data_51026 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51026 _Entry.Title ; S64V-EmrE with TPP, pH 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-23 _Entry.Accession_date 2021-07-23 _Entry.Last_release_date 2021-07-23 _Entry.Original_release_date 2021-07-23 _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 _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 Claudia Cornilescu . . . . 51026 2 Marco Tonelli . . . . 51026 3 Peyton Spreacker . J. . 0000-0002-4096-7158 51026 4 Katherine Henzler-Wildman . A. . . 51026 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Nuclear Magnetic Resonance Facility at Madison' . 51026 2 . 'University of Wisconsin - Madison' . 51026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51026 spectral_peak_list 5 51026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 625 51026 '15N chemical shifts' 207 51026 '1H chemical shifts' 208 51026 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 . . 2022-12-12 2021-07-23 update BMRB 'update entry citation' 51026 1 . . 2022-06-08 2021-07-23 original author 'original release' 51026 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51024 'S64V-EmrE, drug free, pH 5.0' 51026 BMRB 51025 'S64V-EmrE with harmane, pH 5.6' 51026 BMRB 51027 'E14Q-EmrE drug free, low pH' 51026 BMRB 51030 'E14Q-EmrE with 16mM TPP, low pH' 51026 BMRB 51031 'E14Q-EmrE with harmane, low pH' 51026 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51026 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36496486 _Citation.DOI 10.1038/s41467-022-35410-2 _Citation.Full_citation . _Citation.Title ; Activating alternative transport modes in a multidrug resistance efflux pump to confer chemical susceptibility ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7655 _Citation.Page_last 7655 _Citation.Year 2022 _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 Peyton Spreacker P. J. . . 51026 1 2 Nathan Thomas N. E. . . 51026 1 3 Will Beeninga W. F. . . 51026 1 4 Merissa Brousseau M. . . . 51026 1 5 Colin Porter C. J. . . 51026 1 6 Kylie Hibbs K. M. . . 51026 1 7 Katherine Henzler-Wildman K. A. . . 51026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51026 _Assembly.ID 1 _Assembly.Name S64V-EmrE _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23944.8016 _Assembly.Enzyme_commission_number . _Assembly.Details 'asymmetric homodimer' _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 'S64V-EmrE, Chain A' 1 $entity_1 . . yes native no no . . . 51026 1 2 'S64V-EmrE, Chain B' 1 $entity_1 . . yes native no no . . . 51026 1 3 tetraphenylphosphonium 2 $entity_P4P . . no native no no . . . 51026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51026 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWVGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'asymmetric homodimer' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'S64V mutation of E. coli EmrE' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11972.4008 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'multidrug efflux in E. coli' 51026 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 . MET . 51026 1 2 . ASN . 51026 1 3 . PRO . 51026 1 4 . TYR . 51026 1 5 . ILE . 51026 1 6 . TYR . 51026 1 7 . LEU . 51026 1 8 . GLY . 51026 1 9 . GLY . 51026 1 10 . ALA . 51026 1 11 . ILE . 51026 1 12 . LEU . 51026 1 13 . ALA . 51026 1 14 . GLU . 51026 1 15 . VAL . 51026 1 16 . ILE . 51026 1 17 . GLY . 51026 1 18 . THR . 51026 1 19 . THR . 51026 1 20 . LEU . 51026 1 21 . MET . 51026 1 22 . LYS . 51026 1 23 . PHE . 51026 1 24 . SER . 51026 1 25 . GLU . 51026 1 26 . GLY . 51026 1 27 . PHE . 51026 1 28 . THR . 51026 1 29 . ARG . 51026 1 30 . LEU . 51026 1 31 . TRP . 51026 1 32 . PRO . 51026 1 33 . SER . 51026 1 34 . VAL . 51026 1 35 . GLY . 51026 1 36 . THR . 51026 1 37 . ILE . 51026 1 38 . ILE . 51026 1 39 . CYS . 51026 1 40 . TYR . 51026 1 41 . CYS . 51026 1 42 . ALA . 51026 1 43 . SER . 51026 1 44 . PHE . 51026 1 45 . TRP . 51026 1 46 . LEU . 51026 1 47 . LEU . 51026 1 48 . ALA . 51026 1 49 . GLN . 51026 1 50 . THR . 51026 1 51 . LEU . 51026 1 52 . ALA . 51026 1 53 . TYR . 51026 1 54 . ILE . 51026 1 55 . PRO . 51026 1 56 . THR . 51026 1 57 . GLY . 51026 1 58 . ILE . 51026 1 59 . ALA . 51026 1 60 . TYR . 51026 1 61 . ALA . 51026 1 62 . ILE . 51026 1 63 . TRP . 51026 1 64 . VAL . 51026 1 65 . GLY . 51026 1 66 . VAL . 51026 1 67 . GLY . 51026 1 68 . ILE . 51026 1 69 . VAL . 51026 1 70 . LEU . 51026 1 71 . ILE . 51026 1 72 . SER . 51026 1 73 . LEU . 51026 1 74 . LEU . 51026 1 75 . SER . 51026 1 76 . TRP . 51026 1 77 . GLY . 51026 1 78 . PHE . 51026 1 79 . PHE . 51026 1 80 . GLY . 51026 1 81 . GLN . 51026 1 82 . ARG . 51026 1 83 . LEU . 51026 1 84 . ASP . 51026 1 85 . LEU . 51026 1 86 . PRO . 51026 1 87 . ALA . 51026 1 88 . ILE . 51026 1 89 . ILE . 51026 1 90 . GLY . 51026 1 91 . MET . 51026 1 92 . MET . 51026 1 93 . LEU . 51026 1 94 . ILE . 51026 1 95 . CYS . 51026 1 96 . ALA . 51026 1 97 . GLY . 51026 1 98 . VAL . 51026 1 99 . LEU . 51026 1 100 . ILE . 51026 1 101 . ILE . 51026 1 102 . ASN . 51026 1 103 . LEU . 51026 1 104 . LEU . 51026 1 105 . SER . 51026 1 106 . ARG . 51026 1 107 . SER . 51026 1 108 . THR . 51026 1 109 . PRO . 51026 1 110 . HIS . 51026 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 . MET 1 1 51026 1 . ASN 2 2 51026 1 . PRO 3 3 51026 1 . TYR 4 4 51026 1 . ILE 5 5 51026 1 . TYR 6 6 51026 1 . LEU 7 7 51026 1 . GLY 8 8 51026 1 . GLY 9 9 51026 1 . ALA 10 10 51026 1 . ILE 11 11 51026 1 . LEU 12 12 51026 1 . ALA 13 13 51026 1 . GLU 14 14 51026 1 . VAL 15 15 51026 1 . ILE 16 16 51026 1 . GLY 17 17 51026 1 . THR 18 18 51026 1 . THR 19 19 51026 1 . LEU 20 20 51026 1 . MET 21 21 51026 1 . LYS 22 22 51026 1 . PHE 23 23 51026 1 . SER 24 24 51026 1 . GLU 25 25 51026 1 . GLY 26 26 51026 1 . PHE 27 27 51026 1 . THR 28 28 51026 1 . ARG 29 29 51026 1 . LEU 30 30 51026 1 . TRP 31 31 51026 1 . PRO 32 32 51026 1 . SER 33 33 51026 1 . VAL 34 34 51026 1 . GLY 35 35 51026 1 . THR 36 36 51026 1 . ILE 37 37 51026 1 . ILE 38 38 51026 1 . CYS 39 39 51026 1 . TYR 40 40 51026 1 . CYS 41 41 51026 1 . ALA 42 42 51026 1 . SER 43 43 51026 1 . PHE 44 44 51026 1 . TRP 45 45 51026 1 . LEU 46 46 51026 1 . LEU 47 47 51026 1 . ALA 48 48 51026 1 . GLN 49 49 51026 1 . THR 50 50 51026 1 . LEU 51 51 51026 1 . ALA 52 52 51026 1 . TYR 53 53 51026 1 . ILE 54 54 51026 1 . PRO 55 55 51026 1 . THR 56 56 51026 1 . GLY 57 57 51026 1 . ILE 58 58 51026 1 . ALA 59 59 51026 1 . TYR 60 60 51026 1 . ALA 61 61 51026 1 . ILE 62 62 51026 1 . TRP 63 63 51026 1 . VAL 64 64 51026 1 . GLY 65 65 51026 1 . VAL 66 66 51026 1 . GLY 67 67 51026 1 . ILE 68 68 51026 1 . VAL 69 69 51026 1 . LEU 70 70 51026 1 . ILE 71 71 51026 1 . SER 72 72 51026 1 . LEU 73 73 51026 1 . LEU 74 74 51026 1 . SER 75 75 51026 1 . TRP 76 76 51026 1 . GLY 77 77 51026 1 . PHE 78 78 51026 1 . PHE 79 79 51026 1 . GLY 80 80 51026 1 . GLN 81 81 51026 1 . ARG 82 82 51026 1 . LEU 83 83 51026 1 . ASP 84 84 51026 1 . LEU 85 85 51026 1 . PRO 86 86 51026 1 . ALA 87 87 51026 1 . ILE 88 88 51026 1 . ILE 89 89 51026 1 . GLY 90 90 51026 1 . MET 91 91 51026 1 . MET 92 92 51026 1 . LEU 93 93 51026 1 . ILE 94 94 51026 1 . CYS 95 95 51026 1 . ALA 96 96 51026 1 . GLY 97 97 51026 1 . VAL 98 98 51026 1 . LEU 99 99 51026 1 . ILE 100 100 51026 1 . ILE 101 101 51026 1 . ASN 102 102 51026 1 . LEU 103 103 51026 1 . LEU 104 104 51026 1 . SER 105 105 51026 1 . ARG 106 106 51026 1 . SER 107 107 51026 1 . THR 108 108 51026 1 . PRO 109 109 51026 1 . HIS 110 110 51026 1 stop_ save_ save_entity_P4P _Entity.Sf_category entity _Entity.Sf_framecode entity_P4P _Entity.Entry_ID 51026 _Entity.ID 2 _Entity.BMRB_code P4P _Entity.Name entity_P4P _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID P4P _Entity.Nonpolymer_comp_label $chem_comp_P4P _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 339.389 _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 TETRAPHENYLPHOSPHONIUM BMRB 51026 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID TETRAPHENYLPHOSPHONIUM BMRB 51026 2 P4P 'Three letter code' 51026 2 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 1 P4P $chem_comp_P4P 51026 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51026 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . EmrE . 51026 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51026 _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' . . . Escherichia coli . 'BL21 Gold (DE3)' . plasmid . . pET15b . . . 51026 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_P4P _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_P4P _Chem_comp.Entry_ID 51026 _Chem_comp.ID P4P _Chem_comp.Provenance PDB _Chem_comp.Name TETRAPHENYLPHOSPHONIUM _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code P4P _Chem_comp.PDB_code P4P _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 119 _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code P4P _Chem_comp.Number_atoms_all 45 _Chem_comp.Number_atoms_nh 25 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C24 H20 P' _Chem_comp.Formula_weight 339.389 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2BOW _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 InChI InChI 1.03 51026 P4P USFPINLPPFWTJW-UHFFFAOYSA-N InChIKey InChI 1.03 51026 P4P c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 SMILES ACDLabs 10.04 51026 P4P c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 SMILES CACTVS 3.341 51026 P4P c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 SMILES 'OpenEye OEToolkits' 1.5.0 51026 P4P c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 SMILES_CANONICAL CACTVS 3.341 51026 P4P c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51026 P4P stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID tetraphenylphosphanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51026 P4P tetraphenylphosphonium 'SYSTEMATIC NAME' ACDLabs 10.04 51026 P4P stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P P P P . P . . N 1 . . . 1 N N . . . . -16.445 . 73.074 . 26.211 . 0.000 0.000 0.000 1 . 51026 P4P C1A C1A C1A C1A . C . . N 0 . . . 1 Y N . . . . -16.254 . 74.375 . 25.032 . 1.232 1.287 -0.345 2 . 51026 P4P C2A C2A C2A C2A . C . . N 0 . . . 1 Y N . . . . -16.972 . 75.572 . 25.090 . 2.462 1.252 0.284 3 . 51026 P4P C3A C3A C3A C3A . C . . N 0 . . . 1 Y N . . . . -16.775 . 76.560 . 24.123 . 3.400 2.233 0.023 4 . 51026 P4P C4A C4A C4A C4A . C . . N 0 . . . 1 Y N . . . . -15.854 . 76.358 . 23.092 . 3.109 3.248 -0.869 5 . 51026 P4P C5A C5A C5A C5A . C . . N 0 . . . 1 Y N . . . . -15.132 . 75.168 . 23.025 . 1.879 3.282 -1.499 6 . 51026 P4P C6A C6A C6A C6A . C . . N 0 . . . 1 Y N . . . . -15.328 . 74.180 . 23.991 . 0.940 2.302 -1.237 7 . 51026 P4P C1C C1C C1C C1C . C . . N 0 . . . 1 Y N . . . . -15.260 . 73.254 . 27.521 . -1.235 -0.026 -1.329 8 . 51026 P4P C6C C6C C6C C6C . C . . N 0 . . . 1 Y N . . . . -13.935 . 73.551 . 27.178 . -1.153 -0.976 -2.329 9 . 51026 P4P C5C C5C C5C C5C . C . . N 0 . . . 1 Y N . . . . -12.955 . 73.699 . 28.172 . -2.094 -0.996 -3.342 10 . 51026 P4P C4C C4C C4C C4C . C . . N 0 . . . 1 Y N . . . . -13.296 . 73.541 . 29.507 . -3.117 -0.066 -3.353 11 . 51026 P4P C3C C3C C3C C3C . C . . N 0 . . . 1 Y N . . . . -14.611 . 73.239 . 29.861 . -3.199 0.884 -2.352 12 . 51026 P4P C2C C2C C2C C2C . C . . N 0 . . . 1 Y N . . . . -15.589 . 73.095 . 28.866 . -2.260 0.901 -1.337 13 . 51026 P4P C1D C1D C1D C1D . C . . N 0 . . . 1 Y N . . . . -16.209 . 71.507 . 25.315 . 0.822 -1.614 0.094 14 . 51026 P4P C6D C6D C6D C6D . C . . N 0 . . . 1 Y N . . . . -16.781 . 71.408 . 24.039 . 0.306 -2.606 0.907 15 . 51026 P4P C5D C5D C5D C5D . C . . N 0 . . . 1 Y N . . . . -16.643 . 70.240 . 23.287 . 0.933 -3.836 0.978 16 . 51026 P4P C4D C4D C4D C4D . C . . N 0 . . . 1 Y N . . . . -15.939 . 69.157 . 23.810 . 2.074 -4.075 0.236 17 . 51026 P4P C3D C3D C3D C3D . C . . N 0 . . . 1 Y N . . . . -15.373 . 69.232 . 25.084 . 2.589 -3.084 -0.578 18 . 51026 P4P C2D C2D C2D C2D . C . . N 0 . . . 1 Y N . . . . -15.512 . 70.407 . 25.835 . 1.960 -1.855 -0.653 19 . 51026 P4P C6B C6B C6B C6B . C . . N 0 . . . 1 Y N . . . . -18.870 . 71.954 . 26.641 . -0.174 1.117 2.536 20 . 51026 P4P C5B C5B C5B C5B . C . . N 0 . . . 1 Y N . . . . -20.142 . 71.831 . 27.199 . -0.799 1.390 3.738 21 . 51026 P4P C4B C4B C4B C4B . C . . N 0 . . . 1 Y N . . . . -20.589 . 72.785 . 28.104 . -2.066 0.895 3.987 22 . 51026 P4P C3B C3B C3B C3B . C . . N 0 . . . 1 Y N . . . . -19.766 . 73.868 . 28.451 . -2.708 0.129 3.032 23 . 51026 P4P C2B C2B C2B C2B . C . . N 0 . . . 1 Y N . . . . -18.483 . 73.988 . 27.885 . -2.084 -0.141 1.828 24 . 51026 P4P C1B C1B C1B C1B . C . . N 0 . . . 1 Y N . . . . -18.032 . 73.032 . 26.975 . -0.818 0.355 1.579 25 . 51026 P4P H2A H2A H2A H2A . H . . N 0 . . . 1 N N . . . . -17.698 . 75.737 . 25.903 . 2.690 0.459 0.982 26 . 51026 P4P H3A H3A H3A H3A . H . . N 0 . . . 1 N N . . . . -17.347 . 77.501 . 24.173 . 4.362 2.206 0.515 27 . 51026 P4P H4A H4A H4A H4A . H . . N 0 . . . 1 N N . . . . -15.696 . 77.139 . 22.329 . 3.843 4.012 -1.077 28 . 51026 P4P H5A H5A H5A H5A . H . . N 0 . . . 1 N N . . . . -14.407 . 75.008 . 22.209 . 1.651 4.076 -2.195 29 . 51026 P4P H6A H6A H6A H6A . H . . N 0 . . . 1 N N . . . . -14.749 . 73.242 . 23.931 . -0.021 2.329 -1.728 30 . 51026 P4P H6C H6C H6C H6C . H . . N 0 . . . 1 N N . . . . -13.661 . 73.669 . 26.116 . -0.354 -1.703 -2.321 31 . 51026 P4P H5C H5C H5C H5C . H . . N 0 . . . 1 N N . . . . -11.912 . 73.940 . 27.903 . -2.030 -1.738 -4.124 32 . 51026 P4P H4C H4C H4C H4C . H . . N 0 . . . 1 N N . . . . -12.523 . 73.655 . 30.285 . -3.852 -0.081 -4.145 33 . 51026 P4P H3C H3C H3C H3C . H . . N 0 . . . 1 N N . . . . -14.876 . 73.114 . 30.924 . -3.998 1.610 -2.361 34 . 51026 P4P H2C H2C H2C H2C . H . . N 0 . . . 1 N N . . . . -16.628 . 72.854 . 29.144 . -2.324 1.643 -0.555 35 . 51026 P4P H6D H6D H6D H6D . H . . N 0 . . . 1 N N . . . . -17.346 . 72.258 . 23.622 . -0.585 -2.419 1.487 36 . 51026 P4P H5D H5D H5D H5D . H . . N 0 . . . 1 N N . . . . -17.089 . 70.172 . 22.280 . 0.530 -4.611 1.614 37 . 51026 P4P H4D H4D H4D H4D . H . . N 0 . . . 1 N N . . . . -15.829 . 68.236 . 23.212 . 2.564 -5.036 0.292 38 . 51026 P4P H3D H3D H3D H3D . H . . N 0 . . . 1 N N . . . . -14.820 . 68.369 . 25.493 . 3.481 -3.270 -1.158 39 . 51026 P4P H2D H2D H2D H2D . H . . N 0 . . . 1 N N . . . . -15.069 . 70.466 . 26.843 . 2.363 -1.080 -1.289 40 . 51026 P4P H6B H6B H6B H6B . H . . N 0 . . . 1 N N . . . . -18.522 . 71.189 . 25.926 . 0.815 1.504 2.342 41 . 51026 P4P H5B H5B H5B H5B . H . . N 0 . . . 1 N N . . . . -20.791 . 70.982 . 26.925 . -0.298 1.989 4.484 42 . 51026 P4P H4B H4B H4B H4B . H . . N 0 . . . 1 N N . . . . -21.594 . 72.682 . 28.545 . -2.553 1.107 4.927 43 . 51026 P4P H3B H3B H3B H3B . H . . N 0 . . . 1 N N . . . . -20.127 . 74.624 . 29.168 . -3.697 -0.258 3.226 44 . 51026 P4P H2B H2B H2B H2B . H . . N 0 . . . 1 N N . . . . -17.828 . 74.833 . 28.155 . -2.586 -0.740 1.083 45 . 51026 P4P stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING P C1A N N 1 . 51026 P4P 2 . SING P C1C N N 2 . 51026 P4P 3 . SING P C1D N N 3 . 51026 P4P 4 . SING P C1B N N 4 . 51026 P4P 5 . SING C1A C2A Y N 5 . 51026 P4P 6 . DOUB C1A C6A Y N 6 . 51026 P4P 7 . DOUB C2A C3A Y N 7 . 51026 P4P 8 . SING C2A H2A N N 8 . 51026 P4P 9 . SING C3A C4A Y N 9 . 51026 P4P 10 . SING C3A H3A N N 10 . 51026 P4P 11 . DOUB C4A C5A Y N 11 . 51026 P4P 12 . SING C4A H4A N N 12 . 51026 P4P 13 . SING C5A C6A Y N 13 . 51026 P4P 14 . SING C5A H5A N N 14 . 51026 P4P 15 . SING C6A H6A N N 15 . 51026 P4P 16 . DOUB C1C C6C Y N 16 . 51026 P4P 17 . SING C1C C2C Y N 17 . 51026 P4P 18 . SING C6C C5C Y N 18 . 51026 P4P 19 . SING C6C H6C N N 19 . 51026 P4P 20 . DOUB C5C C4C Y N 20 . 51026 P4P 21 . SING C5C H5C N N 21 . 51026 P4P 22 . SING C4C C3C Y N 22 . 51026 P4P 23 . SING C4C H4C N N 23 . 51026 P4P 24 . DOUB C3C C2C Y N 24 . 51026 P4P 25 . SING C3C H3C N N 25 . 51026 P4P 26 . SING C2C H2C N N 26 . 51026 P4P 27 . DOUB C1D C6D Y N 27 . 51026 P4P 28 . SING C1D C2D Y N 28 . 51026 P4P 29 . SING C6D C5D Y N 29 . 51026 P4P 30 . SING C6D H6D N N 30 . 51026 P4P 31 . DOUB C5D C4D Y N 31 . 51026 P4P 32 . SING C5D H5D N N 32 . 51026 P4P 33 . SING C4D C3D Y N 33 . 51026 P4P 34 . SING C4D H4D N N 34 . 51026 P4P 35 . DOUB C3D C2D Y N 35 . 51026 P4P 36 . SING C3D H3D N N 36 . 51026 P4P 37 . SING C2D H2D N N 37 . 51026 P4P 38 . DOUB C6B C5B Y N 38 . 51026 P4P 39 . SING C6B C1B Y N 39 . 51026 P4P 40 . SING C6B H6B N N 40 . 51026 P4P 41 . SING C5B C4B Y N 41 . 51026 P4P 42 . SING C5B H5B N N 42 . 51026 P4P 43 . DOUB C4B C3B Y N 43 . 51026 P4P 44 . SING C4B H4B N N 44 . 51026 P4P 45 . SING C3B C2B Y N 45 . 51026 P4P 46 . SING C3B H3B N N 46 . 51026 P4P 47 . DOUB C2B C1B Y N 47 . 51026 P4P 48 . SING C2B H2B N N 48 . 51026 P4P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51026 _Sample.ID 1 _Sample.Name 'S64V-EmrE with TPP' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 S64V-EmrE '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 51026 1 2 'Tetraphenyl phosphonium' 'natural abundance' . . 2 $entity_P4P . . 5.4 . . mM . . . . 51026 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51026 1 4 DSS 'natural abundance' . . . . . . 1 . . % . . . . 51026 1 5 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 51026 1 6 MES 'natural abundance' . . . . . . 100 . . mM . . . . 51026 1 7 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51026 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51026 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'S64V-EmrE with TPP' _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' 0.02 . M 51026 1 pH 5.85 . pH 51026 1 pressure 1 . atm 51026 1 temperature 318 . K 51026 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51026 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details 'the CcpNMR assignment and data analysis application' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51026 1 'spectrum analysis' . 51026 1 'spectrum display' . 51026 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51026 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version any _Software.DOI . _Software.Details 'NMRPipe spectral processing and analysis tools' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'spectrum processing' . 51026 2 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 51026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Telemark _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51026 _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 . . . . . . . . . . . . . . . . . 51026 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51026 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51026 1 4 '3D HNCOCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51026 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51026 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 51026 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . 51026 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 51026 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 2 '3D HNCO' . . . 51026 1 3 '3D HNCA' . . . 51026 1 4 '3D HNCOCA' . . . 51026 1 5 '3D HNCACO' . . . 51026 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51026 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 MET H H 1 8.173989697 0.007805071741 . . . . . . . 1 MET H . 51026 1 2 . 1 . 1 1 1 MET C C 13 174.9424836 0.001235555653 . . . . . . . 1 MET C . 51026 1 3 . 1 . 1 1 1 MET CA C 13 54.79426636 0.01680000347 . . . . . . . 1 MET CA . 51026 1 4 . 1 . 1 1 1 MET CB C 13 32.70100931 0.05350045372 . . . . . . . 1 MET CB . 51026 1 5 . 1 . 1 1 1 MET N N 15 121.0788916 0.01455800684 . . . . . . . 1 MET N . 51026 1 6 . 1 . 1 2 2 ASN H H 1 8.300750525 0.008659938042 . . . . . . . 2 ASN H . 51026 1 7 . 1 . 1 2 2 ASN C C 13 174.9315337 0 . . . . . . . 2 ASN C . 51026 1 8 . 1 . 1 2 2 ASN CA C 13 51.69896095 0 . . . . . . . 2 ASN CA . 51026 1 9 . 1 . 1 2 2 ASN CB C 13 38.55304932 0 . . . . . . . 2 ASN CB . 51026 1 10 . 1 . 1 2 2 ASN N N 15 122.6590433 0.04040541232 . . . . . . . 2 ASN N . 51026 1 11 . 1 . 1 3 3 PRO C C 13 177.8452919 0 . . . . . . . 3 PRO C . 51026 1 12 . 1 . 1 3 3 PRO CA C 13 64.52578418 0.02952836519 . . . . . . . 3 PRO CA . 51026 1 13 . 1 . 1 3 3 PRO CB C 13 31.31331645 0 . . . . . . . 3 PRO CB . 51026 1 14 . 1 . 1 4 4 TYR H H 1 8.432110878 0.01055014611 . . . . . . . 4 TYR H . 51026 1 15 . 1 . 1 4 4 TYR C C 13 178.18187 0.01971990558 . . . . . . . 4 TYR C . 51026 1 16 . 1 . 1 4 4 TYR CA C 13 61.85682634 0.02177159464 . . . . . . . 4 TYR CA . 51026 1 17 . 1 . 1 4 4 TYR CB C 13 36.44445751 0.08069060941 . . . . . . . 4 TYR CB . 51026 1 18 . 1 . 1 4 4 TYR N N 15 116.6327914 0.03514316742 . . . . . . . 4 TYR N . 51026 1 19 . 1 . 1 5 5 ILE H H 1 7.833633943 0.006936135523 . . . . . . . 5 ILE H . 51026 1 20 . 1 . 1 5 5 ILE C C 13 177.8990013 0.006906943952 . . . . . . . 5 ILE C . 51026 1 21 . 1 . 1 5 5 ILE CA C 13 64.32510261 0.009896190981 . . . . . . . 5 ILE CA . 51026 1 22 . 1 . 1 5 5 ILE CB C 13 35.93505921 0.001014753279 . . . . . . . 5 ILE CB . 51026 1 23 . 1 . 1 5 5 ILE N N 15 120.631499 0.06552464915 . . . . . . . 5 ILE N . 51026 1 24 . 1 . 1 6 6 TYR H H 1 6.788113806 0.009250929856 . . . . . . . 6 TYR H . 51026 1 25 . 1 . 1 6 6 TYR C C 13 177.9984216 0.01667076564 . . . . . . . 6 TYR C . 51026 1 26 . 1 . 1 6 6 TYR CA C 13 61.08889505 0.0245689576 . . . . . . . 6 TYR CA . 51026 1 27 . 1 . 1 6 6 TYR CB C 13 36.76251853 0.05298196759 . . . . . . . 6 TYR CB . 51026 1 28 . 1 . 1 6 6 TYR N N 15 118.4983733 0.05426752922 . . . . . . . 6 TYR N . 51026 1 29 . 1 . 1 7 7 LEU H H 1 7.716556293 0.006562490088 . . . . . . . 7 LEU H . 51026 1 30 . 1 . 1 7 7 LEU C C 13 177.8895324 0.02437214442 . . . . . . . 7 LEU C . 51026 1 31 . 1 . 1 7 7 LEU CA C 13 57.22676172 0.02230830987 . . . . . . . 7 LEU CA . 51026 1 32 . 1 . 1 7 7 LEU CB C 13 40.24368973 0.1513181961 . . . . . . . 7 LEU CB . 51026 1 33 . 1 . 1 7 7 LEU N N 15 118.7742639 0.04946926245 . . . . . . . 7 LEU N . 51026 1 34 . 1 . 1 8 8 GLY H H 1 8.424234568 0.005994601187 . . . . . . . 8 GLY H . 51026 1 35 . 1 . 1 8 8 GLY C C 13 174.9003107 0.03026779033 . . . . . . . 8 GLY C . 51026 1 36 . 1 . 1 8 8 GLY CA C 13 47.17394866 0.0276840188 . . . . . . . 8 GLY CA . 51026 1 37 . 1 . 1 8 8 GLY N N 15 105.2974519 0.04900836743 . . . . . . . 8 GLY N . 51026 1 38 . 1 . 1 9 9 GLY H H 1 8.365246116 0.007918540322 . . . . . . . 9 GLY H . 51026 1 39 . 1 . 1 9 9 GLY C C 13 173.5373656 0.01385985839 . . . . . . . 9 GLY C . 51026 1 40 . 1 . 1 9 9 GLY CA C 13 47.3430921 0.01823500467 . . . . . . . 9 GLY CA . 51026 1 41 . 1 . 1 9 9 GLY N N 15 107.5631867 0.04181371329 . . . . . . . 9 GLY N . 51026 1 42 . 1 . 1 10 10 ALA H H 1 8.408469127 0.006231610681 . . . . . . . 