG3 H 1 1.417 0.000 . . . . . . A 83 LYS HG3 . 34726 1 970 . 1 . 1 86 86 LYS HD2 H 1 1.576 0.000 . . . . . . A 83 LYS HD2 . 34726 1 971 . 1 . 1 86 86 LYS HD3 H 1 1.494 0.000 . . . . . . A 83 LYS HD3 . 34726 1 972 . 1 . 1 86 86 LYS HE2 H 1 2.823 0.000 . . . . . . A 83 LYS HE2 . 34726 1 973 . 1 . 1 86 86 LYS HE3 H 1 2.823 0.000 . . . . . . A 83 LYS HE3 . 34726 1 974 . 1 . 1 86 86 LYS CA C 13 54.584 0.000 . . . . . . A 83 LYS CA . 34726 1 975 . 1 . 1 86 86 LYS CB C 13 32.243 0.008 . . . . . . A 83 LYS CB . 34726 1 976 . 1 . 1 86 86 LYS CG C 13 25.028 0.000 . . . . . . A 83 LYS CG . 34726 1 977 . 1 . 1 86 86 LYS CD C 13 29.189 0.004 . . . . . . A 83 LYS CD . 34726 1 978 . 1 . 1 86 86 LYS CE C 13 42.051 0.000 . . . . . . A 83 LYS CE . 34726 1 979 . 1 . 1 86 86 LYS N N 15 123.058 0.000 . . . . . . A 83 LYS N . 34726 1 980 . 1 . 1 87 87 PRO HA H 1 4.433 0.000 . . . . . . A 84 PRO HA . 34726 1 981 . 1 . 1 87 87 PRO HB2 H 1 2.280 0.000 . . . . . . A 84 PRO HB2 . 34726 1 982 . 1 . 1 87 87 PRO HB3 H 1 1.881 0.000 . . . . . . A 84 PRO HB3 . 34726 1 983 . 1 . 1 87 87 PRO HG2 H 1 2.050 0.000 . . . . . . A 84 PRO HG2 . 34726 1 984 . 1 . 1 87 87 PRO HG3 H 1 1.992 0.000 . . . . . . A 84 PRO HG3 . 34726 1 985 . 1 . 1 87 87 PRO HD2 H 1 3.823 0.000 . . . . . . A 84 PRO HD2 . 34726 1 986 . 1 . 1 87 87 PRO HD3 H 1 3.630 0.000 . . . . . . A 84 PRO HD3 . 34726 1 987 . 1 . 1 87 87 PRO CA C 13 63.027 0.000 . . . . . . A 84 PRO CA . 34726 1 988 . 1 . 1 87 87 PRO CB C 13 31.983 0.002 . . . . . . A 84 PRO CB . 34726 1 989 . 1 . 1 87 87 PRO CG C 13 27.574 0.006 . . . . . . A 84 PRO CG . 34726 1 990 . 1 . 1 87 87 PRO CD C 13 50.406 0.002 . . . . . . A 84 PRO CD . 34726 1 991 . 1 . 1 88 88 MET H H 1 8.309 0.000 . . . . . . A 85 MET H . 34726 1 992 . 1 . 1 88 88 MET HA H 1 4.333 0.000 . . . . . . A 85 MET HA . 34726 1 993 . 1 . 1 88 88 MET HB2 H 1 1.952 0.000 . . . . . . A 85 MET HB2 . 34726 1 994 . 1 . 1 88 88 MET HB3 H 1 1.877 0.000 . . . . . . A 85 MET HB3 . 34726 1 995 . 1 . 1 88 88 MET HG2 H 1 2.410 0.000 . . . . . . A 85 MET HG2 . 34726 1 996 . 1 . 1 88 88 MET HG3 H 1 2.410 0.000 . . . . . . A 85 MET HG3 . 34726 1 997 . 1 . 1 88 88 MET HE1 H 1 1.909 0.000 . . . . . . A 85 MET HE1 . 34726 1 998 . 1 . 1 88 88 MET HE2 H 1 1.909 0.000 . . . . . . A 85 MET HE2 . 