data_34724 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34724 _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. . . . 34724 2 F. Allain F. . . . 34724 3 C. Meylan C. . . . 34724 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EPIGENETIC . 34724 H3K4me3 . 34724 'HISTONE 3' . 34724 'MLL1 Transcription regulation' . 34724 'RNA BINDING PROTEIN-STRUCTURAL PROTEIN COMPLEX' . 34724 RRM . 34724 TRANSCRIPTION . 34724 'infant leukemia' . 34724 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34724 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 34724 '15N chemical shifts' 114 34724 '1H chemical shifts' 798 34724 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' 34724 1 . . 2022-04-11 2022-03-31 original author 'original release' 34724 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ZEV 'BMRB Entry Tracking System' 34724 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34724 _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. . . . 34724 1 2 Charlotte Meylan C. . . . 34724 1 3 Antoine Clery A. . . . 34724 1 4 Roberto Giambruno R. . . . 34724 1 5 Yaroslav Nikolaev Y. . . . 34724 1 6 Michel Heidecker M. . . . 34724 1 7 'Jessica Arvindbhai' Solanki J. A. . . 34724 1 8 Manuel Diaz M. O. . . 34724 1 9 Davide Gabellini D. . . . 34724 1 10 'Frederic H-T' Allain F. H. . . 34724 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34724 _Assembly.ID 1 _Assembly.Name 'Peptidyl-prolyl cis-trans isomerase E (E.C.5.2.1.8)' _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 . . . . . . 34724 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34724 _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 RVNLAKPMRIKEGSSRPVWS DDDWLKKFSGKTLEENK ; _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 117 _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 13189.849 _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 34724 1 Cyclophilin-33 common 34724 1 'PPIase E' common 34724 1 'Rotamase E' common 34724 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 . 34724 1 2 . GLY . 34724 1 3 . HIS . 34724 1 4 . MET . 34724 1 5 . ALA . 34724 1 6 . THR . 34724 1 7 . THR . 34724 1 8 . LYS . 34724 1 9 . ARG . 34724 1 10 . VAL . 34724 1 11 . LEU . 34724 1 12 . TYR . 34724 1 13 . VAL . 34724 1 14 . GLY . 34724 1 15 . GLY . 34724 1 16 . LEU . 34724 1 17 . ALA . 34724 1 18 . GLU . 34724 1 19 . GLU . 34724 1 20 . VAL . 34724 1 21 . ASP . 34724 1 22 . ASP . 34724 1 23 . LYS . 34724 1 24 . VAL . 34724 1 25 . LEU . 34724 1 26 . HIS . 34724 1 27 . ALA . 34724 1 28 . ALA . 34724 1 29 . PHE . 34724 1 30 . ILE . 34724 1 31 . PRO . 34724 1 32 . PHE . 34724 1 33 . GLY . 34724 1 34 . ASP . 34724 1 35 . ILE . 34724 1 36 . THR . 34724 1 37 . ASP . 34724 1 38 . ILE . 34724 1 39 . GLN . 34724 1 40 . ILE . 34724 1 41 . PRO . 34724 1 42 . LEU . 34724 1 43 . ASP . 34724 1 44 . TYR . 34724 1 45 . GLU . 34724 1 46 . THR . 34724 1 47 . GLU . 34724 1 48 . LYS . 34724 1 49 . HIS . 34724 1 50 . ARG . 34724 1 51 . GLY . 34724 1 52 . PHE . 34724 1 53 . ALA . 34724 1 54 . PHE . 34724 1 55 . VAL . 34724 1 56 . GLU . 34724 1 57 . PHE . 34724 1 58 . GLU . 34724 1 59 . LEU . 34724 1 60 . ALA . 34724 1 61 . GLU . 34724 1 62 . ASP . 34724 1 63 . ALA . 34724 1 64 . ALA . 34724 1 65 . ALA . 34724 1 66 . ALA . 34724 1 67 . ILE . 34724 1 68 . ASP . 34724 1 69 . ASN . 34724 1 70 . MET . 34724 1 71 . ASN . 34724 1 72 . GLU . 34724 1 73 . SER . 34724 1 74 . GLU . 34724 1 75 . LEU . 34724 1 76 . PHE . 34724 1 77 . GLY . 34724 1 78 . ARG . 34724 1 79 . THR . 34724 1 80 . ILE . 34724 1 81 . ARG . 34724 1 82 . VAL . 34724 1 83 . ASN . 34724 1 84 . LEU . 34724 1 85 . ALA . 34724 1 86 . LYS . 34724 1 87 . PRO . 34724 1 88 . MET . 34724 1 89 . ARG . 34724 1 90 . ILE . 34724 1 91 . LYS . 34724 1 92 . GLU . 34724 1 93 . GLY . 34724 1 94 . SER . 34724 1 95 . SER . 34724 1 96 . ARG . 34724 1 97 . PRO . 34724 1 98 . VAL . 34724 1 99 . TRP . 34724 1 100 . SER . 34724 1 101 . ASP . 34724 1 102 . ASP . 34724 1 103 . ASP . 34724 1 104 . TRP . 34724 1 105 . LEU . 34724 1 106 . LYS . 34724 1 107 . LYS . 34724 1 108 . PHE . 34724 1 109 . SER . 34724 1 110 . GLY . 34724 1 111 . LYS . 34724 1 112 . THR . 34724 1 113 . LEU . 34724 1 114 . GLU . 34724 1 115 . GLU . 34724 1 116 . ASN . 34724 1 117 . LYS . 34724 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 34724 1 . GLY 2 2 34724 1 . HIS 3 3 34724 1 . MET 4 4 34724 1 . ALA 5 5 34724 1 . THR 6 6 34724 1 . THR 7 7 34724 1 . LYS 8 8 34724 1 . ARG 9 9 34724 1 . VAL 10 10 34724 1 . LEU 11 11 34724 1 . TYR 12 12 34724 1 . VAL 13 13 34724 1 . GLY 14 14 34724 1 . GLY 15 15 34724 1 . LEU 16 16 34724 1 . ALA 17 17 34724 1 . GLU 18 18 34724 1 . GLU 19 19 34724 1 . VAL 20 20 34724 1 . ASP 21 21 34724 1 . ASP 22 22 34724 1 . LYS 23 23 34724 1 . VAL 24 24 34724 1 . LEU 25 25 34724 1 . HIS 26 26 34724 1 . ALA 27 27 34724 1 . ALA 28 28 34724 1 . PHE 29 29 34724 1 . ILE 30 30 34724 1 . PRO 31 31 34724 1 . PHE 32 32 34724 1 . GLY 33 33 34724 1 . ASP 34 34 34724 1 . ILE 35 35 34724 1 . THR 36 36 34724 1 . ASP 37 37 34724 1 . ILE 38 38 34724 1 . GLN 39 39 34724 1 . ILE 40 40 34724 1 . PRO 41 41 34724 1 . LEU 42 42 34724 1 . ASP 43 43 34724 1 . TYR 44 44 34724 1 . GLU 45 45 34724 1 . THR 46 46 34724 1 . GLU 47 47 34724 1 . LYS 48 48 34724 1 . HIS 49 49 34724 1 . ARG 50 50 34724 1 . GLY 51 51 34724 1 . PHE 52 52 34724 1 . ALA 53 53 34724 1 . PHE 54 54 34724 1 . VAL 55 55 34724 1 . GLU 56 56 34724 1 . PHE 57 57 34724 1 . GLU 58 58 34724 1 . LEU 59 59 34724 1 . ALA 60 60 34724 1 . GLU 61 61 34724 1 . ASP 62 62 34724 1 . ALA 63 63 34724 1 . ALA 64 64 34724 1 . ALA 65 65 34724 1 . ALA 66 66 34724 1 . ILE 67 67 34724 1 . ASP 68 68 34724 1 . ASN 69 69 34724 1 . MET 70 70 34724 1 . ASN 71 71 34724 1 . GLU 72 72 34724 1 . SER 73 73 34724 1 . GLU 74 74 34724 1 . LEU 75 75 34724 1 . PHE 76 76 34724 1 . GLY 77 77 34724 1 . ARG 78 78 34724 1 . THR 79 79 34724 1 . ILE 80 80 34724 1 . ARG 81 81 34724 1 . VAL 82 82 34724 1 . ASN 83 83 34724 1 . LEU 84 84 34724 1 . ALA 85 85 34724 1 . LYS 86 86 34724 1 . PRO 87 87 34724 1 . MET 88 88 34724 1 . ARG 89 89 34724 1 . ILE 90 90 34724 1 . LYS 91 91 34724 1 . GLU 92 92 34724 1 . GLY 93 93 34724 1 . SER 94 94 34724 1 . SER 95 95 34724 1 . ARG 96 96 34724 1 . PRO 97 97 34724 1 . VAL 98 98 34724 1 . TRP 99 99 34724 1 . SER 100 100 34724 1 . ASP 101 101 34724 1 . ASP 102 102 34724 1 . ASP 103 103 34724 1 . TRP 104 104 34724 1 . LEU 105 105 34724 1 . LYS 106 106 34724 1 . LYS 107 107 34724 1 . PHE 108 108 34724 1 . SER 109 109 34724 1 . GLY 110 110 34724 1 . LYS 111 111 34724 1 . THR 112 112 34724 1 . LEU 113 113 34724 1 . GLU 114 114 34724 1 . GLU 115 115 34724 1 . ASN 116 116 34724 1 . LYS 117 117 34724 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34724 _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' . 34724 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 34724 _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' . 'NdeI plus XhoI' 562 Escherichia coli . . . PLASMID . . PTYB12 . . . 34724 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34724 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 15N] PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E, 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 . . . . 34724 1 2 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34724 1 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34724 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34724 _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, 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]' . . 1 $entity_1 . . 1 . . mM . . . . 34724 2 2 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 34724 2 3 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 34724 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 34724 _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 34724 1 pH 7 . pH 34724 1 pressure 1 . atm 34724 1 temperature 303.15 . K 34724 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34724 _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' . . 34724 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34724 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34724 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.96 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34724 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34724 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34724 _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 . . 34724 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34724 3 'peak picking' . 34724 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 34724 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34724 _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 . . . 34724 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 34724 _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 . . . . . . . . . . . . . . . . . 34724 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34724 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34724 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34724 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34724 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34724 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 34724 _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 . . . . . 34724 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34724 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34724 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 34724 _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' . . . 34724 1 2 '2D 1H-13C HSQC aliphatic' . . . 34724 1 3 '2D 1H-13C HSQC aromatic' . . . 34724 1 4 '3D 1H-15N NOESY' . . . 34724 1 5 '3D 1H-13C NOESY aliphatic' . . . 34724 1 6 '3D 1H-13C NOESY aromatic' . . . 34724 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 4.006 0.000 . . . . . . A -3 ALA HA . 34724 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.451 0.000 . . . . . . A -3 ALA HB1 . 34724 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.451 0.000 . . . . . . A -3 ALA HB2 . 34724 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.451 0.000 . . . . . . A -3 ALA HB3 . 34724 1 5 . 1 . 1 1 1 ALA CA C 13 52.085 0.000 . . . . . . A -3 ALA CA . 34724 1 6 . 1 . 1 1 1 ALA CB C 13 19.826 0.000 . . . . . . A -3 ALA CB . 34724 1 7 . 1 . 1 2 2 GLY HA2 H 1 3.935 0.000 . . . . . . A -2 GLY HA2 . 34724 1 8 . 1 . 1 2 2 GLY HA3 H 1 3.935 0.000 . . . . . . A -2 GLY HA3 . 34724 1 9 . 1 . 1 2 2 GLY CA C 13 45.119 0.000 . . . . . . A -2 GLY CA . 34724 1 10 . 1 . 1 3 3 HIS HA H 1 4.597 0.000 . . . . . . A -1 HIS HA . 34724 1 11 . 1 . 1 3 3 HIS HB2 H 1 3.059 0.000 . . . . . . A -1 HIS HB2 . 34724 1 12 . 1 . 1 3 3 HIS HB3 H 1 3.017 0.000 . . . . . . A -1 HIS HB3 . 34724 1 13 . 1 . 1 3 3 HIS HD2 H 1 6.948 0.000 . . . . . . A -1 HIS HD2 . 34724 1 14 . 1 . 1 3 3 HIS HE1 H 1 7.789 0.000 . . . . . . A -1 HIS HE1 . 34724 1 15 . 1 . 1 3 3 HIS CA C 13 56.500 0.000 . . . . . . A -1 HIS CA . 34724 1 16 . 1 . 1 3 3 HIS CB C 13 31.078 0.002 . . . . . . A -1 HIS CB . 34724 1 17 . 1 . 1 3 3 HIS CD2 C 13 119.820 0.000 . . . . . . A -1 HIS CD2 . 34724 1 18 . 1 . 1 3 3 HIS CE1 C 13 138.430 0.000 . . . . . . A -1 HIS CE1 . 34724 1 19 . 1 . 1 4 4 MET HA H 1 4.439 0.000 . . . . . . A 1 MET HA . 34724 1 20 . 1 . 1 4 4 MET HB2 H 1 2.472 0.000 . . . . . . A 1 MET HB2 . 34724 1 21 . 1 . 1 4 4 MET HB3 H 1 2.393 0.000 . . . . . . A 1 MET HB3 . 34724 1 22 . 1 . 1 4 4 MET HG2 H 1 1.986 0.000 . . . . . . A 1 MET HG2 . 34724 1 23 . 1 . 1 4 4 MET HG3 H 1 1.920 0.000 . . . . . . A 1 MET HG3 . 34724 1 24 . 1 . 1 4 4 MET HE1 H 1 2.003 0.000 . . . . . . A 1 MET HE1 . 34724 1 25 . 1 . 1 4 4 MET HE2 H 1 2.003 0.000 . . . . . . A 1 MET HE2 . 34724 1 26 . 1 . 1 4 4 MET HE3 H 1 2.003 0.000 . . . . . . A 1 MET HE3 . 34724 1 27 . 1 . 1 4 4 MET CA C 13 55.444 0.000 . . . . . . A 1 MET CA . 34724 1 28 . 1 . 1 4 4 MET CB C 13 31.997 0.001 . . . . . . A 1 MET CB . 34724 1 29 . 1 . 1 4 4 MET CG C 13 32.985 0.022 . . . . . . A 1 MET CG . 34724 1 30 . 1 . 1 4 4 MET CE C 13 16.982 0.000 . . . . . . A 1 MET CE . 34724 1 31 . 1 . 1 5 5 ALA H H 1 8.466 0.000 . . . . . . A 2 ALA H . 34724 1 32 . 1 . 1 5 5 ALA HA H 1 4.375 0.001 . . . . . . A 2 ALA HA . 34724 1 33 . 1 . 1 5 5 ALA HB1 H 1 1.381 0.002 . . . . . . A 2 ALA HB1 . 34724 1 34 . 1 . 1 5 5 ALA HB2 H 1 1.381 0.002 . . . . . . A 2 ALA HB2 . 34724 1 35 . 1 . 1 5 5 ALA HB3 H 1 1.381 0.002 . . . . . . A 2 ALA HB3 . 34724 1 36 . 1 . 1 5 5 ALA CA C 13 52.673 0.005 . . . . . . A 2 ALA CA . 34724 1 37 . 1 . 1 5 5 ALA CB C 13 19.418 0.004 . . . . . . A 2 ALA CB . 34724 1 38 . 1 . 1 5 5 ALA N N 15 125.350 0.000 . . . . . . A 2 ALA N . 34724 1 39 . 1 . 1 6 6 THR H H 1 8.142 0.001 . . . . . . A 3 THR H . 34724 1 40 . 1 . 1 6 6 THR HA H 1 4.395 0.002 . . . . . . A 3 THR HA . 34724 1 41 . 1 . 1 6 6 THR HB H 1 4.282 0.000 . . . . . . A 3 THR HB . 34724 1 42 . 1 . 1 6 6 THR HG21 H 1 1.199 0.000 . . . . . . A 3 THR HG21 . 34724 1 43 . 1 . 1 6 6 THR HG22 H 1 1.199 0.000 . . . . . . A 3 THR HG22 . 34724 1 44 . 1 . 1 6 6 THR HG23 H 1 1.199 0.000 . . . . . . A 3 THR HG23 . 34724 1 45 . 1 . 1 6 6 THR CA C 13 61.963 0.002 . . . . . . A 3 THR CA . 34724 1 46 . 1 . 1 6 6 THR CB C 13 69.817 0.009 . . . . . . A 3 THR CB . 34724 1 47 . 1 . 1 6 6 THR CG2 C 13 21.644 0.000 . . . . . . A 3 THR CG2 . 34724 1 48 . 1 . 1 6 6 THR N N 15 112.659 0.000 . . . . . . A 3 THR N . 34724 1 49 . 1 . 1 7 7 THR H H 1 8.054 0.003 . . . . . . A 4 THR H . 34724 1 50 . 1 . 1 7 7 THR HA H 1 4.409 0.000 . . . . . . A 4 THR HA . 34724 1 51 . 1 . 1 7 7 THR HB H 1 4.308 0.000 . . . . . . A 4 THR HB . 34724 1 52 . 1 . 1 7 7 THR HG21 H 1 1.228 0.000 . . . . . . A 4 THR HG21 . 34724 1 53 . 1 . 1 7 7 THR HG22 H 1 1.228 0.000 . . . . . . A 4 THR HG22 . 34724 1 54 . 1 . 1 7 7 THR HG23 H 1 1.228 0.000 . . . . . . A 4 THR HG23 . 