10 ALA H . 51026 1 43 . 1 . 1 10 10 ALA C C 13 180.3294576 0.015710406 . . . . . . . 10 ALA C . 51026 1 44 . 1 . 1 10 10 ALA CA C 13 55.25608633 0.03026279543 . . . . . . . 10 ALA CA . 51026 1 45 . 1 . 1 10 10 ALA CB C 13 17.22876633 0.06703590725 . . . . . . . 10 ALA CB . 51026 1 46 . 1 . 1 10 10 ALA N N 15 125.722513 0.054148373 . . . . . . . 10 ALA N . 51026 1 47 . 1 . 1 11 11 ILE H H 1 7.688621482 0.0100651141 . . . . . . . 11 ILE H . 51026 1 48 . 1 . 1 11 11 ILE C C 13 177.0798317 0.02995944889 . . . . . . . 11 ILE C . 51026 1 49 . 1 . 1 11 11 ILE CA C 13 64.08132602 0.005505066137 . . . . . . . 11 ILE CA . 51026 1 50 . 1 . 1 11 11 ILE CB C 13 37.28499208 0.0482503602 . . . . . . . 11 ILE CB . 51026 1 51 . 1 . 1 11 11 ILE N N 15 120.6278015 0.1077616793 . . . . . . . 11 ILE N . 51026 1 52 . 1 . 1 12 12 LEU H H 1 7.796288572 0.009781881432 . . . . . . . 12 LEU H . 51026 1 53 . 1 . 1 12 12 LEU C C 13 177.7797819 0.06303668833 . . . . . . . 12 LEU C . 51026 1 54 . 1 . 1 12 12 LEU CA C 13 57.37698558 0.02195063189 . . . . . . . 12 LEU CA . 51026 1 55 . 1 . 1 12 12 LEU CB C 13 40.74948245 0.03528373965 . . . . . . . 12 LEU CB . 51026 1 56 . 1 . 1 12 12 LEU N N 15 118.4805766 0.04347048228 . . . . . . . 12 LEU N . 51026 1 57 . 1 . 1 13 13 ALA H H 1 8.425401246 0.006277978474 . . . . . . . 13 ALA H . 51026 1 58 . 1 . 1 13 13 ALA C C 13 179.1452731 0.02235882518 . . . . . . . 13 ALA C . 51026 1 59 . 1 . 1 13 13 ALA CA C 13 55.24661895 0.008156480051 . . . . . . . 13 ALA CA . 51026 1 60 . 1 . 1 13 13 ALA CB C 13 16.54901096 0.0485368704 . . . . . . . 13 ALA CB . 51026 1 61 . 1 . 1 13 13 ALA N N 15 118.372168 0.0423936576 . . . . . . . 13 ALA N . 51026 1 62 . 1 . 1 14 14 GLU H H 1 7.655103963 0.008437191329 . . . . . . . 14 GLU H . 51026 1 63 . 1 . 1 14 14 GLU C C 13 177.3052341 0.004637163083 . . . . . . . 14 GLU C . 51026 1 64 . 1 . 1 14 14 GLU CA C 13 61.08786195 0.01339032268 . . . . . . . 14 GLU CA . 51026 1 65 . 1 . 1 14 14 GLU CB C 13 29.16379103 0.02986106625 . . . . . . . 14 GLU CB . 51026 1 66 . 1 . 1 14 14 GLU N N 15 119.2482149 0.06928383646 . . . . . . . 14 GLU N . 51026 1 67 . 1 . 1 15 15 VAL H H 1 8.701294017 0.006576862549 . . . . . . . 15 VAL H . 51026 1 68 . 1 . 1 15 15 VAL C C 13 180.4273852 0.02642858985 . . . . . . . 15 VAL C . 51026 1 69 . 1 . 1 15 15 VAL CA C 13 65.61925572 0.03581224539 . . . . . . . 15 VAL CA . 51026 1 70 . 1 . 1 15 15 VAL CB C 13 30.64287825 0.09264859928 . . . . . . . 15 VAL CB . 51026 1 71 . 1 . 1 15 15 VAL N N 15 117.2365703 0.07239685817 . . . . . . . 15 VAL N . 51026 1 72 . 1 . 1 16 16 ILE H H 1 8.449323342 0.007586292105 . . . . . . . 16 ILE H . 51026 1 73 . 1 . 1 16 16 ILE C C 13 177.8299257 0.02181036123 . . . . . . . 16 ILE C . 51026 1 74 . 1 . 1 16 16 ILE CA C 13 65.03985652 0.01677222172 . . . . . . . 16 ILE CA . 51026 1 75 . 1 . 1 16 16 ILE CB C 13 35.93594219 0.08097761954 . . . . . . . 16 ILE CB . 51026 1 76 . 1 . 1 16 16 ILE N N 15 122.7500482 0.04338475721 . . . . . . . 16 ILE N . 51026 1 77 . 1 . 1 17 17 GLY H H 1 8.518227641 0.005954398367 . . . . . . . 17 GLY H . 51026 1 78 . 1 . 1 17 17 GLY C C 13 175.3854103 0 . . . . . . . 17 GLY C . 51026 1 79 . 1 . 1 17 17 GLY CA C 13 48.03664479 0 . . . . . . . 17 GLY CA . 51026 1 80 . 1 . 1 17 17 GLY N N 15 111.1793766 0.04385623134 . . . . . . . 17 GLY N . 51026 1 81 . 1 . 1 18 18 THR C C 13 175.5801686 0 . . . . . . . 18 THR C . 51026 1 82 . 1 . 1 19 19 THR H H 1 7.923108859 0.006896969066 . . . . . . . 19 THR H . 51026 1 83 . 1 . 1 19 19 THR C C 13 177.4046885 0 . . . . . . . 19 THR C . 51026 1 84 . 1 . 1 19 19 THR CA C 13 67.61550276 0.01001829708 . . . . . . . 19 THR CA . 51026 1 85 . 1 . 1 19 19 THR N N 15 120.6086869 0.07307738408 . . . . . . . 19 THR N . 51026 1 86 . 1 . 1 20 20 LEU H H 1 8.569717363 0.00717912428 . . . . . . . 20 LEU H . 51026 1 87 . 1 . 1 20 20 LEU C C 13 178.4767417 0.0194497583 . . . . . . . 20 LEU C . 51026 1 88 . 1 . 1 20 20 LEU CA C 13 57.9444677 0.005302467578 . . . . . . . 20 LEU CA . 51026 1 89 . 1 . 1 20 20 LEU CB C 13 40.04869653 0 . . . . . . . 20 LEU CB . 51026 1 90 . 1 . 1 20 20 LEU N N 15 122.8295412 0.0353334049 . . . . . . . 20 LEU N . 51026 1 91 . 1 . 1 21 21 MET H H 1 8.3436001 0.007067510784 . . . . . . . 21 MET H . 51026 1 92 . 1 . 1 21 21 MET C C 13 181.4643351 0.008543698189 . . . . . . . 21 MET C . 51026 1 93 . 1 . 1 21 21 MET CA C 13 58.73948955 0.01958490999 . . . . . . . 21 MET CA . 51026 1 94 . 1 . 1 21 21 MET CB C 13 32.60193334 0.03151967164 . . . . . . . 21 MET CB . 51026 1 95 . 1 . 1 21 21 MET N N 15 121.195199 0.05012572987 . . . . . . . 21 MET N . 51026 1 96 . 1 . 1 22 22 LYS H H 1 7.613791361 0.008692243459 . . . . . . . 22 LYS H . 51026 1 97 . 1 . 1 22 22 LYS C C 13 178.5682647 0.01074575574 . . . . . . . 22 LYS C . 51026 1 98 . 1 . 1 22 22 LYS CA C 13 59.7958971 0.01585174769 . . . . . . . 22 LYS CA . 51026 1 99 . 1 . 1 22 22 LYS CB C 13 30.14222403 0.04680954407 . . . . . . . 22 LYS CB . 51026 1 100 . 1 . 1 22 22 LYS N N 15 125.2865315 0.04161227671 . . . . . . . 22 LYS N . 51026 1 101 . 1 . 1 23 23 PHE H H 1 7.336970414 0.006813080209 . . . . . . . 23 PHE H . 51026 1 102 . 1 . 1 23 23 PHE C C 13 176.2688975 0.005183627947 . . . . . . . 23 PHE C . 51026 1 103 . 1 . 1 23 23 PHE CA C 13 60.27444723 0.01318923237 . . . . . . . 23 PHE CA . 51026 1 104 . 1 . 1 23 23 PHE CB C 13 38.65555059 0 . . . . . . . 23 PHE CB . 51026 1 105 . 1 . 1 23 23 PHE N N 15 118.9927403 0.04799281337 . . . . . . . 23 PHE N . 51026 1 106 . 1 . 1 24 24 SER H H 1 7.951221321 0.006666443283 . . . . . . . 24 SER H . 51026 1 107 . 1 . 1 24 24 SER C C 13 173.4626441 0 . . . . . . . 24 SER C . 51026 1 108 . 1 . 1 24 24 SER CA C 13 60.32521225 0.01339348663 . . . . . . . 24 SER CA . 51026 1 109 . 1 . 1 24 24 SER CB C 13 63.59182915 0.02519769182 . . . . . . . 24 SER CB . 51026 1 110 . 1 . 1 24 24 SER N N 15 113.4254599 0.05160766972 . . . . . . . 24 SER N . 51026 1 111 . 1 . 1 25 25 GLU H H 1 7.652101344 0.006795417392 . . . . . . . 25 GLU H . 51026 1 112 . 1 . 1 25 25 GLU C C 13 177.8398601 0.008152823793 . . . . . . . 25 GLU C . 51026 1 113 . 1 . 1 25 25 GLU CA C 13 56.01107951 0.01672152547 . . . . . . . 25 GLU CA . 51026 1 114 . 1 . 1 25 25 GLU CB C 13 25.90439303 0.07421886272 . . . . . . . 25 GLU CB . 51026 1 115 . 1 . 1 25 25 GLU N N 15 121.2845148 0.04089652494 . . . . . . . 25 GLU N . 51026 1 116 . 1 . 1 26 26 GLY H H 1 9.200346744 0.007580493785 . . . . . . . 26 GLY H . 51026 1 117 . 1 . 1 26 26 GLY C C 13 174.8624274 0.007994435358 . . . . . . . 26 GLY C . 51026 1 118 . 1 . 1 26 26 GLY CA C 13 46.05811291 0.01900896294 . . . . . . . 26 GLY CA . 51026 1 119 . 1 . 1 26 26 GLY N N 15 111.8893861 0.05849293079 . . . . . . . 26 GLY N . 51026 1 120 . 1 . 1 27 27 PHE H H 1 7.968545039 0.006636642273 . . . . . . . 27 PHE H . 51026 1 121 . 1 . 1 27 27 PHE C C 13 173.6687227 0.02892021143 . . . . . . . 27 PHE C . 51026 1 122 . 1 . 1 27 27 PHE CA C 13 59.85338701 0.04054161649 . . . . . . . 27 PHE CA . 51026 1 123 . 1 . 1 27 27 PHE CB C 13 35.08311426 0 . . . . . . . 27 PHE CB . 51026 1 124 . 1 . 1 27 27 PHE N N 15 112.8981005 0.05322442032 . . . . . . . 27 PHE N . 51026 1 125 . 1 . 1 28 28 THR H H 1 7.528508023 0.01479527202 . . . . . . . 28 THR H . 51026 1 126 . 1 . 1 28 28 THR C C 13 175.0029265 0.02849168295 . . . . . . . 28 THR C . 51026 1 127 . 1 . 1 28 28 THR CA C 13 62.03533833 0.02180264031 . . . . . . . 28 THR CA . 51026 1 128 . 1 . 1 28 28 THR CB C 13 70.37959336 0.06864207153 . . . . . . . 28 THR CB . 51026 1 129 . 1 . 1 28 28 THR N N 15 102.4697232 0.06950548805 . . . . . . . 28 THR N . 51026 1 130 . 1 . 1 29 29 ARG H H 1 7.477456752 0.006345242149 . . . . . . . 29 ARG H . 51026 1 131 . 1 . 1 29 29 ARG C C 13 178.1146037 0.02696170001 . . . . . . . 29 ARG C . 51026 1 132 . 1 . 1 29 29 ARG CA C 13 54.08691046 0.01219106851 . . . . . . . 29 ARG CA . 51026 1 133 . 1 . 1 29 29 ARG CB C 13 30.44873552 0.03205518643 . . . . . . . 29 ARG CB . 51026 1 134 . 1 . 1 29 29 ARG N N 15 119.9364553 0.07365192808 . . . . . . . 29 ARG N . 51026 1 135 . 1 . 1 30 30 LEU H H 1 9.041552728 0.00711258709 . . . . . . . 30 LEU H . 51026 1 136 . 1 . 1 30 30 LEU C C 13 177.3415694 0.0106166796 . . . . . . . 30 LEU C . 51026 1 137 . 1 . 1 30 30 LEU CA C 13 59.79992199 0.03350035796 . . . . . . . 30 LEU CA . 51026 1 138 . 1 . 1 30 30 LEU CB C 13 41.17805934 0.04211528399 . . . . . . . 30 LEU CB . 51026 1 139 . 1 . 1 30 30 LEU N N 15 130.925141 0.04134518399 . . . . . . . 30 LEU N . 51026 1 140 . 1 . 1 31 31 TRP H H 1 9.255066075 0.007277621776 . . . . . . . 31 TRP H . 51026 1 141 . 1 . 1 31 31 TRP C C 13 177.0782174 0 . . . . . . . 31 TRP C . 51026 1 142 . 1 . 1 31 31 TRP CA C 13 61.71301709 0.01965446504 . . . . . . . 31 TRP CA . 51026 1 143 . 1 . 1 31 31 TRP CB C 13 26.21285096 0 . . . . . . . 31 TRP CB . 51026 1 144 . 1 . 1 31 31 TRP N N 15 118.9136364 0.04181325439 . . . . . . . 31 TRP N . 51026 1 145 . 1 . 1 32 32 PRO C C 13 178.4399601 0 . . . . . . . 32 PRO C . 51026 1 146 . 1 . 1 32 32 PRO CA C 13 65.3680115 0.01039580802 . . . . . . . 32 PRO CA . 51026 1 147 . 1 . 1 32 32 PRO CB C 13 30.59430589 0 . . . . . . . 32 PRO CB . 51026 1 148 . 1 . 1 33 33 SER H H 1 7.197704681 0.009408645681 . . . . . . . 33 SER H . 51026 1 149 . 1 . 1 33 33 SER C C 13 175.3846132 0 . . . . . . . 33 SER C . 51026 1 150 . 1 . 1 33 33 SER CA C 13 63.74718454 0.04657396386 . . . . . . . 33 SER CA . 51026 1 151 . 1 . 1 33 33 SER CB C 13 61.9432779 0.07843811109 . . . . . . . 33 SER CB . 51026 1 152 . 1 . 1 33 33 SER N N 15 113.7334053 0.05106160318 . . . . . . . 33 SER N . 51026 1 153 . 1 . 1 34 34 VAL H H 1 8.383952449 0.008089687679 . . . . . . . 34 VAL H . 51026 1 154 . 1 . 1 34 34 VAL C C 13 178.1945438 0.01762548714 . . . . . . . 34 VAL C . 51026 1 155 . 1 . 1 34 34 VAL CA C 13 66.54007016 0.02376232517 . . . . . . . 34 VAL CA . 51026 1 156 . 1 . 1 34 34 VAL CB C 13 30.74066687 0.0493965965 . . . . . . . 34 VAL CB . 51026 1 157 . 1 . 1 34 34 VAL N N 15 121.9791772 0.02148325192 . . . . . . . 34 VAL N . 51026 1 158 . 1 . 1 35 35 GLY H H 1 8.706330146 0.006550296182 . . . . . . . 35 GLY H . 51026 1 159 . 1 . 1 35 35 GLY C C 13 174.7302285 0.02333807002 . . . . . . . 35 GLY C . 51026 1 160 . 1 . 1 35 35 GLY CA C 13 47.97733173 0.01720580889 . . . . . . . 35 GLY CA . 51026 1 161 . 1 . 1 35 35 GLY N N 15 106.1621484 0.07004804961 . . . . . . . 35 GLY N . 51026 1 162 . 1 . 1 36 36 THR H H 1 8.511204192 0.007052227197 . . . . . . . 36 THR H . 51026 1 163 . 1 . 1 36 36 THR CA C 13 68.88114541 0.0574111617 . . . . . . . 36 THR CA . 51026 1 164 . 1 . 1 36 36 THR N N 15 121.6552751 0.08171919787 . . . . . . . 36 THR N . 51026 1 165 . 1 . 1 37 37 ILE H H 1 7.618386226 0.00625794132 . . . . . . . 37 ILE H . 51026 1 166 . 1 . 1 37 37 ILE C C 13 177.1649386 1.456652274 . . . . . . . 37 ILE C . 51026 1 167 . 1 . 1 37 37 ILE CA C 13 65.68380034 0.008706106102 . . . . . . . 37 ILE CA . 51026 1 168 . 1 . 1 37 37 ILE CB C 13 37.26156742 0.02476115705 . . . . . . . 37 ILE CB . 51026 1 169 . 1 . 1 37 37 ILE N N 15 119.3576367 0.04789170097 . . . . . . . 37 ILE N . 51026 1 170 . 1 . 1 38 38 ILE H H 1 8.538518039 0.00899965768 . . . . . . . 38 ILE H . 51026 1 171 . 1 . 1 38 38 ILE C C 13 177.871449 0.004757189418 . . . . . . . 38 ILE C . 51026 1 172 . 1 . 1 38 38 ILE CA C 13 65.70729124 0.01141964734 . . . . . . . 38 ILE CA . 51026 1 173 . 1 . 1 38 38 ILE CB C 13 36.68971071 0.05999299715 . . . . . . . 38 ILE CB . 51026 1 174 . 1 . 1 38 38 ILE N N 15 119.7767447 0.02434776454 . . . . . . . 38 ILE N . 51026 1 175 . 1 . 1 39 39 CYS H H 1 8.302116324 0.006074461416 . . . . . . . 39 CYS H . 51026 1 176 . 1 . 1 39 39 CYS C C 13 177.565334 0.02101553077 . . . . . . . 39 CYS C . 51026 1 177 . 1 . 1 39 39 CYS CA C 13 65.26548415 0.05202326802 . . . . . . . 39 CYS CA . 51026 1 178 . 1 . 1 39 39 CYS CB C 13 25.9681455 0.09152771292 . . . . . . . 39 CYS CB . 51026 1 179 . 1 . 1 39 39 CYS N N 15 117.6803052 0.06441499383 . . . . . . . 39 CYS N . 51026 1 180 . 1 . 1 40 40 TYR H H 1 8.972499911 0.007256388508 . . . . . . . 40 TYR H . 51026 1 181 . 1 . 1 40 40 TYR C C 13 178.7444235 0.02155099344 . . . . . . . 40 TYR C . 51026 1 182 . 1 . 1 40 40 TYR CA C 13 58.2497545 0.04583274624 . . . . . . . 40 TYR CA . 51026 1 183 . 1 . 1 40 40 TYR CB C 13 35.01726381 0 . . . . . . . 40 TYR CB . 51026 1 184 . 1 . 1 40 40 TYR N N 15 119.478405 0.04874027461 . . . . . . . 40 TYR N . 51026 1 185 . 1 . 1 41 41 CYS H H 1 8.740802308 0.004164350585 . . . . . . . 41 CYS H . 51026 1 186 . 1 . 1 41 41 CYS C C 13 176.5210818 0.009367740432 . . . . . . . 41 CYS C . 51026 1 187 . 1 . 1 41 41 CYS CA C 13 65.41085104 0.02379749705 . . . . . . . 41 CYS CA . 51026 1 188 . 1 . 1 41 41 CYS CB C 13 26.31111214 0.04724327692 . . . . . . . 41 CYS CB . 51026 1 189 . 1 . 1 41 41 CYS N N 15 118.9399392 0.06013831245 . . . . . . . 41 CYS N . 51026 1 190 . 1 . 1 42 42 ALA H H 1 8.425646222 0.006426867682 . . . . . . . 42 ALA H . 51026 1 191 . 1 . 1 42 42 ALA C C 13 178.4607928 0.03173896039 . . . . . . . 42 ALA C . 51026 1 192 . 1 . 1 42 42 ALA CA C 13 55.13035648 0.009406539004 . . . . . . . 42 ALA CA . 51026 1 193 . 1 . 1 42 42 ALA CB C 13 16.82946773 0.07835676407 . . . . . . . 42 ALA CB . 51026 1 194 . 1 . 1 42 42 ALA N N 15 120.6601809 0.0661902917 . . . . . . . 42 ALA N . 51026 1 195 . 1 . 1 43 43 SER H H 1 8.524044218 0.006904600685 . . . . . . . 43 SER H . 51026 1 196 . 1 . 1 43 43 SER C C 13 177.4632994 0 . . . . . . . 43 SER C . 51026 1 197 . 1 . 1 43 43 SER CA C 13 62.67984533 0.01112539574 . . . . . . . 43 SER CA . 51026 1 198 . 1 . 1 43 43 SER N N 15 111.4699115 0.04764781839 . . . . . . . 43 SER N . 51026 1 199 . 1 . 1 44 44 PHE H H 1 8.628749891 0.01095561341 . . . . . . . 44 PHE H . 51026 1 200 . 1 . 1 44 44 PHE C C 13 177.6834703 0.0158106984 . . . . . . . 44 PHE C . 51026 1 201 . 1 . 1 44 44 PHE CA C 13 62.5985499 0.02150754117 . . . . . . . 44 PHE CA . 51026 1 202 . 1 . 1 44 44 PHE CB C 13 38.63982717 0.03110643073 . . . . . . . 44 PHE CB . 51026 1 203 . 1 . 1 44 44 PHE N N 15 115.6749358 0.06207370712 . . . . . . . 44 PHE N . 51026 1 204 . 1 . 1 45 45 TRP H H 1 8.418636486 0.009799171278 . . . . . . . 45 TRP H . 51026 1 205 . 1 . 1 45 45 TRP C C 13 178.3567073 0.005962042638 . . . . . . . 45 TRP C . 51026 1 206 . 1 . 1 45 45 TRP CA C 13 62.35483266 0.03375804669 . . . . . . . 45 TRP CA . 51026 1 207 . 1 . 1 45 45 TRP CB C 13 28.35428351 0.03138525074 . . . . . . . 45 TRP CB . 51026 1 208 . 1 . 1 45 45 TRP N N 15 120.9908585 0.08937556693 . . . . . . . 45 TRP N . 51026 1 209 . 1 . 1 46 46 LEU H H 1 8.688971291 0.005080586633 . . . . . . . 46 LEU H . 51026 1 210 . 1 . 1 46 46 LEU C C 13 179.567564 0.04480103651 . . . . . . . 46 LEU C . 51026 1 211 . 1 . 1 46 46 LEU CA C 13 58.06699347 0.02023519708 . . . . . . . 46 LEU CA . 51026 1 212 . 1 . 1 46 46 LEU CB C 13 40.84095042 0.06811449597 . . . . . . . 46 LEU CB . 51026 1 213 . 1 . 1 46 46 LEU N N 15 119.7067703 0.05983405183 . . . . . . . 46 LEU N . 51026 1 214 . 1 . 1 47 47 LEU H H 1 8.827894656 0.007905908308 . . . . . . . 47 LEU H . 51026 1 215 . 1 . 1 47 47 LEU C C 13 179.4620106 0.02233380836 . . . . . . . 47 LEU C . 51026 1 216 . 1 . 1 47 47 LEU CA C 13 57.41830386 0.02575063081 . . . . . . . 47 LEU CA . 51026 1 217 . 1 . 1 47 47 LEU CB C 13 40.72969495 0.007076892092 . . . . . . . 47 LEU CB . 51026 1 218 . 1 . 1 47 47 LEU N N 15 121.1090614 0.07816658664 . . . . . . . 47 LEU N . 51026 1 219 . 1 . 1 48 48 ALA H H 1 8.382218497 0.007975295618 . . . . . . . 48 ALA H . 51026 1 220 . 1 . 1 48 48 ALA C C 13 178.871444 0.01735413373 . . . . . . . 48 ALA C . 51026 1 221 . 1 . 1 48 48 ALA CA C 13 54.63234964 0.04814260355 . . . . . . . 48 ALA CA . 51026 1 222 . 1 . 1 48 48 ALA CB C 13 16.52097426 0.1115237804 . . . . . . . 48 ALA CB . 51026 1 223 . 1 . 1 48 48 ALA N N 15 122.8066407 0.03809446462 . . . . . . . 48 ALA N . 51026 1 224 . 1 . 1 49 49 GLN H H 1 7.151552858 0.0062899371 . . . . . . . 49 GLN H . 51026 1 225 . 1 . 1 49 49 GLN C C 13 177.3917873 0.02595821999 . . . . . . . 49 GLN C . 51026 1 226 . 1 . 1 49 49 GLN CA C 13 55.81293022 0.02357350581 . . . . . . . 49 GLN CA . 51026 1 227 . 1 . 1 49 49 GLN CB C 13 26.46851383 0 . . . . . . . 49 GLN CB . 51026 1 228 . 1 . 1 49 49 GLN N N 15 113.3872333 0.05484215647 . . . . . . . 49 GLN N . 51026 1 229 . 1 . 1 50 50 THR H H 1 7.855140994 0.008009539351 . . . . . . . 50 THR H . 51026 1 230 . 1 . 1 50 50 THR C C 13 176.7844305 0 . . . . . . . 50 THR C . 51026 1 231 . 1 . 1 50 50 THR CA C 13 64.2020661 0.03210825503 . . . . . . . 50 THR CA . 51026 1 232 . 1 . 1 50 50 THR CB C 13 69.79643436 0 . . . . . . . 50 THR CB . 51026 1 233 . 1 . 1 50 50 THR N N 15 109.5682401 0.08429273042 . . . . . . . 50 THR N . 51026 1 234 . 1 . 1 51 51 LEU H H 1 7.210107436 0.01110609186 . . . . . . . 51 LEU H . 51026 1 235 . 1 . 1 51 51 LEU C C 13 177.5482036 0.01620876337 . . . . . . . 51 LEU C . 51026 1 236 . 1 . 1 51 51 LEU CA C 13 56.8140531 0.01338075522 . . . . . . . 51 LEU CA . 51026 1 237 . 1 . 1 51 51 LEU CB C 13 40.27268206 0.02003471056 . . . . . . . 51 LEU CB . 51026 1 238 . 1 . 1 51 51 LEU N N 15 121.614575 0.06526688796 . . . . . . . 51 LEU N . 51026 1 239 . 1 . 1 52 52 ALA H H 1 7.764815623 0.009509923909 . . . . . . . 52 ALA H . 51026 1 240 . 1 . 1 52 52 ALA C C 13 177.4713743 0.01594413314 . . . . . . . 52 ALA C . 51026 1 241 . 1 . 1 52 52 ALA CA C 13 52.90201352 0.05391998025 . . . . . . . 52 ALA CA . 51026 1 242 . 1 . 1 52 52 ALA CB C 13 17.22208888 0.1001653188 . . . . . . . 52 ALA CB . 51026 1 243 . 1 . 1 52 52 ALA N N 15 118.5146248 0.03422959207 . . . . . . . 52 ALA N . 51026 1 244 . 1 . 1 53 53 TYR H H 1 7.634009825 0.008224938113 . . . . . . . 53 TYR H . 51026 1 245 . 1 . 1 53 53 TYR C C 13 175.2497311 0.04237093301 . . . . . . . 53 TYR C . 51026 1 246 . 1 . 1 53 53 TYR CA C 13 58.31789888 0.01826402271 . . . . . . . 53 TYR CA . 51026 1 247 . 1 . 1 53 53 TYR CB C 13 41.83254993 0.03576723884 . . . . . . . 53 TYR CB . 51026 1 248 . 1 . 1 53 53 TYR N N 15 113.7839559 0.05707455229 . . . . . . . 53 TYR N . 51026 1 249 . 1 . 1 54 54 ILE H H 1 7.845809454 0.008394733665 . . . . . . . 54 ILE H . 51026 1 250 . 1 . 1 54 54 ILE C C 13 173.235971 0 . . . . . . . 54 ILE C . 51026 1 251 . 1 . 1 54 54 ILE CA C 13 57.71210131 0 . . . . . . . 54 ILE CA . 51026 1 252 . 1 . 1 54 54 ILE CB C 13 39.90006953 0 . . . . . . . 54 ILE CB . 51026 1 253 . 1 . 1 54 54 ILE N N 15 119.7065593 0.05192916197 . . . . . . . 54 ILE N . 51026 1 254 . 1 . 1 55 55 PRO C C 13 177.8671783 0.02085297203 . . . . . . . 55 PRO C . 51026 1 255 . 1 . 1 55 55 PRO CA C 13 62.52946619 0.01483260449 . . . . . . . 55 PRO CA . 51026 1 256 . 1 . 1 55 55 PRO CB C 13 32.16741534 0.06643418351 . . . . . . . 55 PRO CB . 51026 1 257 . 1 . 1 56 56 THR H H 1 8.467506828 0.006437067705 . . . . . . . 56 THR H . 51026 1 258 . 1 . 1 56 56 THR C C 13 176.5151064 0 . . . . . . . 56 THR C . 51026 1 259 . 1 . 1 56 56 THR CA C 13 66.12202608 0.0363691389 . . . . . . . 56 THR CA . 51026 1 260 . 1 . 1 56 56 THR CB C 13 68.03487728 0.08019686841 . . . . . . . 56 THR CB . 51026 1 261 . 1 . 1 56 56 THR N N 15 119.3921739 0.04221690712 . . . . . . . 56 THR N . 51026 1 262 . 1 . 1 57 57 GLY H H 1 9.015034802 0.006784067965 . . . . . . . 57 GLY H . 51026 1 263 . 1 . 1 57 57 GLY C C 13 176.2856473 0.03722014632 . . . . . . . 57 GLY C . 51026 1 264 . 1 . 1 57 57 GLY CA C 13 46.9767105 0.02347260431 . . . . . . . 57 GLY CA . 51026 1 265 . 1 . 1 57 57 GLY N N 15 108.6964636 0.04042201203 . . . . . . . 57 GLY N . 51026 1 266 . 1 . 1 58 58 ILE H H 1 6.901285112 0.007229442329 . . . . . . . 58 ILE H . 51026 1 267 . 1 . 1 58 58 ILE C C 13 177.2629865 0.01742040294 . . . . . . . 58 ILE C . 51026 1 268 . 1 . 1 58 58 ILE CA C 13 64.05923049 0.0007712908469 . . . . . . . 58 ILE CA . 51026 1 269 . 1 . 1 58 58 ILE CB C 13 36.63853647 0.1315351294 . . . . . . . 58 ILE CB . 51026 1 270 . 1 . 1 58 58 ILE N N 15 120.6196226 0.03836071396 . . . . . . . 58 ILE N . 51026 1 271 . 1 . 1 59 59 ALA H H 1 7.964273343 0.006385707345 . . . . . . . 59 ALA H . 51026 1 272 . 1 . 1 59 59 ALA C C 13 179.2630135 0.01531292788 . . . . . . . 59 ALA C . 51026 1 273 . 1 . 1 59 59 ALA CA C 13 55.3231441 0.01309165438 . . . . . . . 59 ALA CA . 51026 1 274 . 1 . 1 59 59 ALA CB C 13 17.31705371 0.01072310238 . . . . . . . 59 ALA CB . 51026 1 275 . 1 . 1 59 59 ALA N N 15 121.1505683 0.05747572956 . . . . . . . 59 ALA N . 51026 1 276 . 1 . 1 60 60 TYR H H 1 8.715129564 0.008147878707 . . . . . . . 60 TYR H . 51026 1 277 . 1 . 1 60 60 TYR C C 13 177.153461 0.005906414481 . . . . . . . 60 TYR C . 51026 1 278 . 1 . 1 60 60 TYR CA C 13 61.101402 0.01779697083 . . . . . . . 60 TYR CA . 51026 1 279 . 1 . 1 60 60 TYR CB C 13 38.04905891 0.004771586693 . . . . . . . 60 TYR CB . 51026 1 280 . 1 . 1 60 60 TYR N N 15 116.6287074 0.05673398587 . . . . . . . 60 TYR N . 51026 1 281 . 1 . 1 61 61 ALA H H 1 7.860044148 0.006602970513 . . . . . . . 61 ALA H . 51026 1 282 . 1 . 1 61 61 ALA C C 13 179.1782753 0.04559535011 . . . . . . . 61 ALA C . 51026 1 283 . 1 . 1 61 61 ALA CA C 13 55.10355456 0.03207577395 . . . . . . . 61 ALA CA . 51026 1 284 . 1 . 1 61 61 ALA CB C 13 18.14520325 0.04736935798 . . . . . . . 61 ALA CB . 51026 1 285 . 1 . 1 61 61 ALA N N 15 119.5544088 0.05406638683 . . . . . . . 61 ALA N . 51026 1 286 . 1 . 1 62 62 ILE H H 1 8.124724968 0.007029259919 . . . . . . . 62 ILE H . 51026 1 287 . 1 . 1 62 62 ILE C C 13 176.521865 0.03726968277 . . . . . . . 62 ILE C . 51026 1 288 . 1 . 1 62 62 ILE CA C 13 65.17034435 0.02441319596 . . . . . . . 62 ILE CA . 51026 1 289 . 1 . 1 62 62 ILE CB C 13 37.32583974 0.009979610305 . . . . . . . 62 ILE CB . 51026 1 290 . 1 . 1 62 62 ILE N N 15 115.9457018 0.05917155798 . . . . . . . 62 ILE N . 51026 1 291 . 1 . 1 63 63 TRP H H 1 8.277570199 0.00788564503 . . . . . . . 63 TRP H . 51026 1 292 . 1 . 1 63 63 TRP C C 13 179.9484687 0.02349618933 . . . . . . . 63 TRP C . 51026 1 293 . 1 . 1 63 63 TRP CA C 13 59.68067583 0.01059073758 . . . . . . . 63 TRP CA . 51026 1 294 . 1 . 1 63 63 TRP CB C 13 27.59989067 0 . . . . . . . 63 TRP CB . 51026 1 295 . 1 . 1 63 63 TRP N N 15 121.3373271 0.05224729439 . . . . . . . 63 TRP N . 51026 1 296 . 1 . 1 64 64 VAL H H 1 8.531751154 0.006136729913 . . . . . . . 64 VAL H . 51026 1 297 . 1 . 1 64 64 VAL C C 13 177.3454122 0 . . . . . . . 64 VAL C . 51026 1 298 . 1 . 1 64 64 VAL CA C 13 67.34035823 0.02325713671 . . . . . . . 64 VAL CA . 51026 1 299 . 1 . 1 64 64 VAL CB C 13 30.95897905 0.04141362538 . . . . . . . 64 VAL CB . 51026 1 300 . 1 . 1 64 64 VAL N N 15 116.3452325 0.07794634999 . . . . . . . 64 VAL N . 51026 1 301 . 1 . 