34726 1 999 . 1 . 1 88 88 MET HE3 H 1 1.909 0.000 . . . . . . A 85 MET HE3 . 34726 1 1000 . 1 . 1 88 88 MET CA C 13 55.840 0.000 . . . . . . A 85 MET CA . 34726 1 1001 . 1 . 1 88 88 MET CB C 13 33.513 0.005 . . . . . . A 85 MET CB . 34726 1 1002 . 1 . 1 88 88 MET CG C 13 31.990 0.000 . . . . . . A 85 MET CG . 34726 1 1003 . 1 . 1 88 88 MET CE C 13 16.943 0.000 . . . . . . A 85 MET CE . 34726 1 1004 . 1 . 1 88 88 MET N N 15 121.038 0.000 . . . . . . A 85 MET N . 34726 1 1005 . 1 . 1 89 89 ARG H H 1 8.459 0.000 . . . . . . A 86 ARG H . 34726 1 1006 . 1 . 1 89 89 ARG HA H 1 4.345 0.000 . . . . . . A 86 ARG HA . 34726 1 1007 . 1 . 1 89 89 ARG HB2 H 1 1.807 0.000 . . . . . . A 86 ARG HB2 . 34726 1 1008 . 1 . 1 89 89 ARG HB3 H 1 1.764 0.000 . . . . . . A 86 ARG HB3 . 34726 1 1009 . 1 . 1 89 89 ARG HG2 H 1 1.626 0.000 . . . . . . A 86 ARG HG2 . 34726 1 1010 . 1 . 1 89 89 ARG HG3 H 1 1.570 0.000 . . . . . . A 86 ARG HG3 . 34726 1 1011 . 1 . 1 89 89 ARG HD2 H 1 3.164 0.000 . . . . . . A 86 ARG HD2 . 34726 1 1012 . 1 . 1 89 89 ARG HD3 H 1 3.164 0.000 . . . . . . A 86 ARG HD3 . 34726 1 1013 . 1 . 1 89 89 ARG CA C 13 56.044 0.000 . . . . . . A 86 ARG CA . 34726 1 1014 . 1 . 1 89 89 ARG CB C 13 30.785 0.004 . . . . . . A 86 ARG CB . 34726 1 1015 . 1 . 1 89 89 ARG CG C 13 27.221 0.009 . . . . . . A 86 ARG CG . 34726 1 1016 . 1 . 1 89 89 ARG CD C 13 43.397 0.000 . . . . . . A 86 ARG CD . 34726 1 1017 . 1 . 1 89 89 ARG N N 15 122.764 0.000 . . . . . . A 86 ARG N . 34726 1 1018 . 1 . 1 90 90 ILE H H 1 8.164 0.000 . . . . . . A 87 ILE H . 34726 1 1019 . 1 . 1 90 90 ILE HA H 1 4.182 0.000 . . . . . . A 87 ILE HA . 34726 1 1020 . 1 . 1 90 90 ILE HB H 1 1.859 0.000 . . . . . . A 87 ILE HB . 34726 1 1021 . 1 . 1 90 90 ILE HG12 H 1 1.457 0.000 . . . . . . A 87 ILE HG12 . 34726 1 1022 . 1 . 1 90 90 ILE HG13 H 1 1.175 0.000 . . . . . . A 87 ILE HG13 . 34726 1 1023 . 1 . 1 90 90 ILE HG21 H 1 0.906 0.000 . . . . . . A 87 ILE HG21 . 34726 1 1024 . 1 . 1 90 90 ILE HG22 H 1 0.906 0.000 . . . . . . A 87 ILE HG22 . 34726 1 1025 . 1 . 1 90 90 ILE HG23 H 1 0.906 0.000 . . . . . . A 87 ILE HG23 . 34726 1 1026 . 1 . 1 90 90 ILE HD11 H 1 0.851 0.000 . . . . . . A 87 ILE HD11 . 34726 1 1027 . 1 . 1 90 90 ILE HD12 H 1 0.851 0.000 . . . . . . A 87 ILE HD12 . 