34724 1 55 . 1 . 1 7 7 THR CA C 13 61.877 0.000 . . . . . . A 4 THR CA . 34724 1 56 . 1 . 1 7 7 THR CB C 13 69.958 0.000 . . . . . . A 4 THR CB . 34724 1 57 . 1 . 1 7 7 THR CG2 C 13 21.665 0.000 . . . . . . A 4 THR CG2 . 34724 1 58 . 1 . 1 7 7 THR N N 15 114.712 0.000 . . . . . . A 4 THR N . 34724 1 59 . 1 . 1 8 8 LYS H H 1 8.255 0.023 . . . . . . A 5 LYS H . 34724 1 60 . 1 . 1 8 8 LYS HA H 1 4.420 0.000 . . . . . . A 5 LYS HA . 34724 1 61 . 1 . 1 8 8 LYS HB2 H 1 2.001 0.001 . . . . . . A 5 LYS HB2 . 34724 1 62 . 1 . 1 8 8 LYS HB3 H 1 1.814 0.000 . . . . . . A 5 LYS HB3 . 34724 1 63 . 1 . 1 8 8 LYS HG2 H 1 1.502 0.001 . . . . . . A 5 LYS HG2 . 34724 1 64 . 1 . 1 8 8 LYS HG3 H 1 1.390 0.001 . . . . . . A 5 LYS HG3 . 34724 1 65 . 1 . 1 8 8 LYS HD2 H 1 1.644 0.003 . . . . . . A 5 LYS HD2 . 34724 1 66 . 1 . 1 8 8 LYS HD3 H 1 1.644 0.003 . . . . . . A 5 LYS HD3 . 34724 1 67 . 1 . 1 8 8 LYS HE2 H 1 2.926 0.004 . . . . . . A 5 LYS HE2 . 34724 1 68 . 1 . 1 8 8 LYS HE3 H 1 2.926 0.004 . . . . . . A 5 LYS HE3 . 34724 1 69 . 1 . 1 8 8 LYS CA C 13 56.889 0.026 . . . . . . A 5 LYS CA . 34724 1 70 . 1 . 1 8 8 LYS CB C 13 32.130 0.021 . . . . . . A 5 LYS CB . 34724 1 71 . 1 . 1 8 8 LYS CG C 13 25.178 0.058 . . . . . . A 5 LYS CG . 34724 1 72 . 1 . 1 8 8 LYS CD C 13 28.934 0.124 . . . . . . A 5 LYS CD . 34724 1 73 . 1 . 1 8 8 LYS CE C 13 42.278 0.001 . . . . . . A 5 LYS CE . 34724 1 74 . 1 . 1 8 8 LYS N N 15 120.051 0.000 . . . . . . A 5 LYS N . 34724 1 75 . 1 . 1 9 9 ARG H H 1 7.956 0.003 . . . . . . A 6 ARG H . 34724 1 76 . 1 . 1 9 9 ARG HA H 1 4.345 0.000 . . . . . . A 6 ARG HA . 34724 1 77 . 1 . 1 9 9 ARG HB2 H 1 2.249 0.006 . . . . . . A 6 ARG HB2 . 34724 1 78 . 1 . 1 9 9 ARG HB3 H 1 1.660 0.005 . . . . . . A 6 ARG HB3 . 34724 1 79 . 1 . 1 9 9 ARG HG2 H 1 1.639 0.011 . . . . . . A 6 ARG HG2 . 34724 1 80 . 1 . 1 9 9 ARG HG3 H 1 1.273 0.003 . . . . . . A 6 ARG HG3 . 34724 1 81 . 1 . 1 9 9 ARG HD2 H 1 3.339 0.004 . . . . . . A 6 ARG HD2 . 34724 1 82 . 1 . 1 9 9 ARG HD3 H 1 3.108 0.003 . . . . . . A 6 ARG HD3 . 34724 1 83 . 1 . 1 9 9 ARG CA C 13 56.366 0.036 . . . . . . A 6 ARG CA . 34724 1 84 . 1 . 1 9 9 ARG CB C 13 32.585 0.051 . . . . . . A 6 ARG CB . 34724 1 85 . 1 . 1 9 9 ARG CG C 13 27.574 0.043 . . . . . . A 6 ARG CG . 34724 1 86 . 1 . 1 9 9 ARG CD C 13 43.896 0.010 . . . . . . A 6 ARG CD . 34724 1 87 . 1 . 1 9 9 ARG N N 15 115.396 0.000 . . . . . . A 6 ARG N . 34724 1 88 . 1 . 1 10 10 VAL H H 1 7.598 0.003 . . . . . . A 7 VAL H . 34724 1 89 . 1 . 1 10 10 VAL HA H 1 4.617 0.011 . . . . . . A 7 VAL HA . 34724 1 90 . 1 . 1 10 10 VAL HB H 1 1.908 0.001 . . . . . . A 7 VAL HB . 34724 1 91 . 1 . 1 10 10 VAL HG11 H 1 0.828 0.003 . . . . . . A 7 VAL HG11 . 34724 1 92 . 1 . 1 10 10 VAL HG12 H 1 0.828 0.003 . . . . . . A 7 VAL HG12 . 34724 1 93 . 1 . 1 10 10 VAL HG13 H 1 0.828 0.003 . . . . . . A 7 VAL HG13 . 34724 1 94 . 1 . 1 10 10 VAL HG21 H 1 0.703 0.001 . . . . . . A 7 VAL HG21 . 34724 1 95 . 1 . 1 10 10 VAL HG22 H 1 0.703 0.001 . . . . . . A 7 VAL HG22 . 34724 1 96 . 1 . 1 10 10 VAL HG23 H 1 0.703 0.001 . . . . . . A 7 VAL HG23 . 34724 1 97 . 1 . 1 10 10 VAL CA C 13 61.503 0.021 . . . . . . A 7 VAL CA . 34724 1 98 . 1 . 1 10 10 VAL CB C 13 32.691 0.054 . . . . . . A 7 VAL CB . 34724 1 99 . 1 . 1 10 10 VAL CG1 C 13 21.698 0.046 . . . . . . A 7 VAL CG1 . 34724 1 100 . 1 . 1 10 10 VAL CG2 C 13 22.103 0.027 . . . . . . A 7 VAL CG2 . 34724 1 101 . 1 . 1 10 10 VAL N N 15 117.796 0.000 . . . . . . A 7 VAL N . 34724 1 102 . 1 . 1 11 11 LEU H H 1 9.592 0.002 . . . . . . A 8 LEU H . 34724 1 103 . 1 . 1 11 11 LEU HA H 1 4.939 0.002 . . . . . . A 8 LEU HA . 34724 1 104 . 1 . 1 11 11 LEU HB2 H 1 1.651 0.002 . . . . . . A 8 LEU HB2 . 34724 1 105 . 1 . 1 11 11 LEU HB3 H 1 1.254 0.002 . . . . . . A 8 LEU HB3 . 34724 1 106 . 1 . 1 11 11 LEU HG H 1 1.778 0.000 . . . . . . A 8 LEU HG . 34724 1 107 . 1 . 1 11 11 LEU HD11 H 1 0.682 0.000 . . . . . . A 8 LEU HD11 . 34724 1 108 . 1 . 1 11 11 LEU HD12 H 1 0.682 0.000 . . . . . . A 8 LEU HD12 . 34724 1 109 . 1 . 1 11 11 LEU HD13 H 1 0.682 0.000 . . . . . . A 8 LEU HD13 . 34724 1 110 . 1 . 1 11 11 LEU HD21 H 1 0.819 0.002 . . . . . . A 8 LEU HD21 . 34724 1 111 . 1 . 1 11 11 LEU HD22 H 1 0.819 0.002 . . . . . . A 8 LEU HD22 . 34724 1 112 . 1 . 1 11 11 LEU HD23 H 1 0.819 0.002 . . . . . . A 8 LEU HD23 . 34724 1 113 . 1 . 1 11 11 LEU CA C 13 53.533 0.030 . . . . . . A 8 LEU CA . 34724 1 114 . 1 . 1 11 11 LEU CB C 13 43.168 0.032 . . . . . . A 8 LEU CB . 34724 1 115 . 1 . 1 11 11 LEU CG C 13 27.096 0.013 . . . . . . A 8 LEU CG . 34724 1 116 . 1 . 1 11 11 LEU CD1 C 13 25.005 0.021 . . . . . . A 8 LEU CD1 . 34724 1 117 . 1 . 1 11 11 LEU CD2 C 13 26.565 0.018 . . . . . . A 8 LEU CD2 . 34724 1 118 . 1 . 1 11 11 LEU N N 15 127.505 0.000 . . . . . . A 8 LEU N . 34724 1 119 . 1 . 1 12 12 TYR H H 1 9.169 0.007 . . . . . . A 9 TYR H . 34724 1 120 . 1 . 1 12 12 TYR HA H 1 4.467 0.003 . . . . . . A 9 TYR HA . 34724 1 121 . 1 . 1 12 12 TYR HB2 H 1 2.760 0.001 . . . . . . A 9 TYR HB2 . 34724 1 122 . 1 . 1 12 12 TYR HB3 H 1 2.760 0.001 . . . . . . A 9 TYR HB3 . 34724 1 123 . 1 . 1 12 12 TYR HD1 H 1 6.611 0.000 . . . . . . A 9 TYR HD1 . 34724 1 124 . 1 . 1 12 12 TYR HD2 H 1 6.611 0.000 . . . . . . A 9 TYR HD2 . 34724 1 125 . 1 . 1 12 12 TYR HE1 H 1 6.114 0.000 . . . . . . A 9 TYR HE1 . 34724 1 126 . 1 . 1 12 12 TYR HE2 H 1 6.114 0.000 . . . . . . A 9 TYR HE2 . 34724 1 127 . 1 . 1 12 12 TYR CA C 13 56.245 0.000 . . . . . . A 9 TYR CA . 34724 1 128 . 1 . 1 12 12 TYR CB C 13 40.114 0.004 . . . . . . A 9 TYR CB . 34724 1 129 . 1 . 1 12 12 TYR CD1 C 13 133.498 0.000 . . . . . . A 9 TYR CD1 . 34724 1 130 . 1 . 1 12 12 TYR CE1 C 13 117.877 0.000 . . . . . . A 9 TYR CE1 . 34724 1 131 . 1 . 1 12 12 TYR N N 15 123.768 0.000 . . . . . . A 9 TYR N . 34724 1 132 . 1 . 1 13 13 VAL H H 1 8.112 0.009 . . . . . . A 10 VAL H . 34724 1 133 . 1 . 1 13 13 VAL HA H 1 4.659 0.000 . . . . . . A 10 VAL HA . 34724 1 134 . 1 . 1 13 13 VAL HB H 1 1.536 0.003 . . . . . . A 10 VAL HB . 34724 1 135 . 1 . 1 13 13 VAL HG11 H 1 0.762 0.000 . . . . . . A 10 VAL HG11 . 34724 1 136 . 1 . 1 13 13 VAL HG12 H 1 0.762 0.000 . . . . . . A 10 VAL HG12 . 34724 1 137 . 1 . 1 13 13 VAL HG13 H 1 0.762 0.000 . . . . . . A 10 VAL HG13 . 34724 1 138 . 1 . 1 13 13 VAL HG21 H 1 0.487 0.000 . . . . . . A 10 VAL HG21 . 34724 1 139 . 1 . 1 13 13 VAL HG22 H 1 0.487 0.000 . . . . . . A 10 VAL HG22 . 34724 1 140 . 1 . 1 13 13 VAL HG23 H 1 0.487 0.000 . . . . . . A 10 VAL HG23 . 34724 1 141 . 1 . 1 13 13 VAL CA C 13 60.693 0.040 . . . . . . A 10 VAL CA . 34724 1 142 . 1 . 1 13 13 VAL CB C 13 33.178 0.008 . . . . . . A 10 VAL CB . 34724 1 143 . 1 . 1 13 13 VAL CG1 C 13 22.065 0.012 . . . . . . A 10 VAL CG1 . 34724 1 144 . 1 . 1 13 13 VAL CG2 C 13 21.101 0.008 . . . . . . A 10 VAL CG2 . 34724 1 145 . 1 . 1 13 13 VAL N N 15 127.336 0.000 . . . . . . A 10 VAL N . 34724 1 146 . 1 . 1 14 14 GLY H H 1 9.233 0.006 . . . . . . A 11 GLY H . 34724 1 147 . 1 . 1 14 14 GLY HA2 H 1 4.783 0.002 . . . . . . A 11 GLY HA2 . 34724 1 148 . 1 . 1 14 14 GLY HA3 H 1 3.581 0.007 . . . . . . A 11 GLY HA3 . 34724 1 149 . 1 . 1 14 14 GLY CA C 13 43.190 0.041 . . . . . . A 11 GLY CA . 34724 1 150 . 1 . 1 14 14 GLY N N 15 112.370 0.000 . . . . . . A 11 GLY N . 34724 1 151 . 1 . 1 15 15 GLY H H 1 8.095 0.001 . . . . . . A 12 GLY H . 34724 1 152 . 1 . 1 15 15 GLY HA2 H 1 3.742 0.005 . . . . . . A 12 GLY HA2 . 34724 1 153 . 1 . 1 15 15 GLY HA3 H 1 4.376 0.006 . . . . . . A 12 GLY HA3 . 34724 1 154 . 1 . 1 15 15 GLY CA C 13 46.000 0.043 . . . . . . A 12 GLY CA . 34724 1 155 . 1 . 1 15 15 GLY N N 15 107.594 0.000 . . . . . . A 12 GLY N . 34724 1 156 . 1 . 1 16 16 LEU H H 1 7.945 0.007 . . . . . . A 13 LEU H . 34724 1 157 . 1 . 1 16 16 LEU HA H 1 4.048 0.001 . . . . . . A 13 LEU HA . 34724 1 158 . 1 . 1 16 16 LEU HB2 H 1 1.138 0.004 . . . . . . A 13 LEU HB2 . 34724 1 159 . 1 . 1 16 16 LEU HB3 H 1 0.848 0.001 . . . . . . A 13 LEU HB3 . 34724 1 160 . 1 . 1 16 16 LEU HG H 1 1.288 0.000 . . . . . . A 13 LEU HG . 34724 1 161 . 1 . 1 16 16 LEU HD11 H 1 0.194 0.000 . . . . . . A 13 LEU HD11 . 34724 1 162 . 1 . 1 16 16 LEU HD12 H 1 0.194 0.000 . . . . . . A 13 LEU HD12 . 34724 1 163 . 1 . 1 16 16 LEU HD13 H 1 0.194 0.000 . . . . . . A 13 LEU HD13 . 34724 1 164 . 1 . 1 16 16 LEU HD21 H 1 0.503 0.000 . . . . . . A 13 LEU HD21 . 34724 1 165 . 1 . 1 16 16 LEU HD22 H 1 0.503 0.000 . . . . . . A 13 LEU HD22 . 34724 1 166 . 1 . 1 16 16 LEU HD23 H 1 0.503 0.000 . . . . . . A 13 LEU HD23 . 34724 1 167 . 1 . 1 16 16 LEU CA C 13 53.912 0.002 . . . . . . A 13 LEU CA . 34724 1 168 . 1 . 1 16 16 LEU CB C 13 42.248 0.030 . . . . . . A 13 LEU CB . 34724 1 169 . 1 . 1 16 16 LEU CG C 13 26.402 0.018 . . . . . . A 13 LEU CG . 34724 1 170 . 1 . 1 16 16 LEU CD1 C 13 25.604 0.007 . . . . . . A 13 LEU CD1 . 34724 1 171 . 1 . 1 16 16 LEU CD2 C 13 22.498 0.001 . . . . . . A 13 LEU CD2 . 34724 1 172 . 1 . 1 16 16 LEU N N 15 116.421 0.000 . . . . . . A 13 LEU N . 34724 1 173 . 1 . 1 17 17 ALA H H 1 8.492 0.005 . . . . . . A 14 ALA H . 34724 1 174 . 1 . 1 17 17 ALA HA H 1 4.263 0.002 . . . . . . A 14 ALA HA . 34724 1 175 . 1 . 1 17 17 ALA HB1 H 1 1.643 0.001 . . . . . . A 14 ALA HB1 . 34724 1 176 . 1 . 1 17 17 ALA HB2 H 1 1.643 0.001 . . . . . . A 14 ALA HB2 . 34724 1 177 . 1 . 1 17 17 ALA HB3 H 1 1.643 0.001 . . . . . . A 14 ALA HB3 . 34724 1 178 . 1 . 1 17 17 ALA CA C 13 51.529 0.031 . . . . . . A 14 ALA CA . 34724 1 179 . 1 . 1 17 17 ALA CB C 13 19.761 0.012 . . . . . . A 14 ALA CB . 34724 1 180 . 1 . 1 17 17 ALA N N 15 126.618 0.000 . . . . . . A 14 ALA N . 34724 1 181 . 1 . 1 18 18 GLU H H 1 9.025 0.005 . . . . . . A 15 GLU H . 34724 1 182 . 1 . 1 18 18 GLU HA H 1 3.588 0.000 . . . . . . A 15 GLU HA . 34724 1 183 . 1 . 1 18 18 GLU HB2 H 1 1.948 0.001 . . . . . . A 15 GLU HB2 . 34724 1 184 . 1 . 1 18 18 GLU HB3 H 1 1.848 0.001 . . . . . . A 15 GLU HB3 . 34724 1 185 . 1 . 1 18 18 GLU HG2 H 1 2.198 0.002 . . . . . . A 15 GLU HG2 . 34724 1 186 . 1 . 1 18 18 GLU HG3 H 1 2.198 0.002 . . . . . . A 15 GLU HG3 . 34724 1 187 . 1 . 1 18 18 GLU CA C 13 60.127 0.003 . . . . . . A 15 GLU CA . 34724 1 188 . 1 . 1 18 18 GLU CB C 13 29.601 0.018 . . . . . . A 15 GLU CB . 34724 1 189 . 1 . 1 18 18 GLU CG C 13 36.712 0.107 . . . . . . A 15 GLU CG . 34724 1 190 . 1 . 1 18 18 GLU N N 15 122.657 0.000 . . . . . . A 15 GLU N . 34724 1 191 . 1 . 1 19 19 GLU H H 1 8.971 0.003 . . . . . . A 16 GLU H . 34724 1 192 . 1 . 1 19 19 GLU HA H 1 3.970 0.001 . . . . . . A 16 GLU HA . 34724 1 193 . 1 . 1 19 19 GLU HB2 H 1 1.774 0.000 . . . . . . A 16 GLU HB2 . 34724 1 194 . 1 . 1 19 19 GLU HB3 H 1 1.507 0.002 . . . . . . A 16 GLU HB3 . 34724 1 195 . 1 . 1 19 19 GLU HG2 H 1 2.225 0.001 . . . . . . A 16 GLU HG2 . 34724 1 196 . 1 . 1 19 19 GLU HG3 H 1 2.086 0.003 . . . . . . A 16 GLU HG3 . 34724 1 197 . 1 . 1 19 19 GLU CA C 13 58.103 0.013 . . . . . . A 16 GLU CA . 34724 1 198 . 1 . 1 19 19 GLU CB C 13 29.109 0.014 . . . . . . A 16 GLU CB . 34724 1 199 . 1 . 1 19 19 GLU CG C 13 36.993 0.008 . . . . . . A 16 GLU CG . 34724 1 200 . 1 . 1 19 19 GLU N N 15 114.296 0.000 . . . . . . A 16 GLU N . 34724 1 201 . 1 . 1 20 20 VAL H H 1 7.470 0.003 . . . . . . A 17 VAL H . 34724 1 202 . 1 . 1 20 20 VAL HA H 1 3.084 0.000 . . . . . . A 17 VAL HA . 34724 1 203 . 1 . 1 20 20 VAL HB H 1 2.036 0.001 . . . . . . A 17 VAL HB . 34724 1 204 . 1 . 1 20 20 VAL HG11 H 1 0.706 0.001 . . . . . . A 17 VAL HG11 . 34724 1 205 . 1 . 1 20 20 VAL HG12 H 1 0.706 0.001 . . . . . . A 17 VAL HG12 . 34724 1 206 . 1 . 1 20 20 VAL HG13 H 1 0.706 0.001 . . . . . . A 17 VAL HG13 . 34724 1 207 . 1 . 1 20 20 VAL HG21 H 1 0.782 0.000 . . . . . . A 17 VAL HG21 . 34724 1 208 . 1 . 1 20 20 VAL HG22 H 1 0.782 0.000 . . . . . . A 17 VAL HG22 . 34724 1 209 . 1 . 1 20 20 VAL HG23 H 1 0.782 0.000 . . . . . . A 17 VAL HG23 . 34724 1 210 . 1 . 1 20 20 VAL CA C 13 65.357 0.027 . . . . . . A 17 VAL CA . 34724 1 211 . 1 . 1 20 20 VAL CB C 13 30.829 0.013 . . . . . . A 17 VAL CB . 34724 1 212 . 1 . 1 20 20 VAL CG1 C 13 22.296 0.013 . . . . . . A 17 VAL CG1 . 34724 1 213 . 1 . 1 20 20 VAL CG2 C 13 23.283 0.037 . . . . . . A 17 VAL CG2 . 34724 1 214 . 1 . 1 20 20 VAL N N 15 119.231 0.000 . . . . . . A 17 VAL N . 34724 1 215 . 1 . 1 21 21 ASP H H 1 6.715 0.006 . . . . . . A 18 ASP H . 34724 1 216 . 1 . 1 21 21 ASP HA H 1 4.644 0.002 . . . . . . A 18 ASP HA . 34724 1 217 . 1 . 1 21 21 ASP HB2 H 1 3.140 0.001 . . . . . . A 18 ASP HB2 . 34724 1 218 . 1 . 1 21 21 ASP HB3 H 1 2.721 0.004 . . . . . . A 18 ASP HB3 . 34724 1 219 . 1 . 1 21 21 ASP CA C 13 51.497 0.012 . . . . . . A 18 ASP CA . 34724 1 220 . 1 . 1 21 21 ASP CB C 13 42.843 0.029 . . . . . . A 18 ASP CB . 34724 1 221 . 1 . 1 21 21 ASP N N 15 125.199 0.000 . . . . . . A 18 ASP N . 34724 1 222 . 1 . 1 22 22 ASP H H 1 8.733 0.003 . . . . . . A 19 ASP H . 34724 1 223 . 1 . 1 22 22 ASP HA H 1 3.895 0.001 . . . . . . A 19 ASP HA . 34724 1 224 . 1 . 1 22 22 ASP HB2 H 1 2.573 0.001 . . . . . . A 19 ASP HB2 . 34724 1 225 . 1 . 1 22 22 ASP HB3 H 1 2.573 0.001 . . . . . . A 19 ASP HB3 . 34724 1 226 . 1 . 1 22 22 ASP CA C 13 57.581 0.019 . . . . . . A 19 ASP CA . 34724 1 227 . 1 . 1 22 22 ASP CB C 13 39.290 0.003 . . . . . . A 19 ASP CB . 34724 1 228 . 1 . 1 22 22 ASP N N 15 115.981 0.000 . . . . . . A 19 ASP N . 34724 1 229 . 1 . 1 23 23 LYS H H 1 7.602 0.002 . . . . . . A 20 LYS H . 34724 1 230 . 1 . 1 23 23 LYS HA H 1 4.052 0.000 . . . . . . A 20 LYS HA . 34724 1 231 . 1 . 1 23 23 LYS HB2 H 1 2.082 0.002 . . . . . . A 20 LYS HB2 . 34724 1 232 . 1 . 1 23 23 LYS HB3 H 1 1.865 0.000 . . . . . . A 20 LYS HB3 . 34724 1 233 . 1 . 1 23 23 LYS HG2 H 1 1.401 0.000 . . . . . . A 20 LYS HG2 . 34724 1 234 . 1 . 1 23 23 LYS HG3 H 1 1.501 0.000 . . . . . . A 20 LYS HG3 . 34724 1 235 . 1 . 