1 65 65 GLY H H 1 7.948932325 0.007701037128 . . . . . . . 65 GLY H . 51026 1 302 . 1 . 1 65 65 GLY C C 13 173.5123978 0.02331599889 . . . . . . . 65 GLY C . 51026 1 303 . 1 . 1 65 65 GLY CA C 13 47.73817016 0.01837877717 . . . . . . . 65 GLY CA . 51026 1 304 . 1 . 1 65 65 GLY N N 15 104.5588247 0.02906906481 . . . . . . . 65 GLY N . 51026 1 305 . 1 . 1 66 66 VAL H H 1 8.570646239 0.007649962892 . . . . . . . 66 VAL H . 51026 1 306 . 1 . 1 66 66 VAL C C 13 178.1205032 0.01490741986 . . . . . . . 66 VAL C . 51026 1 307 . 1 . 1 66 66 VAL CA C 13 65.70011197 0.01016816626 . . . . . . . 66 VAL CA . 51026 1 308 . 1 . 1 66 66 VAL CB C 13 30.98653313 0 . . . . . . . 66 VAL CB . 51026 1 309 . 1 . 1 66 66 VAL N N 15 117.4330819 0.05175439145 . . . . . . . 66 VAL N . 51026 1 310 . 1 . 1 67 67 GLY H H 1 9.018547428 0.006231990454 . . . . . . . 67 GLY H . 51026 1 311 . 1 . 1 67 67 GLY C C 13 175.7686858 0.08576021391 . . . . . . . 67 GLY C . 51026 1 312 . 1 . 1 67 67 GLY CA C 13 47.05314682 0.02366416534 . . . . . . . 67 GLY CA . 51026 1 313 . 1 . 1 67 67 GLY N N 15 110.4191757 0.108717905 . . . . . . . 67 GLY N . 51026 1 314 . 1 . 1 68 68 ILE H H 1 8.568132567 0.007489009896 . . . . . . . 68 ILE H . 51026 1 315 . 1 . 1 68 68 ILE C C 13 178.8005912 0.0246990507 . . . . . . . 68 ILE C . 51026 1 316 . 1 . 1 68 68 ILE CA C 13 65.88296075 0.007414477791 . . . . . . . 68 ILE CA . 51026 1 317 . 1 . 1 68 68 ILE CB C 13 36.917932 0.09245272631 . . . . . . . 68 ILE CB . 51026 1 318 . 1 . 1 68 68 ILE N N 15 119.4816468 0.06819394781 . . . . . . . 68 ILE N . 51026 1 319 . 1 . 1 69 69 VAL H H 1 7.189356071 0.006783646855 . . . . . . . 69 VAL H . 51026 1 320 . 1 . 1 69 69 VAL C C 13 177.4837598 0.0318437723 . . . . . . . 69 VAL C . 51026 1 321 . 1 . 1 69 69 VAL CA C 13 66.68544129 0.01861953533 . . . . . . . 69 VAL CA . 51026 1 322 . 1 . 1 69 69 VAL CB C 13 30.86306236 0.03272036127 . . . . . . . 69 VAL CB . 51026 1 323 . 1 . 1 69 69 VAL N N 15 120.1209919 0.05114481358 . . . . . . . 69 VAL N . 51026 1 324 . 1 . 1 70 70 LEU H H 1 8.811737485 0.005967923286 . . . . . . . 70 LEU H . 51026 1 325 . 1 . 1 70 70 LEU C C 13 179.3247376 0.03777955646 . . . . . . . 70 LEU C . 51026 1 326 . 1 . 1 70 70 LEU CA C 13 57.99780306 0.03034158631 . . . . . . . 70 LEU CA . 51026 1 327 . 1 . 1 70 70 LEU CB C 13 41.43806684 0.02984497594 . . . . . . . 70 LEU CB . 51026 1 328 . 1 . 1 70 70 LEU N N 15 118.3177945 0.04331475474 . . . . . . . 70 LEU N . 51026 1 329 . 1 . 1 71 71 ILE H H 1 9.393672245 0.007135990644 . . . . . . . 71 ILE H . 51026 1 330 . 1 . 1 71 71 ILE C C 13 179.6820644 0.03382307634 . . . . . . . 71 ILE C . 51026 1 331 . 1 . 1 71 71 ILE CA C 13 62.29536428 0.06030638049 . . . . . . . 71 ILE CA . 51026 1 332 . 1 . 1 71 71 ILE CB C 13 35.345856 0.04888110401 . . . . . . . 71 ILE CB . 51026 1 333 . 1 . 1 71 71 ILE N N 15 119.5109516 0.04710316972 . . . . . . . 71 ILE N . 51026 1 334 . 1 . 1 72 72 SER H H 1 7.546530359 0.007853541308 . . . . . . . 72 SER H . 51026 1 335 . 1 . 1 72 72 SER C C 13 177.0363412 0 . . . . . . . 72 SER C . 51026 1 336 . 1 . 1 72 72 SER CA C 13 63.00093168 0.01056882862 . . . . . . . 72 SER CA . 51026 1 337 . 1 . 1 72 72 SER CB C 13 61.9601564 0.150222487 . . . . . . . 72 SER CB . 51026 1 338 . 1 . 1 72 72 SER N N 15 120.2035523 0.03519165802 . . . . . . . 72 SER N . 51026 1 339 . 1 . 1 73 73 LEU H H 1 8.378664096 0.00707271668 . . . . . . . 73 LEU H . 51026 1 340 . 1 . 1 73 73 LEU C C 13 178.8129497 0.006144262735 . . . . . . . 73 LEU C . 51026 1 341 . 1 . 1 73 73 LEU CA C 13 58.20654144 0.01378282093 . . . . . . . 73 LEU CA . 51026 1 342 . 1 . 1 73 73 LEU CB C 13 41.44793583 0.006581483568 . . . . . . . 73 LEU CB . 51026 1 343 . 1 . 1 73 73 LEU N N 15 124.4265432 0.05682406793 . . . . . . . 73 LEU N . 51026 1 344 . 1 . 1 74 74 LEU H H 1 8.73473904 0.005967176435 . . . . . . . 74 LEU H . 51026 1 345 . 1 . 1 74 74 LEU C C 13 178.9937311 0.03890544571 . . . . . . . 74 LEU C . 51026 1 346 . 1 . 1 74 74 LEU CA C 13 58.15113985 0.01544817355 . . . . . . . 74 LEU CA . 51026 1 347 . 1 . 1 74 74 LEU CB C 13 40.76184074 0.0002127532836 . . . . . . . 74 LEU CB . 51026 1 348 . 1 . 1 74 74 LEU N N 15 118.9015023 0.01273458452 . . . . . . . 74 LEU N . 51026 1 349 . 1 . 1 75 75 SER H H 1 8.15988539 0.007058525347 . . . . . . . 75 SER H . 51026 1 350 . 1 . 1 75 75 SER C C 13 177.3795649 0 . . . . . . . 75 SER C . 51026 1 351 . 1 . 1 75 75 SER CA C 13 62.62200268 0.01486754544 . . . . . . . 75 SER CA . 51026 1 352 . 1 . 1 75 75 SER CB C 13 63.43419466 0 . . . . . . . 75 SER CB . 51026 1 353 . 1 . 1 75 75 SER N N 15 115.0399781 0.04342722174 . . . . . . . 75 SER N . 51026 1 354 . 1 . 1 76 76 TRP H H 1 7.966618006 0.006573414964 . . . . . . . 76 TRP H . 51026 1 355 . 1 . 1 76 76 TRP C C 13 177.9398562 0.02135608813 . . . . . . . 76 TRP C . 51026 1 356 . 1 . 1 76 76 TRP CA C 13 59.65863684 0.01818538125 . . . . . . . 76 TRP CA . 51026 1 357 . 1 . 1 76 76 TRP CB C 13 28.08702035 0.01013420366 . . . . . . . 76 TRP CB . 51026 1 358 . 1 . 1 76 76 TRP N N 15 126.3789729 0.05151350438 . . . . . . . 76 TRP N . 51026 1 359 . 1 . 1 77 77 GLY H H 1 8.272002435 0.005951863935 . . . . . . . 77 GLY H . 51026 1 360 . 1 . 1 77 77 GLY C C 13 173.6889746 0.0202293539 . . . . . . . 77 GLY C . 51026 1 361 . 1 . 1 77 77 GLY CA C 13 47.02100954 0.03973788242 . . . . . . . 77 GLY CA . 51026 1 362 . 1 . 1 77 77 GLY N N 15 104.5996453 0.04181973879 . . . . . . . 77 GLY N . 51026 1 363 . 1 . 1 78 78 PHE H H 1 8.350400961 0.006860507115 . . . . . . . 78 PHE H . 51026 1 364 . 1 . 1 78 78 PHE C C 13 176.8075679 0.0111451308 . . . . . . . 78 PHE C . 51026 1 365 . 1 . 1 78 78 PHE CA C 13 59.54868438 0.02144572567 . . . . . . . 78 PHE CA . 51026 1 366 . 1 . 1 78 78 PHE CB C 13 37.73493475 0.009673571654 . . . . . . . 78 PHE CB . 51026 1 367 . 1 . 1 78 78 PHE N N 15 113.715927 0.04973126294 . . . . . . . 78 PHE N . 51026 1 368 . 1 . 1 79 79 PHE H H 1 6.848380073 0.006001959001 . . . . . . . 79 PHE H . 51026 1 369 . 1 . 1 79 79 PHE C C 13 176.4304301 0.02567193921 . . . . . . . 79 PHE C . 51026 1 370 . 1 . 1 79 79 PHE CA C 13 55.23015515 0.03181369746 . . . . . . . 79 PHE CA . 51026 1 371 . 1 . 1 79 79 PHE CB C 13 39.36656833 0.02656249792 . . . . . . . 79 PHE CB . 51026 1 372 . 1 . 1 79 79 PHE N N 15 113.215067 0.9353729036 . . . . . . . 79 PHE N . 51026 1 373 . 1 . 1 80 80 GLY H H 1 7.494491643 0.008069292999 . . . . . . . 80 GLY H . 51026 1 374 . 1 . 1 80 80 GLY C C 13 174.871056 0.01979769263 . . . . . . . 80 GLY C . 51026 1 375 . 1 . 1 80 80 GLY CA C 13 46.27048531 0.02714777692 . . . . . . . 80 GLY CA . 51026 1 376 . 1 . 1 80 80 GLY N N 15 109.6772609 0.05449454838 . . . . . . . 80 GLY N . 51026 1 377 . 1 . 1 81 81 GLN H H 1 7.366216551 0.007423960402 . . . . . . . 81 GLN H . 51026 1 378 . 1 . 1 81 81 GLN C C 13 174.323799 0.007316623167 . . . . . . . 81 GLN C . 51026 1 379 . 1 . 1 81 81 GLN CA C 13 55.94337935 0.006389454868 . . . . . . . 81 GLN CA . 51026 1 380 . 1 . 1 81 81 GLN CB C 13 26.22493061 0.05175740634 . . . . . . . 81 GLN CB . 51026 1 381 . 1 . 1 81 81 GLN N N 15 118.8483488 0.03941739626 . . . . . . . 81 GLN N . 51026 1 382 . 1 . 1 82 82 ARG H H 1 8.026429396 0.007572926235 . . . . . . . 82 ARG H . 51026 1 383 . 1 . 1 82 82 ARG C C 13 175.3214872 0.01730115657 . . . . . . . 82 ARG C . 51026 1 384 . 1 . 1 82 82 ARG CA C 13 55.08333303 0.01176866308 . . . . . . . 82 ARG CA . 51026 1 385 . 1 . 1 82 82 ARG CB C 13 30.3299458 0.04191370075 . . . . . . . 82 ARG CB . 51026 1 386 . 1 . 1 82 82 ARG N N 15 126.836319 0.04285005868 . . . . . . . 82 ARG N . 51026 1 387 . 1 . 1 83 83 LEU H H 1 6.995591938 0.008394288155 . . . . . . . 83 LEU H . 51026 1 388 . 1 . 1 83 83 LEU C C 13 174.7869398 0.00174789641 . . . . . . . 83 LEU C . 51026 1 389 . 1 . 1 83 83 LEU CA C 13 53.07516734 0.002914447435 . . . . . . . 83 LEU CA . 51026 1 390 . 1 . 1 83 83 LEU CB C 13 43.30645878 0.02508700078 . . . . . . . 83 LEU CB . 51026 1 391 . 1 . 1 83 83 LEU N N 15 122.5899704 0.05211193946 . . . . . . . 83 LEU N . 51026 1 392 . 1 . 1 84 84 ASP H H 1 7.472830132 0.006400891169 . . . . . . . 84 ASP H . 51026 1 393 . 1 . 1 84 84 ASP C C 13 175.2933986 0.01130797371 . . . . . . . 84 ASP C . 51026 1 394 . 1 . 1 84 84 ASP CA C 13 50.97138505 0.04192403756 . . . . . . . 84 ASP CA . 51026 1 395 . 1 . 1 84 84 ASP CB C 13 41.17860645 0.06466331808 . . . . . . . 84 ASP CB . 51026 1 396 . 1 . 1 84 84 ASP N N 15 119.108073 0.05810919375 . . . . . . . 84 ASP N . 51026 1 397 . 1 . 1 85 85 LEU H H 1 8.720541354 0.005869026915 . . . . . . . 85 LEU H . 51026 1 398 . 1 . 1 85 85 LEU C C 13 175.9077684 0 . . . . . . . 85 LEU C . 51026 1 399 . 1 . 1 85 85 LEU CA C 13 59.30504467 0 . . . . . . . 85 LEU CA . 51026 1 400 . 1 . 1 85 85 LEU CB C 13 38.10820528 0 . . . . . . . 85 LEU CB . 51026 1 401 . 1 . 1 85 85 LEU N N 15 118.4463258 0.04311450083 . . . . . . . 85 LEU N . 51026 1 402 . 1 . 1 86 86 PRO C C 13 177.8439091 0 . . . . . . . 86 PRO C . 51026 1 403 . 1 . 1 86 86 PRO CA C 13 66.24289217 0.0173550341 . . . . . . . 86 PRO CA . 51026 1 404 . 1 . 1 86 86 PRO CB C 13 30.58519834 0.001669395484 . . . . . . . 86 PRO CB . 51026 1 405 . 1 . 1 87 87 ALA H H 1 7.520974478 0.007360071795 . . . . . . . 87 ALA H . 51026 1 406 . 1 . 1 87 87 ALA C C 13 178.8697996 0.008992512661 . . . . . . . 87 ALA C . 51026 1 407 . 1 . 1 87 87 ALA CA C 13 55.5109084 0.02779579316 . . . . . . . 87 ALA CA . 51026 1 408 . 1 . 1 87 87 ALA CB C 13 17.46809415 0.05776227279 . . . . . . . 87 ALA CB . 51026 1 409 . 1 . 1 87 87 ALA N N 15 117.3425385 0.05408287904 . . . . . . . 87 ALA N . 51026 1 410 . 1 . 1 88 88 ILE H H 1 8.139159738 0.006122027118 . . . . . . . 88 ILE H . 51026 1 411 . 1 . 1 88 88 ILE C C 13 178.4123086 0.0007477414827 . . . . . . . 88 ILE C . 51026 1 412 . 1 . 1 88 88 ILE CA C 13 64.87378537 0.003361306945 . . . . . . . 88 ILE CA . 51026 1 413 . 1 . 1 88 88 ILE CB C 13 37.12848152 0.04163440114 . . . . . . . 88 ILE CB . 51026 1 414 . 1 . 1 88 88 ILE N N 15 117.946866 0.05631072311 . . . . . . . 88 ILE N . 51026 1 415 . 1 . 1 89 89 ILE H H 1 8.804517545 0.006537663447 . . . . . . . 89 ILE H . 51026 1 416 . 1 . 1 89 89 ILE C C 13 178.4053567 0.01814142454 . . . . . . . 89 ILE C . 51026 1 417 . 1 . 1 89 89 ILE CA C 13 64.26548855 0.009240011568 . . . . . . . 89 ILE CA . 51026 1 418 . 1 . 1 89 89 ILE CB C 13 36.02727361 0.108194008 . . . . . . . 89 ILE CB . 51026 1 419 . 1 . 1 89 89 ILE N N 15 119.392227 0.05378281066 . . . . . . . 89 ILE N . 51026 1 420 . 1 . 1 90 90 GLY H H 1 8.74364169 0.005865900405 . . . . . . . 90 GLY H . 51026 1 421 . 1 . 1 90 90 GLY C C 13 175.9145341 0.002107552057 . . . . . . . 90 GLY C . 51026 1 422 . 1 . 1 90 90 GLY CA C 13 47.6586988 0.004687736992 . . . . . . . 90 GLY CA . 51026 1 423 . 1 . 1 90 90 GLY N N 15 107.7783705 0.06021177211 . . . . . . . 90 GLY N . 51026 1 424 . 1 . 1 91 91 MET H H 1 8.755739454 0.005871657081 . . . . . . . 91 MET H . 51026 1 425 . 1 . 1 91 91 MET C C 13 178.2581237 0.001657940239 . . . . . . . 91 MET C . 51026 1 426 . 1 . 1 91 91 MET CA C 13 60.18339719 0.02395250874 . . . . . . . 91 MET CA . 51026 1 427 . 1 . 1 91 91 MET CB C 13 33.38347245 0.06581518997 . . . . . . . 91 MET CB . 51026 1 428 . 1 . 1 91 91 MET N N 15 120.8394905 0.0568184417 . . . . . . . 91 MET N . 51026 1 429 . 1 . 1 92 92 MET H H 1 8.567177624 0.005668187177 . . . . . . . 92 MET H . 51026 1 430 . 1 . 1 92 92 MET C C 13 178.1555395 0.005591322817 . . . . . . . 92 MET C . 51026 1 431 . 1 . 1 92 92 MET CA C 13 59.33162015 0.01857620101 . . . . . . . 92 MET CA . 51026 1 432 . 1 . 1 92 92 MET CB C 13 31.86726323 0 . . . . . . . 92 MET CB . 51026 1 433 . 1 . 1 92 92 MET N N 15 120.0350369 0.07260511572 . . . . . . . 92 MET N . 51026 1 434 . 1 . 1 93 93 LEU H H 1 8.245525671 0.008917440366 . . . . . . . 93 LEU H . 51026 1 435 . 1 . 1 93 93 LEU C C 13 178.7337912 0.04207506096 . . . . . . . 93 LEU C . 51026 1 436 . 1 . 1 93 93 LEU CA C 13 58.31011361 0.005043491046 . . . . . . . 93 LEU CA . 51026 1 437 . 1 . 1 93 93 LEU CB C 13 39.61749051 0.06955607845 . . . . . . . 93 LEU CB . 51026 1 438 . 1 . 1 93 93 LEU N N 15 120.5758426 0.05407367952 . . . . . . . 93 LEU N . 51026 1 439 . 1 . 1 94 94 ILE H H 1 7.951370388 0.007648877298 . . . . . . . 94 ILE H . 51026 1 440 . 1 . 1 94 94 ILE C C 13 177.1769867 0.02296319131 . . . . . . . 94 ILE C . 51026 1 441 . 1 . 1 94 94 ILE CA C 13 65.32266048 0.03751650203 . . . . . . . 94 ILE CA . 51026 1 442 . 1 . 1 94 94 ILE CB C 13 37.54788967 0.0974665594 . . . . . . . 94 ILE CB . 51026 1 443 . 1 . 1 94 94 ILE N N 15 118.5408797 0.07474259393 . . . . . . . 94 ILE N . 51026 1 444 . 1 . 1 95 95 CYS H H 1 8.385252076 0.006913634906 . . . . . . . 95 CYS H . 51026 1 445 . 1 . 1 95 95 CYS C C 13 176.2470649 0.01813156008 . . . . . . . 95 CYS C . 51026 1 446 . 1 . 1 95 95 CYS CA C 13 63.25953744 0.02778297877 . . . . . . . 95 CYS CA . 51026 1 447 . 1 . 1 95 95 CYS CB C 13 26.1520884 0.04900692085 . . . . . . . 95 CYS CB . 51026 1 448 . 1 . 1 95 95 CYS N N 15 117.8537235 0.03689076819 . . . . . . . 95 CYS N . 51026 1 449 . 1 . 1 96 96 ALA H H 1 8.773230263 0.006999158301 . . . . . . . 96 ALA H . 51026 1 450 . 1 . 1 96 96 ALA C C 13 178.8993616 0.02073323373 . . . . . . . 96 ALA C . 51026 1 451 . 1 . 1 96 96 ALA CA C 13 55.01733846 0.01620089531 . . . . . . . 96 ALA CA . 51026 1 452 . 1 . 1 96 96 ALA CB C 13 17.22701709 0.06313616347 . . . . . . . 96 ALA CB . 51026 1 453 . 1 . 1 96 96 ALA N N 15 119.4821969 0.07217851918 . . . . . . . 96 ALA N . 51026 1 454 . 1 . 1 97 97 GLY H H 1 8.496194711 0.003898196433 . . . . . . . 97 GLY H . 51026 1 455 . 1 . 1 97 97 GLY C C 13 175.1569551 0.03201588063 . . . . . . . 97 GLY C . 51026 1 456 . 1 . 1 97 97 GLY CA C 13 48.46375528 0.02860085113 . . . . . . . 97 GLY CA . 51026 1 457 . 1 . 1 97 97 GLY N N 15 104.9027673 0.04785707523 . . . . . . . 97 GLY N . 51026 1 458 . 1 . 1 98 98 VAL H H 1 8.295885394 0.006461783081 . . . . . . . 98 VAL H . 51026 1 459 . 1 . 1 98 98 VAL C C 13 178.1386031 0.04223917454 . . . . . . . 98 VAL C . 51026 1 460 . 1 . 1 98 98 VAL CA C 13 66.85959846 0.0184583725 . . . . . . . 98 VAL CA . 51026 1 461 . 1 . 1 98 98 VAL CB C 13 30.5268908 0.08088459761 . . . . . . . 98 VAL CB . 51026 1 462 . 1 . 1 98 98 VAL N N 15 120.8998577 0.04830830006 . . . . . . . 98 VAL N . 51026 1 463 . 1 . 1 99 99 LEU H H 1 8.322124733 0.009253413621 . . . . . . . 99 LEU H . 51026 1 464 . 1 . 1 99 99 LEU C C 13 178.3986807 0.02801740699 . . . . . . . 99 LEU C . 51026 1 465 . 1 . 1 99 99 LEU CA C 13 58.84821211 0.02547621429 . . . . . . . 99 LEU CA . 51026 1 466 . 1 . 1 99 99 LEU CB C 13 40.5155381 0.06973989755 . . . . . . . 99 LEU CB . 51026 1 467 . 1 . 1 99 99 LEU N N 15 120.8407569 0.05267350723 . . . . . . . 99 LEU N . 51026 1 468 . 1 . 1 100 100 ILE H H 1 8.282124833 0.007285111482 . . . . . . . 100 ILE H . 51026 1 469 . 1 . 1 100 100 ILE C C 13 177.8210734 0.03189684889 . . . . . . . 100 ILE C . 51026 1 470 . 1 . 1 100 100 ILE CA C 13 65.85211537 0.02179328304 . . . . . . . 100 ILE CA . 51026 1 471 . 1 . 1 100 100 ILE CB C 13 37.64596727 0.05961508589 . . . . . . . 100 ILE CB . 51026 1 472 . 1 . 1 100 100 ILE N N 15 118.7326597 0.04886591935 . . . . . . . 100 ILE N . 51026 1 473 . 1 . 1 101 101 ILE H H 1 7.927644806 0.007729587218 . . . . . . . 101 ILE H . 51026 1 474 . 1 . 1 101 101 ILE C C 13 177.1081644 0.006677544208 . . . . . . . 101 ILE C . 51026 1 475 . 1 . 1 101 101 ILE CA C 13 65.79662434 0.02136684648 . . . . . . . 101 ILE CA . 51026 1 476 . 1 . 1 101 101 ILE CB C 13 37.98340741 0.06236367768 . . . . . . . 101 ILE CB . 51026 1 477 . 1 . 1 101 101 ILE N N 15 118.5618934 0.04827944563 . . . . . . . 101 ILE N . 51026 1 478 . 1 . 1 102 102 ASN H H 1 7.914113159 0.009355602927 . . . . . . . 102 ASN H . 51026 1 479 . 1 . 1 102 102 ASN C C 13 176.1802238 0.02234396704 . . . . . . . 102 ASN C . 51026 1 480 . 1 . 1 102 102 ASN CA C 13 56.07705105 0.01768869794 . . . . . . . 102 ASN CA . 51026 1 481 . 1 . 1 102 102 ASN CB C 13 39.11874064 0.0153237172 . . . . . . . 102 ASN CB . 51026 1 482 . 1 . 1 102 102 ASN N N 15 114.8711249 0.04879617163 . . . . . . . 102 ASN N . 51026 1 483 . 1 . 1 103 103 LEU H H 1 8.233738635 0.006327437484 . . . . . . . 103 LEU H . 51026 1 484 . 1 . 1 103 103 LEU C C 13 177.3947594 0.04593384093 . . . . . . . 103 LEU C . 51026 1 485 . 1 . 1 103 103 LEU CA C 13 55.4950903 0.02085335433 . . . . . . . 103 LEU CA . 51026 1 486 . 1 . 1 103 103 LEU CB C 13 41.87198494 0.09803046105 . . . . . . . 103 LEU CB . 51026 1 487 . 1 . 1 103 103 LEU N N 15 114.4691462 0.06690126715 . . . . . . . 103 LEU N . 51026 1 488 . 1 . 1 104 104 LEU H H 1 7.645025877 0.006789526364 . . . . . . . 104 LEU H . 51026 1 489 . 1 . 1 104 104 LEU C C 13 176.6739219 0.02358575964 . . . . . . . 104 LEU C . 51026 1 490 . 1 . 1 104 104 LEU CA C 13 54.45127366 0.03332059095 . . . . . . . 104 LEU CA . 51026 1 491 . 1 . 1 104 104 LEU CB C 13 42.69958344 0.04400003244 . . . . . . . 104 LEU CB . 51026 1 492 . 1 . 1 104 104 LEU N N 15 115.0767121 0.04301385917 . . . . . . . 104 LEU N . 51026 1 493 . 1 . 1 105 105 SER H H 1 7.118228697 0.006696064426 . . . . . . . 105 SER H . 51026 1 494 . 1 . 1 105 105 SER C C 13 175.5308908 0 . . . . . . . 105 SER C . 51026 1 495 . 1 . 1 105 105 SER CA C 13 57.62045323 0.0198018988 . . . . . . . 105 SER CA . 51026 1 496 . 1 . 1 105 105 SER CB C 13 63.50743655 0.08983508436 . . . . . . . 105 SER CB . 51026 1 497 . 1 . 1 105 105 SER N N 15 112.3473209 0.04852568621 . . . . . . . 105 SER N . 51026 1 498 . 1 . 1 106 106 ARG H H 1 9.415805723 0.006735651937 . . . . . . . 106 ARG H . 51026 1 499 . 1 . 1 106 106 ARG C C 13 176.6666322 0.005773860934 . . . . . . . 106 ARG C . 51026 1 500 . 1 . 1 106 106 ARG CA C 13 55.56628147 0.01728814586 . . . . . . . 106 ARG CA . 51026 1 501 . 1 . 1 106 106 ARG CB C 13 29.65951691 0.02700275127 . . . . . . . 106 ARG CB . 51026 1 502 . 1 . 1 106 106 ARG N N 15 127.4396413 0.04202438159 . . . . . . . 106 ARG N . 51026 1 503 . 1 . 1 107 107 SER H H 1 8.44111201 0.005917361612 . . . . . . . 107 SER H . 51026 1 504 . 1 . 1 107 107 SER C C 13 174.0668111 0 . . . . . . . 107 SER C . 51026 1 505 . 1 . 1 107 107 SER CA C 13 58.52050874 0.01362234289 . . . . . . . 107 SER CA . 51026 1 506 . 1 . 1 107 107 SER CB C 13 63.19292012 0.06621155465 . . . . . . . 107 SER CB . 51026 1 507 . 1 . 1 107 107 SER N N 15 117.0759255 0.03924816016 . . . . . . . 107 SER N . 51026 1 508 . 1 . 1 108 108 THR H H 1 7.637207315 0.006286335655 . . . . . . . 108 THR H . 51026 1 509 . 1 . 1 108 108 THR C C 13 172.7148802 0 . . . . . . . 108 THR C . 51026 1 510 . 1 . 1 108 108 THR CA C 13 59.09761439 0 . . . . . . . 108 THR CA . 51026 1 511 . 1 . 1 108 108 THR CB C 13 69.26689633 0 . . . . . . . 108 THR CB . 51026 1 512 . 1 . 1 108 108 THR N N 15 116.7069062 0.04477324378 . . . . . . . 108 THR N . 51026 1 513 . 1 . 1 109 109 PRO C C 13 175.8223718 0.004334719495 . . . . . . . 109 PRO C . 51026 1 514 . 1 . 1 109 109 PRO CA C 13 63.09303692 0.01228249696 . . . . . . . 109 PRO CA . 51026 1 515 . 1 . 1 109 109 PRO CB C 13 31.13054 0.04593149348 . . . . . . . 109 PRO CB . 51026 1 516 . 1 . 1 110 110 HIS H H 1 7.910094956 0.006718787917 . . . . . . . 110 HIS H . 51026 1 517 . 1 . 1 110 110 HIS C C 13 178.6122142 0 . . . . . . . 110 HIS C . 51026 1 518 . 1 . 1 110 110 HIS CA C 13 56.65182393 0 . . . . . . . 110 HIS CA . 51026 1 519 . 1 . 1 110 110 HIS CB C 13 29.90330252 0 . . . . . . . 110 HIS CB . 51026 1 520 . 1 . 1 110 110 HIS N N 15 123.8326835 0.03836360149 . . . . . . . 110 HIS N . 51026 1 521 . 2 . 1 1 1 MET H H 1 8.194905111 0.008882558822 . . . . . . . 1 MET H . 51026 1 522 . 2 . 1 1 1 MET C C 13 174.9829496 0.007213480821 . . . . . . . 1 MET C . 51026 1 523 . 2 . 1 1 1 MET CA C 13 54.77942705 0.03475092304 . . . . . . . 1 MET CA . 51026 1 524 . 2 . 1 1 1 MET CB C 13 32.69191583 0.04257900276 . . . . . . . 1 MET CB . 51026 1 525 . 2 . 1 1 1 MET N N 15 121.0823642 0.01071881941 . . . . . . . 1 MET N . 51026 1 526 . 2 . 1 2 2 ASN H H 1 8.371299343 0.008592858661 . . . . . . . 2 ASN H . 51026 1 527 . 2 . 1 2 2 ASN C C 13 174.981887 0 . . . . . . . 2 ASN C . 51026 1 528 . 2 . 1 2 2 ASN CA C 13 51.41759787 0 . . . . . . . 2 ASN CA . 51026 1 529 . 2 . 1 2 2 ASN CB C 13 38.44455005 0 . . . . . . . 2 ASN CB . 51026 1 530 . 2 . 1 2 2 ASN N N 15 122.7729649 0.03982133059 . . . . . . . 2 ASN N . 51026 1 531 . 2 . 1 3 3 PRO C C 13 177.9958242 0 . . . . . . . 3 PRO C . 51026 1 532 . 2 . 1 3 3 PRO CA C 13 64.31662138 0.02576121379 . . . . . . . 3 PRO CA . 51026 1 533 . 2 . 1 3 3 PRO CB C 13 31.30778307 0 . . . . . . . 3 PRO CB . 51026 1 534 . 2 . 1 4 4 TYR H H 1 8.39295685 0.008887566269 . . . . . . . 4 TYR H . 51026 1 535 . 2 . 1 4 4 TYR C C 13 178.4560358 0.0161318665 . . . . . . . 4 TYR C . 51026 1 536 . 2 . 1 4 4 TYR CA C 13 61.55424981 0.03207663901 . . . . . . . 4 TYR CA . 51026 1 537 . 2 . 1 4 4 TYR CB C 13 36.36943111 0.07761587701 . . . . . . . 4 TYR CB . 51026 1 538 . 2 . 1 4 4 TYR N N 15 116.4690486 0.04526170366 . . . . . . . 4 TYR N . 51026 1 539 . 2 . 1 5 5 ILE H H 1 7.862664787 0.007251979276 . . . . . . . 5 ILE H . 51026 1 540 . 2 . 1 5 5 ILE C C 13 178.179319 0.0150141974 . . . . . . . 5 ILE C . 51026 1 541 . 2 . 1 5 5 ILE CA C 13 64.37230797 0.03554514586 . . . . . . . 5 ILE CA . 51026 1 542 . 2 . 1 5 5 ILE CB C 13 35.85532601 0.07914895558 . . . . . . . 5 ILE CB . 51026 1 543 . 2 . 1 5 5 ILE N N 15 121.3215934 0.06389641397 . . . . . . . 5 ILE N . 51026 1 544 . 2 . 1 6 6 TYR H H 1 6.842787188 0.007458344719 . . . . . . . 6 TYR H . 51026 1 545 . 2 . 1 6 6 TYR C C 13 178.1560295 0.0309804268 . . . . . . . 6 TYR C . 51026 1 546 . 2 . 1 6 6 TYR CA C 13 61.19629452 0.02533142429 . . . . . . . 6 TYR CA . 51026 1 547 . 2 . 1 6 6 TYR CB C 13 36.80475519 0.04608787198 . . . . . . . 6 TYR CB . 51026 1 548 . 2 . 1 6 6 TYR N N 15 118.7865005 0.0643422483 . . . . . . . 6 TYR N . 51026 1 549 . 2 . 1 7 7 LEU H H 1 7.852593221 0.007104386218 . . . . . . . 7 LEU H . 51026 1 550 . 2 . 1 7 7 LEU C C 13 178.8016518 0.00120060741 . . . . . . . 7 LEU C . 51026 1 551 . 2 . 1 7 7 LEU CA C 13 57.34595076 0.02182020106 . . . . . . . 7 LEU CA . 51026 1 552 . 2 . 1 7 7 LEU CB C 13 40.91512164 0.09064582445 . . . . . . . 7 LEU CB . 51026 1 553 . 2 . 1 7 7 LEU N N 15 120.4825061 0.04204782896 . . . . . . . 7 LEU N . 51026 1 554 . 2 . 1 8 8 GLY H H 1 8.79621541 0.008277698249 . . . . . . . 8 GLY H . 51026 1 555 . 2 . 1 8 8 GLY C C 13 175.6614544 0.04642492931 . . . . . . . 8 GLY C . 51026 1 556 . 2 . 1 8 8 GLY CA C 13 47.14493728 0.02804738557 . . . . . . . 8 GLY CA . 51026 1 557 . 2 . 1 8 8 GLY N N 15 106.7453448 0.05418872305 . . . . . . . 8 GLY N . 51026 1 558 . 2 . 1 9 9 GLY H H 1 8.744504438 0.006340052762 . . . . . . . 