34726 1 1028 . 1 . 1 90 90 ILE HD13 H 1 0.851 0.000 . . . . . . A 87 ILE HD13 . 34726 1 1029 . 1 . 1 90 90 ILE CA C 13 60.920 0.000 . . . . . . A 87 ILE CA . 34726 1 1030 . 1 . 1 90 90 ILE CB C 13 38.818 0.000 . . . . . . A 87 ILE CB . 34726 1 1031 . 1 . 1 90 90 ILE CG1 C 13 27.294 0.008 . . . . . . A 87 ILE CG1 . 34726 1 1032 . 1 . 1 90 90 ILE CG2 C 13 17.571 0.000 . . . . . . A 87 ILE CG2 . 34726 1 1033 . 1 . 1 90 90 ILE CD1 C 13 12.876 0.000 . . . . . . A 87 ILE CD1 . 34726 1 1034 . 1 . 1 90 90 ILE N N 15 122.492 0.000 . . . . . . A 87 ILE N . 34726 1 1035 . 1 . 1 91 91 LYS H H 1 8.354 0.000 . . . . . . A 88 LYS H . 34726 1 1036 . 1 . 1 91 91 LYS HA H 1 4.358 0.000 . . . . . . A 88 LYS HA . 34726 1 1037 . 1 . 1 91 91 LYS HB2 H 1 1.863 0.000 . . . . . . A 88 LYS HB2 . 34726 1 1038 . 1 . 1 91 91 LYS HB3 H 1 1.781 0.000 . . . . . . A 88 LYS HB3 . 34726 1 1039 . 1 . 1 91 91 LYS HG2 H 1 1.462 0.000 . . . . . . A 88 LYS HG2 . 34726 1 1040 . 1 . 1 91 91 LYS HG3 H 1 1.415 0.000 . . . . . . A 88 LYS HG3 . 34726 1 1041 . 1 . 1 91 91 LYS HD2 H 1 1.707 0.000 . . . . . . A 88 LYS HD2 . 34726 1 1042 . 1 . 1 91 91 LYS HD3 H 1 1.707 0.000 . . . . . . A 88 LYS HD3 . 34726 1 1043 . 1 . 1 91 91 LYS HE2 H 1 3.033 0.000 . . . . . . A 88 LYS HE2 . 34726 1 1044 . 1 . 1 91 91 LYS HE3 H 1 3.033 0.000 . . . . . . A 88 LYS HE3 . 34726 1 1045 . 1 . 1 91 91 LYS CA C 13 56.331 0.000 . . . . . . A 88 LYS CA . 34726 1 1046 . 1 . 1 91 91 LYS CB C 13 33.152 0.002 . . . . . . A 88 LYS CB . 34726 1 1047 . 1 . 1 91 91 LYS CG C 13 24.735 0.005 . . . . . . A 88 LYS CG . 34726 1 1048 . 1 . 1 91 91 LYS CD C 13 29.106 0.000 . . . . . . A 88 LYS CD . 34726 1 1049 . 1 . 1 91 91 LYS CE C 13 42.242 0.000 . . . . . . A 88 LYS CE . 34726 1 1050 . 1 . 1 91 91 LYS N N 15 125.822 0.000 . . . . . . A 88 LYS N . 34726 1 1051 . 1 . 1 92 92 GLU H H 1 8.435 0.000 . . . . . . A 89 GLU H . 34726 1 1052 . 1 . 1 92 92 GLU HA H 1 4.376 0.000 . . . . . . A 89 GLU HA . 34726 1 1053 . 1 . 1 92 92 GLU HB2 H 1 2.120 0.000 . . . . . . A 89 GLU HB2 . 34726 1 1054 . 1 . 1 92 92 GLU HB3 H 1 1.982 0.000 . . . . . . A 89 GLU HB3 . 34726 1 1055 . 1 . 1 92 92 GLU HG2 H 1 2.291 0.000 . . . . . . A 89 GLU HG2 . 34726 1 1056 . 1 . 1 92 92 GLU HG3 H 1 2.291 0.000 . . . . . . A 89 GLU HG3 . 