1 23 23 LYS HD2 H 1 1.650 0.000 . . . . . . A 20 LYS HD2 . 34724 1 236 . 1 . 1 23 23 LYS HD3 H 1 1.650 0.000 . . . . . . A 20 LYS HD3 . 34724 1 237 . 1 . 1 23 23 LYS HE2 H 1 2.974 0.000 . . . . . . A 20 LYS HE2 . 34724 1 238 . 1 . 1 23 23 LYS HE3 H 1 2.974 0.000 . . . . . . A 20 LYS HE3 . 34724 1 239 . 1 . 1 23 23 LYS CA C 13 59.427 0.013 . . . . . . A 20 LYS CA . 34724 1 240 . 1 . 1 23 23 LYS CB C 13 31.648 0.026 . . . . . . A 20 LYS CB . 34724 1 241 . 1 . 1 23 23 LYS CG C 13 25.165 0.004 . . . . . . A 20 LYS CG . 34724 1 242 . 1 . 1 23 23 LYS CD C 13 28.796 0.013 . . . . . . A 20 LYS CD . 34724 1 243 . 1 . 1 23 23 LYS CE C 13 42.013 0.010 . . . . . . A 20 LYS CE . 34724 1 244 . 1 . 1 23 23 LYS N N 15 121.233 0.000 . . . . . . A 20 LYS N . 34724 1 245 . 1 . 1 24 24 VAL H H 1 8.240 0.001 . . . . . . A 21 VAL H . 34724 1 246 . 1 . 1 24 24 VAL HA H 1 3.774 0.000 . . . . . . A 21 VAL HA . 34724 1 247 . 1 . 1 24 24 VAL HB H 1 2.159 0.000 . . . . . . A 21 VAL HB . 34724 1 248 . 1 . 1 24 24 VAL HG11 H 1 1.232 0.000 . . . . . . A 21 VAL HG11 . 34724 1 249 . 1 . 1 24 24 VAL HG12 H 1 1.232 0.000 . . . . . . A 21 VAL HG12 . 34724 1 250 . 1 . 1 24 24 VAL HG13 H 1 1.232 0.000 . . . . . . A 21 VAL HG13 . 34724 1 251 . 1 . 1 24 24 VAL HG21 H 1 0.932 0.000 . . . . . . A 21 VAL HG21 . 34724 1 252 . 1 . 1 24 24 VAL HG22 H 1 0.932 0.000 . . . . . . A 21 VAL HG22 . 34724 1 253 . 1 . 1 24 24 VAL HG23 H 1 0.932 0.000 . . . . . . A 21 VAL HG23 . 34724 1 254 . 1 . 1 24 24 VAL CA C 13 65.963 0.009 . . . . . . A 21 VAL CA . 34724 1 255 . 1 . 1 24 24 VAL CB C 13 32.396 0.009 . . . . . . A 21 VAL CB . 34724 1 256 . 1 . 1 24 24 VAL CG1 C 13 22.499 0.000 . . . . . . A 21 VAL CG1 . 34724 1 257 . 1 . 1 24 24 VAL CG2 C 13 22.440 0.008 . . . . . . A 21 VAL CG2 . 34724 1 258 . 1 . 1 24 24 VAL N N 15 122.151 0.000 . . . . . . A 21 VAL N . 34724 1 259 . 1 . 1 25 25 LEU H H 1 7.981 0.002 . . . . . . A 22 LEU H . 34724 1 260 . 1 . 1 25 25 LEU HA H 1 4.035 0.000 . . . . . . A 22 LEU HA . 34724 1 261 . 1 . 1 25 25 LEU HB2 H 1 1.220 0.000 . . . . . . A 22 LEU HB2 . 34724 1 262 . 1 . 1 25 25 LEU HB3 H 1 1.710 0.001 . . . . . . A 22 LEU HB3 . 34724 1 263 . 1 . 1 25 25 LEU HG H 1 1.496 0.000 . . . . . . A 22 LEU HG . 34724 1 264 . 1 . 1 25 25 LEU HD11 H 1 0.416 0.000 . . . . . . A 22 LEU HD11 . 34724 1 265 . 1 . 1 25 25 LEU HD12 H 1 0.416 0.000 . . . . . . A 22 LEU HD12 . 34724 1 266 . 1 . 1 25 25 LEU HD13 H 1 0.416 0.000 . . . . . . A 22 LEU HD13 . 34724 1 267 . 1 . 1 25 25 LEU HD21 H 1 0.573 0.000 . . . . . . A 22 LEU HD21 . 34724 1 268 . 1 . 1 25 25 LEU HD22 H 1 0.573 0.000 . . . . . . A 22 LEU HD22 . 34724 1 269 . 1 . 1 25 25 LEU HD23 H 1 0.573 0.000 . . . . . . A 22 LEU HD23 . 34724 1 270 . 1 . 1 25 25 LEU CA C 13 57.974 0.000 . . . . . . A 22 LEU CA . 34724 1 271 . 1 . 1 25 25 LEU CB C 13 42.588 0.006 . . . . . . A 22 LEU CB . 34724 1 272 . 1 . 1 25 25 LEU CG C 13 26.266 0.000 . . . . . . A 22 LEU CG . 34724 1 273 . 1 . 1 25 25 LEU CD1 C 13 26.095 0.024 . . . . . . A 22 LEU CD1 . 34724 1 274 . 1 . 1 25 25 LEU CD2 C 13 23.770 0.004 . . . . . . A 22 LEU CD2 . 34724 1 275 . 1 . 1 25 25 LEU N N 15 118.521 0.000 . . . . . . A 22 LEU N . 34724 1 276 . 1 . 1 26 26 HIS H H 1 8.573 0.001 . . . . . . A 23 HIS H . 34724 1 277 . 1 . 1 26 26 HIS HA H 1 3.777 0.000 . . . . . . A 23 HIS HA . 34724 1 278 . 1 . 1 26 26 HIS HB2 H 1 3.129 0.001 . . . . . . A 23 HIS HB2 . 34724 1 279 . 1 . 1 26 26 HIS HB3 H 1 3.094 0.001 . . . . . . A 23 HIS HB3 . 34724 1 280 . 1 . 1 26 26 HIS HD2 H 1 6.735 0.000 . . . . . . A 23 HIS HD2 . 34724 1 281 . 1 . 1 26 26 HIS HE1 H 1 7.746 0.000 . . . . . . A 23 HIS HE1 . 34724 1 282 . 1 . 1 26 26 HIS CA C 13 61.982 0.006 . . . . . . A 23 HIS CA . 34724 1 283 . 1 . 1 26 26 HIS CB C 13 30.643 0.022 . . . . . . A 23 HIS CB . 34724 1 284 . 1 . 1 26 26 HIS CD2 C 13 118.397 0.000 . . . . . . A 23 HIS CD2 . 34724 1 285 . 1 . 1 26 26 HIS CE1 C 13 138.008 0.000 . . . . . . A 23 HIS CE1 . 34724 1 286 . 1 . 1 26 26 HIS N N 15 119.174 0.000 . . . . . . A 23 HIS N . 34724 1 287 . 1 . 1 27 27 ALA H H 1 7.800 0.008 . . . . . . A 24 ALA H . 34724 1 288 . 1 . 1 27 27 ALA HA H 1 4.091 0.002 . . . . . . A 24 ALA HA . 34724 1 289 . 1 . 1 27 27 ALA HB1 H 1 1.543 0.000 . . . . . . A 24 ALA HB1 . 34724 1 290 . 1 . 1 27 27 ALA HB2 H 1 1.543 0.000 . . . . . . A 24 ALA HB2 . 34724 1 291 . 1 . 1 27 27 ALA HB3 H 1 1.543 0.000 . . . . . . A 24 ALA HB3 . 34724 1 292 . 1 . 1 27 27 ALA CA C 13 54.815 0.017 . . . . . . A 24 ALA CA . 34724 1 293 . 1 . 1 27 27 ALA CB C 13 18.207 0.004 . . . . . . A 24 ALA CB . 34724 1 294 . 1 . 1 27 27 ALA N N 15 117.816 0.000 . . . . . . A 24 ALA N . 34724 1 295 . 1 . 1 28 28 ALA H H 1 7.829 0.004 . . . . . . A 25 ALA H . 34724 1 296 . 1 . 1 28 28 ALA HA H 1 4.125 0.000 . . . . . . A 25 ALA HA . 34724 1 297 . 1 . 1 28 28 ALA HB1 H 1 1.324 0.000 . . . . . . A 25 ALA HB1 . 34724 1 298 . 1 . 1 28 28 ALA HB2 H 1 1.324 0.000 . . . . . . A 25 ALA HB2 . 34724 1 299 . 1 . 1 28 28 ALA HB3 H 1 1.324 0.000 . . . . . . A 25 ALA HB3 . 34724 1 300 . 1 . 1 28 28 ALA CA C 13 53.631 0.000 . . . . . . A 25 ALA CA . 34724 1 301 . 1 . 1 28 28 ALA CB C 13 18.721 0.004 . . . . . . A 25 ALA CB . 34724 1 302 . 1 . 1 28 28 ALA N N 15 117.217 0.000 . . . . . . A 25 ALA N . 34724 1 303 . 1 . 1 29 29 PHE H H 1 7.806 0.004 . . . . . . A 26 PHE H . 34724 1 304 . 1 . 1 29 29 PHE HA H 1 4.951 0.001 . . . . . . A 26 PHE HA . 34724 1 305 . 1 . 1 29 29 PHE HB2 H 1 2.831 0.001 . . . . . . A 26 PHE HB2 . 34724 1 306 . 1 . 1 29 29 PHE HB3 H 1 3.385 0.002 . . . . . . A 26 PHE HB3 . 34724 1 307 . 1 . 1 29 29 PHE HD1 H 1 7.669 0.000 . . . . . . A 26 PHE HD1 . 34724 1 308 . 1 . 1 29 29 PHE HD2 H 1 7.669 0.000 . . . . . . A 26 PHE HD2 . 34724 1 309 . 1 . 1 29 29 PHE HE1 H 1 6.876 0.000 . . . . . . A 26 PHE HE1 . 34724 1 310 . 1 . 1 29 29 PHE HE2 H 1 6.876 0.000 . . . . . . A 26 PHE HE2 . 34724 1 311 . 1 . 1 29 29 PHE HZ H 1 6.886 0.002 . . . . . . A 26 PHE HZ . 34724 1 312 . 1 . 1 29 29 PHE CA C 13 60.385 0.030 . . . . . . A 26 PHE CA . 34724 1 313 . 1 . 1 29 29 PHE CB C 13 40.666 0.014 . . . . . . A 26 PHE CB . 34724 1 314 . 1 . 1 29 29 PHE CD1 C 13 131.711 0.002 . . . . . . A 26 PHE CD1 . 34724 1 315 . 1 . 1 29 29 PHE CE1 C 13 130.211 0.000 . . . . . . A 26 PHE CE1 . 34724 1 316 . 1 . 1 29 29 PHE CZ C 13 128.741 0.005 . . . . . . A 26 PHE CZ . 34724 1 317 . 1 . 1 29 29 PHE N N 15 112.232 0.000 . . . . . . A 26 PHE N . 34724 1 318 . 1 . 1 30 30 ILE H H 1 8.621 0.005 . . . . . . A 27 ILE H . 34724 1 319 . 1 . 1 30 30 ILE HA H 1 4.684 0.000 . . . . . . A 27 ILE HA . 34724 1 320 . 1 . 1 30 30 ILE HB H 1 1.522 0.002 . . . . . . A 27 ILE HB . 34724 1 321 . 1 . 1 30 30 ILE HG12 H 1 1.292 0.000 . . . . . . A 27 ILE HG12 . 34724 1 322 . 1 . 1 30 30 ILE HG13 H 1 1.391 0.002 . . . . . . A 27 ILE HG13 . 34724 1 323 . 1 . 1 30 30 ILE HG21 H 1 0.904 0.000 . . . . . . A 27 ILE HG21 . 34724 1 324 . 1 . 1 30 30 ILE HG22 H 1 0.904 0.000 . . . . . . A 27 ILE HG22 . 34724 1 325 . 1 . 1 30 30 ILE HG23 H 1 0.904 0.000 . . . . . . A 27 ILE HG23 . 34724 1 326 . 1 . 1 30 30 ILE HD11 H 1 1.063 0.000 . . . . . . A 27 ILE HD11 . 34724 1 327 . 1 . 1 30 30 ILE HD12 H 1 1.063 0.000 . . . . . . A 27 ILE HD12 . 34724 1 328 . 1 . 1 30 30 ILE HD13 H 1 1.063 0.000 . . . . . . A 27 ILE HD13 . 34724 1 329 . 1 . 1 30 30 ILE CA C 13 61.944 0.000 . . . . . . A 27 ILE CA . 34724 1 330 . 1 . 1 30 30 ILE CB C 13 38.411 0.011 . . . . . . A 27 ILE CB . 34724 1 331 . 1 . 1 30 30 ILE CG1 C 13 29.711 0.014 . . . . . . A 27 ILE CG1 . 34724 1 332 . 1 . 1 30 30 ILE CG2 C 13 19.528 0.003 . . . . . . A 27 ILE CG2 . 34724 1 333 . 1 . 1 30 30 ILE CD1 C 13 14.554 0.002 . . . . . . A 27 ILE CD1 . 34724 1 334 . 1 . 1 30 30 ILE N N 15 123.398 0.000 . . . . . . A 27 ILE N . 34724 1 335 . 1 . 1 31 31 PRO HA H 1 4.089 0.000 . . . . . . A 28 PRO HA . 34724 1 336 . 1 . 1 31 31 PRO HB2 H 1 0.374 0.000 . . . . . . A 28 PRO HB2 . 34724 1 337 . 1 . 1 31 31 PRO HB3 H 1 1.905 0.000 . . . . . . A 28 PRO HB3 . 34724 1 338 . 1 . 1 31 31 PRO HG2 H 1 1.597 0.000 . . . . . . A 28 PRO HG2 . 34724 1 339 . 1 . 1 31 31 PRO HG3 H 1 1.597 0.000 . . . . . . A 28 PRO HG3 . 34724 1 340 . 1 . 1 31 31 PRO HD2 H 1 2.887 0.000 . . . . . . A 28 PRO HD2 . 34724 1 341 . 1 . 1 31 31 PRO HD3 H 1 3.753 0.000 . . . . . . A 28 PRO HD3 . 34724 1 342 . 1 . 1 31 31 PRO CA C 13 65.394 0.000 . . . . . . A 28 PRO CA . 34724 1 343 . 1 . 1 31 31 PRO CB C 13 30.799 0.014 . . . . . . A 28 PRO CB . 34724 1 344 . 1 . 1 31 31 PRO CG C 13 28.404 0.000 . . . . . . A 28 PRO CG . 34724 1 345 . 1 . 1 31 31 PRO CD C 13 52.206 0.002 . . . . . . A 28 PRO CD . 34724 1 346 . 1 . 1 32 32 PHE H H 1 7.531 0.008 . . . . . . A 29 PHE H . 34724 1 347 . 1 . 1 32 32 PHE HA H 1 4.153 0.001 . . . . . . A 29 PHE HA . 34724 1 348 . 1 . 1 32 32 PHE HB2 H 1 3.279 0.002 . . . . . . A 29 PHE HB2 . 34724 1 349 . 1 . 1 32 32 PHE HB3 H 1 2.978 0.000 . . . . . . A 29 PHE HB3 . 34724 1 350 . 1 . 1 32 32 PHE HD1 H 1 7.164 0.001 . . . . . . A 29 PHE HD1 . 34724 1 351 . 1 . 1 32 32 PHE HD2 H 1 7.164 0.001 . . . . . . A 29 PHE HD2 . 34724 1 352 . 1 . 1 32 32 PHE HE1 H 1 7.528 0.000 . . . . . . A 29 PHE HE1 . 34724 1 353 . 1 . 1 32 32 PHE HE2 H 1 7.528 0.000 . . . . . . A 29 PHE HE2 . 34724 1 354 . 1 . 1 32 32 PHE HZ H 1 7.309 0.000 . . . . . . A 29 PHE HZ . 34724 1 355 . 1 . 1 32 32 PHE CA C 13 59.639 0.002 . . . . . . A 29 PHE CA . 34724 1 356 . 1 . 1 32 32 PHE CB C 13 38.812 0.017 . . . . . . A 29 PHE CB . 34724 1 357 . 1 . 1 32 32 PHE CD1 C 13 131.851 0.002 . . . . . . A 29 PHE CD1 . 34724 1 358 . 1 . 1 32 32 PHE CE1 C 13 131.549 0.017 . . . . . . A 29 PHE CE1 . 34724 1 359 . 1 . 1 32 32 PHE CZ C 13 131.614 0.004 . . . . . . A 29 PHE CZ . 34724 1 360 . 1 . 1 32 32 PHE N N 15 112.057 0.000 . . . . . . A 29 PHE N . 34724 1 361 . 1 . 1 33 33 GLY H H 1 7.555 0.001 . . . . . . A 30 GLY H . 34724 1 362 . 1 . 1 33 33 GLY HA2 H 1 3.723 0.003 . . . . . . A 30 GLY HA2 . 34724 1 363 . 1 . 1 33 33 GLY HA3 H 1 4.973 0.000 . . . . . . A 30 GLY HA3 . 34724 1 364 . 1 . 1 33 33 GLY CA C 13 44.401 0.026 . . . . . . A 30 GLY CA . 34724 1 365 . 1 . 1 33 33 GLY N N 15 106.043 0.000 . . . . . . A 30 GLY N . 34724 1 366 . 1 . 1 34 34 ASP H H 1 7.969 0.002 . . . . . . A 31 ASP H . 34724 1 367 . 1 . 1 34 34 ASP HA H 1 4.445 0.004 . . . . . . A 31 ASP HA . 34724 1 368 . 1 . 1 34 34 ASP HB2 H 1 2.579 0.001 . . . . . . A 31 ASP HB2 . 34724 1 369 . 1 . 1 34 34 ASP HB3 H 1 2.579 0.001 . . . . . . A 31 ASP HB3 . 34724 1 370 . 1 . 1 34 34 ASP CA C 13 56.595 0.003 . . . . . . A 31 ASP CA . 34724 1 371 . 1 . 1 34 34 ASP CB C 13 41.118 0.013 . . . . . . A 31 ASP CB . 34724 1 372 . 1 . 1 34 34 ASP N N 15 114.298 0.000 . . . . . . A 31 ASP N . 34724 1 373 . 1 . 1 35 35 ILE H H 1 7.473 0.009 . . . . . . A 32 ILE H . 34724 1 374 . 1 . 1 35 35 ILE HA H 1 4.698 0.000 . . . . . . A 32 ILE HA . 34724 1 375 . 1 . 1 35 35 ILE HB H 1 1.355 0.003 . . . . . . A 32 ILE HB . 34724 1 376 . 1 . 1 35 35 ILE HG12 H 1 -0.275 0.002 . . . . . . A 32 ILE HG12 . 34724 1 377 . 1 . 1 35 35 ILE HG13 H 1 1.639 0.001 . . . . . . A 32 ILE HG13 . 34724 1 378 . 1 . 1 35 35 ILE HG21 H 1 0.596 0.000 . . . . . . A 32 ILE HG21 . 34724 1 379 . 1 . 1 35 35 ILE HG22 H 1 0.596 0.000 . . . . . . A 32 ILE HG22 . 34724 1 380 . 1 . 1 35 35 ILE HG23 H 1 0.596 0.000 . . . . . . A 32 ILE HG23 . 34724 1 381 . 1 . 1 35 35 ILE HD11 H 1 0.335 0.001 . . . . . . A 32 ILE HD11 . 34724 1 382 . 1 . 1 35 35 ILE HD12 H 1 0.335 0.001 . . . . . . A 32 ILE HD12 . 34724 1 383 . 1 . 1 35 35 ILE HD13 H 1 0.335 0.001 . . . . . . A 32 ILE HD13 . 34724 1 384 . 1 . 1 35 35 ILE CA C 13 58.102 0.000 . . . . . . A 32 ILE CA . 34724 1 385 . 1 . 1 35 35 ILE CB C 13 41.693 0.013 . . . . . . A 32 ILE CB . 34724 1 386 . 1 . 1 35 35 ILE CG1 C 13 27.690 0.104 . . . . . . A 32 ILE CG1 . 34724 1 387 . 1 . 1 35 35 ILE CG2 C 13 17.221 0.001 . . . . . . A 32 ILE CG2 . 34724 1 388 . 1 . 1 35 35 ILE CD1 C 13 14.457 0.003 . . . . . . A 32 ILE CD1 . 34724 1 389 . 1 . 1 35 35 ILE N N 15 124.548 0.000 . . . . . . A 32 ILE N . 34724 1 390 . 1 . 1 36 36 THR H H 1 8.970 0.003 . . . . . . A 33 THR H . 34724 1 391 . 1 . 1 36 36 THR HA H 1 4.210 0.001 . . . . . . A 33 THR HA . 34724 1 392 . 1 . 1 36 36 THR HB H 1 3.918 0.001 . . . . . . A 33 THR HB . 34724 1 393 . 1 . 1 36 36 THR HG21 H 1 1.017 0.002 . . . . . . A 33 THR HG21 . 34724 1 394 . 1 . 1 36 36 THR HG22 H 1 1.017 0.002 . . . . . . A 33 THR HG22 . 34724 1 395 . 1 . 1 36 36 THR HG23 H 1 1.017 0.002 . . . . . . A 33 THR HG23 . 34724 1 396 . 1 . 1 36 36 THR CA C 13 63.205 0.006 . . . . . . A 33 THR CA . 34724 1 397 . 1 . 1 36 36 THR CB C 13 68.691 0.042 . . . . . . A 33 THR CB . 34724 1 398 . 1 . 1 36 36 THR CG2 C 13 22.658 0.041 . . . . . . A 33 THR CG2 . 34724 1 399 . 1 . 1 36 36 THR N N 15 121.581 0.000 . . . . . . A 33 THR N . 34724 1 400 . 1 . 1 37 37 ASP H H 1 7.544 0.010 . . . . . . A 34 ASP H . 34724 1 401 . 1 . 1 37 37 ASP HA H 1 4.735 0.002 . . . . . . A 34 ASP HA . 34724 1 402 . 1 . 1 37 37 ASP HB2 H 1 2.701 0.002 . . . . . . A 34 ASP HB2 . 34724 1 403 . 1 . 1 37 37 ASP HB3 H 1 2.339 0.003 . . . . . . A 34 ASP HB3 . 34724 1 404 . 1 . 1 37 37 ASP CA C 13 54.981 0.010 . . . . . . A 34 ASP CA . 34724 1 405 . 1 . 1 37 37 ASP CB C 13 44.201 0.009 . . . . . . A 34 ASP CB . 34724 1 406 . 1 . 1 37 37 ASP N N 15 119.701 0.000 . . . . . . A 34 ASP N . 34724 1 407 . 1 . 1 38 38 ILE H H 1 7.919 0.009 . . . . . . A 35 ILE H . 34724 1 408 . 1 . 1 38 38 ILE HA H 1 4.233 0.009 . . . . . . A 35 ILE HA . 34724 1 409 . 1 . 1 38 38 ILE HB H 1 1.620 0.001 . . . . . . A 35 ILE HB . 34724 1 410 . 1 . 1 38 38 ILE HG12 H 1 1.625 0.007 . . . . . . A 35 ILE HG12 . 34724 1 411 . 1 . 1 38 38 ILE HG13 H 1 0.842 0.001 . . . . . . A 35 ILE HG13 . 34724 1 412 . 1 . 1 38 38 ILE HG21 H 1 0.655 0.000 . . . . . . A 35 ILE HG21 . 34724 1 413 . 1 . 1 38 38 ILE HG22 H 1 0.655 0.000 . . . . . . A 35 ILE HG22 . 