9 GLY H . 51026 1 559 . 2 . 1 9 9 GLY C C 13 174.3755806 0.01843712744 . . . . . . . 9 GLY C . 51026 1 560 . 2 . 1 9 9 GLY CA C 13 47.67897275 0.01452740031 . . . . . . . 9 GLY CA . 51026 1 561 . 2 . 1 9 9 GLY N N 15 109.7330609 0.05602984383 . . . . . . . 9 GLY N . 51026 1 562 . 2 . 1 10 10 ALA H H 1 8.896941127 0.006756026309 . . . . . . . 10 ALA H . 51026 1 563 . 2 . 1 10 10 ALA C C 13 182.289187 0.005747831103 . . . . . . . 10 ALA C . 51026 1 564 . 2 . 1 10 10 ALA CA C 13 55.45538178 0.01417258362 . . . . . . . 10 ALA CA . 51026 1 565 . 2 . 1 10 10 ALA CB C 13 17.41192739 0.04383793892 . . . . . . . 10 ALA CB . 51026 1 566 . 2 . 1 10 10 ALA N N 15 125.7426724 0.07068189606 . . . . . . . 10 ALA N . 51026 1 567 . 2 . 1 11 11 ILE H H 1 8.520221014 0.007628937401 . . . . . . . 11 ILE H . 51026 1 568 . 2 . 1 11 11 ILE C C 13 177.2528658 0.01562623651 . . . . . . . 11 ILE C . 51026 1 569 . 2 . 1 11 11 ILE CA C 13 64.17843399 0.00430323447 . . . . . . . 11 ILE CA . 51026 1 570 . 2 . 1 11 11 ILE CB C 13 37.57747857 0.06717663063 . . . . . . . 11 ILE CB . 51026 1 571 . 2 . 1 11 11 ILE N N 15 122.633292 0.06292379392 . . . . . . . 11 ILE N . 51026 1 572 . 2 . 1 12 12 LEU H H 1 8.535213907 0.007334121381 . . . . . . . 12 LEU H . 51026 1 573 . 2 . 1 12 12 LEU C C 13 178.5191794 0.005633861354 . . . . . . . 12 LEU C . 51026 1 574 . 2 . 1 12 12 LEU CA C 13 58.2155244 0.003681660594 . . . . . . . 12 LEU CA . 51026 1 575 . 2 . 1 12 12 LEU CB C 13 40.62073746 0.09211861435 . . . . . . . 12 LEU CB . 51026 1 576 . 2 . 1 12 12 LEU N N 15 121.1709445 0.05451182378 . . . . . . . 12 LEU N . 51026 1 577 . 2 . 1 13 13 ALA H H 1 8.729648429 0.005735030537 . . . . . . . 13 ALA H . 51026 1 578 . 2 . 1 13 13 ALA C C 13 179.4167858 0.02163725494 . . . . . . . 13 ALA C . 51026 1 579 . 2 . 1 13 13 ALA CA C 13 55.52230524 0.04298496317 . . . . . . . 13 ALA CA . 51026 1 580 . 2 . 1 13 13 ALA CB C 13 16.74148016 0.08732689685 . . . . . . . 13 ALA CB . 51026 1 581 . 2 . 1 13 13 ALA N N 15 119.2411273 0.03795544906 . . . . . . . 13 ALA N . 51026 1 582 . 2 . 1 14 14 GLU H H 1 7.867860157 0.009426729154 . . . . . . . 14 GLU H . 51026 1 583 . 2 . 1 14 14 GLU C C 13 177.7438092 0.04444688593 . . . . . . . 14 GLU C . 51026 1 584 . 2 . 1 14 14 GLU CA C 13 59.23760734 0.009770132399 . . . . . . . 14 GLU CA . 51026 1 585 . 2 . 1 14 14 GLU CB C 13 26.92036902 0.1256670426 . . . . . . . 14 GLU CB . 51026 1 586 . 2 . 1 14 14 GLU N N 15 118.1441987 0.05024631232 . . . . . . . 14 GLU N . 51026 1 587 . 2 . 1 15 15 VAL H H 1 8.475925393 0.006907750784 . . . . . . . 15 VAL H . 51026 1 588 . 2 . 1 15 15 VAL C C 13 178.837944 0.0323464633 . . . . . . . 15 VAL C . 51026 1 589 . 2 . 1 15 15 VAL CA C 13 66.33092416 0.01646162407 . . . . . . . 15 VAL CA . 51026 1 590 . 2 . 1 15 15 VAL CB C 13 30.91534193 0.0802779222 . . . . . . . 15 VAL CB . 51026 1 591 . 2 . 1 15 15 VAL N N 15 123.1199839 0.0510673368 . . . . . . . 15 VAL N . 51026 1 592 . 2 . 1 16 16 ILE H H 1 8.697783074 0.008823174609 . . . . . . . 16 ILE H . 51026 1 593 . 2 . 1 16 16 ILE C C 13 178.0069846 0.03143578473 . . . . . . . 16 ILE C . 51026 1 594 . 2 . 1 16 16 ILE CA C 13 65.02736433 0.01655505685 . . . . . . . 16 ILE CA . 51026 1 595 . 2 . 1 16 16 ILE CB C 13 36.31290897 0.009728713705 . . . . . . . 16 ILE CB . 51026 1 596 . 2 . 1 16 16 ILE N N 15 122.0105921 0.07632318006 . . . . . . . 16 ILE N . 51026 1 597 . 2 . 1 17 17 GLY H H 1 8.49323351 0.006090126277 . . . . . . . 17 GLY H . 51026 1 598 . 2 . 1 17 17 GLY C C 13 173.9846506 0 . . . . . . . 17 GLY C . 51026 1 599 . 2 . 1 17 17 GLY CA C 13 47.81524417 0 . . . . . . . 17 GLY CA . 51026 1 600 . 2 . 1 17 17 GLY N N 15 107.101 0.05467030297 . . . . . . . 17 GLY N . 51026 1 601 . 2 . 1 18 18 THR C C 13 175.1370195 0 . . . . . . . 18 THR C . 51026 1 602 . 2 . 1 18 18 THR CA C 13 65.96895778 0.001752961314 . . . . . . . 18 THR CA . 51026 1 603 . 2 . 1 19 19 THR H H 1 7.748431394 0.005303192075 . . . . . . . 19 THR H . 51026 1 604 . 2 . 1 19 19 THR C C 13 176.0802004 0 . . . . . . . 19 THR C . 51026 1 605 . 2 . 1 19 19 THR CA C 13 67.45757823 0.04519791264 . . . . . . . 19 THR CA . 51026 1 606 . 2 . 1 19 19 THR CB C 13 69.00491243 0 . . . . . . . 19 THR CB . 51026 1 607 . 2 . 1 19 19 THR N N 15 119.5548803 0.05868609695 . . . . . . . 19 THR N . 51026 1 608 . 2 . 1 20 20 LEU H H 1 8.154922194 0.007086723573 . . . . . . . 20 LEU H . 51026 1 609 . 2 . 1 20 20 LEU C C 13 178.7598209 0.01003552059 . . . . . . . 20 LEU C . 51026 1 610 . 2 . 1 20 20 LEU CA C 13 57.8976833 0.01631051488 . . . . . . . 20 LEU CA . 51026 1 611 . 2 . 1 20 20 LEU CB C 13 40.00332541 0.09230890154 . . . . . . . 20 LEU CB . 51026 1 612 . 2 . 1 20 20 LEU N N 15 120.5402505 0.05411117431 . . . . . . . 20 LEU N . 51026 1 613 . 2 . 1 21 21 MET H H 1 8.005471873 0.006391777316 . . . . . . . 21 MET H . 51026 1 614 . 2 . 1 21 21 MET C C 13 181.002171 0.006939352169 . . . . . . . 21 MET C . 51026 1 615 . 2 . 1 21 21 MET CA C 13 59.09246916 0.01332168504 . . . . . . . 21 MET CA . 51026 1 616 . 2 . 1 21 21 MET CB C 13 31.42253437 0.03054114272 . . . . . . . 21 MET CB . 51026 1 617 . 2 . 1 21 21 MET N N 15 120.8510325 0.06198689665 . . . . . . . 21 MET N . 51026 1 618 . 2 . 1 22 22 LYS H H 1 7.606812432 0.006677724631 . . . . . . . 22 LYS H . 51026 1 619 . 2 . 1 22 22 LYS C C 13 178.1603655 0.01591863148 . . . . . . . 22 LYS C . 51026 1 620 . 2 . 1 22 22 LYS CA C 13 58.58123219 0.008058342734 . . . . . . . 22 LYS CA . 51026 1 621 . 2 . 1 22 22 LYS CB C 13 30.54624643 0.05005039307 . . . . . . . 22 LYS CB . 51026 1 622 . 2 . 1 22 22 LYS N N 15 122.6028485 0.05684324857 . . . . . . . 22 LYS N . 51026 1 623 . 2 . 1 23 23 PHE H H 1 7.499169266 0.007359176685 . . . . . . . 23 PHE H . 51026 1 624 . 2 . 1 23 23 PHE C C 13 175.5614285 0.01145727257 . . . . . . . 23 PHE C . 51026 1 625 . 2 . 1 23 23 PHE CA C 13 58.59775193 0.001442201533 . . . . . . . 23 PHE CA . 51026 1 626 . 2 . 1 23 23 PHE CB C 13 38.16367745 0.07187468901 . . . . . . . 23 PHE CB . 51026 1 627 . 2 . 1 23 23 PHE N N 15 117.6753799 0.04264700893 . . . . . . . 23 PHE N . 51026 1 628 . 2 . 1 24 24 SER H H 1 7.845081711 0.005846234297 . . . . . . . 24 SER H . 51026 1 629 . 2 . 1 24 24 SER C C 13 173.7150114 0 . . . . . . . 24 SER C . 51026 1 630 . 2 . 1 24 24 SER CA C 13 60.09899057 0.0113127563 . . . . . . . 24 SER CA . 51026 1 631 . 2 . 1 24 24 SER CB C 13 63.88348376 0.07860018847 . . . . . . . 24 SER CB . 51026 1 632 . 2 . 1 24 24 SER N N 15 115.0150059 0.07381974372 . . . . . . . 24 SER N . 51026 1 633 . 2 . 1 25 25 GLU H H 1 8.074680972 0.00617616983 . . . . . . . 25 GLU H . 51026 1 634 . 2 . 1 25 25 GLU C C 13 177.9928873 0.01269557585 . . . . . . . 25 GLU C . 51026 1 635 . 2 . 1 25 25 GLU CA C 13 55.86958164 0.01710690772 . . . . . . . 25 GLU CA . 51026 1 636 . 2 . 1 25 25 GLU CB C 13 26.23626261 0.01075814946 . . . . . . . 25 GLU CB . 51026 1 637 . 2 . 1 25 25 GLU N N 15 122.1307845 0.0373630696 . . . . . . . 25 GLU N . 51026 1 638 . 2 . 1 26 26 GLY H H 1 9.132237036 0.008947075106 . . . . . . . 26 GLY H . 51026 1 639 . 2 . 1 26 26 GLY C C 13 174.5706239 0.02536180355 . . . . . . . 26 GLY C . 51026 1 640 . 2 . 1 26 26 GLY CA C 13 46.91802432 0.01908145563 . . . . . . . 26 GLY CA . 51026 1 641 . 2 . 1 26 26 GLY N N 15 113.0402443 0.05599465045 . . . . . . . 26 GLY N . 51026 1 642 . 2 . 1 27 27 PHE H H 1 7.865796553 0.007084913554 . . . . . . . 27 PHE H . 51026 1 643 . 2 . 1 27 27 PHE C C 13 174.063872 0.0171620646 . . . . . . . 27 PHE C . 51026 1 644 . 2 . 1 27 27 PHE CA C 13 59.01345613 0.09310802117 . . . . . . . 27 PHE CA . 51026 1 645 . 2 . 1 27 27 PHE CB C 13 35.81637845 0 . . . . . . . 27 PHE CB . 51026 1 646 . 2 . 1 27 27 PHE N N 15 113.7307749 0.05474352473 . . . . . . . 27 PHE N . 51026 1 647 . 2 . 1 28 28 THR H H 1 7.516582129 0.009280842259 . . . . . . . 28 THR H . 51026 1 648 . 2 . 1 28 28 THR C C 13 175.3722023 0.0009388728694 . . . . . . . 28 THR C . 51026 1 649 . 2 . 1 28 28 THR CA C 13 61.96170433 0.06007891825 . . . . . . . 28 THR CA . 51026 1 650 . 2 . 1 28 28 THR CB C 13 70.35715198 0.08826523272 . . . . . . . 28 THR CB . 51026 1 651 . 2 . 1 28 28 THR N N 15 102.5465372 0.07443906683 . . . . . . . 28 THR N . 51026 1 652 . 2 . 1 29 29 ARG H H 1 7.536498147 0.007288489593 . . . . . . . 29 ARG H . 51026 1 653 . 2 . 1 29 29 ARG C C 13 177.8299535 0.02324125175 . . . . . . . 29 ARG C . 51026 1 654 . 2 . 1 29 29 ARG CA C 13 54.19996122 0.01398915927 . . . . . . . 29 ARG CA . 51026 1 655 . 2 . 1 29 29 ARG CB C 13 30.09422964 0.08219640006 . . . . . . . 29 ARG CB . 51026 1 656 . 2 . 1 29 29 ARG N N 15 120.7734347 0.04344781405 . . . . . . . 29 ARG N . 51026 1 657 . 2 . 1 30 30 LEU H H 1 8.933169426 0.006894318101 . . . . . . . 30 LEU H . 51026 1 658 . 2 . 1 30 30 LEU C C 13 177.4998519 0.01255469059 . . . . . . . 30 LEU C . 51026 1 659 . 2 . 1 30 30 LEU CA C 13 59.66735021 0.008873143255 . . . . . . . 30 LEU CA . 51026 1 660 . 2 . 1 30 30 LEU CB C 13 41.23561556 0.02619069431 . . . . . . . 30 LEU CB . 51026 1 661 . 2 . 1 30 30 LEU N N 15 130.9644299 0.03848909919 . . . . . . . 30 LEU N . 51026 1 662 . 2 . 1 31 31 TRP H H 1 9.193329319 0.00739833947 . . . . . . . 31 TRP H . 51026 1 663 . 2 . 1 31 31 TRP C C 13 177.129974 0 . . . . . . . 31 TRP C . 51026 1 664 . 2 . 1 31 31 TRP CA C 13 61.70520186 0.02376474797 . . . . . . . 31 TRP CA . 51026 1 665 . 2 . 1 31 31 TRP CB C 13 26.20770068 0 . . . . . . . 31 TRP CB . 51026 1 666 . 2 . 1 31 31 TRP N N 15 118.7765177 0.04403769992 . . . . . . . 31 TRP N . 51026 1 667 . 2 . 1 32 32 PRO C C 13 179.023731 0.006001787603 . . . . . . . 32 PRO C . 51026 1 668 . 2 . 1 32 32 PRO CA C 13 65.36226438 0.006648718449 . . . . . . . 32 PRO CA . 51026 1 669 . 2 . 1 32 32 PRO CB C 13 30.48956534 0 . . . . . . . 32 PRO CB . 51026 1 670 . 2 . 1 33 33 SER H H 1 7.227369748 0.007434967949 . . . . . . . 33 SER H . 51026 1 671 . 2 . 1 33 33 SER C C 13 175.2914352 0 . . . . . . . 33 SER C . 51026 1 672 . 2 . 1 33 33 SER CA C 13 63.50008574 0.03233801876 . . . . . . . 33 SER CA . 51026 1 673 . 2 . 1 33 33 SER CB C 13 61.60163442 0.05465763993 . . . . . . . 33 SER CB . 51026 1 674 . 2 . 1 33 33 SER N N 15 115.4176343 0.04551044814 . . . . . . . 33 SER N . 51026 1 675 . 2 . 1 34 34 VAL H H 1 8.403139356 0.006849091634 . . . . . . . 34 VAL H . 51026 1 676 . 2 . 1 34 34 VAL C C 13 178.4500251 0.01462325151 . . . . . . . 34 VAL C . 51026 1 677 . 2 . 1 34 34 VAL CA C 13 66.47537757 0.01936656298 . . . . . . . 34 VAL CA . 51026 1 678 . 2 . 1 34 34 VAL CB C 13 30.7112571 0.08888425022 . . . . . . . 34 VAL CB . 51026 1 679 . 2 . 1 34 34 VAL N N 15 121.9959907 0.009463255028 . . . . . . . 34 VAL N . 51026 1 680 . 2 . 1 35 35 GLY H H 1 8.775916377 0.005837534795 . . . . . . . 35 GLY H . 51026 1 681 . 2 . 1 35 35 GLY C C 13 174.7921366 0.00878774282 . . . . . . . 35 GLY C . 51026 1 682 . 2 . 1 35 35 GLY CA C 13 47.75111687 0.02413283372 . . . . . . . 35 GLY CA . 51026 1 683 . 2 . 1 35 35 GLY N N 15 105.6423741 0.05720102746 . . . . . . . 35 GLY N . 51026 1 684 . 2 . 1 36 36 THR H H 1 8.250701735 0.007977905458 . . . . . . . 36 THR H . 51026 1 685 . 2 . 1 36 36 THR C C 13 175.19502 0 . . . . . . . 36 THR C . 51026 1 686 . 2 . 1 36 36 THR CA C 13 68.51123318 0.02870427148 . . . . . . . 36 THR CA . 51026 1 687 . 2 . 1 36 36 THR N N 15 121.549699 0.04797314418 . . . . . . . 36 THR N . 51026 1 688 . 2 . 1 37 37 ILE H H 1 7.462909131 0.006516214457 . . . . . . . 37 ILE H . 51026 1 689 . 2 . 1 37 37 ILE C C 13 178.2274198 0.03018960472 . . . . . . . 37 ILE C . 51026 1 690 . 2 . 1 37 37 ILE CA C 13 65.25746597 0.00695432429 . . . . . . . 37 ILE CA . 51026 1 691 . 2 . 1 37 37 ILE CB C 13 37.09604354 0.06365449953 . . . . . . . 37 ILE CB . 51026 1 692 . 2 . 1 37 37 ILE N N 15 119.4174979 0.04571822511 . . . . . . . 37 ILE N . 51026 1 693 . 2 . 1 38 38 ILE H H 1 8.380663925 0.005808738827 . . . . . . . 38 ILE H . 51026 1 694 . 2 . 1 38 38 ILE C C 13 177.7561207 0.01004436448 . . . . . . . 38 ILE C . 51026 1 695 . 2 . 1 38 38 ILE CA C 13 65.54654349 0.02550939447 . . . . . . . 38 ILE CA . 51026 1 696 . 2 . 1 38 38 ILE CB C 13 36.80170771 0.09733756946 . . . . . . . 38 ILE CB . 51026 1 697 . 2 . 1 38 38 ILE N N 15 119.2905947 0.06900151406 . . . . . . . 38 ILE N . 51026 1 698 . 2 . 1 39 39 CYS H H 1 8.254587933 0.006477511427 . . . . . . . 39 CYS H . 51026 1 699 . 2 . 1 39 39 CYS C C 13 177.7092697 0.01692066164 . . . . . . . 39 CYS C . 51026 1 700 . 2 . 1 39 39 CYS CA C 13 65.06565394 0.01577216095 . . . . . . . 39 CYS CA . 51026 1 701 . 2 . 1 39 39 CYS CB C 13 26.07096736 0.1046103216 . . . . . . . 39 CYS CB . 51026 1 702 . 2 . 1 39 39 CYS N N 15 116.7266581 0.08961402618 . . . . . . . 39 CYS N . 51026 1 703 . 2 . 1 40 40 TYR H H 1 8.714026063 0.006475535284 . . . . . . . 40 TYR H . 51026 1 704 . 2 . 1 40 40 TYR C C 13 177.3281818 0.003977032297 . . . . . . . 40 TYR C . 51026 1 705 . 2 . 1 40 40 TYR CA C 13 57.66950924 0.01436193837 . . . . . . . 40 TYR CA . 51026 1 706 . 2 . 1 40 40 TYR CB C 13 34.23921128 0 . . . . . . . 40 TYR CB . 51026 1 707 . 2 . 1 40 40 TYR N N 15 119.2415794 0.05541163457 . . . . . . . 40 TYR N . 51026 1 708 . 2 . 1 41 41 CYS H H 1 8.539180918 0.008291578576 . . . . . . . 41 CYS H . 51026 1 709 . 2 . 1 41 41 CYS C C 13 176.6432873 0.01252240036 . . . . . . . 41 CYS C . 51026 1 710 . 2 . 1 41 41 CYS CA C 13 65.33602828 0.03094957428 . . . . . . . 41 CYS CA . 51026 1 711 . 2 . 1 41 41 CYS CB C 13 26.24379887 0.05649583408 . . . . . . . 41 CYS CB . 51026 1 712 . 2 . 1 41 41 CYS N N 15 117.4932515 0.02900281555 . . . . . . . 41 CYS N . 51026 1 713 . 2 . 1 42 42 ALA H H 1 8.40224047 0.007938433939 . . . . . . . 42 ALA H . 51026 1 714 . 2 . 1 42 42 ALA C C 13 178.4968754 0.02425240071 . . . . . . . 42 ALA C . 51026 1 715 . 2 . 1 42 42 ALA CA C 13 55.01445445 0.02462891603 . . . . . . . 42 ALA CA . 51026 1 716 . 2 . 1 42 42 ALA CB C 13 16.66465824 0.05530201646 . . . . . . . 42 ALA CB . 51026 1 717 . 2 . 1 42 42 ALA N N 15 120.2504559 0.06285114276 . . . . . . . 42 ALA N . 51026 1 718 . 2 . 1 43 43 SER H H 1 8.376304738 0.007262639888 . . . . . . . 43 SER H . 51026 1 719 . 2 . 1 43 43 SER C C 13 176.7774696 0 . . . . . . . 43 SER C . 51026 1 720 . 2 . 1 43 43 SER CA C 13 63.06503465 0.0241793438 . . . . . . . 43 SER CA . 51026 1 721 . 2 . 1 43 43 SER CB C 13 63.91646902 0.009816667086 . . . . . . . 43 SER CB . 51026 1 722 . 2 . 1 43 43 SER N N 15 112.6542924 0.06632336591 . . . . . . . 43 SER N . 51026 1 723 . 2 . 1 44 44 PHE H H 1 8.199013393 0.006002268823 . . . . . . . 44 PHE H . 51026 1 724 . 2 . 1 44 44 PHE C C 13 177.6538268 0.01372601362 . . . . . . . 44 PHE C . 51026 1 725 . 2 . 1 44 44 PHE CA C 13 58.7410776 0.01227926091 . . . . . . . 44 PHE CA . 51026 1 726 . 2 . 1 44 44 PHE CB C 13 37.43721663 0.03771744211 . . . . . . . 44 PHE CB . 51026 1 727 . 2 . 1 44 44 PHE N N 15 116.2827111 0.05758022932 . . . . . . . 44 PHE N . 51026 1 728 . 2 . 1 45 45 TRP H H 1 8.615367285 0.00704392443 . . . . . . . 45 TRP H . 51026 1 729 . 2 . 1 45 45 TRP C C 13 178.5718253 0.003143476047 . . . . . . . 45 TRP C . 51026 1 730 . 2 . 1 45 45 TRP CA C 13 63.0391009 0.006555330899 . . . . . . . 45 TRP CA . 51026 1 731 . 2 . 1 45 45 TRP CB C 13 28.48234222 0.04730331937 . . . . . . . 45 TRP CB . 51026 1 732 . 2 . 1 45 45 TRP N N 15 120.8130933 0.03921940829 . . . . . . . 45 TRP N . 51026 1 733 . 2 . 1 46 46 LEU H H 1 8.815270373 0.007148426684 . . . . . . . 46 LEU H . 51026 1 734 . 2 . 1 46 46 LEU C C 13 179.4609933 0.02033653431 . . . . . . . 46 LEU C . 51026 1 735 . 2 . 1 46 46 LEU CA C 13 58.18756358 0.01121903621 . . . . . . . 46 LEU CA . 51026 1 736 . 2 . 1 46 46 LEU CB C 13 40.72034694 0.02480219525 . . . . . . . 46 LEU CB . 51026 1 737 . 2 . 1 46 46 LEU N N 15 119.1607379 0.03264363383 . . . . . . . 46 LEU N . 51026 1 738 . 2 . 1 47 47 LEU H H 1 8.650947523 0.006773154775 . . . . . . . 47 LEU H . 51026 1 739 . 2 . 1 47 47 LEU C C 13 179.5146883 0.03255974025 . . . . . . . 47 LEU C . 51026 1 740 . 2 . 1 47 47 LEU CA C 13 57.38523957 0.02648042786 . . . . . . . 47 LEU CA . 51026 1 741 . 2 . 1 47 47 LEU CB C 13 40.40113145 0.03700725263 . . . . . . . 47 LEU CB . 51026 1 742 . 2 . 1 47 47 LEU N N 15 122.3993425 0.06238528324 . . . . . . . 47 LEU N . 51026 1 743 . 2 . 1 48 48 ALA H H 1 8.439956766 0.00658695919 . . . . . . . 48 ALA H . 51026 1 744 . 2 . 1 48 48 ALA C C 13 180.4372535 0.002384104155 . . . . . . . 48 ALA C . 51026 1 745 . 2 . 1 48 48 ALA CA C 13 55.08050964 0.04617370893 . . . . . . . 48 ALA CA . 51026 1 746 . 2 . 1 48 48 ALA CB C 13 17.58903432 0.0375536977 . . . . . . . 48 ALA CB . 51026 1 747 . 2 . 1 48 48 ALA N N 15 121.0543278 0.0283827724 . . . . . . . 48 ALA N . 51026 1 748 . 2 . 1 49 49 GLN H H 1 7.233869429 0.006392921648 . . . . . . . 49 GLN H . 51026 1 749 . 2 . 1 49 49 GLN C C 13 177.5792496 0.02116036454 . . . . . . . 49 GLN C . 51026 1 750 . 2 . 1 49 49 GLN CA C 13 55.90271894 0.04049014161 . . . . . . . 49 GLN CA . 51026 1 751 . 2 . 1 49 49 GLN CB C 13 26.13143764 0 . . . . . . . 49 GLN CB . 51026 1 752 . 2 . 1 49 49 GLN N N 15 114.5240298 0.04919051335 . . . . . . . 49 GLN N . 51026 1 753 . 2 . 1 50 50 THR H H 1 7.444141099 0.01234633517 . . . . . . . 50 THR H . 51026 1 754 . 2 . 1 50 50 THR C C 13 177.0608634 0 . . . . . . . 50 THR C . 51026 1 755 . 2 . 1 50 50 THR CA C 13 65.16506236 0.01284227378 . . . . . . . 50 THR CA . 51026 1 756 . 2 . 1 50 50 THR CB C 13 68.8138378 0.07530138958 . . . . . . . 50 THR CB . 51026 1 757 . 2 . 1 50 50 THR N N 15 109.847389 0.07211400951 . . . . . . . 50 THR N . 51026 1 758 . 2 . 1 51 51 LEU H H 1 6.950663144 0.01123784436 . . . . . . . 51 LEU H . 51026 1 759 . 2 . 1 51 51 LEU C C 13 176.4215283 0.04071773142 . . . . . . . 51 LEU C . 51026 1 760 . 2 . 1 51 51 LEU CA C 13 55.6142726 0.0177987096 . . . . . . . 51 LEU CA . 51026 1 761 . 2 . 1 51 51 LEU CB C 13 39.14970003 0.08355643932 . . . . . . . 51 LEU CB . 51026 1 762 . 2 . 1 51 51 LEU N N 15 118.018747 0.04366604392 . . . . . . . 51 LEU N . 51026 1 763 . 2 . 1 52 52 ALA H H 1 6.993894421 0.0066545978 . . . . . . . 52 ALA H . 51026 1 764 . 2 . 1 52 52 ALA C C 13 177.4644966 0.01278183028 . . . . . . . 52 ALA C . 51026 1 765 . 2 . 1 52 52 ALA CA C 13 52.99232794 0.01383589163 . . . . . . . 52 ALA CA . 51026 1 766 . 2 . 1 52 52 ALA CB C 13 16.90816446 0.09224702669 . . . . . . . 52 ALA CB . 51026 1 767 . 2 . 1 52 52 ALA N N 15 119.6680793 0.04259181332 . . . . . . . 52 ALA N . 51026 1 768 . 2 . 1 53 53 TYR H H 1 7.467560903 0.006954806319 . . . . . . . 53 TYR H . 51026 1 769 . 2 . 1 53 53 TYR C C 13 174.6452249 0.01193711929 . . . . . . . 53 TYR C . 51026 1 770 . 2 . 1 53 53 TYR CA C 13 57.85403962 0.0238296399 . . . . . . . 53 TYR CA . 51026 1 771 . 2 . 1 53 53 TYR CB C 13 41.68865856 0.03988998248 . . . . . . . 53 TYR CB . 51026 1 772 . 2 . 1 53 53 TYR N N 15 112.8933173 0.05776387409 . . . . . . . 53 TYR N . 51026 1 773 . 2 . 1 54 54 ILE H H 1 7.714680614 0.006263103787 . . . . . . . 54 ILE H . 51026 1 774 . 2 . 1 54 54 ILE C C 13 173.1935989 0 . . . . . . . 54 ILE C . 51026 1 775 . 2 . 1 54 54 ILE CA C 13 57.33048732 0 . . . . . . . 54 ILE CA . 51026 1 776 . 2 . 1 54 54 ILE CB C 13 39.8800094 0 . . . . . . . 54 ILE CB . 51026 1 777 . 2 . 1 54 54 ILE N N 15 119.2369423 0.04469691943 . . . . . . . 54 ILE N . 51026 1 778 . 2 . 1 55 55 PRO C C 13 177.2637015 0.007261640721 . . . . . . . 55 PRO C . 51026 1 779 . 2 . 1 55 55 PRO CA C 13 62.92646456 0.0107285575 . . . . . . . 55 PRO CA . 51026 1 780 . 2 . 1 55 55 PRO CB C 13 32.10772807 0.08870257741 . . . . . . . 55 PRO CB . 51026 1 781 . 2 . 1 56 56 THR H H 1 9.007452908 0.007533151678 . . . . . . . 56 THR H . 51026 1 782 . 2 . 1 56 56 THR C C 13 176.306125 0 . . . . . . . 56 THR C . 51026 1 783 . 2 . 1 56 56 THR CA C 13 66.5101425 0.02688022958 . . . . . . . 56 THR CA . 51026 1 784 . 2 . 1 56 56 THR CB C 13 67.81727442 0.06660842639 . . . . . . . 56 THR CB . 51026 1 785 . 2 . 1 56 56 THR N N 15 123.4568263 0.06485248608 . . . . . . . 56 THR N . 51026 1 786 . 2 . 1 57 57 GLY H H 1 10.05587344 0.009127108236 . . . . . . . 57 GLY H . 51026 1 787 . 2 . 1 57 57 GLY C C 13 175.0805942 0.01041690279 . . . . . . . 57 GLY C . 51026 1 788 . 2 . 1 57 57 GLY CA C 13 47.21483187 0.01108121237 . . . . . . . 57 GLY CA . 51026 1 789 . 2 . 1 57 57 GLY N N 15 106.8897911 0.07699886379 . . . . . . . 57 GLY N . 51026 1 790 . 2 . 1 58 58 ILE H H 1 6.505383037 0.007532332306 . . . . . . . 58 ILE H . 51026 1 791 . 2 . 1 58 58 ILE C C 13 176.9051761 0.03933566945 . . . . . . . 58 ILE C . 51026 1 792 . 2 . 1 58 58 ILE CA C 13 64.50612918 0.02018931674 . . . . . . . 58 ILE CA . 51026 1 793 . 2 . 1 58 58 ILE CB C 13 37.33269602 0.05147225641 . . . . . . . 58 ILE CB . 51026 1 794 . 2 . 1 58 58 ILE N N 15 117.8777337 0.05650362157 . . . . . . . 58 ILE N . 51026 1 795 . 2 . 1 59 59 ALA H H 1 8.064733808 0.007819649034 . . . . . . . 59 ALA H . 51026 1 796 . 2 . 1 59 59 ALA C C 13 178.2301572 0.0417259909 . . . . . . . 59 ALA C . 51026 1 797 . 2 . 1 59 59 ALA CA C 13 55.51751985 0.04329041618 . . . . . . . 59 ALA CA . 51026 1 798 . 2 . 1 59 59 ALA CB C 13 17.11365877 0.04174687724 . . . . . . . 59 ALA CB . 51026 1 799 . 2 . 1 59 59 ALA N N 15 121.8717245 0.05031936854 . . . . . . . 59 ALA N . 51026 1 800 . 2 . 1 60 60 TYR H H 1 8.710153907 0.009034233553 . . . . . . . 60 TYR H . 51026 1 801 . 2 . 1 60 60 TYR C C 13 177.0843368 0.01074151371 . . . . . . . 60 TYR C . 51026 1 802 . 2 . 1 60 60 TYR CA C 13 61.68950454 0.01953355976 . . . . . . . 60 TYR CA . 51026 1 803 . 2 . 1 60 60 TYR CB C 13 40.31037553 0.03183530241 . . . . . . . 60 TYR CB . 51026 1 804 . 2 . 1 60 60 TYR N N 15 117.2575514 0.1125532465 . . . . . . . 60 TYR N . 51026 1 805 . 2 . 1 61 61 ALA H H 1 8.071273963 0.01043697383 . . . . . . . 61 ALA H . 51026 1 806 . 2 . 1 61 61 ALA C C 13 179.7104621 0.0265334317 . . . . . . . 61 ALA C . 51026 1 807 . 2 . 1 61 61 ALA CA C 13 55.22716079 0.003599847063 . . . . . . . 61 ALA CA . 51026 1 808 . 2 . 1 61 61 ALA CB C 13 17.77503163 0.09518737303 . . . . . . . 61 ALA CB . 51026 1 809 . 2 . 1 61 61 ALA N N 15 118.0516634 0.05825875564 . . . . . . . 61 ALA N . 51026 1 810 . 2 . 1 62 62 ILE H H 1 8.535397756 0.006885367247 . . . . . . . 62 ILE H . 51026 1 811 . 2 . 1 62 62 ILE C C 13 177.1489604 0.004506704402 . . . . . . . 62 ILE C . 51026 1 812 . 2 . 1 62 62 ILE CA C 13 66.06926435 0.0120577863 . . . . . . . 62 ILE CA . 51026 1 813 . 2 . 1 62 62 ILE CB C 13 36.96443841 0.0006418295459 . . . . . . . 62 ILE CB . 51026 1 814 . 2 . 1 62 62 ILE N N 15 117.0348098 0.08290487208 . . . . . . . 62 ILE N . 51026 1 815 . 2 . 1 63 63 TRP H H 1 8.766756588 0.00754809555 . . . . . . . 63 TRP H . 