34726 1 1057 . 1 . 1 92 92 GLU CA C 13 56.538 0.000 . . . . . . A 89 GLU CA . 34726 1 1058 . 1 . 1 92 92 GLU CB C 13 30.722 0.006 . . . . . . A 89 GLU CB . 34726 1 1059 . 1 . 1 92 92 GLU CG C 13 36.453 0.000 . . . . . . A 89 GLU CG . 34726 1 1060 . 1 . 1 92 92 GLU N N 15 123.530 0.000 . . . . . . A 89 GLU N . 34726 1 1061 . 1 . 1 93 93 GLY H H 1 7.985 0.000 . . . . . . A 90 GLY H . 34726 1 1062 . 1 . 1 93 93 GLY HA2 H 1 3.816 0.000 . . . . . . A 90 GLY HA2 . 34726 1 1063 . 1 . 1 93 93 GLY HA3 H 1 3.801 0.000 . . . . . . A 90 GLY HA3 . 34726 1 1064 . 1 . 1 93 93 GLY CA C 13 46.192 0.011 . . . . . . A 90 GLY CA . 34726 1 1065 . 1 . 1 93 93 GLY N N 15 116.336 0.000 . . . . . . A 90 GLY N . 34726 1 1066 . 2 . 2 1 1 U H1' H 1 5.819 0.000 . . . . . . B 1 U H1' . 34726 1 1067 . 2 . 2 1 1 U H2' H 1 4.369 0.000 . . . . . . B 1 U H2' . 34726 1 1068 . 2 . 2 1 1 U H3' H 1 4.572 0.000 . . . . . . B 1 U H3' . 34726 1 1069 . 2 . 2 1 1 U H4' H 1 4.252 0.000 . . . . . . B 1 U H4' . 34726 1 1070 . 2 . 2 1 1 U H5 H 1 5.775 0.000 . . . . . . B 1 U H5 . 34726 1 1071 . 2 . 2 1 1 U H5' H 1 3.829 0.000 . . . . . . B 1 U H5' . 34726 1 1072 . 2 . 2 1 1 U H5'' H 1 3.804 0.000 . . . . . . B 1 U H5'' . 34726 1 1073 . 2 . 2 1 1 U H6 H 1 7.779 0.000 . . . . . . B 1 U H6 . 34726 1 1074 . 2 . 2 1 1 U C1' C 13 91.932 0.000 . . . . . . B 1 U C1' . 34726 1 1075 . 2 . 2 1 1 U C2' C 13 75.722 0.000 . . . . . . B 1 U C2' . 34726 1 1076 . 2 . 2 1 1 U C3' C 13 75.966 0.000 . . . . . . B 1 U C3' . 34726 1 1077 . 2 . 2 1 1 U C4' C 13 86.152 0.000 . . . . . . B 1 U C4' . 34726 1 1078 . 2 . 2 1 1 U C5 C 13 104.866 0.000 . . . . . . B 1 U C5 . 34726 1 1079 . 2 . 2 1 1 U C5' C 13 63.172 0.003 . . . . . . B 1 U C5' . 34726 1 1080 . 2 . 2 1 1 U C6 C 13 144.114 0.000 . . . . . . B 1 U C6 . 34726 1 1081 . 2 . 2 2 2 A H1' H 1 5.979 0.000 . . . . . . B 2 A H1' . 34726 1 1082 . 2 . 2 2 2 A H2 H 1 8.105 0.000 . . . . . . B 2 A H2 . 34726 1 1083 . 2 . 2 2 2 A H2' H 1 4.802 0.000 . . . . . . B 2 A H2' . 34726 1 1084 . 2 . 2 2 2 A H3' H 1 4.838 0.000 . . . . . . B 2 A H3' . 34726 1 1085 . 2 . 2 2 2 A H4' H 1 4.520 0.000 . . . . . . B 2 A H4' . 34726 1 1086 . 2 . 2 2 2 A H5' H 1 4.258 0.000 . . . . . . B 2 A H5' . 34726 1 1087 . 2 . 2 2 2 A H5'' H 1 4.173 0.000 . . . . . . B 2 A H5'' . 