34724 1 414 . 1 . 1 38 38 ILE HG23 H 1 0.655 0.000 . . . . . . A 35 ILE HG23 . 34724 1 415 . 1 . 1 38 38 ILE HD11 H 1 0.841 0.001 . . . . . . A 35 ILE HD11 . 34724 1 416 . 1 . 1 38 38 ILE HD12 H 1 0.841 0.001 . . . . . . A 35 ILE HD12 . 34724 1 417 . 1 . 1 38 38 ILE HD13 H 1 0.841 0.001 . . . . . . A 35 ILE HD13 . 34724 1 418 . 1 . 1 38 38 ILE CA C 13 61.297 0.044 . . . . . . A 35 ILE CA . 34724 1 419 . 1 . 1 38 38 ILE CB C 13 41.733 0.002 . . . . . . A 35 ILE CB . 34724 1 420 . 1 . 1 38 38 ILE CG1 C 13 28.702 0.044 . . . . . . A 35 ILE CG1 . 34724 1 421 . 1 . 1 38 38 ILE CG2 C 13 17.024 0.002 . . . . . . A 35 ILE CG2 . 34724 1 422 . 1 . 1 38 38 ILE CD1 C 13 13.661 0.014 . . . . . . A 35 ILE CD1 . 34724 1 423 . 1 . 1 38 38 ILE N N 15 122.749 0.000 . . . . . . A 35 ILE N . 34724 1 424 . 1 . 1 39 39 GLN H H 1 8.934 0.008 . . . . . . A 36 GLN H . 34724 1 425 . 1 . 1 39 39 GLN HA H 1 4.647 0.000 . . . . . . A 36 GLN HA . 34724 1 426 . 1 . 1 39 39 GLN HB2 H 1 2.101 0.019 . . . . . . A 36 GLN HB2 . 34724 1 427 . 1 . 1 39 39 GLN HB3 H 1 1.883 0.004 . . . . . . A 36 GLN HB3 . 34724 1 428 . 1 . 1 39 39 GLN HG2 H 1 2.189 0.038 . . . . . . A 36 GLN HG2 . 34724 1 429 . 1 . 1 39 39 GLN HG3 H 1 2.189 0.038 . . . . . . A 36 GLN HG3 . 34724 1 430 . 1 . 1 39 39 GLN HE21 H 1 7.976 0.003 . . . . . . A 36 GLN HE21 . 34724 1 431 . 1 . 1 39 39 GLN HE22 H 1 6.584 0.001 . . . . . . A 36 GLN HE22 . 34724 1 432 . 1 . 1 39 39 GLN CA C 13 54.207 0.002 . . . . . . A 36 GLN CA . 34724 1 433 . 1 . 1 39 39 GLN CB C 13 32.182 0.091 . . . . . . A 36 GLN CB . 34724 1 434 . 1 . 1 39 39 GLN CG C 13 33.164 0.062 . . . . . . A 36 GLN CG . 34724 1 435 . 1 . 1 39 39 GLN N N 15 125.705 0.000 . . . . . . A 36 GLN N . 34724 1 436 . 1 . 1 39 39 GLN NE2 N 15 112.557 0.004 . . . . . . A 36 GLN NE2 . 34724 1 437 . 1 . 1 40 40 ILE H H 1 8.742 0.002 . . . . . . A 37 ILE H . 34724 1 438 . 1 . 1 40 40 ILE HB H 1 1.714 0.002 . . . . . . A 37 ILE HB . 34724 1 439 . 1 . 1 40 40 ILE HG12 H 1 1.271 0.002 . . . . . . A 37 ILE HG12 . 34724 1 440 . 1 . 1 40 40 ILE HG13 H 1 0.487 0.000 . . . . . . A 37 ILE HG13 . 34724 1 441 . 1 . 1 40 40 ILE HG21 H 1 0.572 0.001 . . . . . . A 37 ILE HG21 . 34724 1 442 . 1 . 1 40 40 ILE HG22 H 1 0.572 0.001 . . . . . . A 37 ILE HG22 . 34724 1 443 . 1 . 1 40 40 ILE HG23 H 1 0.572 0.001 . . . . . . A 37 ILE HG23 . 34724 1 444 . 1 . 1 40 40 ILE HD11 H 1 0.483 0.000 . . . . . . A 37 ILE HD11 . 34724 1 445 . 1 . 1 40 40 ILE HD12 H 1 0.483 0.000 . . . . . . A 37 ILE HD12 . 34724 1 446 . 1 . 1 40 40 ILE HD13 H 1 0.483 0.000 . . . . . . A 37 ILE HD13 . 34724 1 447 . 1 . 1 40 40 ILE CB C 13 38.607 0.010 . . . . . . A 37 ILE CB . 34724 1 448 . 1 . 1 40 40 ILE CG1 C 13 26.641 0.020 . . . . . . A 37 ILE CG1 . 34724 1 449 . 1 . 1 40 40 ILE CG2 C 13 17.525 0.018 . . . . . . A 37 ILE CG2 . 34724 1 450 . 1 . 1 40 40 ILE CD1 C 13 13.200 0.001 . . . . . . A 37 ILE CD1 . 34724 1 451 . 1 . 1 40 40 ILE N N 15 124.275 0.000 . . . . . . A 37 ILE N . 34724 1 452 . 1 . 1 41 41 PRO HA H 1 4.367 0.000 . . . . . . A 38 PRO HA . 34724 1 453 . 1 . 1 41 41 PRO HG2 H 1 1.793 0.000 . . . . . . A 38 PRO HG2 . 34724 1 454 . 1 . 1 41 41 PRO HG3 H 1 1.793 0.000 . . . . . . A 38 PRO HG3 . 34724 1 455 . 1 . 1 41 41 PRO HD2 H 1 3.569 0.000 . . . . . . A 38 PRO HD2 . 34724 1 456 . 1 . 1 41 41 PRO HD3 H 1 3.187 0.000 . . . . . . A 38 PRO HD3 . 34724 1 457 . 1 . 1 41 41 PRO CA C 13 58.286 0.000 . . . . . . A 38 PRO CA . 34724 1 458 . 1 . 1 41 41 PRO CG C 13 27.973 0.000 . . . . . . A 38 PRO CG . 34724 1 459 . 1 . 1 41 41 PRO CD C 13 50.450 0.024 . . . . . . A 38 PRO CD . 34724 1 460 . 1 . 1 42 42 LEU H H 1 8.213 0.015 . . . . . . A 39 LEU H . 34724 1 461 . 1 . 1 42 42 LEU HA H 1 4.485 0.002 . . . . . . A 39 LEU HA . 34724 1 462 . 1 . 1 42 42 LEU HB2 H 1 1.526 0.001 . . . . . . A 39 LEU HB2 . 34724 1 463 . 1 . 1 42 42 LEU HB3 H 1 0.984 0.000 . . . . . . A 39 LEU HB3 . 34724 1 464 . 1 . 1 42 42 LEU HG H 1 1.645 0.000 . . . . . . A 39 LEU HG . 34724 1 465 . 1 . 1 42 42 LEU HD11 H 1 0.601 0.001 . . . . . . A 39 LEU HD11 . 34724 1 466 . 1 . 1 42 42 LEU HD12 H 1 0.601 0.001 . . . . . . A 39 LEU HD12 . 34724 1 467 . 1 . 1 42 42 LEU HD13 H 1 0.601 0.001 . . . . . . A 39 LEU HD13 . 34724 1 468 . 1 . 1 42 42 LEU HD21 H 1 0.751 0.001 . . . . . . A 39 LEU HD21 . 34724 1 469 . 1 . 1 42 42 LEU HD22 H 1 0.751 0.001 . . . . . . A 39 LEU HD22 . 34724 1 470 . 1 . 1 42 42 LEU HD23 H 1 0.751 0.001 . . . . . . A 39 LEU HD23 . 34724 1 471 . 1 . 1 42 42 LEU CA C 13 53.198 0.114 . . . . . . A 39 LEU CA . 34724 1 472 . 1 . 1 42 42 LEU CB C 13 44.538 0.006 . . . . . . A 39 LEU CB . 34724 1 473 . 1 . 1 42 42 LEU CG C 13 26.670 0.064 . . . . . . A 39 LEU CG . 34724 1 474 . 1 . 1 42 42 LEU CD1 C 13 22.799 0.005 . . . . . . A 39 LEU CD1 . 34724 1 475 . 1 . 1 42 42 LEU CD2 C 13 25.185 0.022 . . . . . . A 39 LEU CD2 . 34724 1 476 . 1 . 1 42 42 LEU N N 15 121.545 0.000 . . . . . . A 39 LEU N . 34724 1 477 . 1 . 1 43 43 ASP H H 1 8.548 0.008 . . . . . . A 40 ASP H . 34724 1 478 . 1 . 1 43 43 ASP HA H 1 4.684 0.000 . . . . . . A 40 ASP HA . 34724 1 479 . 1 . 1 43 43 ASP HB2 H 1 2.422 0.002 . . . . . . A 40 ASP HB2 . 34724 1 480 . 1 . 1 43 43 ASP HB3 H 1 3.213 0.003 . . . . . . A 40 ASP HB3 . 34724 1 481 . 1 . 1 43 43 ASP CA C 13 54.126 0.000 . . . . . . A 40 ASP CA . 34724 1 482 . 1 . 1 43 43 ASP CB C 13 42.938 0.031 . . . . . . A 40 ASP CB . 34724 1 483 . 1 . 1 43 43 ASP N N 15 122.523 0.000 . . . . . . A 40 ASP N . 34724 1 484 . 1 . 1 44 44 TYR HD1 H 1 6.757 0.001 . . . . . . A 41 TYR HD1 . 34724 1 485 . 1 . 1 44 44 TYR HD2 H 1 6.757 0.001 . . . . . . A 41 TYR HD2 . 34724 1 486 . 1 . 1 44 44 TYR HE1 H 1 6.584 0.000 . . . . . . A 41 TYR HE1 . 34724 1 487 . 1 . 1 44 44 TYR HE2 H 1 6.584 0.000 . . . . . . A 41 TYR HE2 . 34724 1 488 . 1 . 1 44 44 TYR CD1 C 13 130.241 0.032 . . . . . . A 41 TYR CD1 . 34724 1 489 . 1 . 1 44 44 TYR CE1 C 13 118.399 0.000 . . . . . . A 41 TYR CE1 . 34724 1 490 . 1 . 1 45 45 GLU H H 1 8.383 0.010 . . . . . . A 42 GLU H . 34724 1 491 . 1 . 1 45 45 GLU HA H 1 4.102 0.001 . . . . . . A 42 GLU HA . 34724 1 492 . 1 . 1 45 45 GLU HB2 H 1 2.113 0.001 . . . . . . A 42 GLU HB2 . 34724 1 493 . 1 . 1 45 45 GLU HB3 H 1 2.021 0.000 . . . . . . A 42 GLU HB3 . 34724 1 494 . 1 . 1 45 45 GLU HG2 H 1 2.182 0.003 . . . . . . A 42 GLU HG2 . 34724 1 495 . 1 . 1 45 45 GLU HG3 H 1 2.069 0.000 . . . . . . A 42 GLU HG3 . 34724 1 496 . 1 . 1 45 45 GLU CA C 13 60.842 0.013 . . . . . . A 42 GLU CA . 34724 1 497 . 1 . 1 45 45 GLU CB C 13 30.199 0.016 . . . . . . A 42 GLU CB . 34724 1 498 . 1 . 1 45 45 GLU CG C 13 36.770 0.021 . . . . . . A 42 GLU CG . 34724 1 499 . 1 . 1 45 45 GLU N N 15 116.246 0.000 . . . . . . A 42 GLU N . 34724 1 500 . 1 . 1 46 46 THR H H 1 7.896 0.005 . . . . . . A 43 THR H . 34724 1 501 . 1 . 1 46 46 THR HA H 1 4.202 0.001 . . . . . . A 43 THR HA . 34724 1 502 . 1 . 1 46 46 THR HB H 1 4.203 0.002 . . . . . . A 43 THR HB . 34724 1 503 . 1 . 1 46 46 THR HG21 H 1 1.173 0.001 . . . . . . A 43 THR HG21 . 34724 1 504 . 1 . 1 46 46 THR HG22 H 1 1.173 0.001 . . . . . . A 43 THR HG22 . 34724 1 505 . 1 . 1 46 46 THR HG23 H 1 1.173 0.001 . . . . . . A 43 THR HG23 . 34724 1 506 . 1 . 1 46 46 THR CA C 13 62.046 0.031 . . . . . . A 43 THR CA . 34724 1 507 . 1 . 1 46 46 THR CB C 13 70.634 0.033 . . . . . . A 43 THR CB . 34724 1 508 . 1 . 1 46 46 THR CG2 C 13 21.568 0.001 . . . . . . A 43 THR CG2 . 34724 1 509 . 1 . 1 46 46 THR N N 15 107.056 0.000 . . . . . . A 43 THR N . 34724 1 510 . 1 . 1 47 47 GLU H H 1 8.202 0.001 . . . . . . A 44 GLU H . 34724 1 511 . 1 . 1 47 47 GLU HA H 1 3.726 0.000 . . . . . . A 44 GLU HA . 34724 1 512 . 1 . 1 47 47 GLU HB2 H 1 2.193 0.001 . . . . . . A 44 GLU HB2 . 34724 1 513 . 1 . 1 47 47 GLU HB3 H 1 2.193 0.001 . . . . . . A 44 GLU HB3 . 34724 1 514 . 1 . 1 47 47 GLU HG2 H 1 2.025 0.000 . . . . . . A 44 GLU HG2 . 34724 1 515 . 1 . 1 47 47 GLU HG3 H 1 1.986 0.004 . . . . . . A 44 GLU HG3 . 34724 1 516 . 1 . 1 47 47 GLU CA C 13 58.122 0.005 . . . . . . A 44 GLU CA . 34724 1 517 . 1 . 1 47 47 GLU CB C 13 27.004 0.021 . . . . . . A 44 GLU CB . 34724 1 518 . 1 . 1 47 47 GLU CG C 13 37.254 0.015 . . . . . . A 44 GLU CG . 34724 1 519 . 1 . 1 47 47 GLU N N 15 115.954 0.000 . . . . . . A 44 GLU N . 34724 1 520 . 1 . 1 48 48 LYS H H 1 7.642 0.005 . . . . . . A 45 LYS H . 34724 1 521 . 1 . 1 48 48 LYS HA H 1 4.622 0.003 . . . . . . A 45 LYS HA . 34724 1 522 . 1 . 1 48 48 LYS HB2 H 1 1.793 0.001 . . . . . . A 45 LYS HB2 . 34724 1 523 . 1 . 1 48 48 LYS HB3 H 1 1.533 0.002 . . . . . . A 45 LYS HB3 . 34724 1 524 . 1 . 1 48 48 LYS HG2 H 1 1.371 0.000 . . . . . . A 45 LYS HG2 . 34724 1 525 . 1 . 1 48 48 LYS HG3 H 1 1.305 0.001 . . . . . . A 45 LYS HG3 . 34724 1 526 . 1 . 1 48 48 LYS HD2 H 1 1.584 0.002 . . . . . . A 45 LYS HD2 . 34724 1 527 . 1 . 1 48 48 LYS HD3 H 1 1.529 0.004 . . . . . . A 45 LYS HD3 . 34724 1 528 . 1 . 1 48 48 LYS HE2 H 1 2.913 0.002 . . . . . . A 45 LYS HE2 . 34724 1 529 . 1 . 1 48 48 LYS HE3 H 1 2.913 0.002 . . . . . . A 45 LYS HE3 . 34724 1 530 . 1 . 1 48 48 LYS CA C 13 54.422 0.053 . . . . . . A 45 LYS CA . 34724 1 531 . 1 . 1 48 48 LYS CB C 13 35.620 0.013 . . . . . . A 45 LYS CB . 34724 1 532 . 1 . 1 48 48 LYS CG C 13 24.823 0.023 . . . . . . A 45 LYS CG . 34724 1 533 . 1 . 1 48 48 LYS CD C 13 29.135 0.013 . . . . . . A 45 LYS CD . 34724 1 534 . 1 . 1 48 48 LYS CE C 13 42.270 0.013 . . . . . . A 45 LYS CE . 34724 1 535 . 1 . 1 48 48 LYS N N 15 117.354 0.000 . . . . . . A 45 LYS N . 34724 1 536 . 1 . 1 49 49 HIS H H 1 8.188 0.009 . . . . . . A 46 HIS H . 34724 1 537 . 1 . 1 49 49 HIS HA H 1 4.934 0.001 . . . . . . A 46 HIS HA . 34724 1 538 . 1 . 1 49 49 HIS HB2 H 1 3.451 0.006 . . . . . . A 46 HIS HB2 . 34724 1 539 . 1 . 1 49 49 HIS HB3 H 1 2.758 0.002 . . . . . . A 46 HIS HB3 . 34724 1 540 . 1 . 1 49 49 HIS HD2 H 1 7.076 0.000 . . . . . . A 46 HIS HD2 . 34724 1 541 . 1 . 1 49 49 HIS HE1 H 1 7.288 0.000 . . . . . . A 46 HIS HE1 . 34724 1 542 . 1 . 1 49 49 HIS CA C 13 55.982 0.071 . . . . . . A 46 HIS CA . 34724 1 543 . 1 . 1 49 49 HIS CB C 13 31.070 0.059 . . . . . . A 46 HIS CB . 34724 1 544 . 1 . 1 49 49 HIS CD2 C 13 118.926 0.000 . . . . . . A 46 HIS CD2 . 34724 1 545 . 1 . 1 49 49 HIS CE1 C 13 139.058 0.000 . . . . . . A 46 HIS CE1 . 34724 1 546 . 1 . 1 49 49 HIS N N 15 118.114 0.000 . . . . . . A 46 HIS N . 34724 1 547 . 1 . 1 50 50 ARG H H 1 8.868 0.008 . . . . . . A 47 ARG H . 34724 1 548 . 1 . 1 50 50 ARG HA H 1 4.467 0.000 . . . . . . A 47 ARG HA . 34724 1 549 . 1 . 1 50 50 ARG HB2 H 1 2.460 0.001 . . . . . . A 47 ARG HB2 . 34724 1 550 . 1 . 1 50 50 ARG HB3 H 1 1.589 0.001 . . . . . . A 47 ARG HB3 . 34724 1 551 . 1 . 1 50 50 ARG HG2 H 1 1.613 0.003 . . . . . . A 47 ARG HG2 . 34724 1 552 . 1 . 1 50 50 ARG HG3 H 1 1.536 0.017 . . . . . . A 47 ARG HG3 . 34724 1 553 . 1 . 1 50 50 ARG HD2 H 1 3.125 0.000 . . . . . . A 47 ARG HD2 . 34724 1 554 . 1 . 1 50 50 ARG HD3 H 1 3.125 0.000 . . . . . . A 47 ARG HD3 . 34724 1 555 . 1 . 1 50 50 ARG CA C 13 53.295 0.000 . . . . . . A 47 ARG CA . 34724 1 556 . 1 . 1 50 50 ARG CB C 13 31.217 0.034 . . . . . . A 47 ARG CB . 34724 1 557 . 1 . 1 50 50 ARG CG C 13 27.818 0.137 . . . . . . A 47 ARG CG . 34724 1 558 . 1 . 1 50 50 ARG CD C 13 44.120 0.000 . . . . . . A 47 ARG CD . 34724 1 559 . 1 . 1 50 50 ARG N N 15 119.382 0.000 . . . . . . A 47 ARG N . 34724 1 560 . 1 . 1 51 51 GLY H H 1 10.693 0.002 . . . . . . A 48 GLY H . 34724 1 561 . 1 . 1 51 51 GLY HA2 H 1 4.486 0.002 . . . . . . A 48 GLY HA2 . 34724 1 562 . 1 . 1 51 51 GLY HA3 H 1 3.889 0.013 . . . . . . A 48 GLY HA3 . 34724 1 563 . 1 . 1 51 51 GLY CA C 13 45.666 0.026 . . . . . . A 48 GLY CA . 34724 1 564 . 1 . 1 51 51 GLY N N 15 112.743 0.000 . . . . . . A 48 GLY N . 34724 1 565 . 1 . 1 52 52 PHE H H 1 6.999 0.007 . . . . . . A 49 PHE H . 34724 1 566 . 1 . 1 52 52 PHE HA H 1 5.532 0.001 . . . . . . A 49 PHE HA . 34724 1 567 . 1 . 1 52 52 PHE HB2 H 1 2.903 0.006 . . . . . . A 49 PHE HB2 . 34724 1 568 . 1 . 1 52 52 PHE HB3 H 1 2.504 0.001 . . . . . . A 49 PHE HB3 . 34724 1 569 . 1 . 1 52 52 PHE HD1 H 1 6.594 0.000 . . . . . . A 49 PHE HD1 . 34724 1 570 . 1 . 1 52 52 PHE HD2 H 1 6.594 0.000 . . . . . . A 49 PHE HD2 . 34724 1 571 . 1 . 1 52 52 PHE HE1 H 1 7.162 0.000 . . . . . . A 49 PHE HE1 . 34724 1 572 . 1 . 1 52 52 PHE HE2 H 1 7.162 0.000 . . . . . . A 49 PHE HE2 . 34724 1 573 . 1 . 1 52 52 PHE HZ H 1 7.366 0.000 . . . . . . A 49 PHE HZ . 34724 1 574 . 1 . 1 52 52 PHE CA C 13 54.745 0.022 . . . . . . A 49 PHE CA . 34724 1 575 . 1 . 1 52 52 PHE CB C 13 42.060 0.049 . . . . . . A 49 PHE CB . 34724 1 576 . 1 . 1 52 52 PHE CD1 C 13 132.641 0.000 . . . . . . A 49 PHE CD1 . 34724 1 577 . 1 . 1 52 52 PHE CE1 C 13 131.289 0.000 . . . . . . A 49 PHE CE1 . 34724 1 578 . 1 . 1 52 52 PHE CZ C 13 129.139 0.000 . . . . . . A 49 PHE CZ . 34724 1 579 . 1 . 1 52 52 PHE N N 15 114.721 0.000 . . . . . . A 49 PHE N . 34724 1 580 . 1 . 1 53 53 ALA H H 1 8.612 0.003 . . . . . . A 50 ALA H . 34724 1 581 . 1 . 1 53 53 ALA HA H 1 4.344 0.001 . . . . . . A 50 ALA HA . 34724 1 582 . 1 . 1 53 53 ALA HB1 H 1 0.816 0.000 . . . . . . A 50 ALA HB1 . 34724 1 583 . 1 . 1 53 53 ALA HB2 H 1 0.816 0.000 . . . . . . A 50 ALA HB2 . 34724 1 584 . 1 . 1 53 53 ALA HB3 H 1 0.816 0.000 . . . . . . A 50 ALA HB3 . 34724 1 585 . 1 . 1 53 53 ALA CA C 13 49.876 0.012 . . . . . . A 50 ALA CA . 34724 1 586 . 1 . 1 53 53 ALA CB C 13 26.010 0.031 . . . . . . A 50 ALA CB . 34724 1 587 . 1 . 1 53 53 ALA N N 15 119.672 0.000 . . . . . . A 50 ALA N . 34724 1 588 . 1 . 1 54 54 PHE H H 1 8.618 0.006 . . . . . . A 51 PHE H . 34724 1 589 . 1 . 1 54 54 PHE HA H 1 5.837 0.002 . . . . . . A 51 PHE HA . 34724 1 590 . 1 . 1 54 54 PHE HB2 H 1 2.737 0.000 . . . . . . A 51 PHE HB2 . 34724 1 591 . 1 . 1 54 54 PHE HB3 H 1 2.551 0.003 . . . . . . A 51 PHE HB3 . 