51026 1 816 . 2 . 1 63 63 TRP C C 13 180.0670696 0.00326958891 . . . . . . . 63 TRP C . 51026 1 817 . 2 . 1 63 63 TRP CA C 13 59.8251436 0.06586369113 . . . . . . . 63 TRP CA . 51026 1 818 . 2 . 1 63 63 TRP CB C 13 28.0292472 0 . . . . . . . 63 TRP CB . 51026 1 819 . 2 . 1 63 63 TRP N N 15 121.8223016 0.04715494532 . . . . . . . 63 TRP N . 51026 1 820 . 2 . 1 64 64 VAL H H 1 8.355540679 0.006184927217 . . . . . . . 64 VAL H . 51026 1 821 . 2 . 1 64 64 VAL C C 13 178.6612715 0.01759776132 . . . . . . . 64 VAL C . 51026 1 822 . 2 . 1 64 64 VAL CA C 13 63.91319072 0.02655482449 . . . . . . . 64 VAL CA . 51026 1 823 . 2 . 1 64 64 VAL CB C 13 30.98224548 0.08842450697 . . . . . . . 64 VAL CB . 51026 1 824 . 2 . 1 64 64 VAL N N 15 116.7896614 0.05613908773 . . . . . . . 64 VAL N . 51026 1 825 . 2 . 1 65 65 GLY H H 1 8.546144574 0.007485241202 . . . . . . . 65 GLY H . 51026 1 826 . 2 . 1 65 65 GLY C C 13 174.8804547 0.01775387945 . . . . . . . 65 GLY C . 51026 1 827 . 2 . 1 65 65 GLY CA C 13 47.05682313 0.02916916127 . . . . . . . 65 GLY CA . 51026 1 828 . 2 . 1 65 65 GLY N N 15 108.2934759 0.0669002304 . . . . . . . 65 GLY N . 51026 1 829 . 2 . 1 66 66 VAL H H 1 9.04336917 0.006653904112 . . . . . . . 66 VAL H . 51026 1 830 . 2 . 1 66 66 VAL C C 13 177.9664839 0.01485236729 . . . . . . . 66 VAL C . 51026 1 831 . 2 . 1 66 66 VAL CA C 13 66.19089915 0.004540115101 . . . . . . . 66 VAL CA . 51026 1 832 . 2 . 1 66 66 VAL CB C 13 29.27916379 0 . . . . . . . 66 VAL CB . 51026 1 833 . 2 . 1 66 66 VAL N N 15 120.4869415 0.0420343216 . . . . . . . 66 VAL N . 51026 1 834 . 2 . 1 67 67 GLY H H 1 7.151541605 0.009978651328 . . . . . . . 67 GLY H . 51026 1 835 . 2 . 1 67 67 GLY C C 13 174.6287994 0.001556295971 . . . . . . . 67 GLY C . 51026 1 836 . 2 . 1 67 67 GLY CA C 13 47.40177627 0.01950952414 . . . . . . . 67 GLY CA . 51026 1 837 . 2 . 1 67 67 GLY N N 15 105.3483482 0.07855791208 . . . . . . . 67 GLY N . 51026 1 838 . 2 . 1 68 68 ILE H H 1 7.362497677 0.01537646825 . . . . . . . 68 ILE H . 51026 1 839 . 2 . 1 68 68 ILE C C 13 178.4799254 0.01374343204 . . . . . . . 68 ILE C . 51026 1 840 . 2 . 1 68 68 ILE CA C 13 62.9651277 0.01138407007 . . . . . . . 68 ILE CA . 51026 1 841 . 2 . 1 68 68 ILE CB C 13 35.92644629 0.05804228935 . . . . . . . 68 ILE CB . 51026 1 842 . 2 . 1 68 68 ILE N N 15 120.3905751 0.07223797959 . . . . . . . 68 ILE N . 51026 1 843 . 2 . 1 69 69 VAL H H 1 7.567738181 0.005527975514 . . . . . . . 69 VAL H . 51026 1 844 . 2 . 1 69 69 VAL C C 13 177.0204567 0.02755000287 . . . . . . . 69 VAL C . 51026 1 845 . 2 . 1 69 69 VAL CA C 13 66.8973894 0.01628274622 . . . . . . . 69 VAL CA . 51026 1 846 . 2 . 1 69 69 VAL CB C 13 30.7486258 0.07668859947 . . . . . . . 69 VAL CB . 51026 1 847 . 2 . 1 69 69 VAL N N 15 122.7675511 0.0368282225 . . . . . . . 69 VAL N . 51026 1 848 . 2 . 1 70 70 LEU H H 1 8.119081085 0.00584389311 . . . . . . . 70 LEU H . 51026 1 849 . 2 . 1 70 70 LEU C C 13 178.8488315 0.004920980912 . . . . . . . 70 LEU C . 51026 1 850 . 2 . 1 70 70 LEU CA C 13 57.89170942 0.03469150722 . . . . . . . 70 LEU CA . 51026 1 851 . 2 . 1 70 70 LEU CB C 13 41.00607883 0.04580673384 . . . . . . . 70 LEU CB . 51026 1 852 . 2 . 1 70 70 LEU N N 15 117.1202651 0.05394434271 . . . . . . . 70 LEU N . 51026 1 853 . 2 . 1 71 71 ILE H H 1 8.414258769 0.009121391601 . . . . . . . 71 ILE H . 51026 1 854 . 2 . 1 71 71 ILE C C 13 178.3883822 0.03157293504 . . . . . . . 71 ILE C . 51026 1 855 . 2 . 1 71 71 ILE CA C 13 64.48966541 0.01448753718 . . . . . . . 71 ILE CA . 51026 1 856 . 2 . 1 71 71 ILE CB C 13 36.8602957 0.05011916928 . . . . . . . 71 ILE CB . 51026 1 857 . 2 . 1 71 71 ILE N N 15 119.0418204 0.07055250137 . . . . . . . 71 ILE N . 51026 1 858 . 2 . 1 72 72 SER H H 1 7.963080635 0.006348928978 . . . . . . . 72 SER H . 51026 1 859 . 2 . 1 72 72 SER C C 13 176.4430783 0 . . . . . . . 72 SER C . 51026 1 860 . 2 . 1 72 72 SER CA C 13 63.28563026 0.7221741189 . . . . . . . 72 SER CA . 51026 1 861 . 2 . 1 72 72 SER N N 15 119.2300482 0.03640333659 . . . . . . . 72 SER N . 51026 1 862 . 2 . 1 73 73 LEU H H 1 8.130917614 0.006306528483 . . . . . . . 73 LEU H . 51026 1 863 . 2 . 1 73 73 LEU C C 13 179.3650286 0.004876599233 . . . . . . . 73 LEU C . 51026 1 864 . 2 . 1 73 73 LEU CA C 13 57.82829608 0.01793711671 . . . . . . . 73 LEU CA . 51026 1 865 . 2 . 1 73 73 LEU CB C 13 41.44663029 0.07765434088 . . . . . . . 73 LEU CB . 51026 1 866 . 2 . 1 73 73 LEU N N 15 120.8286791 0.07260825687 . . . . . . . 73 LEU N . 51026 1 867 . 2 . 1 74 74 LEU H H 1 8.593515876 0.006160738073 . . . . . . . 74 LEU H . 51026 1 868 . 2 . 1 74 74 LEU C C 13 179.2780373 0.01621711675 . . . . . . . 74 LEU C . 51026 1 869 . 2 . 1 74 74 LEU CA C 13 58.00322787 0.02151347635 . . . . . . . 74 LEU CA . 51026 1 870 . 2 . 1 74 74 LEU CB C 13 41.23866691 0.03034413275 . . . . . . . 74 LEU CB . 51026 1 871 . 2 . 1 74 74 LEU N N 15 119.9572463 0.04276176491 . . . . . . . 74 LEU N . 51026 1 872 . 2 . 1 75 75 SER H H 1 8.464298868 0.007069254761 . . . . . . . 75 SER H . 51026 1 873 . 2 . 1 75 75 SER C C 13 176.5934681 0 . . . . . . . 75 SER C . 51026 1 874 . 2 . 1 75 75 SER CA C 13 62.12409181 0.008427685521 . . . . . . . 75 SER CA . 51026 1 875 . 2 . 1 75 75 SER N N 15 117.0847688 0.05803295042 . . . . . . . 75 SER N . 51026 1 876 . 2 . 1 76 76 TRP H H 1 7.819953642 0.008725903314 . . . . . . . 76 TRP H . 51026 1 877 . 2 . 1 76 76 TRP C C 13 177.8760588 0.02474337969 . . . . . . . 76 TRP C . 51026 1 878 . 2 . 1 76 76 TRP CA C 13 58.93836289 0.02583436455 . . . . . . . 76 TRP CA . 51026 1 879 . 2 . 1 76 76 TRP CB C 13 28.45582487 0.02106937384 . . . . . . . 76 TRP CB . 51026 1 880 . 2 . 1 76 76 TRP N N 15 124.2307966 0.03794063643 . . . . . . . 76 TRP N . 51026 1 881 . 2 . 1 77 77 GLY H H 1 8.688517071 0.008258648803 . . . . . . . 77 GLY H . 51026 1 882 . 2 . 1 77 77 GLY C C 13 173.5028688 0.01590898514 . . . . . . . 77 GLY C . 51026 1 883 . 2 . 1 77 77 GLY CA C 13 46.72415103 0.03269637162 . . . . . . . 77 GLY CA . 51026 1 884 . 2 . 1 77 77 GLY N N 15 105.2703591 0.07418924948 . . . . . . . 77 GLY N . 51026 1 885 . 2 . 1 78 78 PHE H H 1 8.176129388 0.007997399938 . . . . . . . 78 PHE H . 51026 1 886 . 2 . 1 78 78 PHE C C 13 176.0614027 0.01822281513 . . . . . . . 78 PHE C . 51026 1 887 . 2 . 1 78 78 PHE CA C 13 58.2100235 0.007571938563 . . . . . . . 78 PHE CA . 51026 1 888 . 2 . 1 78 78 PHE CB C 13 40.07506105 0.02537753408 . . . . . . . 78 PHE CB . 51026 1 889 . 2 . 1 78 78 PHE N N 15 113.3518054 0.06737723562 . . . . . . . 78 PHE N . 51026 1 890 . 2 . 1 79 79 PHE H H 1 7.169923998 0.005615338075 . . . . . . . 79 PHE H . 51026 1 891 . 2 . 1 79 79 PHE C C 13 176.8931518 0.01233898209 . . . . . . . 79 PHE C . 51026 1 892 . 2 . 1 79 79 PHE CA C 13 56.64504209 0.007968123381 . . . . . . . 79 PHE CA . 51026 1 893 . 2 . 1 79 79 PHE CB C 13 38.75333001 0.06239069172 . . . . . . . 79 PHE CB . 51026 1 894 . 2 . 1 80 80 GLY H H 1 7.89771672 0.009226838279 . . . . . . . 80 GLY H . 51026 1 895 . 2 . 1 80 80 GLY C C 13 174.6173145 0.009565394659 . . . . . . . 80 GLY C . 51026 1 896 . 2 . 1 80 80 GLY CA C 13 46.41442586 0.02211033471 . . . . . . . 80 GLY CA . 51026 1 897 . 2 . 1 80 80 GLY N N 15 108.944639 0.04915093546 . . . . . . . 80 GLY N . 51026 1 898 . 2 . 1 81 81 GLN H H 1 7.738261568 0.007004303277 . . . . . . . 81 GLN H . 51026 1 899 . 2 . 1 81 81 GLN C C 13 174.9633059 0.01066766807 . . . . . . . 81 GLN C . 51026 1 900 . 2 . 1 81 81 GLN CA C 13 54.96592728 0.0179728498 . . . . . . . 81 GLN CA . 51026 1 901 . 2 . 1 81 81 GLN CB C 13 28.37215639 0.04370630479 . . . . . . . 81 GLN CB . 51026 1 902 . 2 . 1 81 81 GLN N N 15 120.5109709 0.04482078404 . . . . . . . 81 GLN N . 51026 1 903 . 2 . 1 82 82 ARG H H 1 8.234766359 0.008779120456 . . . . . . . 82 ARG H . 51026 1 904 . 2 . 1 82 82 ARG C C 13 176.5760498 0.003237698882 . . . . . . . 82 ARG C . 51026 1 905 . 2 . 1 82 82 ARG CA C 13 55.75639931 0.01816648955 . . . . . . . 82 ARG CA . 51026 1 906 . 2 . 1 82 82 ARG CB C 13 30.05477719 0.04260071171 . . . . . . . 82 ARG CB . 51026 1 907 . 2 . 1 82 82 ARG N N 15 124.0603862 0.03925900931 . . . . . . . 82 ARG N . 51026 1 908 . 2 . 1 83 83 LEU H H 1 8.084457447 0.01179649816 . . . . . . . 83 LEU H . 51026 1 909 . 2 . 1 83 83 LEU C C 13 174.6502498 0.0144684842 . . . . . . . 83 LEU C . 51026 1 910 . 2 . 1 83 83 LEU CA C 13 53.82569742 0.01079213945 . . . . . . . 83 LEU CA . 51026 1 911 . 2 . 1 83 83 LEU CB C 13 41.87990694 0.03739103223 . . . . . . . 83 LEU CB . 51026 1 912 . 2 . 1 83 83 LEU N N 15 124.3430065 0.04461644518 . . . . . . . 83 LEU N . 51026 1 913 . 2 . 1 84 84 ASP H H 1 7.428294655 0.00633183471 . . . . . . . 84 ASP H . 51026 1 914 . 2 . 1 84 84 ASP C C 13 175.2361927 0.0458979559 . . . . . . . 84 ASP C . 51026 1 915 . 2 . 1 84 84 ASP CA C 13 50.97730903 0.01523004554 . . . . . . . 84 ASP CA . 51026 1 916 . 2 . 1 84 84 ASP CB C 13 41.71801734 0.08454530454 . . . . . . . 84 ASP CB . 51026 1 917 . 2 . 1 84 84 ASP N N 15 120.5107978 0.04431252591 . . . . . . . 84 ASP N . 51026 1 918 . 2 . 1 85 85 LEU H H 1 8.719905378 0.006289757843 . . . . . . . 85 LEU H . 51026 1 919 . 2 . 1 85 85 LEU C C 13 175.9077684 0 . . . . . . . 85 LEU C . 51026 1 920 . 2 . 1 85 85 LEU CA C 13 59.27857388 0.03450288439 . . . . . . . 85 LEU CA . 51026 1 921 . 2 . 1 85 85 LEU CB C 13 38.10820528 0 . . . . . . . 85 LEU CB . 51026 1 922 . 2 . 1 85 85 LEU N N 15 118.7785801 0.07999292007 . . . . . . . 85 LEU N . 51026 1 923 . 2 . 1 86 86 PRO C C 13 177.5139454 0 . . . . . . . 86 PRO C . 51026 1 924 . 2 . 1 86 86 PRO CA C 13 66.24289217 0.0173550341 . . . . . . . 86 PRO CA . 51026 1 925 . 2 . 1 86 86 PRO CB C 13 30.59961544 0 . . . . . . . 86 PRO CB . 51026 1 926 . 2 . 1 87 87 ALA H H 1 7.507749277 0.007147408838 . . . . . . . 87 ALA H . 51026 1 927 . 2 . 1 87 87 ALA C C 13 179.3265804 0.014808862 . . . . . . . 87 ALA C . 51026 1 928 . 2 . 1 87 87 ALA CA C 13 55.42177466 0.05718116223 . . . . . . . 87 ALA CA . 51026 1 929 . 2 . 1 87 87 ALA CB C 13 17.29790815 0.08022598199 . . . . . . . 87 ALA CB . 51026 1 930 . 2 . 1 87 87 ALA N N 15 117.7041866 0.0726356614 . . . . . . . 87 ALA N . 51026 1 931 . 2 . 1 88 88 ILE H H 1 7.934606966 0.005884147041 . . . . . . . 88 ILE H . 51026 1 932 . 2 . 1 88 88 ILE C C 13 178.236905 0.01916474977 . . . . . . . 88 ILE C . 51026 1 933 . 2 . 1 88 88 ILE CA C 13 64.63244855 0.004683441359 . . . . . . . 88 ILE CA . 51026 1 934 . 2 . 1 88 88 ILE CB C 13 36.92952607 0.04753195222 . . . . . . . 88 ILE CB . 51026 1 935 . 2 . 1 88 88 ILE N N 15 117.9433151 0.06340116368 . . . . . . . 88 ILE N . 51026 1 936 . 2 . 1 89 89 ILE H H 1 8.651140075 0.006275268862 . . . . . . . 89 ILE H . 51026 1 937 . 2 . 1 89 89 ILE C C 13 178.3923564 0.03034249388 . . . . . . . 89 ILE C . 51026 1 938 . 2 . 1 89 89 ILE CA C 13 64.36463142 0.03219207022 . . . . . . . 89 ILE CA . 51026 1 939 . 2 . 1 89 89 ILE CB C 13 36.19650685 0.02133918321 . . . . . . . 89 ILE CB . 51026 1 940 . 2 . 1 89 89 ILE N N 15 119.5924886 0.02565692054 . . . . . . . 89 ILE N . 51026 1 941 . 2 . 1 90 90 GLY H H 1 8.852592236 0.008182827463 . . . . . . . 90 GLY H . 51026 1 942 . 2 . 1 90 90 GLY C C 13 175.628769 0.01867448861 . . . . . . . 90 GLY C . 51026 1 943 . 2 . 1 90 90 GLY CA C 13 47.65354665 0.02680481196 . . . . . . . 90 GLY CA . 51026 1 944 . 2 . 1 90 90 GLY N N 15 107.5576889 0.04736018407 . . . . . . . 90 GLY N . 51026 1 945 . 2 . 1 91 91 MET H H 1 8.511777609 0.006852390387 . . . . . . . 91 MET H . 51026 1 946 . 2 . 1 91 91 MET C C 13 178.4349054 0.02711419389 . . . . . . . 91 MET C . 51026 1 947 . 2 . 1 91 91 MET CA C 13 59.90777399 0.01361290839 . . . . . . . 91 MET CA . 51026 1 948 . 2 . 1 91 91 MET CB C 13 33.20399116 0.05519958603 . . . . . . . 91 MET CB . 51026 1 949 . 2 . 1 91 91 MET N N 15 119.7747395 0.05332163523 . . . . . . . 91 MET N . 51026 1 950 . 2 . 1 92 92 MET H H 1 8.381337161 0.007170193312 . . . . . . . 92 MET H . 51026 1 951 . 2 . 1 92 92 MET C C 13 177.9681308 0.01297351831 . . . . . . . 92 MET C . 51026 1 952 . 2 . 1 92 92 MET CA C 13 59.51954108 0.01243134874 . . . . . . . 92 MET CA . 51026 1 953 . 2 . 1 92 92 MET CB C 13 31.78618566 0.08320914584 . . . . . . . 92 MET CB . 51026 1 954 . 2 . 1 92 92 MET N N 15 119.5624087 0.04205420798 . . . . . . . 92 MET N . 51026 1 955 . 2 . 1 93 93 LEU H H 1 8.263405012 0.006638454586 . . . . . . . 93 LEU H . 51026 1 956 . 2 . 1 93 93 LEU C C 13 178.5243769 0.02992823153 . . . . . . . 93 LEU C . 51026 1 957 . 2 . 1 93 93 LEU CA C 13 49.09095869 9.143064426 . . . . . . . 93 LEU CA . 51026 1 958 . 2 . 1 93 93 LEU N N 15 119.5761859 0.05196454246 . . . . . . . 93 LEU N . 51026 1 959 . 2 . 1 94 94 ILE H H 1 7.807045363 0.00608677777 . . . . . . . 94 ILE H . 51026 1 960 . 2 . 1 94 94 ILE C C 13 177.758006 0.02941669595 . . . . . . . 94 ILE C . 51026 1 961 . 2 . 1 94 94 ILE CA C 13 65.29145866 0.04173621916 . . . . . . . 94 ILE CA . 51026 1 962 . 2 . 1 94 94 ILE CB C 13 37.30420278 0.08742362722 . . . . . . . 94 ILE CB . 51026 1 963 . 2 . 1 94 94 ILE N N 15 118.0651905 0.03539467169 . . . . . . . 94 ILE N . 51026 1 964 . 2 . 1 95 95 CYS H H 1 8.132744343 0.007162747372 . . . . . . . 95 CYS H . 51026 1 965 . 2 . 1 95 95 CYS C C 13 176.2147442 0.02283751745 . . . . . . . 95 CYS C . 51026 1 966 . 2 . 1 95 95 CYS CA C 13 64.28055449 0.01551927178 . . . . . . . 95 CYS CA . 51026 1 967 . 2 . 1 95 95 CYS CB C 13 26.33727141 0.06523673322 . . . . . . . 95 CYS CB . 51026 1 968 . 2 . 1 95 95 CYS N N 15 116.4566283 0.08404741064 . . . . . . . 95 CYS N . 51026 1 969 . 2 . 1 96 96 ALA H H 1 8.590053875 0.006836922955 . . . . . . . 96 ALA H . 51026 1 970 . 2 . 1 96 96 ALA C C 13 178.7526506 0.006616481891 . . . . . . . 96 ALA C . 51026 1 971 . 2 . 1 96 96 ALA CA C 13 54.87818719 0.01623351021 . . . . . . . 96 ALA CA . 51026 1 972 . 2 . 1 96 96 ALA CB C 13 17.02697145 0 . . . . . . . 96 ALA CB . 51026 1 973 . 2 . 1 96 96 ALA N N 15 120.256921 0.0582907032 . . . . . . . 96 ALA N . 51026 1 974 . 2 . 1 97 97 GLY H H 1 8.448660152 0.006784339412 . . . . . . . 97 GLY H . 51026 1 975 . 2 . 1 97 97 GLY C C 13 175.0033334 0.02531027424 . . . . . . . 97 GLY C . 51026 1 976 . 2 . 1 97 97 GLY CA C 13 48.6007909 0.03236031647 . . . . . . . 97 GLY CA . 51026 1 977 . 2 . 1 97 97 GLY N N 15 105.7215833 0.07362711984 . . . . . . . 97 GLY N . 51026 1 978 . 2 . 1 98 98 VAL H H 1 8.19122832 0.006533577421 . . . . . . . 98 VAL H . 51026 1 979 . 2 . 1 98 98 VAL C C 13 177.6118188 0.03177141663 . . . . . . . 98 VAL C . 51026 1 980 . 2 . 1 98 98 VAL CA C 13 66.78521887 0.01567175526 . . . . . . . 98 VAL CA . 51026 1 981 . 2 . 1 98 98 VAL CB C 13 30.75683937 0.06405265541 . . . . . . . 98 VAL CB . 51026 1 982 . 2 . 1 98 98 VAL N N 15 120.3073666 0.04491221384 . . . . . . . 98 VAL N . 51026 1 983 . 2 . 1 99 99 LEU H H 1 8.0237891 0.007496881266 . . . . . . . 99 LEU H . 51026 1 984 . 2 . 1 99 99 LEU C C 13 178.2534092 0.01234655617 . . . . . . . 99 LEU C . 51026 1 985 . 2 . 1 99 99 LEU CA C 13 58.18112466 0.02631255938 . . . . . . . 99 LEU CA . 51026 1 986 . 2 . 1 99 99 LEU CB C 13 41.07458402 0.02860562778 . . . . . . . 99 LEU CB . 51026 1 987 . 2 . 1 99 99 LEU N N 15 119.6506085 0.05084669177 . . . . . . . 99 LEU N . 51026 1 988 . 2 . 1 100 100 ILE H H 1 8.402766461 0.006535448185 . . . . . . . 100 ILE H . 51026 1 989 . 2 . 1 100 100 ILE C C 13 177.7389353 0.02722982586 . . . . . . . 100 ILE C . 51026 1 990 . 2 . 1 100 100 ILE CA C 13 65.69277263 0.01140510953 . . . . . . . 100 ILE CA . 51026 1 991 . 2 . 1 100 100 ILE CB C 13 36.56235786 0.07244223076 . . . . . . . 100 ILE CB . 51026 1 992 . 2 . 1 100 100 ILE N N 15 119.1318524 0.08529091847 . . . . . . . 100 ILE N . 51026 1 993 . 2 . 1 101 101 ILE H H 1 7.782706401 0.008034988996 . . . . . . . 101 ILE H . 51026 1 994 . 2 . 1 101 101 ILE C C 13 177.5495071 0.02083351187 . . . . . . . 101 ILE C . 51026 1 995 . 2 . 1 101 101 ILE CA C 13 65.78168211 0.02005028901 . . . . . . . 101 ILE CA . 51026 1 996 . 2 . 1 101 101 ILE CB C 13 37.5790235 0.04807555919 . . . . . . . 101 ILE CB . 51026 1 997 . 2 . 1 101 101 ILE N N 15 118.5304961 0.07919545077 . . . . . . . 101 ILE N . 51026 1 998 . 2 . 1 102 102 ASN H H 1 8.114862457 0.008395401157 . . . . . . . 102 ASN H . 51026 1 999 . 2 . 1 102 102 ASN C C 13 176.4772324 0.03742348195 . . . . . . . 102 ASN C . 51026 1 1000 . 2 . 1 102 102 ASN CA C 13 56.59216905 0.01328038787 . . . . . . . 102 ASN CA . 51026 1 1001 . 2 . 1 102 102 ASN CB C 13 39.63910902 0.01585512922 . . . . . . . 102 ASN CB . 51026 1 1002 . 2 . 1 102 102 ASN N N 15 115.1320178 0.05021474665 . . . . . . . 102 ASN N . 51026 1 1003 . 2 . 1 103 103 LEU H H 1 8.466594513 0.00716276676 . . . . . . . 103 LEU H . 51026 1 1004 . 2 . 1 103 103 LEU C C 13 178.2237696 0.01743011385 . . . . . . . 103 LEU C . 51026 1 1005 . 2 . 1 103 103 LEU CA C 13 56.15471515 0.04543076899 . . . . . . . 103 LEU CA . 51026 1 1006 . 2 . 1 103 103 LEU CB C 13 42.17109581 0.08861302162 . . . . . . . 103 LEU CB . 51026 1 1007 . 2 . 1 103 103 LEU N N 15 114.581541 0.04682548581 . . . . . . . 103 LEU N . 51026 1 1008 . 2 . 1 104 104 LEU H H 1 7.810988678 0.004633333142 . . . . . . . 104 LEU H . 51026 1 1009 . 2 . 1 104 104 LEU C C 13 177.0823063 0 . . . . . . . 104 LEU C . 51026 1 1010 . 2 . 1 104 104 LEU CA C 13 54.65253638 0.02978167804 . . . . . . . 104 LEU CA . 51026 1 1011 . 2 . 1 104 104 LEU CB C 13 43.67184119 0.06384642865 . . . . . . . 104 LEU CB . 51026 1 1012 . 2 . 1 104 104 LEU N N 15 114.2712033 0.06453468423 . . . . . . . 104 LEU N . 51026 1 1013 . 2 . 1 105 105 SER H H 1 7.459212812 0.005848472103 . . . . . . . 105 SER H . 51026 1 1014 . 2 . 1 105 105 SER C C 13 176.4588717 0 . . . . . . . 105 SER C . 51026 1 1015 . 2 . 1 105 105 SER CA C 13 58.14023653 0.005181863005 . . . . . . . 105 SER CA . 51026 1 1016 . 2 . 1 105 105 SER CB C 13 63.96401444 0.04803205148 . . . . . . . 105 SER CB . 51026 1 1017 . 2 . 1 105 105 SER N N 15 111.7177691 0.0415300353 . . . . . . . 105 SER N . 51026 1 1018 . 2 . 1 106 106 ARG H H 1 10.10652898 0.007232998474 . . . . . . . 106 ARG H . 51026 1 1019 . 2 . 1 106 106 ARG C C 13 177.0994195 0.02646581828 . . . . . . . 106 ARG C . 51026 1 1020 . 2 . 1 106 106 ARG CA C 13 54.94439456 0.02940081672 . . . . . . . 106 ARG CA . 51026 1 1021 . 2 . 1 106 106 ARG CB C 13 29.27216872 0.07006558821 . . . . . . . 106 ARG CB . 51026 1 1022 . 2 . 1 106 106 ARG N N 15 129.5543852 0.05845976986 . . . . . . . 106 ARG N . 51026 1 1023 . 2 . 1 107 107 SER H H 1 8.533477205 0.006555047526 . . . . . . . 107 SER H . 51026 1 1024 . 2 . 1 107 107 SER C C 13 173.4409198 0 . . . . . . . 107 SER C . 51026 1 1025 . 2 . 1 107 107 SER CA C 13 59.81622393 0.005871191309 . . . . . . . 107 SER CA . 51026 1 1026 . 2 . 1 107 107 SER CB C 13 63.23076904 0.01180550185 . . . . . . . 107 SER CB . 51026 1 1027 . 2 . 1 107 107 SER N N 15 117.5695669 0.08701047138 . . . . . . . 107 SER N . 51026 1 1028 . 2 . 1 108 108 THR H H 1 7.52303354 0.008605997632 . . . . . . . 108 THR H . 51026 1 1029 . 2 . 1 108 108 THR C C 13 172.479402 0 . . . . . . . 108 THR C . 51026 1 1030 . 2 . 1 108 108 THR CA C 13 58.29701693 0 . . . . . . . 108 THR CA . 51026 1 1031 . 2 . 1 108 108 THR CB C 13 69.32005126 0 . . . . . . . 108 THR CB . 51026 1 1032 . 2 . 1 108 108 THR N N 15 114.1451368 0.04131124306 . . . . . . . 108 THR N . 51026 1 1033 . 2 . 1 109 109 PRO C C 13 175.7658484 0.002358258993 . . . . . . . 109 PRO C . 51026 1 1034 . 2 . 1 109 109 PRO CA C 13 63.11672662 0.01484507395 . . . . . . . 109 PRO CA . 51026 1 1035 . 2 . 1 109 109 PRO CB C 13 31.07750275 0.05707437577 . . . . . . . 109 PRO CB . 51026 1 1036 . 2 . 1 110 110 HIS H H 1 7.761562157 0.00858113453 . . . . . . . 110 HIS H . 51026 1 1037 . 2 . 1 110 110 HIS C C 13 178.4578626 0 . . . . . . . 110 HIS C . 51026 1 1038 . 2 . 1 110 110 HIS CA C 13 56.61122267 0 . . . . . . . 110 HIS CA . 51026 1 1039 . 2 . 1 110 110 HIS CB C 13 29.5325543 0 . . . . . . . 110 HIS CB . 51026 1 1040 . 2 . 1 110 110 HIS N N 15 123.5279262 0.04358027298 . . . . . . . 110 HIS N . 51026 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 51026 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 899.7540283 6.706011368 11.97925258 circular true true 2 ppm 15N 91.18199921 35.03858182 136.0453009 circular true false 3 ppm 13C 226.2550049 28.69994351 70.09220885 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 329 341 1318019448 . 52828980 . 8.15760227 . 121.0776496 . 54.81304341 . A 1 MET H% A 1 MET N A 1 MET CA 157 160 1835358916 . 76459368 . 8.286504198 . 122.6684544 . 51.69896095 . A 2 ASN H A 2 ASN N A 2 ASN CA 156 159 1030473614 . 43147612 . 8.286042669 . 122.682821 . 54.79748446 . A 2 ASN H A 2 ASN N A 1 MET CA 297 309 290055080 . 11773723 . 8.419466622 . 116.6690774 . 61.85422314 . A 4 TYR H A 4 TYR N A 4 TYR CA 298 310 92174405.5 . 3784145.25 . 8.412249079 . 116.6608838 . 64.55531255 . A 4 TYR H A 4 TYR N A 3 PRO CA 139 142 334375398 . 13832632 . 7.827424231 . 120.6809866 . 64.31118183 . A 5 ILE H A 5 ILE N A 5 ILE CA 138 141 121194845.5 . 4905404 . 7.82328344 . 120.6894864 . 61.83155876 . A 5 ILE H A 5 ILE N A 4 TYR CA 77 80 337252068 . 13735593 . 6.791900302 . 118.599696 . 61.07749607 . A 6 TYR H A 6 TYR N A 6 TYR CA 76 79 100326755.5 . 4159776.25 . 6.789876192 . 118.4896702 . 64.33081364 . A 6 TYR H A 6 TYR N A 5 ILE CA 153 156 362141384 . 14301357 . 7.713584768 . 118.7652726 . 57.2389618 . A 7 LEU H A 7 LEU N A 7 LEU CA 152 155 170839134 . 7007556 . 7.711533395 . 118.8413552 . 61.06616923 . A 7 LEU H A 7 LEU N A 6 TYR CA 132 135 117899110 . 4850815 . 8.418230226 . 105.3076478 . 57.2458581 . A 8 GLY H A 8 GLY N A 7 LEU CA 133 136 427281495 . 17935490 . 8.419161677 . 105.3486848 . 47.20163268 . A 8 GLY H A 8 GLY N A 8 GLY CA 169 173 357276851 . 14651844 . 8.359230124 . 107.6299794 . 47.32903102 . A 9 GLY H A 9 GLY N A 9 GLY CA 302 314 381887786 . 15733777 . 8.403688486 . 125.7834441 . 55.28077024 . A 10 ALA H A 10 ALA N A 10 ALA CA 301 313 171807252 . 7191571.5 . 8.403051742 . 125.769632 . 47.36884395 . A 10 ALA H A 10 ALA N A 9 GLY CA 154 157 221912794.5 . 9093604 . 7.682634169 . 120.6493397 . 64.08555735 . A 11 ILE H A 11 ILE N A 11 ILE CA 155 158 108196853.5 . 4204621.5 . 7.682958609 . 120.6183986 . 55.21346594 . A 11 ILE H A 11 ILE N A 10 ALA CA 219 226 223945811 . 9033677 . 7.795098927 . 118.5254642 . 57.40250228 . A 12 LEU H A 12 LEU N A 12 LEU CA 220 227 100023704.2 . 4182161 . 7.797301845 . 118.468484 . 64.0735508 . A 12 LEU H A 12 LEU N A 11 ILE CA 231 238 606668378 . 25238632 . 8.420847268 . 118.4315901 . 55.25793926 . A 13 ALA H A 13 ALA N A 13 ALA CA 230 237 198997420 . 8229720.5 . 8.421794931 . 118.3982204 . 57.37953797 . A 13 ALA H A 13 ALA N A 12 LEU CA 126 129 504208542 . 