34726 1 1088 . 2 . 2 2 2 A H8 H 1 8.359 0.000 . . . . . . B 2 A H8 . 34726 1 1089 . 2 . 2 2 2 A C1' C 13 90.600 0.000 . . . . . . B 2 A C1' . 34726 1 1090 . 2 . 2 2 2 A C2 C 13 155.330 0.000 . . . . . . B 2 A C2 . 34726 1 1091 . 2 . 2 2 2 A C2' C 13 75.904 0.000 . . . . . . B 2 A C2' . 34726 1 1092 . 2 . 2 2 2 A C3' C 13 76.334 0.000 . . . . . . B 2 A C3' . 34726 1 1093 . 2 . 2 2 2 A C4' C 13 84.819 0.000 . . . . . . B 2 A C4' . 34726 1 1094 . 2 . 2 2 2 A C5' C 13 67.434 0.007 . . . . . . B 2 A C5' . 34726 1 1095 . 2 . 2 2 2 A C8 C 13 142.048 0.000 . . . . . . B 2 A C8 . 34726 1 1096 . 2 . 2 3 3 A H1' H 1 6.030 0.000 . . . . . . B 3 A H1' . 34726 1 1097 . 2 . 2 3 3 A H2 H 1 8.182 0.000 . . . . . . B 3 A H2 . 34726 1 1098 . 2 . 2 3 3 A H2' H 1 4.753 0.000 . . . . . . B 3 A H2' . 34726 1 1099 . 2 . 2 3 3 A H3' H 1 4.831 0.000 . . . . . . B 3 A H3' . 34726 1 1100 . 2 . 2 3 3 A H4' H 1 4.569 0.000 . . . . . . B 3 A H4' . 34726 1 1101 . 2 . 2 3 3 A H5' H 1 4.391 0.000 . . . . . . B 3 A H5' . 34726 1 1102 . 2 . 2 3 3 A H5'' H 1 4.263 0.000 . . . . . . B 3 A H5'' . 34726 1 1103 . 2 . 2 3 3 A H8 H 1 8.339 0.000 . . . . . . B 3 A H8 . 34726 1 1104 . 2 . 2 3 3 A C1' C 13 90.265 0.000 . . . . . . B 3 A C1' . 34726 1 1105 . 2 . 2 3 3 A C2 C 13 155.491 0.000 . . . . . . B 3 A C2 . 34726 1 1106 . 2 . 2 3 3 A C2' C 13 76.402 0.000 . . . . . . B 3 A C2' . 34726 1 1107 . 2 . 2 3 3 A C3' C 13 76.369 0.000 . . . . . . B 3 A C3' . 34726 1 1108 . 2 . 2 3 3 A C4' C 13 85.144 0.000 . . . . . . B 3 A C4' . 34726 1 1109 . 2 . 2 3 3 A C5' C 13 67.468 0.004 . . . . . . B 3 A C5' . 34726 1 1110 . 2 . 2 3 3 A C8 C 13 141.802 0.000 . . . . . . B 3 A C8 . 34726 1 1111 . 2 . 2 4 4 U H1' H 1 5.879 0.000 . . . . . . B 4 U H1' . 34726 1 1112 . 2 . 2 4 4 U H2' H 1 4.335 0.000 . . . . . . B 4 U H2' . 34726 1 1113 . 2 . 2 4 4 U H3' H 1 4.662 0.000 . . . . . . B 4 U H3' . 34726 1 1114 . 2 . 2 4 4 U H4' H 1 4.341 0.000 . . . . . . B 4 U H4' . 34726 1 1115 . 2 . 2 4 4 U H5 H 1 5.654 0.000 . . . . . . B 4 U H5 . 34726 1 1116 . 2 . 2 4 4 U H5' H 1 4.195 0.000 . . . . . . B 4 U H5' . 34726 1 1117 . 2 . 2 4 4 U H5'' H 1 4.071 0.000 . . . . . . B 4 U H5'' . 34726 1 1118 . 2 . 2 4 4 U H6 H 1 7.678 0.000 . . . . . . B 4 U H6 . 34726 1 1119 . 2 . 