34724 1 592 . 1 . 1 54 54 PHE HD1 H 1 7.021 0.000 . . . . . . A 51 PHE HD1 . 34724 1 593 . 1 . 1 54 54 PHE HD2 H 1 7.021 0.000 . . . . . . A 51 PHE HD2 . 34724 1 594 . 1 . 1 54 54 PHE HE1 H 1 7.307 0.000 . . . . . . A 51 PHE HE1 . 34724 1 595 . 1 . 1 54 54 PHE HE2 H 1 7.307 0.000 . . . . . . A 51 PHE HE2 . 34724 1 596 . 1 . 1 54 54 PHE CA C 13 55.689 0.010 . . . . . . A 51 PHE CA . 34724 1 597 . 1 . 1 54 54 PHE CB C 13 42.031 0.043 . . . . . . A 51 PHE CB . 34724 1 598 . 1 . 1 54 54 PHE CD1 C 13 131.873 0.000 . . . . . . A 51 PHE CD1 . 34724 1 599 . 1 . 1 54 54 PHE CE1 C 13 130.924 0.000 . . . . . . A 51 PHE CE1 . 34724 1 600 . 1 . 1 54 54 PHE N N 15 114.262 0.000 . . . . . . A 51 PHE N . 34724 1 601 . 1 . 1 55 55 VAL H H 1 8.620 0.002 . . . . . . A 52 VAL H . 34724 1 602 . 1 . 1 55 55 VAL HA H 1 4.236 0.005 . . . . . . A 52 VAL HA . 34724 1 603 . 1 . 1 55 55 VAL HB H 1 1.345 0.000 . . . . . . A 52 VAL HB . 34724 1 604 . 1 . 1 55 55 VAL HG11 H 1 0.199 0.001 . . . . . . A 52 VAL HG11 . 34724 1 605 . 1 . 1 55 55 VAL HG12 H 1 0.199 0.001 . . . . . . A 52 VAL HG12 . 34724 1 606 . 1 . 1 55 55 VAL HG13 H 1 0.199 0.001 . . . . . . A 52 VAL HG13 . 34724 1 607 . 1 . 1 55 55 VAL HG21 H 1 0.216 0.000 . . . . . . A 52 VAL HG21 . 34724 1 608 . 1 . 1 55 55 VAL HG22 H 1 0.216 0.000 . . . . . . A 52 VAL HG22 . 34724 1 609 . 1 . 1 55 55 VAL HG23 H 1 0.216 0.000 . . . . . . A 52 VAL HG23 . 34724 1 610 . 1 . 1 55 55 VAL CA C 13 61.205 0.037 . . . . . . A 52 VAL CA . 34724 1 611 . 1 . 1 55 55 VAL CB C 13 34.961 0.002 . . . . . . A 52 VAL CB . 34724 1 612 . 1 . 1 55 55 VAL CG1 C 13 21.172 0.008 . . . . . . A 52 VAL CG1 . 34724 1 613 . 1 . 1 55 55 VAL CG2 C 13 20.278 0.002 . . . . . . A 52 VAL CG2 . 34724 1 614 . 1 . 1 55 55 VAL N N 15 122.358 0.000 . . . . . . A 52 VAL N . 34724 1 615 . 1 . 1 56 56 GLU H H 1 8.951 0.007 . . . . . . A 53 GLU H . 34724 1 616 . 1 . 1 56 56 GLU HA H 1 5.107 0.001 . . . . . . A 53 GLU HA . 34724 1 617 . 1 . 1 56 56 GLU HB2 H 1 2.069 0.002 . . . . . . A 53 GLU HB2 . 34724 1 618 . 1 . 1 56 56 GLU HB3 H 1 1.666 0.001 . . . . . . A 53 GLU HB3 . 34724 1 619 . 1 . 1 56 56 GLU HG2 H 1 2.029 0.000 . . . . . . A 53 GLU HG2 . 34724 1 620 . 1 . 1 56 56 GLU HG3 H 1 1.885 0.000 . . . . . . A 53 GLU HG3 . 34724 1 621 . 1 . 1 56 56 GLU CA C 13 54.313 0.017 . . . . . . A 53 GLU CA . 34724 1 622 . 1 . 1 56 56 GLU CB C 13 33.261 0.025 . . . . . . A 53 GLU CB . 34724 1 623 . 1 . 1 56 56 GLU CG C 13 36.895 0.116 . . . . . . A 53 GLU CG . 34724 1 624 . 1 . 1 56 56 GLU N N 15 129.229 0.000 . . . . . . A 53 GLU N . 34724 1 625 . 1 . 1 57 57 PHE H H 1 8.619 0.002 . . . . . . A 54 PHE H . 34724 1 626 . 1 . 1 57 57 PHE HA H 1 4.812 0.004 . . . . . . A 54 PHE HA . 34724 1 627 . 1 . 1 57 57 PHE HB2 H 1 3.705 0.002 . . . . . . A 54 PHE HB2 . 34724 1 628 . 1 . 1 57 57 PHE HB3 H 1 2.627 0.001 . . . . . . A 54 PHE HB3 . 34724 1 629 . 1 . 1 57 57 PHE HD1 H 1 7.112 0.000 . . . . . . A 54 PHE HD1 . 34724 1 630 . 1 . 1 57 57 PHE HD2 H 1 7.112 0.000 . . . . . . A 54 PHE HD2 . 34724 1 631 . 1 . 1 57 57 PHE HE1 H 1 7.547 0.000 . . . . . . A 54 PHE HE1 . 34724 1 632 . 1 . 1 57 57 PHE HE2 H 1 7.547 0.000 . . . . . . A 54 PHE HE2 . 34724 1 633 . 1 . 1 57 57 PHE CA C 13 58.093 0.104 . . . . . . A 54 PHE CA . 34724 1 634 . 1 . 1 57 57 PHE CB C 13 41.518 0.063 . . . . . . A 54 PHE CB . 34724 1 635 . 1 . 1 57 57 PHE CD1 C 13 129.545 0.000 . . . . . . A 54 PHE CD1 . 34724 1 636 . 1 . 1 57 57 PHE CE1 C 13 129.116 0.000 . . . . . . A 54 PHE CE1 . 34724 1 637 . 1 . 1 57 57 PHE N N 15 126.447 0.000 . . . . . . A 54 PHE N . 34724 1 638 . 1 . 1 58 58 GLU H H 1 8.099 0.003 . . . . . . A 55 GLU H . 34724 1 639 . 1 . 1 58 58 GLU HA H 1 3.924 0.003 . . . . . . A 55 GLU HA . 34724 1 640 . 1 . 1 58 58 GLU HB2 H 1 2.261 0.002 . . . . . . A 55 GLU HB2 . 34724 1 641 . 1 . 1 58 58 GLU HB3 H 1 1.985 0.000 . . . . . . A 55 GLU HB3 . 34724 1 642 . 1 . 1 58 58 GLU HG2 H 1 2.182 0.006 . . . . . . A 55 GLU HG2 . 34724 1 643 . 1 . 1 58 58 GLU HG3 H 1 2.182 0.006 . . . . . . A 55 GLU HG3 . 34724 1 644 . 1 . 1 58 58 GLU CA C 13 59.851 0.035 . . . . . . A 55 GLU CA . 34724 1 645 . 1 . 1 58 58 GLU CB C 13 30.001 0.018 . . . . . . A 55 GLU CB . 34724 1 646 . 1 . 1 58 58 GLU CG C 13 36.231 0.053 . . . . . . A 55 GLU CG . 34724 1 647 . 1 . 1 58 58 GLU N N 15 121.318 0.000 . . . . . . A 55 GLU N . 34724 1 648 . 1 . 1 59 59 LEU H H 1 9.328 0.003 . . . . . . A 56 LEU H . 34724 1 649 . 1 . 1 59 59 LEU HA H 1 4.825 0.001 . . . . . . A 56 LEU HA . 34724 1 650 . 1 . 1 59 59 LEU HB2 H 1 1.834 0.002 . . . . . . A 56 LEU HB2 . 34724 1 651 . 1 . 1 59 59 LEU HB3 H 1 1.598 0.003 . . . . . . A 56 LEU HB3 . 34724 1 652 . 1 . 1 59 59 LEU HG H 1 1.701 0.000 . . . . . . A 56 LEU HG . 34724 1 653 . 1 . 1 59 59 LEU HD11 H 1 0.946 0.000 . . . . . . A 56 LEU HD11 . 34724 1 654 . 1 . 1 59 59 LEU HD12 H 1 0.946 0.000 . . . . . . A 56 LEU HD12 . 34724 1 655 . 1 . 1 59 59 LEU HD13 H 1 0.946 0.000 . . . . . . A 56 LEU HD13 . 34724 1 656 . 1 . 1 59 59 LEU HD21 H 1 1.023 0.001 . . . . . . A 56 LEU HD21 . 34724 1 657 . 1 . 1 59 59 LEU HD22 H 1 1.023 0.001 . . . . . . A 56 LEU HD22 . 34724 1 658 . 1 . 1 59 59 LEU HD23 H 1 1.023 0.001 . . . . . . A 56 LEU HD23 . 34724 1 659 . 1 . 1 59 59 LEU CA C 13 52.894 0.073 . . . . . . A 56 LEU CA . 34724 1 660 . 1 . 1 59 59 LEU CB C 13 43.232 0.068 . . . . . . A 56 LEU CB . 34724 1 661 . 1 . 1 59 59 LEU CG C 13 26.947 0.048 . . . . . . A 56 LEU CG . 34724 1 662 . 1 . 1 59 59 LEU CD1 C 13 23.201 0.005 . . . . . . A 56 LEU CD1 . 34724 1 663 . 1 . 1 59 59 LEU CD2 C 13 25.273 0.002 . . . . . . A 56 LEU CD2 . 34724 1 664 . 1 . 1 59 59 LEU N N 15 116.298 0.000 . . . . . . A 56 LEU N . 34724 1 665 . 1 . 1 60 60 ALA H H 1 9.006 0.002 . . . . . . A 57 ALA H . 34724 1 666 . 1 . 1 60 60 ALA HA H 1 3.920 0.001 . . . . . . A 57 ALA HA . 34724 1 667 . 1 . 1 60 60 ALA HB1 H 1 1.380 0.000 . . . . . . A 57 ALA HB1 . 34724 1 668 . 1 . 1 60 60 ALA HB2 H 1 1.380 0.000 . . . . . . A 57 ALA HB2 . 34724 1 669 . 1 . 1 60 60 ALA HB3 H 1 1.380 0.000 . . . . . . A 57 ALA HB3 . 34724 1 670 . 1 . 1 60 60 ALA CA C 13 55.237 0.049 . . . . . . A 57 ALA CA . 34724 1 671 . 1 . 1 60 60 ALA CB C 13 18.635 0.006 . . . . . . A 57 ALA CB . 34724 1 672 . 1 . 1 60 60 ALA N N 15 127.155 0.000 . . . . . . A 57 ALA N . 34724 1 673 . 1 . 1 61 61 GLU H H 1 9.950 0.002 . . . . . . A 58 GLU H . 34724 1 674 . 1 . 1 61 61 GLU HA H 1 4.050 0.000 . . . . . . A 58 GLU HA . 34724 1 675 . 1 . 1 61 61 GLU HB2 H 1 2.001 0.002 . . . . . . A 58 GLU HB2 . 34724 1 676 . 1 . 1 61 61 GLU HB3 H 1 2.001 0.002 . . . . . . A 58 GLU HB3 . 34724 1 677 . 1 . 1 61 61 GLU HG2 H 1 2.422 0.000 . . . . . . A 58 GLU HG2 . 34724 1 678 . 1 . 1 61 61 GLU HG3 H 1 2.316 0.001 . . . . . . A 58 GLU HG3 . 34724 1 679 . 1 . 1 61 61 GLU CA C 13 59.809 0.005 . . . . . . A 58 GLU CA . 34724 1 680 . 1 . 1 61 61 GLU CB C 13 28.598 0.017 . . . . . . A 58 GLU CB . 34724 1 681 . 1 . 1 61 61 GLU CG C 13 36.695 0.014 . . . . . . A 58 GLU CG . 34724 1 682 . 1 . 1 61 61 GLU N N 15 118.589 0.000 . . . . . . A 58 GLU N . 34724 1 683 . 1 . 1 62 62 ASP H H 1 6.773 0.003 . . . . . . A 59 ASP H . 34724 1 684 . 1 . 1 62 62 ASP HA H 1 4.420 0.001 . . . . . . A 59 ASP HA . 34724 1 685 . 1 . 1 62 62 ASP HB2 H 1 2.892 0.001 . . . . . . A 59 ASP HB2 . 34724 1 686 . 1 . 1 62 62 ASP HB3 H 1 2.571 0.003 . . . . . . A 59 ASP HB3 . 34724 1 687 . 1 . 1 62 62 ASP CA C 13 56.599 0.009 . . . . . . A 59 ASP CA . 34724 1 688 . 1 . 1 62 62 ASP CB C 13 39.923 0.023 . . . . . . A 59 ASP CB . 34724 1 689 . 1 . 1 62 62 ASP N N 15 124.063 0.000 . . . . . . A 59 ASP N . 34724 1 690 . 1 . 1 63 63 ALA H H 1 6.957 0.003 . . . . . . A 60 ALA H . 34724 1 691 . 1 . 1 63 63 ALA HA H 1 3.114 0.001 . . . . . . A 60 ALA HA . 34724 1 692 . 1 . 1 63 63 ALA HB1 H 1 1.350 0.001 . . . . . . A 60 ALA HB1 . 34724 1 693 . 1 . 1 63 63 ALA HB2 H 1 1.350 0.001 . . . . . . A 60 ALA HB2 . 34724 1 694 . 1 . 1 63 63 ALA HB3 H 1 1.350 0.001 . . . . . . A 60 ALA HB3 . 34724 1 695 . 1 . 1 63 63 ALA CA C 13 54.569 0.007 . . . . . . A 60 ALA CA . 34724 1 696 . 1 . 1 63 63 ALA CB C 13 17.377 0.006 . . . . . . A 60 ALA CB . 34724 1 697 . 1 . 1 63 63 ALA N N 15 121.690 0.000 . . . . . . A 60 ALA N . 34724 1 698 . 1 . 1 64 64 ALA H H 1 7.758 0.004 . . . . . . A 61 ALA H . 34724 1 699 . 1 . 1 64 64 ALA HA H 1 3.859 0.001 . . . . . . A 61 ALA HA . 34724 1 700 . 1 . 1 64 64 ALA HB1 H 1 1.409 0.000 . . . . . . A 61 ALA HB1 . 34724 1 701 . 1 . 1 64 64 ALA HB2 H 1 1.409 0.000 . . . . . . A 61 ALA HB2 . 34724 1 702 . 1 . 1 64 64 ALA HB3 H 1 1.409 0.000 . . . . . . A 61 ALA HB3 . 34724 1 703 . 1 . 1 64 64 ALA CA C 13 55.035 0.000 . . . . . . A 61 ALA CA . 34724 1 704 . 1 . 1 64 64 ALA CB C 13 17.844 0.002 . . . . . . A 61 ALA CB . 34724 1 705 . 1 . 1 64 64 ALA N N 15 117.654 0.000 . . . . . . A 61 ALA N . 34724 1 706 . 1 . 1 65 65 ALA H H 1 7.293 0.002 . . . . . . A 62 ALA H . 34724 1 707 . 1 . 1 65 65 ALA HA H 1 4.088 0.001 . . . . . . A 62 ALA HA . 34724 1 708 . 1 . 1 65 65 ALA HB1 H 1 1.621 0.000 . . . . . . A 62 ALA HB1 . 34724 1 709 . 1 . 1 65 65 ALA HB2 H 1 1.621 0.000 . . . . . . A 62 ALA HB2 . 34724 1 710 . 1 . 1 65 65 ALA HB3 H 1 1.621 0.000 . . . . . . A 62 ALA HB3 . 34724 1 711 . 1 . 1 65 65 ALA CA C 13 54.782 0.015 . . . . . . A 62 ALA CA . 34724 1 712 . 1 . 1 65 65 ALA CB C 13 18.164 0.005 . . . . . . A 62 ALA CB . 34724 1 713 . 1 . 1 65 65 ALA N N 15 121.319 0.000 . . . . . . A 62 ALA N . 34724 1 714 . 1 . 1 66 66 ALA H H 1 7.832 0.001 . . . . . . A 63 ALA H . 34724 1 715 . 1 . 1 66 66 ALA HA H 1 2.379 0.001 . . . . . . A 63 ALA HA . 34724 1 716 . 1 . 1 66 66 ALA HB1 H 1 1.149 0.000 . . . . . . A 63 ALA HB1 . 34724 1 717 . 1 . 1 66 66 ALA HB2 H 1 1.149 0.000 . . . . . . A 63 ALA HB2 . 34724 1 718 . 1 . 1 66 66 ALA HB3 H 1 1.149 0.000 . . . . . . A 63 ALA HB3 . 34724 1 719 . 1 . 1 66 66 ALA CA C 13 54.698 0.013 . . . . . . A 63 ALA CA . 34724 1 720 . 1 . 1 66 66 ALA CB C 13 19.050 0.003 . . . . . . A 63 ALA CB . 34724 1 721 . 1 . 1 66 66 ALA N N 15 122.111 0.000 . . . . . . A 63 ALA N . 34724 1 722 . 1 . 1 67 67 ILE H H 1 7.829 0.002 . . . . . . A 64 ILE H . 34724 1 723 . 1 . 1 67 67 ILE HA H 1 3.206 0.001 . . . . . . A 64 ILE HA . 34724 1 724 . 1 . 1 67 67 ILE HB H 1 1.823 0.002 . . . . . . A 64 ILE HB . 34724 1 725 . 1 . 1 67 67 ILE HG12 H 1 1.845 0.001 . . . . . . A 64 ILE HG12 . 34724 1 726 . 1 . 1 67 67 ILE HG13 H 1 0.510 0.003 . . . . . . A 64 ILE HG13 . 34724 1 727 . 1 . 1 67 67 ILE HG21 H 1 0.915 0.000 . . . . . . A 64 ILE HG21 . 34724 1 728 . 1 . 1 67 67 ILE HG22 H 1 0.915 0.000 . . . . . . A 64 ILE HG22 . 34724 1 729 . 1 . 1 67 67 ILE HG23 H 1 0.915 0.000 . . . . . . A 64 ILE HG23 . 34724 1 730 . 1 . 1 67 67 ILE HD11 H 1 0.781 0.000 . . . . . . A 64 ILE HD11 . 34724 1 731 . 1 . 1 67 67 ILE HD12 H 1 0.781 0.000 . . . . . . A 64 ILE HD12 . 34724 1 732 . 1 . 1 67 67 ILE HD13 H 1 0.781 0.000 . . . . . . A 64 ILE HD13 . 34724 1 733 . 1 . 1 67 67 ILE CA C 13 66.642 0.003 . . . . . . A 64 ILE CA . 34724 1 734 . 1 . 1 67 67 ILE CB C 13 38.492 0.014 . . . . . . A 64 ILE CB . 34724 1 735 . 1 . 1 67 67 ILE CG1 C 13 30.350 0.039 . . . . . . A 64 ILE CG1 . 34724 1 736 . 1 . 1 67 67 ILE CG2 C 13 17.389 0.001 . . . . . . A 64 ILE CG2 . 34724 1 737 . 1 . 1 67 67 ILE CD1 C 13 14.097 0.004 . . . . . . A 64 ILE CD1 . 34724 1 738 . 1 . 1 67 67 ILE N N 15 118.707 0.000 . . . . . . A 64 ILE N . 34724 1 739 . 1 . 1 68 68 ASP H H 1 7.407 0.001 . . . . . . A 65 ASP H . 34724 1 740 . 1 . 1 68 68 ASP HA H 1 4.269 0.000 . . . . . . A 65 ASP HA . 34724 1 741 . 1 . 1 68 68 ASP HB2 H 1 2.600 0.003 . . . . . . A 65 ASP HB2 . 34724 1 742 . 1 . 1 68 68 ASP HB3 H 1 2.600 0.003 . . . . . . A 65 ASP HB3 . 34724 1 743 . 1 . 1 68 68 ASP CA C 13 57.161 0.008 . . . . . . A 65 ASP CA . 34724 1 744 . 1 . 1 68 68 ASP CB C 13 40.955 0.038 . . . . . . A 65 ASP CB . 34724 1 745 . 1 . 1 68 68 ASP N N 15 116.601 0.000 . . . . . . A 65 ASP N . 34724 1 746 . 1 . 1 69 69 ASN H H 1 7.395 0.002 . . . . . . A 66 ASN H . 34724 1 747 . 1 . 1 69 69 ASN HA H 1 4.603 0.001 . . . . . . A 66 ASN HA . 34724 1 748 . 1 . 1 69 69 ASN HB2 H 1 2.340 0.001 . . . . . . A 66 ASN HB2 . 34724 1 749 . 1 . 1 69 69 ASN HB3 H 1 2.541 0.001 . . . . . . A 66 ASN HB3 . 34724 1 750 . 1 . 1 69 69 ASN HD21 H 1 7.248 0.000 . . . . . . A 66 ASN HD21 . 34724 1 751 . 1 . 1 69 69 ASN HD22 H 1 7.676 0.001 . . . . . . A 66 ASN HD22 . 34724 1 752 . 1 . 1 69 69 ASN CA C 13 55.456 0.034 . . . . . . A 66 ASN CA . 34724 1 753 . 1 . 1 69 69 ASN CB C 13 42.355 0.034 . . . . . . A 66 ASN CB . 34724 1 754 . 1 . 1 69 69 ASN N N 15 112.726 0.000 . . . . . . A 66 ASN N . 34724 1 755 . 1 . 1 69 69 ASN ND2 N 15 115.419 0.000 . . . . . . A 66 ASN ND2 . 34724 1 756 . 1 . 1 70 70 MET H H 1 8.238 0.004 . . . . . . A 67 MET H . 34724 1 757 . 1 . 1 70 70 MET HA H 1 4.844 0.001 . . . . . . A 67 MET HA . 34724 1 758 . 1 . 1 70 70 MET HB2 H 1 1.681 0.005 . . . . . . A 67 MET HB2 . 34724 1 759 . 1 . 1 70 70 MET HB3 H 1 2.080 0.001 . . . . . . A 67 MET HB3 . 34724 1 760 . 1 . 1 70 70 MET HG2 H 1 1.787 0.002 . . . . . . A 67 MET HG2 . 34724 1 761 . 1 . 1 70 70 MET HG3 H 1 1.986 0.000 . . . . . . A 67 MET HG3 . 34724 1 762 . 1 . 1 70 70 MET HE1 H 1 1.362 0.000 . . . . . . A 67 MET HE1 . 34724 1 763 . 1 . 1 70 70 MET HE2 H 1 1.362 0.000 . . . . . . A 67 MET HE2 . 34724 1 764 . 1 . 1 70 70 MET HE3 H 1 1.362 0.000 . . . . . . A 67 MET HE3 . 34724 1 765 . 1 . 1 70 70 MET CA C 13 53.825 0.006 . . . . . . A 67 MET CA . 34724 1 766 . 1 . 1 70 70 MET CB C 13 32.846 0.140 . . . . . . A 67 MET CB . 34724 1 767 . 1 . 1 70 70 MET CG C 13 33.597 0.034 . . . . . . A 67 MET CG . 34724 1 768 . 1 . 1 70 70 MET CE C 13 16.729 0.000 . . . . . . A 67 MET CE . 34724 1 769 . 1 . 1 70 70 MET N N 15 113.606 0.000 . . . . . . A 67 MET N . 34724 1 770 . 1 . 1 71 71 ASN H H 1 8.168 0.003 . . . . . . A 68 ASN H . 