20695624 . 7.654783903 . 119.3572464 . 61.06940573 . A 14 GLU H A 14 GLU N A 14 GLU CA 125 128 214718977 . 8773909 . 7.652487179 . 119.3227502 . 55.24287718 . A 14 GLU H A 14 GLU N A 13 ALA CA 384 396 66843725 . 2654107.5 . 8.69811518 . 117.3893012 . 61.09341894 . A 15 VAL H A 15 VAL N A 14 GLU CA 383 395 249570056 . 10275329 . 8.701765876 . 117.3150097 . 65.64341244 . A 15 VAL H A 15 VAL N A 15 VAL CA 212 219 176111417.5 . 7253985.5 . 8.447585217 . 122.7707806 . 65.61299588 . A 16 ILE H A 16 ILE N A 15 VAL CA 213 220 500907257 . 20560104 . 8.449418648 . 122.7593777 . 65.05939815 . A 16 ILE H A 16 ILE N A 16 ILE CA 28 28 463628865 . 19488408 . 8.515456594 . 111.2076281 . 48.03664479 . A 17 GLY H A 17 GLY N A 17 GLY CA 29 29 153589137 . 6454989.5 . 8.517033948 . 111.1907952 . 65.04172849 . A 17 GLY H A 17 GLY N A 16 ILE CA 382 394 72370009.5 . 2936768.25 . 7.923873223 . 120.6539821 . 67.60480485 . A 19 THR H A 19 THR N A 19 THR CA 195 201 91683819.25 . 3757123 . 8.567257097 . 122.8144034 . 67.61280712 . A 20 LEU H A 20 LEU N A 19 THR CA 194 200 580202654 . 24136132 . 8.568671871 . 122.8689949 . 57.94043709 . A 20 LEU H A 20 LEU N A 20 LEU CA 246 253 165679134 . 6903768 . 8.336466712 . 121.2402692 . 57.94100671 . A 21 MET H A 21 MET N A 20 LEU CA 245 252 520590862 . 21092882 . 8.335815201 . 121.186504 . 58.76657212 . A 21 MET H A 21 MET N A 21 MET CA 358 370 836557608 . 34891012 . 7.615135906 . 125.3063953 . 59.81793612 . A 22 LYS H A 22 LYS N A 22 LYS CA 357 369 244371056 . 10223141 . 7.614086548 . 125.2653705 . 58.73097356 . A 22 LYS H A 22 LYS N A 21 MET CA 124 127 243526187 . 10063723 . 7.335082282 . 119.0275663 . 59.7884312 . A 23 PHE H A 23 PHE N A 22 LYS CA 123 126 687700766 . 28156818 . 7.335769745 . 119.0656541 . 60.28763647 . A 23 PHE H A 23 PHE N A 23 PHE CA 129 132 774574830 . 32001594 . 7.947575527 . 113.5088301 . 60.33108812 . A 24 SER H A 24 SER N A 24 SER CA 224 231 1207751936 . 50364080 . 7.650174262 . 121.3357496 . 56.0300925 . A 25 GLU H A 25 GLU N A 25 GLU CA 225 232 360206335 . 15018376 . 7.65026163 . 121.3214201 . 60.33786866 . A 25 GLU H A 25 GLU N A 24 SER CA 4 4 169913295 . 7115050 . 9.190545066 . 111.9419611 . 56.01375061 . A 26 GLY H A 26 GLY N A 25 GLU CA 3 3 641302604 . 26759180 . 9.188781722 . 111.9361969 . 46.0794792 . A 26 GLY H A 26 GLY N A 26 GLY CA 185 190 501690683 . 20663134 . 7.96452939 . 112.9437451 . 59.82340807 . A 27 PHE H A 27 PHE N A 27 PHE CA 184 189 247614610 . 10305234 . 7.964999114 . 112.8962952 . 46.07294744 . A 27 PHE H A 27 PHE N A 26 GLY CA 105 108 225449682 . 8959513 . 7.527620303 . 102.4263201 . 62.06117208 . A 28 THR H A 28 THR N A 28 THR CA 389 401 66236841.75 . 2760139.5 . 7.526575985 . 102.5952588 . 59.9107012 . A 28 THR H A 28 THR N A 27 PHE CA 258 265 98851952 . 4111712.75 . 7.479862151 . 119.9762969 . 62.03699868 . A 29 ARG H A 29 ARG N A 28 THR CA 257 264 427323505 . 17446162 . 7.477177432 . 120.00357 . 54.10174581 . A 29 ARG H A 29 ARG N A 29 ARG CA 93 96 486672731 . 20377876 . 9.033151559 . 130.9591609 . 54.07188572 . A 30 LEU H A 30 LEU N A 29 ARG CA 92 95 573381204 . 24012788 . 9.033506076 . 130.9548947 . 59.83578189 . A 30 LEU H A 30 LEU N A 30 LEU CA 2 2 501203626 . 21001388 . 9.243070348 . 118.9626363 . 59.82029937 . A 31 TRP H A 31 TRP N A 30 LEU CA 1 1 1494005852 . 62397988 . 9.243334469 . 118.9561373 . 61.73267155 . A 31 TRP H A 31 TRP N A 31 TRP CA 114 117 138137673 . 5760147.5 . 7.195553574 . 113.7294709 . 65.37840731 . A 33 SER H A 33 SER N A 32 PRO CA 115 118 346060297 . 14168614 . 7.194366164 . 113.8216902 . 63.77981827 . A 33 SER H A 33 SER N A 33 SER CA 280 290 230592142 . 9265904 . 8.375250287 . 121.9944604 . 63.78041545 . A 34 VAL H A 34 VAL N A 33 SER CA 281 291 838937908 . 33846372 . 8.377279042 . 121.9944604 . 66.56995376 . A 34 VAL H A 34 VAL N A 34 VAL CA 136 139 587966294 . 24440118 . 8.699764863 . 106.2546085 . 47.99352145 . A 35 GLY H A 35 GLY N A 35 GLY CA 137 140 177202582.5 . 7394143 . 8.699250085 . 106.2452584 . 66.53844 . A 35 GLY H A 35 GLY N A 34 VAL CA 342 354 178020424 . 7330992.5 . 8.506264609 . 121.679207 . 47.98496834 . A 36 THR H A 36 THR N A 35 GLY CA 343 355 291949380 . 11985528 . 8.506914478 . 121.6566845 . 68.84109526 . A 36 THR H A 36 THR N A 36 THR CA 310 322 125689007 . 5153782 . 7.614714616 . 119.3822289 . 68.84000634 . A 37 ILE H A 37 ILE N A 36 THR CA 309 321 563282222 . 23225254 . 7.615407578 . 119.4135431 . 65.69250645 . A 37 ILE H A 37 ILE N A 37 ILE CA 239 246 639700368 . 26286036 . 8.536000876 . 119.8141942 . 65.71871088 . A 38 ILE H A 38 ILE N A 38 ILE CA 39 39 397441825 . 16334352 . 8.298379177 . 117.7246222 . 65.29834784 . A 39 CYS H A 39 CYS N A 39 CYS CA 151 154 300702554 . 12275740 . 8.96835361 . 119.5537562 . 58.31457179 . A 40 TYR H A 40 TYR N A 40 TYR CA 150 153 93694646.75 . 3913700.25 . 8.970156106 . 119.5653588 . 65.22935511 . A 40 TYR H A 40 TYR N A 39 CYS CA 50 51 332690883 . 13623268 . 8.73955064 . 119.0233323 . 65.43595505 . A 41 CYS H A 41 CYS N A 41 CYS CA 48 48 1090795676 . 44726012 . 8.739985512 . 118.8986934 . 58.21734586 . A 41 CYS H A 41 CYS N A 40 TYR CA 99 102 215819456.5 . 9008841 . 8.424317893 . 120.7511994 . 65.41771097 . A 42 ALA H A 42 ALA N A 41 CYS CA 96 99 787221364 . 32083626 . 8.423557109 . 120.7066068 . 55.14126806 . A 42 ALA H A 42 ALA N A 42 ALA CA 26 26 229856026 . 9439963 . 8.524081478 . 111.5356417 . 55.11831073 . A 43 SER H A 43 SER N A 42 ALA CA 27 27 349367361 . 14474148 . 8.523820274 . 111.5426194 . 62.69097072 . A 43 SER H A 43 SER N A 43 SER CA 331 343 354330548 . 14417903 . 8.627341099 . 115.732863 . 62.62005744 . A 44 PHE H A 44 PHE N A 44 PHE CA 98 101 641899286 . 26280674 . 8.418784985 . 121.0438553 . 62.40252816 . A 45 TRP H A 45 TRP N A 45 TRP CA 292 303 178296835 . 7381531.5 . 8.685340859 . 119.7429539 . 62.32917844 . A 46 LEU H A 46 LEU N A 45 TRP CA 56 57 507753922 . 20915736 . 8.685081594 . 119.7738885 . 58.0986148 . A 46 LEU H A 46 LEU N A 46 LEU CA 290 301 101573884 . 4081851.25 . 8.831405015 . 121.2541049 . 58.04465804 . A 47 LEU H A 47 LEU N A 46 LEU CA 291 302 312355163 . 12884533 . 8.826477764 . 121.2163389 . 57.43726864 . A 47 LEU H A 47 LEU N A 47 LEU CA 233 240 712709780 . 28359902 . 8.379980736 . 122.8170275 . 54.68687328 . A 48 ALA H A 48 ALA N A 48 ALA CA 232 239 156591553.5 . 6387180.5 . 8.37407942 . 122.8565136 . 57.43574535 . A 48 ALA H A 48 ALA N A 47 LEU CA 80 83 515104023 . 21363034 . 7.150627015 . 113.4338082 . 55.78935672 . A 49 GLN H A 49 GLN N A 49 GLN CA 81 84 201748770.5 . 8343240 . 7.152707629 . 113.422008 . 54.64039993 . A 49 GLN H A 49 GLN N A 48 ALA CA 395 407 181750057 . 7424649 . 7.851330253 . 109.6579391 . 64.23417435 . A 50 THR H A 50 THR N A 50 THR CA 396 408 52562057.88 . 2191602 . 7.855770803 . 109.6237988 . 55.83650373 . A 50 THR H A 50 THR N A 49 GLN CA 370 382 500411011 . 20488796 . 7.216683321 . 121.6429601 . 56.82795101 . A 51 LEU H A 51 LEU N A 51 LEU CA 217 224 399625106 . 16207421 . 7.749467963 . 118.5225689 . 52.90232645 . A 52 ALA H A 52 ALA N A 52 ALA CA 218 225 106077826.2 . 4434349 . 7.746206622 . 118.6122749 . 56.81822632 . A 52 ALA H A 52 ALA N A 51 LEU CA 46 46 436642787 . 18113158 . 7.634511865 . 113.8599551 . 58.31962003 . A 53 TYR H A 53 TYR N A 53 TYR CA 47 47 152004751 . 6323978 . 7.633214289 . 113.8740926 . 52.89553873 . A 53 TYR H A 53 TYR N A 52 ALA CA 284 294 707659466 . 29421252 . 7.839287979 . 119.7350498 . 57.71210131 . A 54 ILE H A 54 ILE N A 54 ILE CA 283 293 179918228.5 . 7371841.5 . 7.839779548 . 119.745175 . 58.30831725 . A 54 ILE H A 54 ILE N A 53 TYR CA 165 168 635655070 . 26267260 . 8.461472188 . 119.4352464 . 62.54429879 . A 56 THR H A 56 THR N A 55 PRO CA 166 169 767432542 . 31711060 . 8.461529509 . 119.4533814 . 66.13248934 . A 56 THR H A 56 THR N A 56 THR CA 174 179 485961562 . 20258838 . 9.009073509 . 108.7325663 . 47.0045577 . A 57 GLY H A 57 GLY N A 57 GLY CA 175 180 140583887 . 5744481.5 . 9.008937578 . 108.6989184 . 66.16040593 . A 57 GLY H A 57 GLY N A 56 THR CA 170 175 285559945 . 11693503 . 6.900608975 . 120.6317133 . 46.97843443 . A 58 ILE H A 58 ILE N A 57 GLY CA 171 176 582924552 . 23949684 . 6.900414695 . 120.6536369 . 64.05948053 . A 58 ILE H A 58 ILE N A 58 ILE CA 373 385 199208837 . 8379608.5 . 7.957827798 . 121.2217446 . 64.06002495 . A 59 ALA H A 59 ALA N A 58 ILE CA 244 251 567955504 . 23274104 . 7.958651304 . 121.2357314 . 55.34139112 . A 59 ALA H A 59 ALA N A 59 ALA CA 332 344 216900985 . 8892239 . 8.715717694 . 116.6540653 . 55.31673571 . A 60 TYR H A 60 TYR N A 59 ALA CA 333 345 493953842 . 20281668 . 8.715371049 . 116.6723798 . 61.11983557 . A 60 TYR H A 60 TYR N A 60 TYR CA 285 295 213070417.5 . 8803158 . 7.858528338 . 119.5896881 . 61.10702605 . A 61 ALA H A 61 ALA N A 60 TYR CA 282 292 562547264 . 23177508 . 7.858567275 . 119.6169248 . 55.12874355 . A 61 ALA H A 61 ALA N A 61 ALA CA 17 17 552124106 . 22744114 . 8.123020359 . 116.0219068 . 65.21028435 . A 62 ILE H A 62 ILE N A 62 ILE CA 18 18 217906667 . 8949792 . 8.121310735 . 115.9759614 . 55.13431068 . A 62 ILE H A 62 ILE N A 61 ALA CA 317 329 336247233 . 13856910 . 8.278250205 . 121.3827697 . 59.68415245 . A 63 TRP H A 63 TRP N A 63 TRP CA 318 330 155301124 . 6380972.5 . 8.277701237 . 121.3846702 . 65.16433046 . A 63 TRP H A 63 TRP N A 62 ILE CA 235 242 164578498.5 . 6639841.5 . 8.529081259 . 116.3569022 . 67.37935281 . A 64 VAL H A 64 VAL N A 64 VAL CA 236 243 61188210.12 . 2416136.5 . 8.529412558 . 116.4554998 . 59.69155419 . A 64 VAL H A 64 VAL N A 63 TRP CA 23 23 113458159 . 4774394 . 7.943990778 . 104.5851032 . 47.76054709 . A 65 GLY H A 65 GLY N A 65 GLY CA 385 397 55207730.75 . 2170175.5 . 7.954109915 . 104.6156563 . 67.33467566 . A 65 GLY H A 65 GLY N A 64 VAL CA 10 10 439409751 . 17749402 . 8.565929653 . 117.4959799 . 65.6899438 . A 66 VAL H A 66 VAL N A 66 VAL CA 15 15 225114556.5 . 9279877 . 8.566183862 . 117.4864127 . 47.72445133 . A 66 VAL H A 66 VAL N A 65 GLY CA 387 399 64779737.62 . 2646096.25 . 9.016877556 . 110.5178418 . 47.04512725 . A 67 GLY H A 67 GLY N A 67 GLY CA 263 270 192530244.5 . 7900894.5 . 8.565203063 . 119.5133597 . 47.09031572 . A 68 ILE H A 68 ILE N A 67 GLY CA 264 271 494004628 . 20051022 . 8.564546602 . 119.5458838 . 65.8898401 . A 68 ILE H A 68 ILE N A 68 ILE CA 202 208 633806206 . 26232720 . 7.188197748 . 120.1962914 . 66.68766761 . A 69 VAL H A 69 VAL N A 69 VAL CA 203 209 202748944.5 . 8263356 . 7.187622842 . 120.1908993 . 65.88637436 . A 69 VAL H A 69 VAL N A 68 ILE CA 45 45 128727329.5 . 5310177 . 8.806537958 . 118.3768906 . 66.68539187 . A 70 LEU H A 70 LEU N A 69 VAL CA 44 44 399460508 . 16543767 . 8.805865901 . 118.3756172 . 58.03897176 . A 70 LEU H A 70 LEU N A 70 LEU CA 164 167 153984750 . 6432846 . 9.387344532 . 119.560175 . 57.9876959 . A 71 ILE H A 71 ILE N A 70 LEU CA 163 166 431824724 . 17770114 . 9.387124599 . 119.5649146 . 62.36200701 . A 71 ILE H A 71 ILE N A 71 ILE CA 82 85 303241479 . 12443526 . 7.545514445 . 120.2534685 . 63.01575999 . A 72 SER H A 72 SER N A 72 SER CA 401 415 73995003.5 . 2960879 . 7.548880564 . 120.2198367 . 62.30813359 . A 72 SER H A 72 SER N A 71 ILE CA 312 324 197321553.5 . 8013440 . 8.37707311 . 124.4796812 . 62.99189238 . A 73 LEU H A 73 LEU N A 72 SER CA 311 323 773266586 . 31818932 . 8.376024879 . 124.4781937 . 58.22032426 . A 73 LEU H A 73 LEU N A 73 LEU CA 403 418 866174584 . 35106740 . 8.72412012 . 118.8986934 . 58.14616745 . A 74 LEU H A 74 LEU N A 74 LEU CA 404 419 2918696.484 . 200127.0938 . 8.737918756 . 118.904834 . 41.45451731 . A 74 LEU H A 74 LEU N A 73 LEU CB 192 198 212359523.5 . 8715010 . 8.159072102 . 115.0520301 . 58.17204955 . A 75 SER H A 75 SER N A 74 LEU CA 193 199 344462197 . 13939867 . 8.156596586 . 115.0607176 . 62.61127079 . A 75 SER H A 75 SER N A 75 SER CA 340 352 546221280 . 22727682 . 7.962428997 . 126.4145646 . 59.67530696 . A 76 TRP H A 76 TRP N A 76 TRP CA 341 353 125606079.8 . 5167938.5 . 7.962961773 . 126.4239404 . 62.61171023 . A 76 TRP H A 76 TRP N A 75 SER CA 113 116 212759129 . 8889215 . 8.2683997 . 104.607534 . 59.66726181 . A 77 GLY H A 77 GLY N A 76 TRP CA 112 115 728373886 . 30604280 . 8.267510077 . 104.641519 . 47.00795971 . A 77 GLY H A 77 GLY N A 77 GLY CA 381 393 667900784 . 27958446 . 8.347348383 . 113.8081631 . 59.54079258 . A 78 PHE H A 78 PHE N A 78 PHE CA 380 392 295496357 . 12336181 . 8.346995948 . 113.8043186 . 47.00696357 . A 78 PHE H A 78 PHE N A 77 GLY CA 88 91 135313533 . 5576812.5 . 6.844508942 . 112.2932642 . 59.52726951 . A 79 PHE H A 79 PHE N A 78 PHE CA 87 90 508254428 . 21099118 . 6.846641258 . 112.2980007 . 55.25405663 . A 79 PHE H A 79 PHE N A 79 PHE CA 22 22 143152004.5 . 6017385 . 7.492027977 . 109.703386 . 55.26879602 . A 80 GLY H A 80 GLY N A 79 PHE CA 21 21 618368390 . 25869784 . 7.493045784 . 109.7220901 . 46.30376083 . A 80 GLY H A 80 GLY N A 80 GLY CA 227 234 786830538 . 32531364 . 7.366244537 . 118.9168558 . 55.9478508 . A 81 GLN H A 81 GLN N A 81 GLN CA 226 233 288754352 . 12068804 . 7.365237889 . 118.8740355 . 46.28869977 . A 81 GLN H A 81 GLN N A 80 GLY CA 392 404 884909480 . 36841564 . 8.014862512 . 126.8653645 . 55.94794379 . A 82 ARG H A 82 ARG N A 81 GLN CA 277 287 1597231472 . 66311880 . 8.01531817 . 126.8748797 . 55.09445644 . A 82 ARG H A 82 ARG N A 82 ARG CA 314 326 887677734 . 36278560 . 6.987465331 . 122.677797 . 53.07832612 . A 83 LEU H A 83 LEU N A 83 LEU CA 313 325 433191900 . 17914752 . 6.98705326 . 122.6911835 . 55.088493 . A 83 LEU H A 83 LEU N A 82 ARG CA 324 336 1492446616 . 61932072 . 7.470673854 . 119.160485 . 51.01118234 . A 84 ASP H A 84 ASP N A 84 ASP CA 323 335 557582910 . 23195254 . 7.469757188 . 119.117364 . 53.07129501 . A 84 ASP H A 84 ASP N A 83 LEU CA 52 53 1020844526 . 41673248 . 8.715094765 . 118.5084101 . 50.98954649 . A 85 LEU H A 85 LEU N A 84 ASP CA 394 406 1312189564 . 53348508 . 8.71676991 . 118.4850161 . 59.30504467 . A 85 LEU H A 85 LEU N A 85 LEU CA 70 73 370560897 . 15061869 . 7.51881506 . 117.3961449 . 66.26024721 . A 87 ALA H A 87 ALA N A 86 PRO CA 69 72 837960854 . 34283460 . 7.518583613 . 117.4188801 . 55.53828189 . A 87 ALA H A 87 ALA N A 87 ALA CA 350 362 668951422 . 27781104 . 8.135161716 . 118.0172191 . 64.86963355 . A 88 ILE H A 88 ILE N A 88 ILE CA 393 405 281802765 . 11609343 . 8.133423905 . 118.0283923 . 55.52494359 . A 88 ILE H A 88 ILE N A 87 ALA CA 148 151 198126844.5 . 8107830.5 . 8.79845562 . 119.4463214 . 64.87385643 . A 89 ILE H A 89 ILE N A 88 ILE CA 149 152 582891580 . 24124522 . 8.79962932 . 119.4707347 . 64.27733602 . A 89 ILE H A 89 ILE N A 89 ILE CA 141 144 184652097.5 . 7622458.5 . 8.73993211 . 107.8301045 . 64.25479043 . A 90 GLY H A 90 GLY N A 89 ILE CA 140 143 605057180 . 25518468 . 8.741944248 . 107.8458712 . 47.66474973 . A 90 GLY H A 90 GLY N A 90 GLY CA 68 71 483165998 . 19933942 . 8.751136662 . 120.899298 . 60.19317391 . A 91 MET H A 91 MET N A 91 MET CA 67 70 201630729.5 . 8356393.5 . 8.750456603 . 120.8864656 . 47.65801896 . A 91 MET H A 91 MET N A 90 GLY CA 197 203 635384876 . 26550554 . 8.562966097 . 120.1029133 . 59.34652536 . A 92 MET H A 92 MET N A 92 MET CA 198 204 216095905 . 8919682 . 8.561282909 . 120.0765028 . 60.20659613 . A 92 MET H A 92 MET N A 91 MET CA 116 119 185296212 . 7613732.5 . 8.242290427 . 120.627293 . 59.34290224 . A 93 LEU H A 93 LEU N A 92 MET CA 117 120 513164354 . 21408332 . 8.242175248 . 120.6479623 . 58.31075481 . A 93 LEU H A 93 LEU N A 93 LEU CA 363 375 136994809 . 5682012 . 7.94438678 . 118.5854695 . 58.31594499 . A 94 ILE H A 94 ILE N A 93 LEU CA 362 374 328571210 . 13509708 . 7.947600221 . 118.5456778 . 65.36359956 . A 94 ILE H A 94 ILE N A 94 ILE CA 42 42 168214700 . 7066579 . 8.382592429 . 117.906717 . 65.33492731 . A 95 CYS H A 95 CYS N A 94 ILE CA 43 43 477550194 . 19767070 . 8.383743578 . 117.913431 . 63.26072467 . A 95 CYS H A 95 CYS N A 95 CYS CA 131 134 187766218.5 . 7687108.5 . 8.767647635 . 119.5940576 . 63.24170569 . A 96 ALA H A 96 ALA N A 95 CYS CA 130 133 479710941 . 20064598 . 8.76788189 . 119.5897994 . 55.03975551 . A 96 ALA H A 96 ALA N A 96 ALA CA 79 82 505431657 . 21170030 . 8.497537001 . 104.9499951 . 48.49648659 . A 97 GLY H A 97 GLY N A 97 GLY CA 78 81 147523320 . 6029656 . 8.495929679 . 104.9611871 . 55.01023003 . A 97 GLY H A 97 GLY N A 96 ALA CA 36 36 209912261.5 . 8791522 . 8.290127715 . 120.9573876 . 48.46796896 . A 98 VAL H A 98 VAL N A 97 GLY CA 35 35 471206879 . 19415008 . 8.292986143 . 120.9647913 . 66.87805683 . A 98 VAL H A 98 VAL N A 98 VAL CA 268 275 441603091 . 17991102 . 8.27786972 . 118.7774683 . 65.87390865 . A 100 ILE H A 100 ILE N A 100 ILE CA 267 274 148941184 . 6151475 . 8.277653361 . 118.7725518 . 58.85672872 . A 100 ILE H A 100 ILE N A 99 LEU CA 361 373 765616546 . 31947988 . 7.921751667 . 118.5801547 . 65.82366956 . A 101 ILE H A 101 ILE N A 101 ILE CA 101 104 364272874 . 14956951 . 7.907881194 . 114.9271141 . 56.09729816 . A 102 ASN H A 102 ASN N A 102 ASN CA 100 103 127841599.2 . 5266654 . 7.909252072 . 114.8893265 . 65.7947735 . A 102 ASN H A 102 ASN N A 101 ILE CA 359 371 158415845 . 6589597 . 8.230098357 . 114.5871346 . 56.07965054 . A 103 LEU H A 103 LEU N A 102 ASN CA 360 372 406587285 . 16822866 . 8.22958246 . 114.5620805 . 55.50732132 . A 103 LEU H A 103 LEU N A 103 LEU CA 299 311 134281111 . 5407113 . 7.645079754 . 115.1320373 . 55.51221474 . A 104 LEU H A 104 LEU N A 103 LEU CA 300 312 418092757 . 17353534 . 7.642810355 . 115.1481144 . 54.4902493 . A 104 LEU H A 104 LEU N A 104 LEU CA 106 109 243276694.5 . 10224422 . 7.1156969 . 112.4053541 . 54.45472199 . A 105 SER H A 105 SER N A 104 LEU CA 107 110 1109454616 . 45954720 . 7.116000904 . 112.4193383 . 57.63826752 . A 105 SER H A 105 SER N A 105 SER CA 83 86 555217730 . 23104066 . 9.40764965 . 127.4588804 . 57.63025868 . A 106 ARG H A 106 ARG N A 105 SER CA 84 87 1020069914 . 42436744 . 9.406921888 . 127.4527775 . 55.5811214 . A 106 ARG H A 106 ARG N A 106 ARG CA 295 306 1930887552 . 80446888 . 8.435228537 . 117.1238799 . 58.53676901 . A 107 SER H A 107 SER N A 107 SER CA 296 308 612569104 . 25312668 . 8.435502356 . 117.1178463 . 55.57568863 . A 107 SER H A 107 SER N A 106 ARG CA 172 177 5197118896 . 218588320 . 7.631292284 . 116.7367173 . 59.09761439 . A 108 THR H A 108 THR N A 108 THR CA 173 178 1151602920 . 48211684 . 7.631582144 . 116.7457104 . 58.52132596 . A 108 THR H A 108 THR N A 107 SER CA 211 218 5969286288 . 252416688 . 7.902722775 . 123.904978 . 56.65182393 . A 110 HIS H A 110 HIS N A 110 HIS CA 214 221 2977660136 . 125886376 . 7.902731431 . 123.9071202 . 63.1048375 . A 110 HIS H A 110 HIS N A 109 PRO CA 402 417 886885784 . 34966508 . 8.180572032 . 121.0776496 . 54.82835658 . B 1 MET H% B 1 MET N B 1 MET CA 210 217 1753298248 . 72850888 . 8.356726054 . 122.7886401 . 51.41759787 . B 2 ASN H B 2 ASN N B 2 ASN CA 234 241 1215153692 . 50177340 . 8.358359092 . 122.8170275 . 54.75894543 . B 2 ASN H B 2 ASN N B 1 MET CA 74 77 140403078 . 5753669.5 . 8.382250339 . 116.5336636 . 64.34238259 . B 4 TYR H B 4 TYR N B 3 PRO CA 75 78 375821980 . 15203248 . 8.381843395 . 116.4829864 . 61.59939653 . B 4 TYR H B 4 TYR N B 4 TYR CA 33 33 107882231.5 . 4450387 . 7.855636661 . 121.413612 . 61.52784288 . B 5 ILE H B 5 ILE N B 4 TYR CA 32 32 289784119 . 11959750 . 7.858526954 . 121.390982 . 64.38584115 . B 5 ILE H B 5 ILE N B 5 ILE CA 187 192 452953228 . 18600212 . 6.843016565 . 118.8814986 . 61.18188813 . B 6 TYR H B 6 TYR N B 6 TYR CA 186 191 154670034.5 . 6285106 . 6.840808119 . 118.8716763 . 64.32361495 . B 6 TYR H B 6 TYR N B 5 ILE CA 181 186 454976513 . 18594242 . 7.846919527 . 120.507804 . 57.36801529 . B 7 LEU H B 7 LEU N B 7 LEU CA 182 187 148571740 . 6056454 . 7.845216849 . 120.5205619 . 61.17509238 . B 7 LEU H B 7 LEU N B 6 TYR CA 353 365 141646190 . 5846003 . 8.797405307 . 106.8319995 . 57.35360135 . B 8 GLY H B 8 GLY N B 7 LEU CA 354 366 459367729 . 19097810 . 8.795403532 . 106.7966165 . 47.16590476 . B 8 GLY H B 8 GLY N B 8 GLY CA 248 255 178028708.5 . 7410118 . 8.73831432 . 109.7869697 . 47.16361272 . B 9 GLY H B 9 GLY N B 8 GLY CA 247 254 432974792 . 17897266 . 8.740451328 . 109.7732805 . 47.69038982 . B 9 GLY H B 9 GLY N B 9 GLY CA 365 377 456888903 . 18841782 . 8.895180977 . 125.7909688 . 55.47023202 . B 10 ALA H B 10 ALA N B 10 ALA CA 364 376 185905608 . 7618825 . 8.894405002 . 125.7908214 . 47.6880563 . B 10 ALA H B 10 ALA N B 9 GLY CA 205 211 330419877 . 13626605 . 8.519781942 . 122.6996556 . 64.17529105 . B 11 ILE H B 11 ILE N B 11 ILE CA 204 210 101785261 . 4213592 . 8.511782566 . 122.6010237 . 55.4596141 . B 11 ILE H B 11 ILE N B 10 ALA CA 229 236 410126226 . 16860728 . 8.535386341 . 121.2548686 . 58.21920606 . B 12 LEU H B 12 LEU N B 12 LEU CA 228 235 116848642.5 . 4770836.5 . 8.538627049 . 121.2556811 . 64.17549234 . B 12 LEU H B 12 LEU N B 11 ILE CA 55 56 534773770 . 22061528 . 8.725136285 . 119.2828862 . 55.56305097 . B 13 ALA H B 13 ALA N B 13 ALA CA 25 25 468234285 . 19223274 . 7.864252941 . 118.1874234 . 59.23574887 . B 14 GLU H B 14 GLU N B 14 GLU CA 24 24 206646805 . 8523008 . 7.866068243 . 118.1465284 . 55.54100153 . B 14 GLU H B 14 GLU N B 13 ALA CA 254 261 147917833 . 6063455 . 8.476745386 . 123.1468563 . 59.2266794 . B 15 VAL H B 15 VAL N B 14 GLU CA 253 260 423730186 . 17452506 . 8.474541737 . 123.2070087 . 66.35243513 . B 15 VAL H B 15 VAL N B 15 VAL CA 272 282 177951346 . 7367029.5 . 8.696701583 . 122.0722241 . 66.32787817 . B 16 ILE H B 16 ILE N B 15 VAL CA 271 281 500855042 . 20507454 . 8.695723975 . 122.0920725 . 65.03423401 . B 16 ILE H B 16 ILE N B 16 ILE CA 345 357 547679652 . 22757192 . 8.490977472 . 107.1403118 . 47.81524417 . B 17 GLY H B 17 GLY N B 17 GLY CA 344 356 191381593.5 . 7933448 . 8.490594371 . 107.1338011 . 65.04331274 . B 17 GLY H B 17 GLY N B 16 ILE CA 178 183 170697127.5 . 6921225 . 7.747591998 . 119.5352004 . 67.50059187 . B 19 THR H B 19 THR N B 19 THR CA 177 182 110939157 . 4684307.5 . 7.754941461 . 119.5896826 . 65.97071074 . B 19 THR H B 19 THR N B 18 THR CA 388 400 92642568.25 . 3765552 . 8.149299754 . 120.5881785 . 67.47701829 . B 20 LEU H B 20 LEU N B 19 THR CA 103 106 805496516 . 32619986 . 8.14787772 . 120.6538815 . 57.90616966 . B 20 LEU H B 20 LEU N B 20 LEU CA 6 6 645971760 . 26741338 . 7.998796115 . 120.9335067 . 59.11219985 . B 21 MET H B 21 MET N B 21 MET CA 7 7 209807880 . 8863990 . 7.998650119 . 120.9346688 . 57.91891955 . B 21 MET H B 21 MET N B 20 LEU CA 286 296 272198852 . 11306025 . 7.605072304 . 122.6151896 . 59.09591427 . B 22 LYS H B 22 LYS N B 21 MET CA 287 297 855379136 . 35128476 . 7.604863497 . 122.6424965 . 58.58929053 . B 22 LYS H B 22 LYS N B 22 LYS CA 73 76 1272980084 . 52726324 . 7.496562229 . 117.7396539 . 