2 4 4 U C1' C 13 90.785 0.000 . . . . . . B 4 U C1' . 34726 1 1120 . 2 . 2 4 4 U C2' C 13 75.804 0.000 . . . . . . B 4 U C2' . 34726 1 1121 . 2 . 2 4 4 U C3' C 13 76.888 0.000 . . . . . . B 4 U C3' . 34726 1 1122 . 2 . 2 4 4 U C4' C 13 85.134 0.000 . . . . . . B 4 U C4' . 34726 1 1123 . 2 . 2 4 4 U C5 C 13 105.207 0.000 . . . . . . B 4 U C5 . 34726 1 1124 . 2 . 2 4 4 U C5' C 13 67.548 0.001 . . . . . . B 4 U C5' . 34726 1 1125 . 2 . 2 4 4 U C6 C 13 143.325 0.000 . . . . . . B 4 U C6 . 34726 1 1126 . 2 . 2 5 5 G H1' H 1 5.869 0.000 . . . . . . B 5 G H1' . 34726 1 1127 . 2 . 2 5 5 G H2' H 1 4.846 0.000 . . . . . . B 5 G H2' . 34726 1 1128 . 2 . 2 5 5 G H3' H 1 4.945 0.000 . . . . . . B 5 G H3' . 34726 1 1129 . 2 . 2 5 5 G H4' H 1 4.535 0.000 . . . . . . B 5 G H4' . 34726 1 1130 . 2 . 2 5 5 G H5' H 1 4.307 0.000 . . . . . . B 5 G H5' . 34726 1 1131 . 2 . 2 5 5 G H5'' H 1 4.201 0.000 . . . . . . B 5 G H5'' . 34726 1 1132 . 2 . 2 5 5 G H8 H 1 7.991 0.000 . . . . . . B 5 G H8 . 34726 1 1133 . 2 . 2 5 5 G C1' C 13 90.538 0.000 . . . . . . B 5 G C1' . 34726 1 1134 . 2 . 2 5 5 G C2' C 13 77.393 0.000 . . . . . . B 5 G C2' . 34726 1 1135 . 2 . 2 5 5 G C3' C 13 75.207 0.000 . . . . . . B 5 G C3' . 34726 1 1136 . 2 . 2 5 5 G C4' C 13 85.599 0.000 . . . . . . B 5 G C4' . 34726 1 1137 . 2 . 2 5 5 G C5' C 13 67.861 0.007 . . . . . . B 5 G C5' . 34726 1 1138 . 2 . 2 5 5 G C8 C 13 140.391 0.000 . . . . . . B 5 G C8 . 34726 1 1139 . 2 . 2 6 6 U H1' H 1 5.947 0.000 . . . . . . B 6 U H1' . 34726 1 1140 . 2 . 2 6 6 U H2' H 1 4.436 0.000 . . . . . . B 6 U H2' . 34726 1 1141 . 2 . 2 6 6 U H3' H 1 4.670 0.000 . . . . . . B 6 U H3' . 34726 1 1142 . 2 . 2 6 6 U H4' H 1 4.461 0.000 . . . . . . B 6 U H4' . 34726 1 1143 . 2 . 2 6 6 U H5 H 1 5.819 0.000 . . . . . . B 6 U H5 . 34726 1 1144 . 2 . 2 6 6 U H5' H 1 4.282 0.000 . . . . . . B 6 U H5' . 34726 1 1145 . 2 . 2 6 6 U H5'' H 1 4.206 0.000 . . . . . . B 6 U H5'' . 34726 1 1146 . 2 . 2 6 6 U H6 H 1 7.833 0.000 . . . . . . B 6 U H6 . 34726 1 1147 . 2 . 2 6 6 U C1' C 13 91.111 0.000 . . . . . . B 6 U C1' . 34726 1 1148 . 2 . 2 6 6 U C2' C 13 75.680 0.000 . . . . . . B 6 U C2' . 34726 1 1149 . 2 . 2 6 6 U C3' C 13 76.521 0.000 . . . . . . B 6 U C3' . 34726 1 1150 . 2 . 2 6 6 U C4' C 13 85.337 0.000 . . . . . . B 6 U C4' . 