34724 1 771 . 1 . 1 71 71 ASN HA H 1 4.371 0.000 . . . . . . A 68 ASN HA . 34724 1 772 . 1 . 1 71 71 ASN HB2 H 1 3.247 0.006 . . . . . . A 68 ASN HB2 . 34724 1 773 . 1 . 1 71 71 ASN HB3 H 1 2.968 0.003 . . . . . . A 68 ASN HB3 . 34724 1 774 . 1 . 1 71 71 ASN HD21 H 1 7.101 0.000 . . . . . . A 68 ASN HD21 . 34724 1 775 . 1 . 1 71 71 ASN HD22 H 1 7.945 0.003 . . . . . . A 68 ASN HD22 . 34724 1 776 . 1 . 1 71 71 ASN CA C 13 56.395 0.000 . . . . . . A 68 ASN CA . 34724 1 777 . 1 . 1 71 71 ASN CB C 13 38.802 0.014 . . . . . . A 68 ASN CB . 34724 1 778 . 1 . 1 71 71 ASN N N 15 119.569 0.000 . . . . . . A 68 ASN N . 34724 1 779 . 1 . 1 71 71 ASN ND2 N 15 116.265 0.004 . . . . . . A 68 ASN ND2 . 34724 1 780 . 1 . 1 72 72 GLU H H 1 8.609 0.002 . . . . . . A 69 GLU H . 34724 1 781 . 1 . 1 72 72 GLU HA H 1 3.950 0.001 . . . . . . A 69 GLU HA . 34724 1 782 . 1 . 1 72 72 GLU HB2 H 1 2.189 0.003 . . . . . . A 69 GLU HB2 . 34724 1 783 . 1 . 1 72 72 GLU HB3 H 1 2.302 0.001 . . . . . . A 69 GLU HB3 . 34724 1 784 . 1 . 1 72 72 GLU HG2 H 1 2.134 0.000 . . . . . . A 69 GLU HG2 . 34724 1 785 . 1 . 1 72 72 GLU HG3 H 1 2.263 0.001 . . . . . . A 69 GLU HG3 . 34724 1 786 . 1 . 1 72 72 GLU CA C 13 58.921 0.001 . . . . . . A 69 GLU CA . 34724 1 787 . 1 . 1 72 72 GLU CB C 13 26.701 0.013 . . . . . . A 69 GLU CB . 34724 1 788 . 1 . 1 72 72 GLU CG C 13 37.147 0.033 . . . . . . A 69 GLU CG . 34724 1 789 . 1 . 1 72 72 GLU N N 15 121.484 0.000 . . . . . . A 69 GLU N . 34724 1 790 . 1 . 1 73 73 SER H H 1 7.647 0.003 . . . . . . A 70 SER H . 34724 1 791 . 1 . 1 73 73 SER HA H 1 4.595 0.000 . . . . . . A 70 SER HA . 34724 1 792 . 1 . 1 73 73 SER HB2 H 1 3.819 0.001 . . . . . . A 70 SER HB2 . 34724 1 793 . 1 . 1 73 73 SER HB3 H 1 4.054 0.002 . . . . . . A 70 SER HB3 . 34724 1 794 . 1 . 1 73 73 SER CA C 13 58.016 0.007 . . . . . . A 70 SER CA . 34724 1 795 . 1 . 1 73 73 SER CB C 13 65.047 0.009 . . . . . . A 70 SER CB . 34724 1 796 . 1 . 1 73 73 SER N N 15 115.074 0.000 . . . . . . A 70 SER N . 34724 1 797 . 1 . 1 74 74 GLU H H 1 8.276 0.002 . . . . . . A 71 GLU H . 34724 1 798 . 1 . 1 74 74 GLU HA H 1 4.964 0.004 . . . . . . A 71 GLU HA . 34724 1 799 . 1 . 1 74 74 GLU HB2 H 1 1.775 0.001 . . . . . . A 71 GLU HB2 . 34724 1 800 . 1 . 1 74 74 GLU HB3 H 1 1.822 0.001 . . . . . . A 71 GLU HB3 . 34724 1 801 . 1 . 1 74 74 GLU HG2 H 1 2.063 0.002 . . . . . . A 71 GLU HG2 . 34724 1 802 . 1 . 1 74 74 GLU HG3 H 1 1.886 0.001 . . . . . . A 71 GLU HG3 . 34724 1 803 . 1 . 1 74 74 GLU CA C 13 55.315 0.022 . . . . . . A 71 GLU CA . 34724 1 804 . 1 . 1 74 74 GLU CB C 13 31.975 0.009 . . . . . . A 71 GLU CB . 34724 1 805 . 1 . 1 74 74 GLU CG C 13 36.711 0.014 . . . . . . A 71 GLU CG . 34724 1 806 . 1 . 1 74 74 GLU N N 15 117.787 0.000 . . . . . . A 71 GLU N . 34724 1 807 . 1 . 1 75 75 LEU H H 1 9.026 0.008 . . . . . . A 72 LEU H . 34724 1 808 . 1 . 1 75 75 LEU HA H 1 4.559 0.000 . . . . . . A 72 LEU HA . 34724 1 809 . 1 . 1 75 75 LEU HB2 H 1 1.730 0.000 . . . . . . A 72 LEU HB2 . 34724 1 810 . 1 . 1 75 75 LEU HB3 H 1 1.336 0.001 . . . . . . A 72 LEU HB3 . 34724 1 811 . 1 . 1 75 75 LEU HG H 1 1.698 0.002 . . . . . . A 72 LEU HG . 34724 1 812 . 1 . 1 75 75 LEU HD11 H 1 0.693 0.001 . . . . . . A 72 LEU HD11 . 34724 1 813 . 1 . 1 75 75 LEU HD12 H 1 0.693 0.001 . . . . . . A 72 LEU HD12 . 34724 1 814 . 1 . 1 75 75 LEU HD13 H 1 0.693 0.001 . . . . . . A 72 LEU HD13 . 34724 1 815 . 1 . 1 75 75 LEU HD21 H 1 0.815 0.003 . . . . . . A 72 LEU HD21 . 34724 1 816 . 1 . 1 75 75 LEU HD22 H 1 0.815 0.003 . . . . . . A 72 LEU HD22 . 34724 1 817 . 1 . 1 75 75 LEU HD23 H 1 0.815 0.003 . . . . . . A 72 LEU HD23 . 34724 1 818 . 1 . 1 75 75 LEU CA C 13 54.716 0.034 . . . . . . A 72 LEU CA . 34724 1 819 . 1 . 1 75 75 LEU CB C 13 45.007 0.003 . . . . . . A 72 LEU CB . 34724 1 820 . 1 . 1 75 75 LEU CG C 13 26.733 0.067 . . . . . . A 72 LEU CG . 34724 1 821 . 1 . 1 75 75 LEU CD1 C 13 25.292 0.041 . . . . . . A 72 LEU CD1 . 34724 1 822 . 1 . 1 75 75 LEU CD2 C 13 23.629 0.012 . . . . . . A 72 LEU CD2 . 34724 1 823 . 1 . 1 75 75 LEU N N 15 126.823 0.000 . . . . . . A 72 LEU N . 34724 1 824 . 1 . 1 76 76 PHE H H 1 9.787 0.006 . . . . . . A 73 PHE H . 34724 1 825 . 1 . 1 76 76 PHE HA H 1 3.922 0.002 . . . . . . A 73 PHE HA . 34724 1 826 . 1 . 1 76 76 PHE HB2 H 1 2.711 0.003 . . . . . . A 73 PHE HB2 . 34724 1 827 . 1 . 1 76 76 PHE HB3 H 1 3.475 0.001 . . . . . . A 73 PHE HB3 . 34724 1 828 . 1 . 1 76 76 PHE HD1 H 1 7.097 0.000 . . . . . . A 73 PHE HD1 . 34724 1 829 . 1 . 1 76 76 PHE HD2 H 1 7.097 0.000 . . . . . . A 73 PHE HD2 . 34724 1 830 . 1 . 1 76 76 PHE HE1 H 1 7.257 0.000 . . . . . . A 73 PHE HE1 . 34724 1 831 . 1 . 1 76 76 PHE HE2 H 1 7.257 0.000 . . . . . . A 73 PHE HE2 . 34724 1 832 . 1 . 1 76 76 PHE HZ H 1 7.251 0.000 . . . . . . A 73 PHE HZ . 34724 1 833 . 1 . 1 76 76 PHE CA C 13 59.336 0.005 . . . . . . A 73 PHE CA . 34724 1 834 . 1 . 1 76 76 PHE CB C 13 37.132 0.050 . . . . . . A 73 PHE CB . 34724 1 835 . 1 . 1 76 76 PHE CD1 C 13 130.955 0.000 . . . . . . A 73 PHE CD1 . 34724 1 836 . 1 . 1 76 76 PHE CE1 C 13 131.569 0.000 . . . . . . A 73 PHE CE1 . 34724 1 837 . 1 . 1 76 76 PHE CZ C 13 129.695 0.000 . . . . . . A 73 PHE CZ . 34724 1 838 . 1 . 1 76 76 PHE N N 15 128.897 0.000 . . . . . . A 73 PHE N . 34724 1 839 . 1 . 1 77 77 GLY H H 1 8.675 0.001 . . . . . . A 74 GLY H . 34724 1 840 . 1 . 1 77 77 GLY HA2 H 1 3.637 0.002 . . . . . . A 74 GLY HA2 . 34724 1 841 . 1 . 1 77 77 GLY HA3 H 1 4.049 0.001 . . . . . . A 74 GLY HA3 . 34724 1 842 . 1 . 1 77 77 GLY CA C 13 45.808 0.034 . . . . . . A 74 GLY CA . 34724 1 843 . 1 . 1 77 77 GLY N N 15 102.139 0.000 . . . . . . A 74 GLY N . 34724 1 844 . 1 . 1 78 78 ARG H H 1 7.551 0.004 . . . . . . A 75 ARG H . 34724 1 845 . 1 . 1 78 78 ARG HA H 1 4.779 0.001 . . . . . . A 75 ARG HA . 34724 1 846 . 1 . 1 78 78 ARG HB2 H 1 2.057 0.002 . . . . . . A 75 ARG HB2 . 34724 1 847 . 1 . 1 78 78 ARG HB3 H 1 1.814 0.007 . . . . . . A 75 ARG HB3 . 34724 1 848 . 1 . 1 78 78 ARG HG2 H 1 1.699 0.000 . . . . . . A 75 ARG HG2 . 34724 1 849 . 1 . 1 78 78 ARG HG3 H 1 1.699 0.000 . . . . . . A 75 ARG HG3 . 34724 1 850 . 1 . 1 78 78 ARG HD2 H 1 3.164 0.000 . . . . . . A 75 ARG HD2 . 34724 1 851 . 1 . 1 78 78 ARG HD3 H 1 3.164 0.000 . . . . . . A 75 ARG HD3 . 34724 1 852 . 1 . 1 78 78 ARG CA C 13 53.732 0.032 . . . . . . A 75 ARG CA . 34724 1 853 . 1 . 1 78 78 ARG CB C 13 33.175 0.052 . . . . . . A 75 ARG CB . 34724 1 854 . 1 . 1 78 78 ARG CG C 13 26.655 0.010 . . . . . . A 75 ARG CG . 34724 1 855 . 1 . 1 78 78 ARG CD C 13 43.063 0.001 . . . . . . A 75 ARG CD . 34724 1 856 . 1 . 1 78 78 ARG N N 15 119.147 0.000 . . . . . . A 75 ARG N . 34724 1 857 . 1 . 1 79 79 THR H H 1 8.392 0.003 . . . . . . A 76 THR H . 34724 1 858 . 1 . 1 79 79 THR HA H 1 4.605 0.002 . . . . . . A 76 THR HA . 34724 1 859 . 1 . 1 79 79 THR HB H 1 3.880 0.001 . . . . . . A 76 THR HB . 34724 1 860 . 1 . 1 79 79 THR HG21 H 1 1.094 0.000 . . . . . . A 76 THR HG21 . 34724 1 861 . 1 . 1 79 79 THR HG22 H 1 1.094 0.000 . . . . . . A 76 THR HG22 . 34724 1 862 . 1 . 1 79 79 THR HG23 H 1 1.094 0.000 . . . . . . A 76 THR HG23 . 34724 1 863 . 1 . 1 79 79 THR CA C 13 63.002 0.041 . . . . . . A 76 THR CA . 34724 1 864 . 1 . 1 79 79 THR CB C 13 69.413 0.024 . . . . . . A 76 THR CB . 34724 1 865 . 1 . 1 79 79 THR CG2 C 13 21.985 0.002 . . . . . . A 76 THR CG2 . 34724 1 866 . 1 . 1 79 79 THR N N 15 119.036 0.000 . . . . . . A 76 THR N . 34724 1 867 . 1 . 1 80 80 ILE H H 1 8.790 0.002 . . . . . . A 77 ILE H . 34724 1 868 . 1 . 1 80 80 ILE HA H 1 5.120 0.002 . . . . . . A 77 ILE HA . 34724 1 869 . 1 . 1 80 80 ILE HB H 1 1.908 0.004 . . . . . . A 77 ILE HB . 34724 1 870 . 1 . 1 80 80 ILE HG12 H 1 1.198 0.000 . . . . . . A 77 ILE HG12 . 34724 1 871 . 1 . 1 80 80 ILE HG13 H 1 1.479 0.000 . . . . . . A 77 ILE HG13 . 34724 1 872 . 1 . 1 80 80 ILE HG21 H 1 0.818 0.001 . . . . . . A 77 ILE HG21 . 34724 1 873 . 1 . 1 80 80 ILE HG22 H 1 0.818 0.001 . . . . . . A 77 ILE HG22 . 34724 1 874 . 1 . 1 80 80 ILE HG23 H 1 0.818 0.001 . . . . . . A 77 ILE HG23 . 34724 1 875 . 1 . 1 80 80 ILE HD11 H 1 0.629 0.001 . . . . . . A 77 ILE HD11 . 34724 1 876 . 1 . 1 80 80 ILE HD12 H 1 0.629 0.001 . . . . . . A 77 ILE HD12 . 34724 1 877 . 1 . 1 80 80 ILE HD13 H 1 0.629 0.001 . . . . . . A 77 ILE HD13 . 34724 1 878 . 1 . 1 80 80 ILE CA C 13 60.007 0.010 . . . . . . A 77 ILE CA . 34724 1 879 . 1 . 1 80 80 ILE CB C 13 40.675 0.037 . . . . . . A 77 ILE CB . 34724 1 880 . 1 . 1 80 80 ILE CG1 C 13 24.765 0.020 . . . . . . A 77 ILE CG1 . 34724 1 881 . 1 . 1 80 80 ILE CG2 C 13 19.055 0.002 . . . . . . A 77 ILE CG2 . 34724 1 882 . 1 . 1 80 80 ILE CD1 C 13 14.295 0.002 . . . . . . A 77 ILE CD1 . 34724 1 883 . 1 . 1 80 80 ILE N N 15 121.735 0.000 . . . . . . A 77 ILE N . 34724 1 884 . 1 . 1 81 81 ARG H H 1 8.187 0.003 . . . . . . A 78 ARG H . 34724 1 885 . 1 . 1 81 81 ARG HA H 1 4.985 0.001 . . . . . . A 78 ARG HA . 34724 1 886 . 1 . 1 81 81 ARG HB2 H 1 1.817 0.002 . . . . . . A 78 ARG HB2 . 34724 1 887 . 1 . 1 81 81 ARG HB3 H 1 1.686 0.001 . . . . . . A 78 ARG HB3 . 34724 1 888 . 1 . 1 81 81 ARG HG2 H 1 1.685 0.000 . . . . . . A 78 ARG HG2 . 34724 1 889 . 1 . 1 81 81 ARG HG3 H 1 1.644 0.000 . . . . . . A 78 ARG HG3 . 34724 1 890 . 1 . 1 81 81 ARG HD2 H 1 3.264 0.001 . . . . . . A 78 ARG HD2 . 34724 1 891 . 1 . 1 81 81 ARG HD3 H 1 3.264 0.001 . . . . . . A 78 ARG HD3 . 34724 1 892 . 1 . 1 81 81 ARG CA C 13 53.732 0.021 . . . . . . A 78 ARG CA . 34724 1 893 . 1 . 1 81 81 ARG CB C 13 32.528 0.007 . . . . . . A 78 ARG CB . 34724 1 894 . 1 . 1 81 81 ARG CG C 13 27.210 0.020 . . . . . . A 78 ARG CG . 34724 1 895 . 1 . 1 81 81 ARG CD C 13 43.126 0.007 . . . . . . A 78 ARG CD . 34724 1 896 . 1 . 1 81 81 ARG N N 15 121.958 0.000 . . . . . . A 78 ARG N . 34724 1 897 . 1 . 1 82 82 VAL H H 1 8.954 0.001 . . . . . . A 79 VAL H . 34724 1 898 . 1 . 1 82 82 VAL HA H 1 5.389 0.001 . . . . . . A 79 VAL HA . 34724 1 899 . 1 . 1 82 82 VAL HB H 1 1.792 0.002 . . . . . . A 79 VAL HB . 34724 1 900 . 1 . 1 82 82 VAL HG11 H 1 0.984 0.001 . . . . . . A 79 VAL HG11 . 34724 1 901 . 1 . 1 82 82 VAL HG12 H 1 0.984 0.001 . . . . . . A 79 VAL HG12 . 34724 1 902 . 1 . 1 82 82 VAL HG13 H 1 0.984 0.001 . . . . . . A 79 VAL HG13 . 34724 1 903 . 1 . 1 82 82 VAL HG21 H 1 1.012 0.000 . . . . . . A 79 VAL HG21 . 34724 1 904 . 1 . 1 82 82 VAL HG22 H 1 1.012 0.000 . . . . . . A 79 VAL HG22 . 34724 1 905 . 1 . 1 82 82 VAL HG23 H 1 1.012 0.000 . . . . . . A 79 VAL HG23 . 34724 1 906 . 1 . 1 82 82 VAL CA C 13 60.384 0.008 . . . . . . A 79 VAL CA . 34724 1 907 . 1 . 1 82 82 VAL CB C 13 35.281 0.022 . . . . . . A 79 VAL CB . 34724 1 908 . 1 . 1 82 82 VAL CG1 C 13 24.469 0.005 . . . . . . A 79 VAL CG1 . 34724 1 909 . 1 . 1 82 82 VAL CG2 C 13 22.510 0.000 . . . . . . A 79 VAL CG2 . 34724 1 910 . 1 . 1 82 82 VAL N N 15 122.972 0.000 . . . . . . A 79 VAL N . 34724 1 911 . 1 . 1 83 83 ASN H H 1 8.951 0.004 . . . . . . A 80 ASN H . 34724 1 912 . 1 . 1 83 83 ASN HA H 1 4.776 0.003 . . . . . . A 80 ASN HA . 34724 1 913 . 1 . 1 83 83 ASN HB2 H 1 2.803 0.013 . . . . . . A 80 ASN HB2 . 34724 1 914 . 1 . 1 83 83 ASN HB3 H 1 2.977 0.011 . . . . . . A 80 ASN HB3 . 34724 1 915 . 1 . 1 83 83 ASN HD21 H 1 7.194 0.001 . . . . . . A 80 ASN HD21 . 34724 1 916 . 1 . 1 83 83 ASN HD22 H 1 6.521 0.000 . . . . . . A 80 ASN HD22 . 34724 1 917 . 1 . 1 83 83 ASN CA C 13 52.019 0.010 . . . . . . A 80 ASN CA . 34724 1 918 . 1 . 1 83 83 ASN CB C 13 42.302 0.110 . . . . . . A 80 ASN CB . 34724 1 919 . 1 . 1 83 83 ASN N N 15 120.682 0.000 . . . . . . A 80 ASN N . 34724 1 920 . 1 . 1 83 83 ASN ND2 N 15 111.291 0.001 . . . . . . A 80 ASN ND2 . 34724 1 921 . 1 . 1 84 84 LEU H H 1 8.832 0.002 . . . . . . A 81 LEU H . 34724 1 922 . 1 . 1 84 84 LEU HA H 1 4.466 0.000 . . . . . . A 81 LEU HA . 34724 1 923 . 1 . 1 84 84 LEU HB2 H 1 1.550 0.000 . . . . . . A 81 LEU HB2 . 34724 1 924 . 1 . 1 84 84 LEU HB3 H 1 1.654 0.003 . . . . . . A 81 LEU HB3 . 34724 1 925 . 1 . 1 84 84 LEU HG H 1 1.668 0.001 . . . . . . A 81 LEU HG . 34724 1 926 . 1 . 1 84 84 LEU HD11 H 1 0.920 0.000 . . . . . . A 81 LEU HD11 . 34724 1 927 . 1 . 1 84 84 LEU HD12 H 1 0.920 0.000 . . . . . . A 81 LEU HD12 . 34724 1 928 . 1 . 1 84 84 LEU HD13 H 1 0.920 0.000 . . . . . . A 81 LEU HD13 . 34724 1 929 . 1 . 1 84 84 LEU HD21 H 1 0.778 0.002 . . . . . . A 81 LEU HD21 . 34724 1 930 . 1 . 1 84 84 LEU HD22 H 1 0.778 0.002 . . . . . . A 81 LEU HD22 . 34724 1 931 . 1 . 1 84 84 LEU HD23 H 1 0.778 0.002 . . . . . . A 81 LEU HD23 . 34724 1 932 . 1 . 1 84 84 LEU CA C 13 56.313 0.085 . . . . . . A 81 LEU CA . 34724 1 933 . 1 . 1 84 84 LEU CB C 13 42.157 0.015 . . . . . . A 81 LEU CB . 34724 1 934 . 1 . 1 84 84 LEU CG C 13 26.753 0.009 . . . . . . A 81 LEU CG . 34724 1 935 . 1 . 1 84 84 LEU CD1 C 13 25.430 0.003 . . . . . . A 81 LEU CD1 . 34724 1 936 . 1 . 1 84 84 LEU CD2 C 13 23.491 0.019 . . . . . . A 81 LEU CD2 . 34724 1 937 . 1 . 1 84 84 LEU N N 15 121.245 0.000 . . . . . . A 81 LEU N . 34724 1 938 . 1 . 1 85 85 ALA H H 1 8.699 0.002 . . . . . . A 82 ALA H . 34724 1 939 . 1 . 1 85 85 ALA HA H 1 4.370 0.001 . . . . . . A 82 ALA HA . 34724 1 940 . 1 . 1 85 85 ALA HB1 H 1 1.342 0.001 . . . . . . A 82 ALA HB1 . 34724 1 941 . 1 . 1 85 85 ALA HB2 H 1 1.342 0.001 . . . . . . A 82 ALA HB2 . 34724 1 942 . 1 . 1 85 85 ALA HB3 H 1 1.342 0.001 . . . . . . A 82 ALA HB3 . 34724 1 943 . 1 . 1 85 85 ALA CA C 13 52.330 0.013 . . . . . . A 82 ALA CA . 34724 1 944 . 1 . 1 85 85 ALA CB C 13 19.447 0.007 . . . . . . A 82 ALA CB . 34724 1 945 . 1 . 1 85 85 ALA N N 15 126.588 0.000 . . . . . . A 82 ALA N . 34724 1 946 . 1 . 1 87 87 PRO HA H 1 4.360 0.000 . . . . . . A 84 PRO HA . 34724 1 947 . 1 . 1 87 87 PRO HB2 H 1 2.097 0.000 . . . . . . A 84 PRO HB2 . 34724 1 948 . 1 . 1 87 87 PRO HB3 H 1 1.785 0.000 . . . . . . A 84 PRO HB3 . 34724 1 949 . 