58.59849649 . B 23 PHE H B 23 PHE N B 23 PHE CA 216 223 218921322 . 8992461 . 7.842302129 . 115.0537321 . 58.59902408 . B 24 SER H B 24 SER N B 23 PHE CA 215 222 746596790 . 31012530 . 7.842296214 . 115.0563949 . 60.10909601 . B 24 SER H B 24 SER N B 24 SER CA 374 386 1104744428 . 44946848 . 8.071280444 . 122.1766276 . 55.87092883 . B 25 GLU H B 25 GLU N B 25 GLU CA 375 387 335343273 . 13849619 . 8.069507901 . 122.1701057 . 60.10467926 . B 25 GLU H B 25 GLU N B 24 SER CA 89 92 258268243.5 . 10800791 . 9.118252934 . 113.0585921 . 55.88982714 . B 26 GLY H B 26 GLY N B 25 GLU CA 90 93 904478634 . 38120056 . 9.118167465 . 113.0603576 . 46.93714944 . B 26 GLY H B 26 GLY N B 26 GLY CA 303 315 303731718 . 12678840 . 7.861140979 . 113.7631625 . 46.92494888 . B 27 PHE H B 27 PHE N B 26 GLY CA 304 316 724538440 . 29944892 . 7.861337125 . 113.763415 . 59.04353131 . B 27 PHE H B 27 PHE N B 27 PHE CA 104 107 329864140 . 13278376 . 7.518926628 . 102.6040897 . 62.03987379 . B 28 THR H B 28 THR N B 28 THR CA 390 402 62746611.5 . 2496335 . 7.517211413 . 102.6888036 . 59.10943776 . B 28 THR H B 28 THR N B 27 PHE CA 135 138 716366294 . 29583470 . 7.537651357 . 120.8379846 . 54.21435206 . B 29 ARG H B 29 ARG N B 29 ARG CA 134 137 144336030.5 . 5999717.5 . 7.535728884 . 120.8219258 . 61.95145302 . B 29 ARG H B 29 ARG N B 28 THR CA 367 379 413644545 . 17174524 . 8.924973282 . 130.9876774 . 59.67962137 . B 30 LEU H B 30 LEU N B 30 LEU CA 366 378 310245601 . 12754752 . 8.924579776 . 130.9987757 . 54.20452263 . B 30 LEU H B 30 LEU N B 29 ARG CA 158 161 405677003 . 16796722 . 9.182840203 . 118.8219957 . 59.66348682 . B 31 TRP H B 31 TRP N B 30 LEU CA 159 162 1231473376 . 51414188 . 9.182770293 . 118.831732 . 61.72896661 . B 31 TRP H B 31 TRP N B 31 TRP CA 85 88 191513664 . 7947249.5 . 7.227933556 . 115.4627251 . 65.3689131 . B 33 SER H B 33 SER N B 32 PRO CA 86 89 548730718 . 22602354 . 7.226064199 . 115.473213 . 63.46078155 . B 33 SER H B 33 SER N B 33 SER CA 270 280 965198556 . 38854624 . 8.400523214 . 121.9944604 . 66.50178706 . B 34 VAL H B 34 VAL N B 34 VAL CA 269 278 257792066 . 10328078 . 8.397975163 . 121.9944604 . 63.49948921 . B 34 VAL H B 34 VAL N B 33 SER CA 252 259 189689108.5 . 7940801.5 . 8.771447073 . 105.7146724 . 66.46845773 . B 35 GLY H B 35 GLY N B 34 VAL CA 251 258 582185408 . 24168876 . 8.771618633 . 105.722934 . 47.7851302 . B 35 GLY H B 35 GLY N B 35 GLY CA 255 262 198224455 . 8204540.5 . 8.249925008 . 121.5873265 . 47.73654136 . B 36 THR H B 36 THR N B 35 GLY CA 256 263 274767136 . 11251538 . 8.249769554 . 121.5827765 . 68.55088295 . B 36 THR H B 36 THR N B 36 THR CA 321 333 131072053.5 . 5422652.5 . 7.457549271 . 119.4923074 . 68.48387009 . B 37 ILE H B 37 ILE N B 36 THR CA 322 334 661115046 . 27357484 . 7.459969966 . 119.465833 . 65.25051164 . B 37 ILE H B 37 ILE N B 37 ILE CA 260 267 642839740 . 26015710 . 8.378367944 . 119.3787392 . 65.53368998 . B 38 ILE H B 38 ILE N B 38 ILE CA 369 381 481946565 . 19844896 . 8.252591309 . 116.8085151 . 65.0870038 . B 39 CYS H B 39 CYS N B 39 CYS CA 368 380 126757711.5 . 5265509 . 8.251413644 . 116.7979427 . 65.58216244 . B 39 CYS H B 39 CYS N B 38 ILE CA 53 54 157992891 . 6414272 . 8.710616767 . 119.3117365 . 65.06057178 . B 40 TYR H B 40 TYR N B 39 CYS CA 54 55 487360479 . 19840604 . 8.712187207 . 119.3192681 . 57.68193274 . B 40 TYR H B 40 TYR N B 40 TYR CA 11 11 468837445 . 19248682 . 8.539334925 . 117.5088888 . 65.34747301 . B 41 CYS H B 41 CYS N B 41 CYS CA 13 13 130899960 . 5456310.5 . 8.535010979 . 117.527381 . 57.64938202 . B 41 CYS H B 41 CYS N B 40 TYR CA 37 37 595029758 . 24451414 . 8.398031484 . 120.2679699 . 55.04680321 . B 42 ALA H B 42 ALA N B 42 ALA CA 38 38 217861193.5 . 8964004 . 8.397423219 . 120.2875991 . 65.32282652 . B 42 ALA H B 42 ALA N B 41 CYS CA 348 360 236099704.5 . 9725229 . 8.371051469 . 112.750694 . 55.02763646 . B 43 SER H B 43 SER N B 42 ALA CA 349 361 477856539 . 19707958 . 8.372570903 . 112.7170755 . 63.08455777 . B 43 SER H B 43 SER N B 43 SER CA 325 337 504504426 . 20703802 . 8.196424005 . 116.3630627 . 58.75789001 . B 44 PHE H B 44 PHE N B 44 PHE CA 326 338 157119408 . 6417027 . 8.194155689 . 116.3825904 . 63.07958558 . B 44 PHE H B 44 PHE N B 43 SER CA 66 69 457235295 . 19051534 . 8.609709611 . 120.8593589 . 63.04469212 . B 45 TRP H B 45 TRP N B 45 TRP CA 65 68 172761114 . 7110447.5 . 8.609405652 . 120.8427932 . 58.7289061 . B 45 TRP H B 45 TRP N B 44 PHE CA 8 8 482571863 . 19755380 . 8.812503565 . 119.1842689 . 58.1721693 . B 46 LEU H B 46 LEU N B 46 LEU CA 9 9 171297933.5 . 7043505.5 . 8.811267498 . 119.1898138 . 63.02990121 . B 46 LEU H B 46 LEU N B 45 TRP CA 351 363 146763478.5 . 6068558 . 8.649489132 . 122.4758265 . 58.19858673 . B 47 LEU H B 47 LEU N B 46 LEU CA 352 364 338522759 . 13901825 . 8.648222025 . 122.4721861 . 57.41171999 . B 47 LEU H B 47 LEU N B 47 LEU CA 97 100 787221364 . 32083626 . 8.436396904 . 121.066121 . 55.14126806 . B 48 ALA H B 48 ALA N B 48 ALA CA 306 318 176012250.5 . 7254841.5 . 7.234729157 . 114.5996627 . 55.07085068 . B 49 GLN H B 49 GLN N B 48 ALA CA 305 317 528409983 . 21700692 . 7.233071371 . 114.5962508 . 55.94320908 . B 49 GLN H B 49 GLN N B 49 GLN CA 391 403 161503498.5 . 6686285 . 7.44783133 . 109.898129 . 65.17681193 . B 50 THR H B 50 THR N B 50 THR CA 222 229 109156221 . 4557014.5 . 6.959565186 . 118.0369403 . 65.17118118 . B 51 LEU H B 51 LEU N B 50 THR CA 223 230 404890692 . 16531422 . 6.956939406 . 118.1134667 . 55.63270788 . B 51 LEU H B 51 LEU N B 51 LEU CA 288 299 198168442 . 8317373 . 6.990103453 . 119.7141983 . 55.61989736 . B 52 ALA H B 52 ALA N B 51 LEU CA 289 300 660700096 . 27233696 . 6.990225774 . 119.7384303 . 53.00616383 . B 52 ALA H B 52 ALA N B 52 ALA CA 19 19 95617521.25 . 3982221 . 7.462818142 . 112.9756067 . 52.97849205 . B 53 TYR H B 53 TYR N B 52 ALA CA 20 20 340244121 . 13990120 . 7.465513832 . 112.9611724 . 57.87754355 . B 53 TYR H B 53 TYR N B 53 TYR CA 320 332 782014102 . 31861768 . 7.712829859 . 119.216735 . 57.33048732 . B 54 ILE H B 54 ILE N B 54 ILE CA 319 331 156707784 . 6370251.5 . 7.712019297 . 119.2618821 . 57.8312073 . B 54 ILE H B 54 ILE N B 53 TYR CA 336 348 345797909 . 14330678 . 9.002367194 . 123.4983475 . 62.915736 . B 56 THR H B 56 THR N B 55 PRO CA 337 349 421057645 . 17390456 . 9.003195674 . 123.4867934 . 66.52334218 . B 56 THR H B 56 THR N B 56 THR CA 379 391 102338332.8 . 4221013 . 10.046175 . 106.9046993 . 66.53441573 . B 57 GLY H B 57 GLY N B 56 THR CA 378 390 353787778 . 14644128 . 10.0466247 . 106.897989 . 47.2265718 . B 57 GLY H B 57 GLY N B 57 GLY CA 276 286 520436059 . 21536630 . 6.504276087 . 117.9360187 . 64.52967317 . B 58 ILE H B 58 ILE N B 58 ILE CA 275 285 286619022 . 11841203 . 6.504510361 . 117.9168363 . 47.21795192 . B 58 ILE H B 58 ILE N B 57 GLY CA 376 388 183965758.5 . 7582794 . 8.060633313 . 121.9339524 . 64.5083455 . B 59 ALA H B 59 ALA N B 58 ILE CA 377 389 507973951 . 19817640 . 8.065040123 . 121.9198204 . 55.54610049 . B 59 ALA H B 59 ALA N B 59 ALA CA 160 163 169377153.5 . 6945757 . 8.705234043 . 117.3451588 . 55.55011716 . B 60 TYR H B 60 TYR N B 59 ALA CA 161 164 419272041 . 17293882 . 8.707889944 . 117.3568835 . 61.7052099 . B 60 TYR H B 60 TYR N B 60 TYR CA 328 340 638913908 . 26291138 . 8.067425325 . 118.0980236 . 55.23091181 . B 61 ALA H B 61 ALA N B 61 ALA CA 327 339 251080361 . 10428651 . 8.066308218 . 118.0832675 . 61.70133297 . B 61 ALA H B 61 ALA N B 60 TYR CA 60 62 532806247 . 22119688 . 8.531497386 . 117.1061971 . 66.07034712 . B 62 ILE H B 62 ILE N B 62 ILE CA 59 61 200733292.5 . 8224280 . 8.531595673 . 117.1083519 . 55.22826617 . B 62 ILE H B 62 ILE N B 61 ALA CA 335 347 143774143.5 . 5993411.5 . 8.759163833 . 121.881945 . 66.08346087 . B 63 TRP H B 63 TRP N B 62 ILE CA 334 346 347894606 . 14294188 . 8.760593765 . 121.8870882 . 59.83287754 . B 63 TRP H B 63 TRP N B 63 TRP CA 208 215 160088271 . 6556302.5 . 8.355670419 . 116.8805508 . 63.89676267 . B 64 VAL H B 64 VAL N B 64 VAL CA 209 216 66324716.88 . 2757861 . 8.35816447 . 116.8180694 . 59.74088896 . B 64 VAL H B 64 VAL N B 63 TRP CA 279 289 89710296.5 . 3669453 . 8.544241566 . 108.3814481 . 63.89215876 . B 65 GLY H B 65 GLY N B 64 VAL CA 278 288 384264126 . 15853310 . 8.545539872 . 108.3821997 . 47.0832995 . B 65 GLY H B 65 GLY N B 65 GLY CA 180 185 500513384 . 20696158 . 9.040085298 . 120.5249169 . 66.18635903 . B 66 VAL H B 66 VAL N B 66 VAL CA 179 184 231580112 . 9473466 . 9.039762666 . 120.5149525 . 47.0709804 . B 66 VAL H B 66 VAL N B 65 GLY CA 386 398 95637448.5 . 3917812 . 7.153167952 . 105.3894929 . 47.4195563 . B 67 GLY H B 67 GLY N B 67 GLY CA 144 147 197400434.5 . 8212817 . 7.365683634 . 120.4112453 . 47.41115742 . B 68 ILE H B 68 ILE N B 67 GLY CA 145 148 365047794 . 14912022 . 7.364155674 . 120.4090731 . 62.97556123 . B 68 ILE H B 68 ILE N B 68 ILE CA 315 327 171640254.5 . 6895951.5 . 7.562878786 . 122.7953384 . 62.97052939 . B 69 VAL H B 69 VAL N B 68 ILE CA 316 328 607877806 . 25229800 . 7.562120402 . 122.8148259 . 66.88823907 . B 69 VAL H B 69 VAL N B 69 VAL CA 58 60 159596837 . 6600338 . 8.117211867 . 117.1725837 . 66.88366443 . B 70 LEU H B 70 LEU N B 69 VAL CA 57 59 419329411 . 17299450 . 8.115691683 . 117.1958614 . 57.92678259 . B 70 LEU H B 70 LEU N B 70 LEU CA 262 269 651864792 . 26764312 . 8.407635773 . 119.033355 . 64.50349972 . B 71 ILE H B 71 ILE N B 71 ILE CA 399 411 278012913 . 11151209 . 8.409504229 . 119.1459459 . 57.92128371 . B 71 ILE H B 71 ILE N B 70 LEU CA 119 122 354416967 . 14406005 . 7.960933183 . 119.2609521 . 62.85393435 . B 72 SER H B 72 SER N B 72 SER CA 118 121 190697934.5 . 7850304.5 . 7.961141193 . 119.2553247 . 64.49583611 . B 72 SER H B 72 SER N B 71 ILE CA 5 5 912097498 . 36762808 . 8.128854656 . 120.8152423 . 57.8462332 . B 73 LEU H B 73 LEU N B 73 LEU CA 91 94 144776341.5 . 5858506 . 8.124228587 . 120.9124197 . 62.85461051 . B 73 LEU H B 73 LEU N B 72 SER CA 196 202 854332228 . 34920568 . 8.586008362 . 120.0182591 . 57.9874138 . B 74 LEU H B 74 LEU N B 74 LEU CA 293 304 420703465 . 17327050 . 8.460552959 . 117.0849686 . 62.12841333 . B 75 SER H B 75 SER N B 75 SER CA 294 305 312263594 . 12974665 . 8.459701016 . 117.1237396 . 58.03364447 . B 75 SER H B 75 SER N B 74 LEU CA 190 195 739906858 . 30664516 . 7.820640112 . 124.2810792 . 58.96071133 . B 76 TRP H B 76 TRP N B 76 TRP CA 191 196 135397077.5 . 5641776.5 . 7.818913888 . 124.241051 . 62.13155041 . B 76 TRP H B 76 TRP N B 75 SER CA 64 66 205108971 . 8679341 . 8.679799015 . 105.3183847 . 58.9522193 . B 77 GLY H B 77 GLY N B 76 TRP CA 63 65 708909740 . 29445822 . 8.679931533 . 105.3186404 . 46.75311705 . B 77 GLY H B 77 GLY N B 77 GLY CA 94 97 217576477 . 9037156 . 8.173953646 . 113.4291832 . 46.74088189 . B 78 PHE H B 78 PHE N B 77 GLY CA 95 98 448015765 . 18481666 . 8.17378472 . 113.4409541 . 58.20934191 . B 78 PHE H B 78 PHE N B 78 PHE CA 143 146 587712400 . 24380762 . 7.168026453 . 114.1864618 . 56.65631016 . B 79 PHE H A 79 PHE N B 79 PHE CA 142 145 185200547.5 . 7587101.5 . 7.168282393 . 114.1401826 . 58.2011094 . B 79 PHE H A 79 PHE N B 78 PHE CA 372 384 250370995 . 10360565 . 7.88252334 . 108.9547017 . 56.63950502 . B 80 GLY H B 80 GLY N B 79 PHE CA 371 383 1052001208 . 44055260 . 7.883839049 . 108.988516 . 46.43916437 . B 80 GLY H B 80 GLY N B 80 GLY CA 147 150 433474030 . 18126398 . 7.736751377 . 120.5655811 . 46.41861877 . B 81 GLN H B 81 GLN N B 80 GLY CA 146 149 1789032616 . 74815552 . 7.737247124 . 120.5853707 . 54.98608816 . B 81 GLN H B 81 GLN N B 81 GLN CA 127 130 3208309128 . 136270112 . 8.22062869 . 124.1011668 . 55.77139447 . B 82 ARG H B 82 ARG N B 82 ARG CA 128 131 1600786428 . 68292136 . 8.220530448 . 124.1027807 . 54.96925165 . B 82 ARG H B 82 ARG N B 81 GLN CA 308 320 2664209664 . 112141648 . 8.064717594 . 124.3835427 . 53.8327315 . B 83 LEU H B 83 LEU N B 83 LEU CA 307 319 1532258928 . 64429292 . 8.064476243 . 124.3990008 . 55.76696803 . B 83 LEU H B 83 LEU N B 82 ARG CA 122 125 2087908224 . 87239560 . 7.424999406 . 120.5709802 . 50.98298514 . B 84 ASP H B 84 ASP N B 84 ASP CA 121 124 707907764 . 29356922 . 7.424780312 . 120.5260852 . 53.83391054 . B 84 ASP H B 84 ASP N B 83 LEU CA 51 52 1205342644 . 49748616 . 8.711817596 . 118.8305091 . 50.99246453 . B 85 LEU H B 85 LEU N B 84 ASP CA 49 50 1203716854 . 49266548 . 8.713867959 . 118.8417451 . 59.31307676 . B 85 LEU H B 85 LEU N B 85 LEU CA 72 75 410846893 . 16936618 . 7.498770426 . 117.7897486 . 66.26024721 . B 87 ALA H B 87 ALA N B 86 PRO CA 71 74 710249450 . 28410030 . 7.501785873 . 117.7897486 . 55.50012607 . B 87 ALA H B 87 ALA N B 87 ALA CA 250 257 273912314 . 11301255 . 7.930525478 . 117.9926859 . 55.39992868 . B 88 ILE H B 88 ILE N B 87 ALA CA 249 256 711999048 . 29598560 . 7.931568632 . 118.0235728 . 64.63713199 . B 88 ILE H B 88 ILE N B 88 ILE CA 330 342 674454580 . 27510778 . 8.644818882 . 119.645955 . 64.41358076 . B 89 ILE H B 89 ILE N B 89 ILE CA 41 41 185753478 . 7684565 . 8.850537916 . 107.604454 . 64.37348557 . B 90 GLY H B 90 GLY N B 89 ILE CA 40 40 579856546 . 24376414 . 8.848994194 . 107.6131998 . 47.68501829 . B 90 GLY H B 90 GLY N B 90 GLY CA 238 245 293636254 . 12395865 . 8.507573319 . 119.8527121 . 47.66777618 . B 91 MET H B 91 MET N B 90 GLY CA 237 244 582556138 . 24109680 . 8.507573005 . 119.8458085 . 59.9213869 . B 91 MET H B 91 MET N B 91 MET CA 162 165 575633056 . 23519112 . 8.379070247 . 119.639799 . 59.53697268 . B 92 MET H B 92 MET N B 92 MET CA 274 284 491311710 . 20584708 . 8.261086971 . 119.6564274 . 58.25419034 . B 93 LEU H B 93 LEU N B 93 LEU CA 273 283 180093111 . 7516231.5 . 8.259252525 . 119.6519747 . 59.50884734 . B 93 LEU H B 93 LEU N B 92 MET CA 110 113 139135669.5 . 5887721 . 7.805113369 . 118.0994901 . 58.21529271 . B 94 ILE H B 94 ILE N B 93 LEU CA 111 114 349308887 . 14555486 . 7.803276742 . 118.131397 . 65.33914885 . B 94 ILE H B 94 ILE N B 94 ILE CA 16 16 449403070 . 18574096 . 8.134079534 . 116.4775619 . 64.28682466 . B 95 CYS H B 95 CYS N B 95 CYS CA 398 410 189247389 . 7324521 . 8.131681941 . 116.3988289 . 65.23749543 . B 95 CYS H B 95 CYS N B 94 ILE CA 199 205 471927786 . 19654700 . 8.587925117 . 120.3214551 . 54.90113197 . B 96 ALA H B 96 ALA N B 96 ALA CA 397 409 160515647 . 6603554 . 8.588789666 . 120.3169512 . 64.29563439 . B 96 ALA H B 96 ALA N B 95 CYS CA 189 194 173138942 . 7297769.5 . 8.443780917 . 105.7772859 . 54.86738049 . B 97 GLY H B 97 GLY N B 96 ALA CA 188 193 530941330 . 22440060 . 8.444021619 . 105.7628077 . 48.63541374 . B 97 GLY H B 97 GLY N B 97 GLY CA 31 31 220573177.5 . 9133818 . 8.189026237 . 120.3490383 . 48.61644053 . B 98 VAL H B 98 VAL N B 97 GLY CA 30 30 524762206 . 21635426 . 8.190415977 . 120.3703887 . 66.78438276 . B 98 VAL H B 98 VAL N B 98 VAL CA 356 368 169534870 . 7010300.5 . 8.022599128 . 119.7144455 . 66.80936122 . B 99 LEU H B 99 LEU N B 98 VAL CA 355 367 552080384 . 23020516 . 8.024393524 . 119.7422754 . 58.21810303 . B 99 LEU H B 99 LEU N B 99 LEU CA 259 266 587798854 . 23611364 . 8.397425137 . 119.2572103 . 65.70417774 . B 100 ILE H B 100 ILE N B 100 ILE CA 261 268 278012913 . 11151209 . 8.398697434 . 119.1459459 . 58.16623774 . B 100 ILE H B 100 ILE N B 99 LEU CA 221 228 803719316 . 33363806 . 7.777998124 . 118.632736 . 65.79847287 . B 101 ILE H B 101 ILE N B 101 ILE CA 207 213 189434098.5 . 7779417 . 8.108037681 . 115.213728 . 65.79307497 . B 102 ASN H B 102 ASN N B 101 ILE CA 206 212 615864082 . 25516946 . 8.109674333 . 115.194038 . 56.60544944 . B 102 ASN H B 102 ASN N B 102 ASN CA 102 105 529552154 . 21852314 . 8.458955893 . 114.6479026 . 56.20922518 . B 103 LEU H B 103 LEU N B 103 LEU CA 167 170 445483180 . 18615710 . 7.807940716 . 114.3415789 . 54.67239861 . B 104 LEU H B 104 LEU N B 104 LEU CA 168 171 135747412.8 . 5633589 . 7.810320675 . 114.3602941 . 56.15691221 . B 104 LEU H B 104 LEU N B 103 LEU CA 339 351 874868942 . 36264572 . 7.45532428 . 111.7862062 . 58.14712344 . B 105 SER H B 105 SER N B 105 SER CA 338 350 180241249.5 . 7446151 . 7.452963602 . 111.7819295 . 54.67476956 . B 105 SER H B 105 SER N B 104 LEU CA 201 207 484093232 . 20105730 . 10.10016289 . 129.6327955 . 54.97909873 . B 106 ARG H B 106 ARG N B 106 ARG CA 200 206 304204797 . 12553639 . 10.09865807 . 129.6274889 . 58.1389623 . B 106 ARG H B 106 ARG N B 105 SER CA 12 12 604848496 . 24629454 . 8.534663968 . 117.6333006 . 59.81557426 . B 107 SER H B 107 SER N B 107 SER CA 14 14 140638607 . 5718334.5 . 8.534564753 . 117.6665914 . 54.94687495 . B 107 SER H B 107 SER N B 106 ARG CA 242 249 2542491472 . 105314200 . 7.510065052 . 114.1723554 . 58.29701693 . B 108 THR H B 108 THR N B 108 THR CA 243 250 530349284 . 21992966 . 7.510375464 . 114.1684739 . 59.82371743 . B 108 THR H B 108 THR N B 107 SER CA 240 247 8091267648 . 344517792 . 7.750871688 . 123.5833474 . 56.61122267 . B 110 HIS H B 110 HIS N B 110 HIS CA 241 248 4080775968 . 174147776 . 7.750936851 . 123.5851781 . 63.1315717 . B 110 HIS H B 110 HIS N B 109 PRO CA ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51026 1 2 . . C 13 C . . . ppm . . . . . . 51026 1 3 . . N 15 N . . . ppm . . . . . . 51026 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51026 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 899.7540283 6.706011368 11.99925259 circular true true 2 ppm 15N 91.18199921 35.03858182 135.895298 circular true false 3 ppm 13C 226.2819977 12.00887009 182.9874215 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 131 134 526661560 . 22904164 . 8.305205717 . 122.5413096 . 174.9437191 . A 2 ASN H A 2 ASN N A 1 MET C 159 163 84035837.5 . 3437293.75 . 8.435916966 . 116.6593521 . 177.8452919 . A 4 TYR H A 4 TYR N A 3 PRO C 78 81 180474144 . 7667006.5 . 7.840097221 . 120.6129781 . 178.2015899 . A 5 ILE H A 5 ILE N A 4 TYR C 41 43 74148746.38 . 3181622.25 . 6.809421206 . 118.4526856 . 177.9059082 . A 6 TYR H A 6 TYR N A 5 ILE C 83 86 124813455.8 . 5385864 . 7.727593365 . 118.6803194 . 178.0150923 . A 7 LEU H A 7 LEU N A 6 TYR C 75 78 90698284.75 . 3949478 . 8.438306514 . 105.1805345 . 177.8757706 . A 8 GLY H A 8 GLY N A 7 LEU C 94 97 80596622.75 . 3427797.5 . 8.380001011 . 107.4917148 . 174.9305785 . A 9 GLY H A 9 GLY N A 8 GLY C 163 167 108704252.2 . 4715207 . 8.420358698 . 125.6264598 . 173.548819 . A 10 ALA H A 10 ALA N A 9 GLY C 84 87 70759836.12 . 3012165.5 . 7.697078796 . 120.5066113 . 180.345168 . A 11 ILE H A 11 ILE N A 10 ALA C 124 127 72703222 . 3077093.75 . 7.80765781 . 118.3945467 . 177.1097911 . A 12 LEU H A 12 LEU N A 11 ILE C 129 132 135990386.8 . 5831129.5 . 8.438133575 . 118.2941385 . 177.8428186 . A 13 ALA H A 13 ALA N A 12 LEU C 69 72 140671898 . 6032627.5 . 7.671398189 . 119.1804937 . 179.1587036 . A 14 GLU H A 14 GLU N A 13 ALA C 207 213 63020969.88 . 2705056 . 8.717522773 . 117.1533473 . 177.3098713 . A 15 VAL H A 15 VAL N A 14 GLU C 118 121 122165879.2 . 5236115.5 . 8.466141215 . 122.6434235 . 180.4538138 . A 16 ILE H A 16 ILE N A 15 VAL C 14 16 94983742.75 . 4070947 . 8.533700578 . 111.0788 . 177.851736 . A 17 GLY H A 17 GLY N A 16 ILE C 206 212 35329700.12 . 1544383.5 . 7.934093694 . 120.4821563 . 175.5801686 . A 19 THR H A 19 THR N A 18 THR C 108 111 127548417.5 . 5464919.5 . 8.586465287 . 122.744991 . 177.4046885 . A 20 LEU H A 20 LEU N A 19 THR C 136 139 107554687.8 . 4603195.5 . 8.357160987 . 121.0793294 . 178.4961915 . A 21 MET H A 21 MET N A 20 LEU C 192 198 201053536.5 . 8638894 . 7.632825248 . 125.1801682 . 181.476068 . A 22 LYS H A 22 LYS N A 21 MET C 68 71 163107195.5 . 7042459 . 7.353856612 . 118.9292478 . 178.5787963 . A 23 PHE H A 23 PHE N A 22 LYS C 71 74 142216639.2 . 6140790 . 7.965908655 . 113.3677677 . 176.2740811 . A 24 SER H A 24 SER N A 23 PHE C 126 129 329410967 . 14262079 . 7.668103504 . 121.1908275 . 173.4626441 . A 25 GLU H A 25 GLU N A 24 SER C 2 2 129526451.5 . 5598903 . 9.205065374 . 111.775213 . 177.8480129 . A 26 GLY H A 26 GLY N A 25 GLU C 103 106 154759290 . 6672543 . 7.981787549 . 112.7868255 . 174.8704218 . A 27 PHE H A 27 PHE N A 26 GLY C 58 61 53369916.62 . 2255737.5 . 7.541753645 . 102.3423082 . 173.6976429 . A 28 THR H A 28 THR N A 27 PHE C 140 144 108774583.2 . 4427300.5 . 7.490775167 . 119.7675478 . 175.0314182 . A 29 ARG H A 29 ARG N A 28 THR C 49 52 168434197.5 . 7309574 . 9.052032131 . 130.8106049 . 178.1137422 . A 30 LEU H A 30 LEU N A 29 ARG C 1 1 325943437 . 14124133 . 9.264450742 . 118.8141287 . 177.3521861 . A 31 TRP H A 31 TRP N A 30 LEU C 63 66 84781496.5 . 3626339 . 7.212251623 . 113.6210225 . 178.4399601 . A 33 SER H A 33 SER N A 32 PRO C 151 155 215413512 . 8944564 . 8.398517677 . 121.9944604 . 175.3846132 . A 34 VAL H A 34 VAL N A 33 SER C 77 80 129984902.8 . 5584701.5 . 8.717232679 . 106.1064418 . 178.1873068 . A 35 GLY H A 35 GLY N A 34 VAL C 184 190 120675975 . 5217230.5 . 8.523415116 . 121.5136124 . 174.7311917 . A 36 THR H A 36 THR N A 35 GLY C 167 172 140473903.2 . 6046852 . 7.633049993 . 119.2730492 . 175.1051503 . A 37 ILE H A 37 ILE N A 37 ILE C 112 115 172270484.5 . 7249478.5 . 8.551346885 . 119.7676328 . 178.2214381 . A 38 ILE H A 38 ILE N A 37 ILE C 21 23 80520312.5 . 3448585 . 8.315739678 . 117.5906854 . 177.8666918 . A 39 CYS H A 39 CYS N A 38 ILE C 82 85 92298979.25 . 3951625.25 . 8.985692899 . 119.4033139 . 177.5863496 . A 40 TYR H A 40 TYR N A 39 CYS C 27 29 265336792.5 . 11159448 . 8.748698119 . 118.8820879 . 178.7659745 . A 41 CYS H A 41 CYS N A 40 TYR C 51 54 164497288.5 . 7057250.5 . 8.441159708 . 120.5910935 . 176.5243363 . A 42 ALA H A 42 ALA N A 41 CYS C 15 17 123855349.2 . 5393138.5 . 8.5408179 . 111.3886524 . 178.4925318 . A 43 SER H A 43 SER N A 42 ALA C 178 183 79220901.5 . 3411404.5 . 8.648147536 . 115.6264302 . 177.4632994 . A 44 PHE H A 44 PHE N A 43 SER C 52 55 163777304 . 7151233.5 . 8.436812055 . 120.8974798 . 177.699281 . A 45 TRP H A 45 TRP N A 44 PHE C 157 161 135178688.5 . 5794879.5 . 8.701520156 . 119.5743071 . 178.3507452 . A 46 LEU H A 46 LEU N A 45 TRP C 156 160 81545916.75 . 3556231.75 . 8.843721419 . 121.0807679 . 179.612365 . A 47 LEU H A 47 LEU N A 46 LEU C 85 88 125025804.5 . 5368627 . 8.392807045 . 122.7175072 . 179.4310855 . A 48 ALA H A 48 ALA N A 47 LEU C 42 45 119486599.5 . 5125616.5 . 7.168741752 . 113.299021 . 178.8946993 . A 49 GLN H A 49 GLN N A 48 ALA C 212 219 48178855.12 . 2040280 . 7.870244383 . 109.4770424 . 177.4177455 . A 50 THR H A 50 THR N A 49 GLN C 199 205 126696904.5 . 5464190 . 7.232796884 . 121.4919447 . 176.7844305 . A 51 LEU H A 51 LEU N A 50 THR C 123 126 150392312 . 6294261.5 . 7.772770926 . 118.4944907 . 177.5644124 . A 52 ALA H A 52 ALA N A 51 LEU C 25 27 112834921.5 . 4887956.5 . 7.651324566 . 113.7234327 . 177.4554301 . A 53 TYR H A 53 TYR N A 52 ALA C 153 157 180431539 . 7822789.5 . 7.858212613 . 119.6193065 . 175.225064 . A 54 ILE H A 54 ILE N A 53 TYR C 92 95 231954236 . 