34726 1 1151 . 2 . 2 6 6 U C5 C 13 105.231 0.000 . . . . . . B 6 U C5 . 34726 1 1152 . 2 . 2 6 6 U C5' C 13 67.486 0.001 . . . . . . B 6 U C5' . 34726 1 1153 . 2 . 2 6 6 U C6 C 13 143.673 0.000 . . . . . . B 6 U C6 . 34726 1 1154 . 2 . 2 7 7 C H1' H 1 5.996 0.000 . . . . . . B 7 C H1' . 34726 1 1155 . 2 . 2 7 7 C H2' H 1 4.356 0.000 . . . . . . B 7 C H2' . 34726 1 1156 . 2 . 2 7 7 C H3' H 1 4.650 0.000 . . . . . . B 7 C H3' . 34726 1 1157 . 2 . 2 7 7 C H4' H 1 4.377 0.000 . . . . . . B 7 C H4' . 34726 1 1158 . 2 . 2 7 7 C H5 H 1 5.945 0.000 . . . . . . B 7 C H5 . 34726 1 1159 . 2 . 2 7 7 C H5' H 1 4.154 0.000 . . . . . . B 7 C H5' . 34726 1 1160 . 2 . 2 7 7 C H5'' H 1 4.124 0.000 . . . . . . B 7 C H5'' . 34726 1 1161 . 2 . 2 7 7 C H6 H 1 7.800 0.000 . . . . . . B 7 C H6 . 34726 1 1162 . 2 . 2 7 7 C C1' C 13 91.724 0.000 . . . . . . B 7 C C1' . 34726 1 1163 . 2 . 2 7 7 C C2' C 13 76.290 0.000 . . . . . . B 7 C C2' . 34726 1 1164 . 2 . 2 7 7 C C3' C 13 76.177 0.000 . . . . . . B 7 C C3' . 34726 1 1165 . 2 . 2 7 7 C C4' C 13 84.300 0.000 . . . . . . B 7 C C4' . 34726 1 1166 . 2 . 2 7 7 C C5 C 13 98.996 0.000 . . . . . . B 7 C C5 . 34726 1 1167 . 2 . 2 7 7 C C5' C 13 67.132 0.003 . . . . . . B 7 C C5' . 34726 1 1168 . 2 . 2 7 7 C C6 C 13 143.317 0.000 . . . . . . B 7 C C6 . 34726 1 1169 . 2 . 2 8 8 G H1' H 1 5.904 0.000 . . . . . . B 8 G H1' . 34726 1 1170 . 2 . 2 8 8 G H2' H 1 4.536 0.000 . . . . . . B 8 G H2' . 34726 1 1171 . 2 . 2 8 8 G H3' H 1 4.757 0.000 . . . . . . B 8 G H3' . 34726 1 1172 . 2 . 2 8 8 G H4' H 1 4.375 0.000 . . . . . . B 8 G H4' . 34726 1 1173 . 2 . 2 8 8 G H5' H 1 4.296 0.000 . . . . . . B 8 G H5' . 34726 1 1174 . 2 . 2 8 8 G H5'' H 1 4.210 0.000 . . . . . . B 8 G H5'' . 34726 1 1175 . 2 . 2 8 8 G H8 H 1 8.042 0.000 . . . . . . B 8 G H8 . 34726 1 1176 . 2 . 2 8 8 G C1' C 13 90.394 0.000 . . . . . . B 8 G C1' . 34726 1 1177 . 2 . 2 8 8 G C2' C 13 73.102 0.000 . . . . . . B 8 G C2' . 34726 1 1178 . 2 . 2 8 8 G C3' C 13 76.431 0.000 . . . . . . B 8 G C3' . 34726 1 1179 . 2 . 2 8 8 G C4' C 13 86.344 0.000 . . . . . . B 8 G C4' . 34726 1 1180 . 2 . 2 8 8 G C5' C 13 67.798 0.003 . . . . . . B 8 G C5' . 34726 1 1181 . 2 . 2 8 8 G C8 C 13 140.353 0.000 . . . . . . B 8 G C8 . 34726 1 stop_ save_