1 . 1 87 87 PRO HG2 H 1 1.958 0.000 . . . . . . A 84 PRO HG2 . 34724 1 950 . 1 . 1 87 87 PRO HG3 H 1 1.876 0.000 . . . . . . A 84 PRO HG3 . 34724 1 951 . 1 . 1 87 87 PRO HD2 H 1 3.742 0.000 . . . . . . A 84 PRO HD2 . 34724 1 952 . 1 . 1 87 87 PRO HD3 H 1 3.564 0.000 . . . . . . A 84 PRO HD3 . 34724 1 953 . 1 . 1 87 87 PRO CA C 13 63.047 0.000 . . . . . . A 84 PRO CA . 34724 1 954 . 1 . 1 87 87 PRO CB C 13 31.820 0.028 . . . . . . A 84 PRO CB . 34724 1 955 . 1 . 1 87 87 PRO CG C 13 27.536 0.002 . . . . . . A 84 PRO CG . 34724 1 956 . 1 . 1 87 87 PRO CD C 13 50.361 0.000 . . . . . . A 84 PRO CD . 34724 1 957 . 1 . 1 88 88 MET H H 1 8.176 0.004 . . . . . . A 85 MET H . 34724 1 958 . 1 . 1 88 88 MET HA H 1 4.363 0.000 . . . . . . A 85 MET HA . 34724 1 959 . 1 . 1 88 88 MET HB2 H 1 2.385 0.001 . . . . . . A 85 MET HB2 . 34724 1 960 . 1 . 1 88 88 MET HB3 H 1 2.385 0.001 . . . . . . A 85 MET HB3 . 34724 1 961 . 1 . 1 88 88 MET HG2 H 1 1.899 0.002 . . . . . . A 85 MET HG2 . 34724 1 962 . 1 . 1 88 88 MET HG3 H 1 1.792 0.000 . . . . . . A 85 MET HG3 . 34724 1 963 . 1 . 1 88 88 MET HE1 H 1 1.847 0.000 . . . . . . A 85 MET HE1 . 34724 1 964 . 1 . 1 88 88 MET HE2 H 1 1.847 0.000 . . . . . . A 85 MET HE2 . 34724 1 965 . 1 . 1 88 88 MET HE3 H 1 1.847 0.000 . . . . . . A 85 MET HE3 . 34724 1 966 . 1 . 1 88 88 MET CA C 13 56.915 0.007 . . . . . . A 85 MET CA . 34724 1 967 . 1 . 1 88 88 MET CB C 13 32.102 0.019 . . . . . . A 85 MET CB . 34724 1 968 . 1 . 1 88 88 MET CG C 13 34.013 0.015 . . . . . . A 85 MET CG . 34724 1 969 . 1 . 1 88 88 MET CE C 13 17.232 0.004 . . . . . . A 85 MET CE . 34724 1 970 . 1 . 1 88 88 MET N N 15 120.565 0.000 . . . . . . A 85 MET N . 34724 1 971 . 1 . 1 89 89 ARG H H 1 8.167 0.001 . . . . . . A 86 ARG H . 34724 1 972 . 1 . 1 89 89 ARG HA H 1 4.413 0.000 . . . . . . A 86 ARG HA . 34724 1 973 . 1 . 1 89 89 ARG HB2 H 1 1.717 0.000 . . . . . . A 86 ARG HB2 . 34724 1 974 . 1 . 1 89 89 ARG HB3 H 1 1.652 0.001 . . . . . . A 86 ARG HB3 . 34724 1 975 . 1 . 1 89 89 ARG HG2 H 1 1.514 0.000 . . . . . . A 86 ARG HG2 . 34724 1 976 . 1 . 1 89 89 ARG HG3 H 1 1.452 0.000 . . . . . . A 86 ARG HG3 . 34724 1 977 . 1 . 1 89 89 ARG CA C 13 56.130 0.009 . . . . . . A 86 ARG CA . 34724 1 978 . 1 . 1 89 89 ARG CB C 13 30.716 0.016 . . . . . . A 86 ARG CB . 34724 1 979 . 1 . 1 89 89 ARG CG C 13 27.189 0.000 . . . . . . A 86 ARG CG . 34724 1 980 . 1 . 1 89 89 ARG N N 15 120.204 0.000 . . . . . . A 86 ARG N . 34724 1 981 . 1 . 1 90 90 ILE H H 1 8.126 0.003 . . . . . . A 87 ILE H . 34724 1 982 . 1 . 1 90 90 ILE HA H 1 4.101 0.002 . . . . . . A 87 ILE HA . 34724 1 983 . 1 . 1 90 90 ILE HB H 1 1.739 0.000 . . . . . . A 87 ILE HB . 34724 1 984 . 1 . 1 90 90 ILE HG12 H 1 1.346 0.001 . . . . . . A 87 ILE HG12 . 34724 1 985 . 1 . 1 90 90 ILE HG13 H 1 1.038 0.000 . . . . . . A 87 ILE HG13 . 34724 1 986 . 1 . 1 90 90 ILE HG21 H 1 0.784 0.000 . . . . . . A 87 ILE HG21 . 34724 1 987 . 1 . 1 90 90 ILE HG22 H 1 0.784 0.000 . . . . . . A 87 ILE HG22 . 34724 1 988 . 1 . 1 90 90 ILE HG23 H 1 0.784 0.000 . . . . . . A 87 ILE HG23 . 34724 1 989 . 1 . 1 90 90 ILE HD11 H 1 0.723 0.001 . . . . . . A 87 ILE HD11 . 34724 1 990 . 1 . 1 90 90 ILE HD12 H 1 0.723 0.001 . . . . . . A 87 ILE HD12 . 34724 1 991 . 1 . 1 90 90 ILE HD13 H 1 0.723 0.001 . . . . . . A 87 ILE HD13 . 34724 1 992 . 1 . 1 90 90 ILE CA C 13 60.853 0.028 . . . . . . A 87 ILE CA . 34724 1 993 . 1 . 1 90 90 ILE CB C 13 38.882 0.015 . . . . . . A 87 ILE CB . 34724 1 994 . 1 . 1 90 90 ILE CG1 C 13 27.305 0.009 . . . . . . A 87 ILE CG1 . 34724 1 995 . 1 . 1 90 90 ILE CG2 C 13 17.648 0.003 . . . . . . A 87 ILE CG2 . 34724 1 996 . 1 . 1 90 90 ILE CD1 C 13 12.953 0.001 . . . . . . A 87 ILE CD1 . 34724 1 997 . 1 . 1 90 90 ILE N N 15 122.150 0.000 . . . . . . A 87 ILE N . 34724 1 998 . 1 . 1 91 91 LYS H H 1 8.356 0.009 . . . . . . A 88 LYS H . 34724 1 999 . 1 . 1 91 91 LYS HA H 1 4.240 0.000 . . . . . . A 88 LYS HA . 34724 1 1000 . 1 . 1 91 91 LYS HB2 H 1 1.769 0.000 . . . . . . A 88 LYS HB2 . 34724 1 1001 . 1 . 1 91 91 LYS HB3 H 1 1.678 0.002 . . . . . . A 88 LYS HB3 . 34724 1 1002 . 1 . 1 91 91 LYS HG2 H 1 1.359 0.001 . . . . . . A 88 LYS HG2 . 34724 1 1003 . 1 . 1 91 91 LYS HG3 H 1 1.339 0.001 . . . . . . A 88 LYS HG3 . 34724 1 1004 . 1 . 1 91 91 LYS HD2 H 1 1.624 0.000 . . . . . . A 88 LYS HD2 . 34724 1 1005 . 1 . 1 91 91 LYS HD3 H 1 1.624 0.000 . . . . . . A 88 LYS HD3 . 34724 1 1006 . 1 . 1 91 91 LYS HE2 H 1 2.949 0.002 . . . . . . A 88 LYS HE2 . 34724 1 1007 . 1 . 1 91 91 LYS HE3 H 1 2.949 0.002 . . . . . . A 88 LYS HE3 . 34724 1 1008 . 1 . 1 91 91 LYS CA C 13 56.341 0.030 . . . . . . A 88 LYS CA . 34724 1 1009 . 1 . 1 91 91 LYS CB C 13 33.146 0.009 . . . . . . A 88 LYS CB . 34724 1 1010 . 1 . 1 91 91 LYS CG C 13 24.718 0.015 . . . . . . A 88 LYS CG . 34724 1 1011 . 1 . 1 91 91 LYS CD C 13 29.317 0.052 . . . . . . A 88 LYS CD . 34724 1 1012 . 1 . 1 91 91 LYS CE C 13 41.675 0.048 . . . . . . A 88 LYS CE . 34724 1 1013 . 1 . 1 91 91 LYS N N 15 125.568 0.000 . . . . . . A 88 LYS N . 34724 1 1014 . 1 . 1 92 92 GLU H H 1 8.473 0.005 . . . . . . A 89 GLU H . 34724 1 1015 . 1 . 1 92 92 GLU HA H 1 4.209 0.000 . . . . . . A 89 GLU HA . 34724 1 1016 . 1 . 1 92 92 GLU HB2 H 1 2.008 0.000 . . . . . . A 89 GLU HB2 . 34724 1 1017 . 1 . 1 92 92 GLU HB3 H 1 1.933 0.001 . . . . . . A 89 GLU HB3 . 34724 1 1018 . 1 . 1 92 92 GLU HG2 H 1 2.234 0.003 . . . . . . A 89 GLU HG2 . 34724 1 1019 . 1 . 1 92 92 GLU HG3 H 1 2.234 0.003 . . . . . . A 89 GLU HG3 . 34724 1 1020 . 1 . 1 92 92 GLU CA C 13 57.063 0.001 . . . . . . A 89 GLU CA . 34724 1 1021 . 1 . 1 92 92 GLU CB C 13 30.134 0.018 . . . . . . A 89 GLU CB . 34724 1 1022 . 1 . 1 92 92 GLU CG C 13 36.341 0.005 . . . . . . A 89 GLU CG . 34724 1 1023 . 1 . 1 92 92 GLU N N 15 123.248 0.000 . . . . . . A 89 GLU N . 34724 1 1024 . 1 . 1 93 93 GLY H H 1 8.488 0.000 . . . . . . A 90 GLY H . 34724 1 1025 . 1 . 1 93 93 GLY HA2 H 1 4.024 0.000 . . . . . . A 90 GLY HA2 . 34724 1 1026 . 1 . 1 93 93 GLY HA3 H 1 3.897 0.000 . . . . . . A 90 GLY HA3 . 34724 1 1027 . 1 . 1 93 93 GLY CA C 13 45.490 0.003 . . . . . . A 90 GLY CA . 34724 1 1028 . 1 . 1 93 93 GLY N N 15 110.725 0.000 . . . . . . A 90 GLY N . 34724 1 1029 . 1 . 1 94 94 SER H H 1 8.119 0.002 . . . . . . A 91 SER H . 34724 1 1030 . 1 . 1 94 94 SER HA H 1 4.503 0.006 . . . . . . A 91 SER HA . 34724 1 1031 . 1 . 1 94 94 SER HB2 H 1 3.821 0.006 . . . . . . A 91 SER HB2 . 34724 1 1032 . 1 . 1 94 94 SER HB3 H 1 3.821 0.006 . . . . . . A 91 SER HB3 . 34724 1 1033 . 1 . 1 94 94 SER CA C 13 58.162 0.050 . . . . . . A 91 SER CA . 34724 1 1034 . 1 . 1 94 94 SER CB C 13 63.972 0.027 . . . . . . A 91 SER CB . 34724 1 1035 . 1 . 1 94 94 SER N N 15 115.453 0.000 . . . . . . A 91 SER N . 34724 1 1036 . 1 . 1 95 95 SER H H 1 8.348 0.004 . . . . . . A 92 SER H . 34724 1 1037 . 1 . 1 95 95 SER HA H 1 4.443 0.000 . . . . . . A 92 SER HA . 34724 1 1038 . 1 . 1 95 95 SER HB2 H 1 3.860 0.007 . . . . . . A 92 SER HB2 . 34724 1 1039 . 1 . 1 95 95 SER HB3 H 1 3.860 0.007 . . . . . . A 92 SER HB3 . 34724 1 1040 . 1 . 1 95 95 SER CA C 13 58.391 0.000 . . . . . . A 92 SER CA . 34724 1 1041 . 1 . 1 95 95 SER CB C 13 64.050 0.022 . . . . . . A 92 SER CB . 34724 1 1042 . 1 . 1 95 95 SER N N 15 117.711 0.000 . . . . . . A 92 SER N . 34724 1 1043 . 1 . 1 96 96 ARG H H 1 8.115 0.008 . . . . . . A 93 ARG H . 34724 1 1044 . 1 . 1 96 96 ARG HA H 1 4.504 0.001 . . . . . . A 93 ARG HA . 34724 1 1045 . 1 . 1 96 96 ARG HB2 H 1 1.719 0.003 . . . . . . A 93 ARG HB2 . 34724 1 1046 . 1 . 1 96 96 ARG HB3 H 1 1.601 0.003 . . . . . . A 93 ARG HB3 . 34724 1 1047 . 1 . 1 96 96 ARG HG2 H 1 1.524 0.001 . . . . . . A 93 ARG HG2 . 34724 1 1048 . 1 . 1 96 96 ARG HG3 H 1 1.524 0.001 . . . . . . A 93 ARG HG3 . 34724 1 1049 . 1 . 1 96 96 ARG HD2 H 1 3.065 0.003 . . . . . . A 93 ARG HD2 . 34724 1 1050 . 1 . 1 96 96 ARG HD3 H 1 3.065 0.003 . . . . . . A 93 ARG HD3 . 34724 1 1051 . 1 . 1 96 96 ARG CA C 13 53.997 0.120 . . . . . . A 93 ARG CA . 34724 1 1052 . 1 . 1 96 96 ARG CB C 13 30.477 0.098 . . . . . . A 93 ARG CB . 34724 1 1053 . 1 . 1 96 96 ARG CG C 13 26.822 0.123 . . . . . . A 93 ARG CG . 34724 1 1054 . 1 . 1 96 96 ARG CD C 13 43.322 0.030 . . . . . . A 93 ARG CD . 34724 1 1055 . 1 . 1 96 96 ARG N N 15 123.034 0.000 . . . . . . A 93 ARG N . 34724 1 1056 . 1 . 1 97 97 PRO HA H 1 4.262 0.000 . . . . . . A 94 PRO HA . 34724 1 1057 . 1 . 1 97 97 PRO HB2 H 1 1.847 0.000 . . . . . . A 94 PRO HB2 . 34724 1 1058 . 1 . 1 97 97 PRO HB3 H 1 1.243 0.000 . . . . . . A 94 PRO HB3 . 34724 1 1059 . 1 . 1 97 97 PRO HG2 H 1 1.775 0.000 . . . . . . A 94 PRO HG2 . 34724 1 1060 . 1 . 1 97 97 PRO HG3 H 1 1.744 0.000 . . . . . . A 94 PRO HG3 . 34724 1 1061 . 1 . 1 97 97 PRO HD2 H 1 3.651 0.000 . . . . . . A 94 PRO HD2 . 34724 1 1062 . 1 . 1 97 97 PRO HD3 H 1 3.402 0.000 . . . . . . A 94 PRO HD3 . 34724 1 1063 . 1 . 1 97 97 PRO CA C 13 62.796 0.000 . . . . . . A 94 PRO CA . 34724 1 1064 . 1 . 1 97 97 PRO CB C 13 31.768 0.004 . . . . . . A 94 PRO CB . 34724 1 1065 . 1 . 1 97 97 PRO CG C 13 27.386 0.001 . . . . . . A 94 PRO CG . 34724 1 1066 . 1 . 1 97 97 PRO CD C 13 50.510 0.009 . . . . . . A 94 PRO CD . 34724 1 1067 . 1 . 1 98 98 VAL H H 1 8.007 0.001 . . . . . . A 95 VAL H . 34724 1 1068 . 1 . 1 98 98 VAL HA H 1 3.955 0.001 . . . . . . A 95 VAL HA . 34724 1 1069 . 1 . 1 98 98 VAL HB H 1 1.898 0.001 . . . . . . A 95 VAL HB . 34724 1 1070 . 1 . 1 98 98 VAL HG11 H 1 0.762 0.000 . . . . . . A 95 VAL HG11 . 34724 1 1071 . 1 . 1 98 98 VAL HG12 H 1 0.762 0.000 . . . . . . A 95 VAL HG12 . 34724 1 1072 . 1 . 1 98 98 VAL HG13 H 1 0.762 0.000 . . . . . . A 95 VAL HG13 . 34724 1 1073 . 1 . 1 98 98 VAL HG21 H 1 0.758 0.001 . . . . . . A 95 VAL HG21 . 34724 1 1074 . 1 . 1 98 98 VAL HG22 H 1 0.758 0.001 . . . . . . A 95 VAL HG22 . 34724 1 1075 . 1 . 1 98 98 VAL HG23 H 1 0.758 0.001 . . . . . . A 95 VAL HG23 . 34724 1 1076 . 1 . 1 98 98 VAL CA C 13 62.270 0.005 . . . . . . A 95 VAL CA . 34724 1 1077 . 1 . 1 98 98 VAL CB C 13 32.755 0.006 . . . . . . A 95 VAL CB . 34724 1 1078 . 1 . 1 98 98 VAL CG1 C 13 20.356 0.005 . . . . . . A 95 VAL CG1 . 34724 1 1079 . 1 . 1 98 98 VAL CG2 C 13 21.283 0.004 . . . . . . A 95 VAL CG2 . 34724 1 1080 . 1 . 1 98 98 VAL N N 15 119.304 0.000 . . . . . . A 95 VAL N . 34724 1 1081 . 1 . 1 99 99 TRP H H 1 7.748 0.005 . . . . . . A 96 TRP H . 34724 1 1082 . 1 . 1 99 99 TRP HA H 1 4.671 0.006 . . . . . . A 96 TRP HA . 34724 1 1083 . 1 . 1 99 99 TRP HB2 H 1 3.105 0.001 . . . . . . A 96 TRP HB2 . 34724 1 1084 . 1 . 1 99 99 TRP HB3 H 1 3.105 0.001 . . . . . . A 96 TRP HB3 . 34724 1 1085 . 1 . 1 99 99 TRP HD1 H 1 7.064 0.000 . . . . . . A 96 TRP HD1 . 34724 1 1086 . 1 . 1 99 99 TRP HE1 H 1 10.083 0.001 . . . . . . A 96 TRP HE1 . 34724 1 1087 . 1 . 1 99 99 TRP HE3 H 1 6.980 0.000 . . . . . . A 96 TRP HE3 . 34724 1 1088 . 1 . 1 99 99 TRP HZ2 H 1 7.289 0.000 . . . . . . A 96 TRP HZ2 . 34724 1 1089 . 1 . 1 99 99 TRP HZ3 H 1 6.904 0.000 . . . . . . A 96 TRP HZ3 . 34724 1 1090 . 1 . 1 99 99 TRP HH2 H 1 7.378 0.000 . . . . . . A 96 TRP HH2 . 34724 1 1091 . 1 . 1 99 99 TRP CA C 13 56.786 0.006 . . . . . . A 96 TRP CA . 34724 1 1092 . 1 . 1 99 99 TRP CB C 13 29.881 0.000 . . . . . . A 96 TRP CB . 34724 1 1093 . 1 . 1 99 99 TRP CD1 C 13 127.146 0.000 . . . . . . A 96 TRP CD1 . 34724 1 1094 . 1 . 1 99 99 TRP CE3 C 13 124.434 0.000 . . . . . . A 96 TRP CE3 . 34724 1 1095 . 1 . 1 99 99 TRP CZ2 C 13 114.535 0.001 . . . . . . A 96 TRP CZ2 . 34724 1 1096 . 1 . 1 99 99 TRP CZ3 C 13 121.873 0.000 . . . . . . A 96 TRP CZ3 . 34724 1 1097 . 1 . 1 99 99 TRP CH2 C 13 120.741 0.000 . . . . . . A 96 TRP CH2 . 34724 1 1098 . 1 . 1 99 99 TRP N N 15 122.097 0.000 . . . . . . A 96 TRP N . 34724 1 1099 . 1 . 1 99 99 TRP NE1 N 15 129.653 0.000 . . . . . . A 96 TRP NE1 . 34724 1 1100 . 1 . 1 100 100 SER H H 1 8.013 0.006 . . . . . . A 97 SER H . 34724 1 1101 . 1 . 1 100 100 SER HA H 1 4.416 0.000 . . . . . . A 97 SER HA . 34724 1 1102 . 1 . 1 100 100 SER HB2 H 1 3.804 0.002 . . . . . . A 97 SER HB2 . 34724 1 1103 . 1 . 1 100 100 SER HB3 H 1 3.651 0.001 . . . . . . A 97 SER HB3 . 34724 1 1104 . 1 . 1 100 100 SER CA C 13 57.939 0.000 . . . . . . A 97 SER CA . 34724 1 1105 . 1 . 1 100 100 SER CB C 13 64.479 0.071 . . . . . . A 97 SER CB . 34724 1 1106 . 1 . 1 100 100 SER N N 15 116.292 0.000 . . . . . . A 97 SER N . 34724 1 1107 . 1 . 1 101 101 ASP H H 1 8.290 0.000 . . . . . . A 98 ASP H . 34724 1 1108 . 1 . 1 101 101 ASP HA H 1 4.591 0.007 . . . . . . A 98 ASP HA . 34724 1 1109 . 1 . 1 101 101 ASP HB2 H 1 2.764 0.003 . . . . . . A 98 ASP HB2 . 34724 1 1110 . 1 . 1 101 101 ASP HB3 H 1 2.633 0.000 . . . . . . A 98 ASP HB3 . 34724 1 1111 . 1 . 1 101 101 ASP CA C 13 54.988 0.045 . . . . . . A 98 ASP CA . 34724 1 1112 . 1 . 1 101 101 ASP CB C 13 41.310 0.011 . . . . . . A 98 ASP CB . 34724 1 1113 . 1 . 1 101 101 ASP N N 15 122.067 0.000 . . . . . . A 98 ASP N . 34724 1 1114 . 1 . 1 102 102 ASP H H 1 8.227 0.000 . . . . . . A 99 ASP H . 34724 1 1115 . 1 . 1 102 102 ASP HA H 1 4.384 0.000 . . . . . . A 99 ASP HA . 34724 1 1116 . 1 . 1 102 102 ASP CA C 13 55.380 0.000 . . . . . . A 99 ASP CA . 34724 1 1117 . 1 . 1 102 102 ASP N N 15 120.146 0.000 . . . . . . A 99 ASP N . 34724 1 1118 . 1 . 1 103 103 ASP H H 1 8.329 0.000 . . . . . . A 100 ASP H . 34724 1 1119 . 1 . 1 103 103 ASP HA H 1 4.472 0.000 . . . . . . A 100 ASP HA . 34724 1 1120 . 1 . 1 103 103 ASP HB2 H 1 2.586 0.000 . . . . . . A 100 ASP HB2 . 34724 1 1121 . 1 . 1 103 103 ASP HB3 H 1 2.586 0.000 . . . . . . A 100 ASP HB3 . 34724 1 1122 . 1 . 1 103 103 ASP CA C 13 55.546 0.000 . . . . . . A 100 ASP CA . 34724 1 1123 . 1 . 1 103 103 ASP CB C 13 41.177 0.000 . . . . . . A 100 ASP CB . 34724 1 1124 . 1 . 1 103 103 ASP N N 15 121.992 0.000 . . . . . . A 100 ASP N . 34724 1 1125 . 1 . 1 104 104 TRP H H 1 7.950 0.009 . . . . . . A 101 TRP H . 34724 1 1126 . 1 . 1 104 104 TRP HA H 1 4.274 0.001 . . . . . . A 101 TRP HA . 34724 1 1127 . 1 . 1 104 104 TRP HB2 H 1 3.289 0.005 . . . . . . A 101 TRP HB2 . 34724 1 1128 . 1 . 1 104 104 TRP HB3 H 1 3.289 0.005 . . . . . . A 101 TRP HB3 . 34724 1 1129 . 1 . 1 104 104 TRP HD1 H 1 7.256 0.000 . . . . . . A 101 TRP HD1 . 34724 1 1130 . 1 . 1 104 104 TRP HE1 H 1 10.053 0.000 . . . . . . A 101 TRP HE1 . 34724 1 1131 . 1 . 1 104 104 TRP HE3 H 1 7.030 0.000 . . . . . . A 101 TRP HE3 . 34724 1 1132 . 1 . 1 104 104 TRP HZ2 H 1 7.317 0.000 . . . . . . A 101 TRP HZ2 . 34724 1 1133 . 1 . 1 104 104 TRP HZ3 H 1 6.902 0.000 . . . . . . A 101 TRP HZ3 . 34724 1 1134 . 1 . 1 104 104 TRP HH2 H 1 7.404 0.000 . . . . . . A 101 TRP HH2 . 34724 1 1135 . 1 . 1 104 104 TRP CA C 13 59.652 0.001 . . . . . . A 101 TRP CA . 34724 1 1136 . 1 . 1 104 104 TRP CB C 13 28.996 0.003 . . . . . . A 101 TRP CB . 34724 1 1137 . 1 . 1 104 104 TRP CD1 C 13 127.258 0.000 . . . . . . A 101 TRP CD1 . 34724 1 1138 . 1 . 1 104 104 TRP CE3 C 13 124.399 0.000 . . . . . . A 101 TRP CE3 . 34724 1 1139 . 1 . 1 104 104 TRP CZ2 C 13 114.550 0.002 . . . . . . A 101 TRP CZ2 . 34724 1 1140 . 1 . 1 104 104 TRP CZ3 C 13 121.868 0.000 . . . . . . A 101 TRP CZ3 . 34724 1 1141 . 1 . 1 104 104 TRP CH2 C 13 120.731 0.000 . . . . . . A 101 TRP CH2 . 34724 1 1142 . 1 . 1 104 104 TRP N N 15 120.749 0.000 . . . . . . A 101 TRP N . 34724 1 1143 . 1 . 1 104 104 TRP NE1 N 15 129.607 0.000 . . . . . . A 101 TRP NE1 . 34724 1 1144 . 1 . 1 105 105 LEU H H 1 7.740 0.007 . . . . . . A 102 LEU H . 34724 1 1145 . 1 . 1 105 105 LEU HA H 1 3.918 0.002 . . . . . . A 102 LEU HA . 34724 1 1146 . 1 . 1 105 105 LEU HB2 H 1 1.422 0.000 . . . . . . A 102 LEU HB2 . 34724 1 1147 . 1 . 1 105 105 LEU HB3 H 1 1.449 0.000 . . . . . . A 102 LEU HB3 . 34724 1 1148 . 1 . 1 105 105 LEU HG H 1 1.293 0.003 . . . . . . A 102 LEU HG . 34724 1 1149 . 1 . 1 105 105 LEU HD11 H 1 0.686 0.001 . . . . . . A 102 LEU HD11 . 34724 1 1150 . 1 . 1 105 105 LEU HD12 H 1 0.686 0.001 . . . . . . A 102 LEU HD12 . 34724 1 1151 . 1 . 1 105 105 LEU HD13 H 1 0.686 0.001 . . . . . . A 102 LEU HD13 . 34724 1 1152 . 1 . 1 105 105 LEU HD21 H 1 0.769 0.000 . . . . . . A 102 LEU HD21 . 34724 1 1153 . 1 . 1 105 105 LEU HD22 H 1 0.769 0.000 . . . . . . A 102 LEU HD22 . 34724 1 1154 . 1 . 1 105 105 LEU HD23 H 1 0.769 0.000 . . . . . . A 102 LEU HD23 . 34724 1 1155 . 1 . 1 105 105 LEU CA C 13 56.713 0.006 . . . . . . A 102 LEU CA . 34724 1 1156 . 1 . 1 105 105 LEU CB C 13 41.920 0.026 . . . . . . A 102 LEU CB . 34724 1 1157 . 1 . 1 105 105 LEU CG C 13 26.885 0.002 . . . . . . A 102 LEU CG . 34724 1 1158 . 1 . 1 105 105 LEU CD1 C 13 23.907 0.001 . . . . . . A 102 LEU CD1 . 34724 1 1159 . 1 . 1 105 105 LEU CD2 C 13 24.966 0.012 . . . . . . A 102 LEU CD2 . 34724 1 1160 . 1 . 1 105 105 LEU N N 15 119.157 0.000 . . . . . . A 102 LEU N . 34724 1 1161 . 1 . 1 106 106 LYS H H 1 7.748 0.000 . . . . . . A 103 LYS H . 34724 1 1162 . 1 . 1 106 106 LYS HA H 1 4.036 0.000 . . . . . . A 103 LYS HA . 34724 1 1163 . 1 . 1 106 106 LYS HB2 H 1 1.756 0.001 . . . . . . A 103 LYS HB2 . 34724 1 1164 . 1 . 1 106 106 LYS HB3 H 1 1.756 0.001 . . . . . . A 103 LYS HB3 . 34724 1 1165 . 1 . 1 106 106 LYS HG2 H 1 1.422 0.002 . . . . . . A 103 LYS HG2 . 34724 1 1166 . 1 . 1 106 106 LYS HG3 H 1 1.322 0.001 . . . . . . A 103 LYS HG3 . 34724 1 1167 . 1 . 1 106 106 LYS HD2 H 1 1.622 0.001 . . . . . . A 103 LYS HD2 . 34724 1 1168 . 1 . 1 106 106 LYS HD3 H 1 1.622 0.001 . . . . . . A 103 LYS HD3 . 34724 1 1169 . 1 . 1 106 106 LYS HE2 H 1 2.903 0.001 . . . . . . A 103 LYS HE2 . 34724 1 1170 . 1 . 1 106 106 LYS HE3 H 1 2.903 0.001 . . . . . . A 103 LYS HE3 . 34724 1 1171 . 1 . 1 106 106 LYS CA C 13 57.748 0.000 . . . . . . A 103 LYS CA . 34724 1 1172 . 1 . 1 106 106 LYS CB C 13 32.493 0.005 . . . . . . A 103 LYS CB . 34724 1 1173 . 1 . 1 106 106 LYS CG C 13 25.177 0.023 . . . . . . A 103 LYS CG . 34724 1 1174 . 1 . 1 106 106 LYS CD C 13 29.143 0.001 . . . . . . A 103 LYS CD . 34724 1 1175 . 1 . 1 106 106 LYS CE C 13 42.186 0.001 . . . . . . A 103 LYS CE . 34724 1 1176 . 1 . 1 106 106 LYS N N 15 119.195 0.000 . . . . . . A 103 LYS N . 34724 1 1177 . 1 . 1 107 107 LYS H H 1 7.671 0.003 . . . . . . A 104 LYS H . 34724 1 1178 . 1 . 1 107 107 LYS HA H 1 4.034 0.000 . . . . . . A 104 LYS HA . 34724 1 1179 . 1 . 1 107 107 LYS HB2 H 1 1.487 0.001 . . . . . . A 104 LYS HB2 . 34724 1 1180 . 1 . 1 107 107 LYS HB3 H 1 1.439 0.004 . . . . . . A 104 LYS HB3 . 34724 1 1181 . 1 . 1 107 107 LYS HG2 H 1 1.110 0.000 . . . . . . A 104 LYS HG2 . 34724 1 1182 . 1 . 1 107 107 LYS HG3 H 1 1.053 0.001 . . . . . . A 104 LYS HG3 . 34724 1 1183 . 1 . 1 107 107 LYS HD2 H 1 1.401 0.000 . . . . . . A 104 LYS HD2 . 34724 1 1184 . 1 . 1 107 107 LYS HD3 H 1 1.401 0.000 . . . . . . A 104 LYS HD3 . 34724 1 1185 . 1 . 1 107 107 LYS HE2 H 1 2.737 0.000 . . . . . . A 104 LYS HE2 . 34724 1 1186 . 1 . 1 107 107 LYS HE3 H 1 2.737 0.000 . . . . . . A 104 LYS HE3 . 34724 1 1187 . 1 . 1 107 107 LYS CA C 13 57.380 0.015 . . . . . . A 104 LYS CA . 34724 1 1188 . 1 . 1 107 107 LYS CB C 13 32.613 0.045 . . . . . . A 104 LYS CB . 34724 1 1189 . 1 . 1 107 107 LYS CG C 13 24.664 0.007 . . . . . . A 104 LYS CG . 34724 1 1190 . 1 . 1 107 107 LYS CD C 13 29.000 0.033 . . . . . . A 104 LYS CD . 34724 1 1191 . 1 . 1 107 107 LYS CE C 13 41.965 0.001 . . . . . . A 104 LYS CE . 34724 1 1192 . 1 . 1 107 107 LYS N N 15 119.223 0.000 . . . . . . A 104 LYS N . 34724 1 1193 . 1 . 1 108 108 PHE H H 1 7.882 0.001 . . . . . . A 105 PHE H . 34724 1 1194 . 1 . 1 108 108 PHE HA H 1 4.539 0.000 . . . . . . A 105 PHE HA . 34724 1 1195 . 1 . 1 108 108 PHE HB2 H 1 3.040 0.001 . . . . . . A 105 PHE HB2 . 34724 1 1196 . 1 . 1 108 108 PHE HB3 H 1 2.659 0.000 . . . . . . A 105 PHE HB3 . 34724 1 1197 . 1 . 1 108 108 PHE HD1 H 1 7.080 0.000 . . . . . . A 105 PHE HD1 . 34724 1 1198 . 1 . 1 108 108 PHE HD2 H 1 7.080 0.000 . . . . . . A 105 PHE HD2 . 34724 1 1199 . 1 . 1 108 108 PHE HE1 H 1 7.098 0.000 . . . . . . A 105 PHE HE1 . 34724 1 1200 . 1 . 1 108 108 PHE HE2 H 1 7.098 0.000 . . . . . . A 105 PHE HE2 . 34724 1 1201 . 1 . 1 108 108 PHE CA C 13 57.973 0.004 . . . . . . A 105 PHE CA . 34724 1 1202 . 1 . 1 108 108 PHE CB C 13 39.371 0.017 . . . . . . A 105 PHE CB . 34724 1 1203 . 1 . 1 108 108 PHE CD1 C 13 131.901 0.000 . . . . . . A 105 PHE CD1 . 34724 1 1204 . 1 . 1 108 108 PHE CE1 C 13 131.214 0.000 . . . . . . A 105 PHE CE1 . 34724 1 1205 . 1 . 1 108 108 PHE N N 15 118.738 0.000 . . . . . . A 105 PHE N . 34724 1 1206 . 1 . 1 109 109 SER H H 1 7.962 0.000 . . . . . . A 106 SER H . 34724 1 1207 . 1 . 1 109 109 SER HA H 1 4.360 0.000 . . . . . . A 106 SER HA . 34724 1 1208 . 1 . 1 109 109 SER HB2 H 1 3.860 0.000 . . . . . . A 106 SER HB2 . 34724 1 1209 . 1 . 1 109 109 SER HB3 H 1 3.860 0.000 . . . . . . A 106 SER HB3 . 34724 1 1210 . 1 . 1 109 109 SER CA C 13 58.806 0.000 . . . . . . A 106 SER CA . 34724 1 1211 . 1 . 1 109 109 SER CB C 13 62.649 0.000 . . . . . . A 106 SER CB . 34724 1 1212 . 1 . 1 109 109 SER N N 15 116.157 0.000 . . . . . . A 106 SER N . 34724 1 1213 . 1 . 1 110 110 GLY H H 1 8.041 0.008 . . . . . . A 107 GLY H . 34724 1 1214 . 1 . 1 110 110 GLY HA2 H 1 3.896 0.001 . . . . . . A 107 GLY HA2 . 34724 1 1215 . 1 . 1 110 110 GLY HA3 H 1 3.896 0.001 . . . . . . A 107 GLY HA3 . 34724 1 1216 . 1 . 1 110 110 GLY CA C 13 45.541 0.005 . . . . . . A 107 GLY CA . 34724 1 1217 . 1 . 1 110 110 GLY N N 15 110.325 0.000 . . . . . . A 107 GLY N . 34724 1 1218 . 1 . 1 111 111 LYS H H 1 8.030 0.001 . . . . . . A 108 LYS H . 34724 1 1219 . 1 . 1 111 111 LYS HA H 1 4.363 0.000 . . . . . . A 108 LYS HA . 34724 1 1220 . 1 . 1 111 111 LYS HG2 H 1 1.385 0.000 . . . . . . A 108 LYS HG2 . 34724 1 1221 . 1 . 1 111 111 LYS HG3 H 1 1.357 0.000 . . . . . . A 108 LYS HG3 . 34724 1 1222 . 1 . 1 111 111 LYS HD2 H 1 1.684 0.000 . . . . . . A 108 LYS HD2 . 34724 1 1223 . 1 . 1 111 111 LYS HD3 H 1 1.629 0.006 . . . . . . A 108 LYS HD3 . 34724 1 1224 . 1 . 1 111 111 LYS HE2 H 1 2.942 0.000 . . . . . . A 108 LYS HE2 . 34724 1 1225 . 1 . 1 111 111 LYS HE3 H 1 2.942 0.000 . . . . . . A 108 LYS HE3 . 34724 1 1226 . 1 . 1 111 111 LYS CA C 13 56.297 0.000 . . . . . . A 108 LYS CA . 34724 1 1227 . 1 . 1 111 111 LYS CG C 13 24.756 0.021 . . . . . . A 108 LYS CG . 34724 1 1228 . 1 . 1 111 111 LYS CD C 13 29.312 0.004 . . . . . . A 108 LYS CD . 34724 1 1229 . 1 . 1 111 111 LYS CE C 13 42.363 0.000 . . . . . . A 108 LYS CE . 34724 1 1230 . 1 . 1 111 111 LYS N N 15 120.704 0.000 . . . . . . A 108 LYS N . 34724 1 1231 . 1 . 1 112 112 THR H H 1 8.160 0.001 . . . . . . A 109 THR H . 34724 1 1232 . 1 . 1 112 112 THR HA H 1 4.288 0.000 . . . . . . A 109 THR HA . 34724 1 1233 . 1 . 1 112 112 THR HB H 1 4.173 0.000 . . . . . . A 109 THR HB . 34724 1 1234 . 1 . 1 112 112 THR HG21 H 1 1.164 0.001 . . . . . . A 109 THR HG21 . 34724 1 1235 . 1 . 1 112 112 THR HG22 H 1 1.164 0.001 . . . . . . A 109 THR HG22 . 34724 1 1236 . 1 . 1 112 112 THR HG23 H 1 1.164 0.001 . . . . . . A 109 THR HG23 . 34724 1 1237 . 1 . 1 112 112 THR CA C 13 62.020 0.009 . . . . . . A 109 THR CA . 34724 1 1238 . 1 . 1 112 112 THR CB C 13 69.859 0.000 . . . . . . A 109 THR CB . 34724 1 1239 . 1 . 1 112 112 THR CG2 C 13 21.768 0.006 . . . . . . A 109 THR CG2 . 34724 1 1240 . 1 . 1 112 112 THR N N 15 115.667 0.000 . . . . . . A 109 THR N . 34724 1 1241 . 1 . 1 113 113 LEU H H 1 8.233 0.001 . . . . . . A 110 LEU H . 34724 1 1242 . 1 . 1 113 113 LEU HB2 H 1 1.604 0.001 . . . . . . A 110 LEU HB2 . 34724 1 1243 . 1 . 1 113 113 LEU HB3 H 1 1.567 0.000 . . . . . . A 110 LEU HB3 . 34724 1 1244 . 1 . 1 113 113 LEU HG H 1 1.569 0.001 . . . . . . A 110 LEU HG . 34724 1 1245 . 1 . 1 113 113 LEU HD11 H 1 0.870 0.001 . . . . . . A 110 LEU HD11 . 34724 1 1246 . 1 . 1 113 113 LEU HD12 H 1 0.870 0.001 . . . . . . A 110 LEU HD12 . 34724 1 1247 . 1 . 1 113 113 LEU HD13 H 1 0.870 0.001 . . . . . . A 110 LEU HD13 . 34724 1 1248 . 1 . 1 113 113 LEU HD21 H 1 0.870 0.001 . . . . . . A 110 LEU HD21 . 34724 1 1249 . 1 . 1 113 113 LEU HD22 H 1 0.870 0.001 . . . . . . A 110 LEU HD22 . 34724 1 1250 . 1 . 1 113 113 LEU HD23 H 1 0.870 0.001 . . . . . . A 110 LEU HD23 . 34724 1 1251 . 1 . 1 113 113 LEU CB C 13 42.319 0.004 . . . . . . A 110 LEU CB . 34724 1 1252 . 1 . 1 113 113 LEU CG C 13 27.032 0.001 . . . . . . A 110 LEU CG . 34724 1 1253 . 1 . 1 113 113 LEU CD1 C 13 24.943 0.002 . . . . . . A 110 LEU CD1 . 34724 1 1254 . 1 . 1 113 113 LEU N N 15 124.348 0.000 . . . . . . A 110 LEU N . 34724 1 1255 . 1 . 1 114 114 GLU H H 1 8.299 0.001 . . . . . . A 111 GLU H . 34724 1 1256 . 1 . 1 114 114 GLU HA H 1 4.232 0.001 . . . . . . A 111 GLU HA . 34724 1 1257 . 1 . 1 114 114 GLU HB2 H 1 2.001 0.001 . . . . . . A 111 GLU HB2 . 34724 1 1258 . 1 . 1 114 114 GLU HB3 H 1 1.897 0.001 . . . . . . A 111 GLU HB3 . 34724 1 1259 . 1 . 1 114 114 GLU HG2 H 1 2.239 0.000 . . . . . . A 111 GLU HG2 . 34724 1 1260 . 1 . 1 114 114 GLU HG3 H 1 2.239 0.000 . . . . . . A 111 GLU HG3 . 34724 1 1261 . 1 . 1 114 114 GLU CA C 13 56.619 0.003 . . . . . . A 111 GLU CA . 34724 1 1262 . 1 . 1 114 114 GLU CB C 13 30.593 0.029 . . . . . . A 111 GLU CB . 34724 1 1263 . 1 . 1 114 114 GLU CG C 13 36.387 0.000 . . . . . . A 111 GLU CG . 34724 1 1264 . 1 . 1 114 114 GLU N N 15 121.571 0.000 . . . . . . A 111 GLU N . 34724 1 1265 . 1 . 1 115 115 GLU H H 1 8.304 0.001 . . . . . . A 112 GLU H . 34724 1 1266 . 1 . 1 115 115 GLU HA H 1 4.240 0.000 . . . . . . A 112 GLU HA . 34724 1 1267 . 1 . 1 115 115 GLU HB2 H 1 2.000 0.000 . . . . . . A 112 GLU HB2 . 34724 1 1268 . 1 . 1 115 115 GLU HB3 H 1 2.000 0.000 . . . . . . A 112 GLU HB3 . 34724 1 1269 . 1 . 1 115 115 GLU HG2 H 1 2.220 0.000 . . . . . . A 112 GLU HG2 . 34724 1 1270 . 1 . 1 115 115 GLU HG3 H 1 2.220 0.000 . . . . . . A 112 GLU HG3 . 34724 1 1271 . 1 . 1 115 115 GLU CA C 13 56.497 0.000 . . . . . . A 112 GLU CA . 34724 1 1272 . 1 . 1 115 115 GLU CB C 13 30.455 0.000 . . . . . . A 112 GLU CB . 34724 1 1273 . 1 . 1 115 115 GLU CG C 13 36.418 0.033 . . . . . . A 112 GLU CG . 34724 1 1274 . 1 . 1 115 115 GLU N N 15 121.424 0.000 . . . . . . A 112 GLU N . 34724 1 1275 . 1 . 1 116 116 ASN H H 1 8.394 0.001 . . . . . . A 113 ASN H . 34724 1 1276 . 1 . 1 116 116 ASN HA H 1 4.686 0.001 . . . . . . A 113 ASN HA . 34724 1 1277 . 1 . 1 116 116 ASN HB2 H 1 2.808 0.001 . . . . . . A 113 ASN HB2 . 34724 1 1278 . 1 . 1 116 116 ASN HB3 H 1 2.688 0.001 . . . . . . A 113 ASN HB3 . 34724 1 1279 . 1 . 1 116 116 ASN HD21 H 1 7.529 0.001 . . . . . . A 113 ASN HD21 . 34724 1 1280 . 1 . 1 116 116 ASN HD22 H 1 6.859 0.001 . . . . . . A 113 ASN HD22 . 34724 1 1281 . 1 . 1 116 116 ASN CA C 13 53.405 0.006 . . . . . . A 113 ASN CA . 34724 1 1282 . 1 . 1 116 116 ASN CB C 13 38.938 0.002 . . . . . . A 113 ASN CB . 34724 1 1283 . 1 . 1 116 116 ASN N N 15 120.195 0.000 . . . . . . A 113 ASN N . 34724 1 1284 . 1 . 1 116 116 ASN ND2 N 15 112.931 0.000 . . . . . . A 113 ASN ND2 . 34724 1 1285 . 1 . 1 117 117 LYS H H 1 7.787 0.010 . . . . . . A 114 LYS H . 34724 1 1286 . 1 . 1 117 117 LYS HA H 1 4.128 0.001 . . . . . . A 114 LYS HA . 34724 1 1287 . 1 . 1 117 117 LYS HB2 H 1 1.788 0.001 . . . . . . A 114 LYS HB2 . 34724 1 1288 . 1 . 1 117 117 LYS HB3 H 1 1.668 0.000 . . . . . . A 114 LYS HB3 . 34724 1 1289 . 1 . 1 117 117 LYS HD2 H 1 1.622 0.001 . . . . . . A 114 LYS HD2 . 34724 1 1290 . 1 . 1 117 117 LYS HD3 H 1 1.327 0.011 . . . . . . A 114 LYS HD3 . 34724 1 1291 . 1 . 1 117 117 LYS CA C 13 57.718 0.008 . . . . . . A 114 LYS CA . 34724 1 1292 . 1 . 1 117 117 LYS CB C 13 33.817 0.003 . . . . . . A 114 LYS CB . 34724 1 1293 . 1 . 1 117 117 LYS CD C 13 29.155 0.025 . . . . . . A 114 LYS CD . 34724 1 1294 . 1 . 1 117 117 LYS N N 15 126.708 0.000 . . . . . . A 114 LYS N . 34724 1 stop_ save_