10038642 . 8.479554483 . 119.3000767 . 177.8880313 . A 56 THR H A 56 THR N A 55 PRO C 97 100 103789235.2 . 4465469.5 . 9.028343339 . 108.6012699 . 176.5151064 . A 57 GLY H A 57 GLY N A 56 THR C 95 98 158964339.5 . 6891437.5 . 6.919374201 . 120.5387295 . 176.2625554 . A 58 ILE H A 58 ILE N A 57 GLY C 201 207 140977953 . 6073417.5 . 7.976629679 . 121.0748488 . 177.2827755 . A 59 ALA H A 59 ALA N A 58 ILE C 179 184 144256453.2 . 6230216.5 . 8.730840527 . 116.5361235 . 179.2710331 . A 60 TYR H A 60 TYR N A 59 ALA C 152 156 131322280.8 . 5655016 . 7.874782255 . 119.4518612 . 177.1593674 . A 61 ALA H A 61 ALA N A 60 TYR C 9 10 142311989 . 6119744 . 8.141475812 . 115.8695753 . 179.2115187 . A 62 ILE H A 62 ILE N A 61 ALA C 171 176 102201367 . 4448780 . 8.293358453 . 121.2229452 . 176.5591346 . A 63 TRP H A 63 TRP N A 62 ILE C 132 135 53382569.88 . 2254303.5 . 8.545041755 . 116.2209389 . 179.9719649 . A 64 VAL H A 64 VAL N A 63 TRP C 12 14 31476875.38 . 1371595.5 . 7.962479292 . 104.496415 . 177.3454122 . A 65 GLY H A 65 GLY N A 64 VAL C 7 8 111743494.5 . 4747229.5 . 8.583295927 . 117.3527243 . 173.4798007 . A 66 VAL H A 66 VAL N A 65 GLY C 210 217 23725524.62 . 975585.8125 . 9.029392693 . 110.2841811 . 178.1055958 . A 67 GLY H A 67 GLY N A 66 VAL C 142 146 133351621.5 . 5747575 . 8.579695203 . 119.3493289 . 175.854446 . A 68 ILE H A 68 ILE N A 67 GLY C 114 117 141958034.5 . 6142250.5 . 7.206533645 . 120.0296151 . 178.8252903 . A 69 VAL H A 69 VAL N A 68 ILE C 24 26 73952533.5 . 3205718.75 . 8.824268785 . 118.233823 . 177.5156036 . A 70 LEU H A 70 LEU N A 69 VAL C 91 94 148947310 . 6383732.5 . 9.407303278 . 119.4390646 . 179.3625171 . A 71 ILE H A 71 ILE N A 70 LEU C 43 46 81224311.25 . 3537672.25 . 7.563973477 . 120.1351688 . 179.7158875 . A 72 SER H A 72 SER N A 71 ILE C 168 173 186515281.5 . 8029726 . 8.391537598 . 124.326831 . 177.0363412 . A 73 LEU H A 73 LEU N A 72 SER C 217 228 240820893 . 10064385 . 8.74123083 . 118.8879871 . 178.819094 . A 74 LEU H A 74 LEU N A 73 LEU C 107 110 125175151.2 . 5443053.5 . 8.176082304 . 114.937523 . 179.0326365 . A 75 SER H A 75 SER N A 74 LEU C 183 189 156289311.5 . 6734512 . 7.980789592 . 126.2712805 . 177.3795649 . A 76 TRP H A 76 TRP N A 75 SER C 62 65 131968159 . 5708614.5 . 8.284227721 . 104.4936734 . 177.9496387 . A 77 GLY H A 77 GLY N A 76 TRP C 204 210 155417817 . 6749266.5 . 8.366164991 . 113.6582472 . 173.7107857 . A 78 PHE H A 78 PHE N A 77 GLY C 46 49 110664306 . 4722764 . 6.863778137 . 112.1526285 . 176.818713 . A 79 PHE H A 79 PHE N A 78 PHE C 11 13 129371373.5 . 5570278.5 . 7.511698887 . 109.5567456 . 176.4477509 . A 80 GLY H A 80 GLY N A 79 PHE C 127 130 210861429 . 9109724 . 7.383118054 . 118.7859523 . 174.8940621 . A 81 GLN H A 81 GLN N A 80 GLY C 148 152 387657216 . 16860918 . 8.033186953 . 126.7227696 . 174.3318707 . A 82 ARG H A 82 ARG N A 81 GLN C 169 174 223655378.5 . 9620532 . 6.997514424 . 122.5401846 . 175.3292053 . A 83 LEU H A 83 LEU N A 82 ARG C 174 179 329358214 . 14150925 . 7.484666481 . 118.9954328 . 174.7851919 . A 84 ASP H A 84 ASP N A 83 LEU C 26 28 461478063 . 19681494 . 8.730680517 . 118.340724 . 175.2820906 . A 85 LEU H A 85 LEU N A 84 ASP C 39 41 191343198 . 8107774.5 . 7.536632406 . 117.2401269 . 177.8439091 . A 87 ALA H A 87 ALA N A 86 PRO C 188 194 173517271 . 7485350.5 . 8.152698883 . 117.8666409 . 178.8675392 . A 88 ILE H A 88 ILE N A 87 ALA C 74 77 153076211.2 . 6421529 . 8.81869794 . 119.3829272 . 178.4130564 . A 89 ILE H A 89 ILE N A 88 ILE C 79 82 120183831.2 . 5222332.5 . 8.757502293 . 107.6775613 . 178.4234981 . A 90 GLY H A 90 GLY N A 89 ILE C 36 38 126489679 . 5436825.5 . 8.767070364 . 120.745034 . 175.911808 . A 91 MET H A 91 MET N A 90 GLY C 110 113 182804088.5 . 7744887 . 8.579457746 . 119.92831 . 178.2564658 . A 92 MET H A 92 MET N A 91 MET C 64 67 139625175.2 . 6070437.5 . 8.259185929 . 120.4794132 . 178.1492797 . A 93 LEU H A 93 LEU N A 92 MET C 194 200 90361960.25 . 3825473.75 . 7.962402515 . 118.3884548 . 178.7758663 . A 94 ILE H A 94 ILE N A 93 LEU C 23 25 126093821.5 . 5445064.5 . 8.40185628 . 117.7800694 . 177.1999499 . A 95 CYS H A 95 CYS N A 94 ILE C 72 75 131026215.2 . 5655084.5 . 8.787518156 . 119.4379275 . 176.2726926 . A 96 ALA H A 96 ALA N A 95 CYS C 18 20 112765859.2 . 4894849.5 . 8.308547325 . 120.8217495 . 175.176231 . A 98 VAL H A 98 VAL N A 97 GLY C 144 148 123754921.8 . 5323565 . 8.296140437 . 118.6342122 . 178.4266981 . A 100 ILE H A 100 ILE N A 99 LEU C 195 201 125967192.2 . 5434768 . 7.94010856 . 118.4490091 . 177.8041999 . A 101 ILE H A 101 ILE N A 100 ILE C 54 57 71392749 . 3083197.75 . 7.926656867 . 114.7486384 . 177.1014868 . A 102 ASN H A 102 ASN N A 101 ILE C 193 199 106541464.2 . 4658260 . 8.248268061 . 114.4023835 . 176.2025678 . A 103 LEU H A 103 LEU N A 102 ASN C 162 166 102244923.2 . 4401555.5 . 7.661064236 . 114.9996685 . 177.4406932 . A 104 LEU H A 104 LEU N A 103 LEU C 59 62 233373689.5 . 10114754 . 7.133076827 . 112.2797356 . 176.6975077 . A 105 SER H A 105 SER N A 104 LEU C 44 47 330688690 . 14384848 . 9.424435821 . 127.3227113 . 175.5308908 . A 106 ARG H A 106 ARG N A 105 SER C 160 164 468722108 . 20517506 . 8.453675163 . 116.9859777 . 176.672406 . A 107 SER H A 107 SER N A 106 ARG C 96 99 1374888560 . 61050308 . 7.651245351 . 116.592514 . 174.0668111 . A 108 THR H A 108 THR N A 107 SER C 120 123 1775687296 . 78801864 . 7.916057739 . 123.7639197 . 175.8267066 . A 110 HIS H A 110 HIS N A 109 PRO C 130 133 494687573 . 21606346 . 8.379188251 . 122.6756975 . 174.9901631 . B 2 ASN H B 2 ASN N B 1 MET C 40 42 104705658.5 . 4449836.5 . 8.410374347 . 116.3661061 . 177.9958242 . B 4 TYR H B 4 TYR N B 3 PRO C 17 19 94569003 . 4060618 . 7.880475606 . 121.2638034 . 178.4721676 . B 5 ILE H B 5 ILE N B 4 TYR C 104 107 98233253.25 . 4201717 . 6.854840437 . 118.7313078 . 178.1943332 . B 6 TYR H B 6 TYR N B 5 ILE C 101 104 180474144 . 7667006.5 . 7.866089536 . 120.4645561 . 178.18701 . B 7 LEU H B 7 LEU N B 6 TYR C 190 196 92087793 . 3993320.25 . 8.816438023 . 106.631643 . 178.8028524 . B 8 GLY H B 8 GLY N B 7 LEU C 137 140 116823540.8 . 5046745 . 8.753718879 . 109.6037912 . 175.7257243 . B 9 GLY H B 9 GLY N B 8 GLY C 196 202 137215513 . 5941004 . 8.910478489 . 125.6304544 . 174.3988217 . B 10 ALA H B 10 ALA N B 9 GLY C 115 118 96508493.5 . 4181819.75 . 8.537097896 . 122.5546298 . 182.2949348 . B 11 ILE H B 11 ILE N B 10 ALA C 128 131 101556902.2 . 4349401 . 8.550682652 . 121.0909908 . 177.2749624 . B 12 LEU H B 12 LEU N B 11 ILE C 73 76 175149260 . 7127660.5 . 8.741243412 . 119.177623 . 178.5248133 . B 13 ALA H B 13 ALA N B 12 LEU C 13 15 136994465.5 . 5889185.5 . 7.88065813 . 118.0331158 . 179.427505 . B 14 GLU H B 14 GLU N B 13 ALA C 119 122 106325933.8 . 4592358.5 . 8.492895874 . 123.0180107 . 177.7882561 . B 15 VAL H B 15 VAL N B 14 GLU C 145 149 143233618 . 6200979 . 8.711868446 . 121.9369996 . 178.8801435 . B 16 ILE H B 16 ILE N B 15 VAL C 185 191 117684312.5 . 5058261 . 8.5076257 . 107.0028115 . 178.0129491 . B 17 GLY H B 17 GLY N B 16 ILE C 98 101 77645853 . 3278390.75 . 7.746808237 . 119.5080514 . 175.1370195 . B 19 THR H B 19 THR N B 18 THR C 56 59 144866106 . 6147624.5 . 8.171325913 . 120.4642615 . 176.0802004 . B 20 LEU H B 20 LEU N B 19 THR C 3 3 155663447 . 6702483.5 . 8.01938603 . 120.7879411 . 178.7698565 . B 21 MET H B 21 MET N B 20 LEU C 154 158 226855026 . 9918202 . 7.621987433 . 122.4960955 . 181.0108231 . B 22 LYS H B 22 LYS N B 21 MET C 37 39 225310974 . 9688548 . 7.515483125 . 117.5815255 . 178.1490502 . B 23 PHE H B 23 PHE N B 22 LYS C 121 124 179681020.5 . 7767237.5 . 7.86033362 . 114.9185204 . 175.568349 . B 24 SER H B 24 SER N B 23 PHE C 202 208 352188433 . 15280302 . 8.089706769 . 122.041554 . 173.7150114 . B 25 GLU H B 25 GLU N B 24 SER C 47 50 189605391.5 . 8242095.5 . 9.136134866 . 112.8992094 . 177.9938413 . B 26 GLY H B 26 GLY N B 25 GLU C 164 168 211807389 . 9144064 . 7.879084824 . 113.6092288 . 174.6008194 . B 27 PHE H B 27 PHE N B 26 GLY C 57 60 49456081.38 . 2072511.25 . 7.531266519 . 102.4495933 . 174.0810341 . B 28 THR H B 28 THR N B 27 PHE C 76 79 161382580 . 6969050 . 7.554361233 . 120.6755736 . 175.3731412 . B 29 ARG H B 29 ARG N B 28 THR C 197 203 140127135.5 . 6096232 . 8.942687669 . 130.8523871 . 177.8533529 . B 30 LEU H B 30 LEU N B 29 ARG C 86 89 313067967 . 13608240 . 9.20124006 . 118.683649 . 177.4872972 . B 31 TRP H B 31 TRP N B 30 LEU C 45 48 124573823.2 . 5352255.5 . 7.241750375 . 115.3155718 . 179.0297328 . B 33 SER H B 33 SER N B 32 PRO C 150 154 240161723.5 . 10086505 . 8.418706243 . 121.9944604 . 175.2914352 . B 34 VAL H B 34 VAL N B 33 SER C 208 214 123216954 . 5372720 . 8.788017027 . 105.5508861 . 178.4646484 . B 35 GLY H B 35 GLY N B 34 VAL C 139 143 110591042.2 . 4738094.5 . 8.267998071 . 121.457025 . 174.8009243 . B 36 THR H B 36 THR N B 35 GLY C 173 178 154516025.5 . 6428495.5 . 7.478350426 . 119.3729334 . 175.19502 . B 37 ILE H B 37 ILE N B 36 THR C 89 92 249141235.5 . 10465741 . 8.391800961 . 119.191687 . 178.2576094 . B 38 ILE H B 38 ILE N B 37 ILE C 198 204 99961565.75 . 4335991 . 8.268858415 . 116.6583191 . 177.7460764 . B 39 CYS H B 39 CYS N B 38 ILE C 29 31 153084181 . 6626141 . 8.730456003 . 119.1670736 . 177.7261904 . B 40 TYR H B 40 TYR N B 39 CYS C 6 6 163991645.5 . 6912663.5 . 8.559585171 . 117.5442628 . 177.3242048 . B 41 CYS H B 41 CYS N B 40 TYR C 20 22 173405599 . 7402004.5 . 8.414547041 . 120.1239284 . 176.6608728 . B 42 ALA H B 42 ALA N B 41 CYS C 187 193 142024772.5 . 6118489 . 8.390872497 . 112.5731015 . 178.5297946 . B 43 SER H B 43 SER N B 42 ALA C 175 180 131461702.8 . 5713428.5 . 8.214499841 . 116.2159363 . 176.7774696 . B 44 PHE H B 44 PHE N B 43 SER C 35 37 136321339 . 5884362.5 . 8.627018984 . 120.7132259 . 177.6675528 . B 45 TRP H B 45 TRP N B 44 PHE C 4 4 183384447 . 7734106.5 . 8.828089653 . 119.1830558 . 178.5686819 . B 46 LEU H B 46 LEU N B 45 TRP C 189 195 91925447 . 3974108.25 . 8.668774925 . 122.3263348 . 179.4813299 . B 47 LEU H B 47 LEU N B 46 LEU C 53 56 125858189 . 5460382.5 . 8.454913169 . 120.9939079 . 179.5472481 . B 48 ALA H B 48 ALA N B 47 LEU C 165 169 140274178.5 . 6041086 . 7.249905032 . 114.4413769 . 180.4396376 . B 49 GLN H B 49 GLN N B 48 ALA C 211 218 37681603.38 . 1604247.875 . 7.463394813 . 109.7823228 . 177.60041 . B 50 THR H B 50 THR N B 49 GLN C 125 128 93412271.5 . 4046323.5 . 6.976365534 . 117.9740887 . 177.0608634 . B 51 LEU H B 51 LEU N B 50 THR C 155 159 178192800.5 . 7761806 . 7.00823172 . 119.5893747 . 176.462246 . B 52 ALA H B 52 ALA N B 51 LEU C 10 11 83364327.5 . 3597370.5 . 7.483975893 . 112.8196634 . 177.4772785 . B 53 TYR H B 53 TYR N B 52 ALA C 172 177 158680570 . 6838541 . 7.729382283 . 119.1576852 . 174.657162 . B 54 ILE H B 54 ILE N B 53 TYR C 181 187 124004121.2 . 5321482.5 . 9.022811339 . 123.3618306 . 177.2564398 . B 56 THR H B 56 THR N B 55 PRO C 205 211 77250770.25 . 3324210 . 10.06543904 . 106.7440614 . 176.306125 . B 57 GLY H B 57 GLY N B 56 THR C 147 151 148005452.5 . 6423832.5 . 6.523015011 . 117.8060309 . 175.0798689 . B 58 ILE H B 58 ILE N B 57 GLY C 203 209 127952121.2 . 5551827.5 . 8.081114292 . 121.7913774 . 176.9046144 . B 59 ALA H B 59 ALA N B 58 ILE C 87 90 122085784.5 . 5216675 . 8.726575064 . 117.2327237 . 178.2718832 . B 60 TYR H B 60 TYR N B 59 ALA C 176 181 159461031.5 . 6880204 . 8.084536836 . 117.9280382 . 177.0779225 . B 61 ALA H B 61 ALA N B 60 TYR C 31 33 128946084.8 . 5575704.5 . 8.548840288 . 116.9546051 . 179.7149218 . B 62 ILE H B 62 ILE N B 61 ALA C 180 185 106638675.5 . 4629200 . 8.778555582 . 121.7245836 . 177.1550935 . B 63 TRP H B 63 TRP N B 62 ILE C 117 120 48169816.12 . 2043552.75 . 8.369289097 . 116.714988 . 180.0703392 . B 64 VAL H B 64 VAL N B 63 TRP C 149 153 77478052.5 . 3277008 . 8.561047958 . 108.2077941 . 178.6788693 . B 65 GLY H B 65 GLY N B 64 VAL C 100 103 127435067.2 . 5510828 . 9.055612107 . 120.3762787 . 174.8944657 . B 66 VAL H B 66 VAL N B 65 GLY C 209 215 33420490.19 . 1457226.875 . 7.166190164 . 105.3802043 . 177.9813362 . B 67 GLY H B 67 GLY N B 66 VAL C 102 105 154464755 . 6600106.5 . 7.382611157 . 120.3031184 . 174.6303557 . B 68 ILE H B 68 ILE N B 67 GLY C 170 175 145317041.8 . 6252705 . 7.579141193 . 122.6839447 . 178.4936688 . B 69 VAL H B 69 VAL N B 68 ILE C 30 32 84462329.75 . 3626987.25 . 8.134814897 . 117.0395813 . 177.0480067 . B 70 LEU H B 70 LEU N B 69 VAL C 90 93 190619145.5 . 8215211.5 . 8.427673106 . 118.905554 . 178.8439106 . B 71 ILE H B 71 ILE N B 70 LEU C 65 68 132074062 . 5675728.5 . 7.976964308 . 119.1464127 . 178.4199551 . B 72 SER H B 72 SER N B 71 ILE C 48 51 197007462 . 8494773 . 8.143473616 . 120.7171365 . 176.4430783 . B 73 LEU H B 73 LEU N B 72 SER C 111 114 198379446.5 . 8621424 . 8.603381056 . 119.8737816 . 179.3699052 . B 74 LEU H B 74 LEU N B 73 LEU C 161 165 190543309 . 8241633.5 . 8.478852457 . 116.9691113 . 179.2618201 . B 75 SER H B 75 SER N B 74 LEU C 106 109 195536025.5 . 8424641 . 7.837754044 . 124.1460429 . 176.5934681 . B 76 TRP H B 76 TRP N B 75 SER C 34 36 133154226.8 . 5780079.5 . 8.695543479 . 105.1606515 . 177.9042707 . B 77 GLY H B 77 GLY N B 76 TRP C 50 53 114526807 . 5017496.5 . 8.191660016 . 113.2947215 . 173.5161584 . B 78 PHE H B 78 PHE N B 77 GLY C 80 83 151250668 . 6566404.5 . 7.184515173 . 113.9960026 . 176.0785559 . B 79 PHE H A 79 PHE N B 78 PHE C 200 206 236986403 . 10278620 . 7.902621648 . 108.8440764 . 176.8994799 . B 80 GLY H B 80 GLY N B 79 PHE C 81 84 407683181 . 17821440 . 7.75400976 . 120.4283048 . 174.6268799 . B 81 GLN H B 81 GLN N B 80 GLY C 70 73 717532196 . 31628754 . 8.239036846 . 123.9571827 . 174.9688606 . B 82 ARG H B 82 ARG N B 81 GLN C 166 171 655702198 . 28714820 . 8.080718684 . 124.2311183 . 176.5791734 . B 83 LEU H B 83 LEU N B 82 ARG C 67 70 469276999 . 20455714 . 7.442085407 . 120.3996773 . 174.6652848 . B 84 ASP H B 84 ASP N B 83 LEU C 28 30 433620096 . 18310962 . 8.732085018 . 118.707767 . 175.2820906 . B 85 LEU H B 85 LEU N B 84 ASP C 38 40 203100199.5 . 8613918 . 7.516842604 . 117.6158232 . 177.5139454 . B 87 ALA H B 87 ALA N B 86 PRO C 138 141 188442502 . 8118390 . 7.949341603 . 117.8564216 . 179.3413506 . B 88 ILE H B 88 ILE N B 87 ALA C 158 162 161571004.5 . 6964061.5 . 8.663253423 . 119.5782595 . 178.2560698 . B 89 ILE H B 89 ILE N B 88 ILE C 22 24 127252394.2 . 5563403 . 8.866836622 . 107.4570402 . 178.4309299 . B 90 GLY H B 90 GLY N B 89 ILE C 133 136 159705355.5 . 6845244.5 . 8.525040259 . 119.6881357 . 175.6258312 . B 91 MET H B 91 MET N B 90 GLY C 88 91 259901309 . 10851343 . 8.395830474 . 119.567538 . 178.4077912 . B 92 MET H B 92 MET N B 91 MET C 146 150 112341195.5 . 4921213 . 8.276898222 . 119.4915368 . 177.9554882 . B 93 LEU H B 93 LEU N B 92 MET C 61 64 86201071.25 . 3708522.25 . 7.821385701 . 118.000227 . 178.5543052 . B 94 ILE H B 94 ILE N B 93 LEU C 8 9 102388087 . 4446250 . 8.150132607 . 116.3428441 . 177.7874227 . B 95 CYS H B 95 CYS N B 94 ILE C 109 112 136396100 . 5881773.5 . 8.606773845 . 120.1610023 . 176.2375817 . B 96 ALA H B 96 ALA N B 95 CYS C 105 108 122871447.2 . 5332400 . 8.463900485 . 105.6274218 . 178.7523039 . B 97 GLY H B 97 GLY N B 96 ALA C 16 18 129801191.5 . 5592587.5 . 8.206612663 . 120.2157687 . 175.0286437 . B 98 VAL H B 98 VAL N B 97 GLY C 191 197 140490663.5 . 6055465.5 . 8.039863636 . 119.5826713 . 177.6359439 . B 99 LEU H B 99 LEU N B 98 VAL C 141 145 152069559.2 . 6111575.5 . 8.418333556 . 119.0831682 . 178.2657558 . B 100 ILE H B 100 ILE N B 99 LEU C 122 125 166912603.5 . 7137356 . 7.796112037 . 118.4487919 . 177.7117054 . B 101 ILE H B 101 ILE N B 100 ILE C 116 119 124514280 . 5404109 . 8.114561586 . 115.0408019 . 177.5703406 . B 102 ASN H B 102 ASN N B 101 ILE C 55 58 131810805.2 . 5699438.5 . 8.477166106 . 114.5177425 . 176.4668211 . B 103 LEU H B 103 LEU N B 102 ASN C 93 96 111180355 . 4827521 . 7.8218255 . 114.1854736 . 178.2411997 . B 104 LEU H B 104 LEU N B 103 LEU C 182 188 174146910 . 7551151.5 . 7.473831533 . 111.6549328 . 177.0823063 . B 105 SER H B 105 SER N B 104 LEU C 113 116 165085373 . 7130439.5 . 10.11628366 . 129.4921895 . 176.4588717 . B 106 ARG H B 106 ARG N B 105 SER C 5 5 79305159.62 . 3272107 . 8.539771519 . 117.5442628 . 177.1346829 . B 107 SER H B 107 SER N B 106 ARG C 135 138 606182460 . 26419380 . 7.530977674 . 114.0475762 . 173.4409198 . B 108 THR H B 108 THR N B 107 SER C 134 137 2605066120 . 117054256 . 7.763372806 . 123.4232267 . 175.7634901 . B 110 HIS H B 110 HIS N B 109 PRO C ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51026 2 2 . . C 13 C . . . ppm . . . . . . 51026 2 3 . . N 15 N . . . ppm . . . . . . 51026 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51026 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCOCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 750.2940063 6.701551971 11.99819115 circular true true 2 ppm 15N 76.03500366 35.07157051 135.9117923 circular true false 3 ppm 13C 188.6710052 28.64989656 71.55578628 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 80 90 6540434640 . 271974784 . 8.303500492 . 122.6762611 . 54.77227121 . A 2 ASN H A 2 ASN N A 1 MET CA 152 170 821429378 . 33482228 . 8.437021433 . 116.5544288 . 64.49625582 . A 4 TYR H A 4 TYR N A 3 PRO CA 71 80 749433920 . 30740624 . 7.837134673 . 120.7262278 . 61.88469711 . A 5 ILE H A 5 ILE N A 4 TYR CA 40 46 690902104 . 30144378 . 6.775596566 . 118.4425944 . 64.33331236 . A 6 TYR H A 6 TYR N A 5 ILE CA 78 88 1235608172 . 51542992 . 7.712854883 . 118.8637439 . 61.12301985 . A 7 LEU H A 7 LEU N A 6 TYR CA 68 76 849352050 . 35502896 . 8.426494663 . 105.3681133 . 57.19546526 . A 8 GLY H A 8 GLY N A 7 LEU CA 87 97 732403346 . 31449796 . 8.360699943 . 107.5396627 . 47.14626464 . A 9 GLY H A 9 GLY N A 8 GLY CA 156 174 1010242284 . 41900768 . 8.407576933 . 125.7233116 . 47.33140132 . A 10 ALA H A 10 ALA N A 9 GLY CA 79 89 595824628 . 24878644 . 7.701956964 . 120.4490314 . 55.27402282 . A 11 ILE H A 11 ILE N A 10 ALA CA 114 129 706850734 . 29315706 . 7.794862498 . 118.5633655 . 64.0848699 . A 12 LEU H A 12 LEU N A 11 ILE CA 119 134 1355352052 . 55813048 . 8.426416917 . 118.4190281 . 57.34891649 . A 13 ALA H A 13 ALA N A 12 LEU CA 64 71 1157761664 . 47432424 . 7.660903425 . 119.1952588 . 55.23904041 . A 14 GLU H A 14 GLU N A 13 ALA CA 198 229 684954660 . 28494278 . 8.698555221 . 117.1771605 . 61.10076118 . A 15 VAL H A 15 VAL N A 14 GLU CA 109 123 813284098 . 33539374 . 8.444232475 . 122.793692 . 65.56368548 . A 16 ILE H A 16 ILE N A 15 VAL CA 14 16 962222684 . 40816940 . 8.516514896 . 111.1576042 . 65.01844291 . A 17 GLY H A 17 GLY N A 16 ILE CA 99 112 209392574.5 . 8640570 . 8.565117852 . 122.8350975 . 67.62889631 . A 20 LEU H A 20 LEU N A 19 THR CA 126 141 818631674 . 34536772 . 8.340332703 . 121.1730433 . 57.95195931 . A 21 MET H A 21 MET N A 20 LEU CA 184 208 1446576552 . 60705744 . 7.610323545 . 125.3000475 . 58.72092295 . A 22 LYS H A 22 LYS N A 21 MET CA 63 70 1451014788 . 60879108 . 7.338080624 . 119.0036243 . 59.78132399 . A 23 PHE H A 23 PHE N A 22 LYS CA 66 73 831528814 . 34287908 . 7.949511703 . 113.3679547 . 60.261258 . A 24 SER H A 24 SER N A 23 PHE CA 116 131 2784908872 . 115842304 . 7.649843033 . 121.3010144 . 60.30667996 . A 25 GLU H A 25 GLU N A 24 SER CA 2 2 1078729840 . 44532324 . 9.199573734 . 111.8985209 . 55.98939542 . A 26 GLY H A 26 GLY N A 25 GLU CA 94 107 1252903456 . 51877640 . 7.96658384 . 112.9313886 . 46.0324782 . A 27 PHE H A 27 PHE N A 26 GLY CA 206 238 429199484 . 18251578 . 7.49392624 . 102.4663098 . 59.82605177 . A 28 THR H A 28 THR N A 27 PHE CA 132 148 1108042978 . 47031776 . 7.469891867 . 119.9534592 . 62.00784422 . A 29 ARG H A 29 ARG N A 28 THR CA 48 55 1325729396 . 55783908 . 9.042246527 . 130.9310995 . 54.08709985 . A 30 LEU H A 30 LEU N A 29 ARG CA 1 1 3316327696 . 137706976 . 9.259052652 . 118.9192915 . 59.79636563 . A 31 TRP H A 31 TRP N A 30 LEU CA 59 66 638237062 . 26189292 . 7.194147425 . 113.7305044 . 65.35761569 . A 33 SER H A 33 SER N A 32 PRO CA 145 163 1457416932 . 58648944 . 8.379885649 . 121.9944604 . 63.68131991 . A 34 VAL H A 34 VAL N A 33 SER CA 70 79 1492602544 . 61971416 . 8.706812449 . 106.2075341 . 66.51181671 . A 35 GLY H A 35 GLY N A 34 VAL CA 176 199 1090562460 . 45763592 . 8.506749498 . 121.6519395 . 47.95350539 . A 36 THR H A 36 THR N A 35 GLY CA 160 178 818009792 . 33717032 . 7.616981908 . 119.4346525 . 68.96233462 . A 37 ILE H A 37 ILE N A 36 THR CA 123 138 1205553724 . 50275360 . 8.539411585 . 119.7408946 . 65.67509423 . A 38 ILE H A 38 ILE N A 37 ILE CA 21 24 654636588 . 26773472 . 8.302789467 . 117.7707045 . 65.69587159 . A 39 CYS H A 39 CYS N A 38 ILE CA 77 87 596516934 . 25326068 . 8.972436252 . 119.4643674 . 65.20217447 . A 40 TYR H A 40 TYR N A 39 CYS CA 27 30 3225786128 . 132505832 . 8.736912107 . 118.8986934 . 58.21734586 . A 41 CYS H A 41 CYS N A 40 TYR CA 52 59 1460646228 . 59870520 . 8.422937952 . 120.6619466 . 65.37888711 . A 42 ALA H A 42 ALA N A 41 CYS CA 15 17 1014887472 . 41693348 . 8.519714701 . 111.481014 . 55.13149066 . A 43 SER H A 43 SER N A 42 ALA CA 209 241 384866969 . 16046291 . 8.61945479 . 115.566211 . 62.66871993 . A 44 PHE H A 44 PHE N A 43 SER CA 51 58 1264752616 . 51832324 . 8.420081026 . 121.0222178 . 62.57704236 . A 45 TRP H A 45 TRP N A 44 PHE CA 151 169 1217175400 . 50258432 . 8.691559235 . 119.6921066 . 62.33279139 . A 46 LEU H A 46 LEU N A 45 TRP CA 150 168 575184074 . 24735586 . 8.836304317 . 120.9799003 . 58.06927723 . A 47 LEU H A 47 LEU N A 46 LEU CA 120 135 1275623132 . 53048996 . 8.376397605 . 122.8243537 . 57.38189759 . A 48 ALA H A 48 ALA N A 47 LEU CA 42 48 990372316 . 41691364 . 7.148970066 . 113.4124596 . 54.56977571 . A 49 GLN H A 49 GLN N A 48 ALA CA 191 218 1166570784 . 48523456 . 7.205076632 . 121.7268225 . 64.16995784 . A 51 LEU H A 51 LEU N A 50 THR CA 112 127 1339353608 . 56053552 . 7.765613992 . 118.5030109 . 56.79598196 . A 52 ALA H A 52 ALA N A 51 LEU CA 25 28 891811574 . 37578228 . 7.64458285 . 113.6923014 . 52.82904035 . A 53 TYR H A 53 TYR N A 52 ALA CA 146 164 1610997144 . 66553312 . 7.843140061 . 119.6707195 . 58.29724624 . A 54 ILE H A 54 ILE N A 53 TYR CA 85 95 2178692444 . 90172784 . 8.46870416 . 119.3940175 . 62.51463358 . A 56 THR H A 56 THR N A 55 PRO CA 90 102 1019523734 . 42803548 . 9.01788887 . 108.684968 . 66.07318296 . A 57 GLY H A 57 GLY N A 56 THR CA 88 98 1435398712 . 60342496 . 6.899314981 . 120.6193115 . 46.94713938 . A 58 ILE H A 58 ILE N A 57 GLY CA 193 222 989651120 . 41109508 . 7.964755678 . 121.1430873 . 64.05818599 . A 59 ALA H A 59 ALA N A 58 ILE CA 199 231 1011929528 . 39684432 . 8.706658462 . 116.5957013 . 55.31130547 . A 60 TYR H A 60 TYR N A 59 ALA CA 147 165 1205199364 . 49116968 . 7.857976385 . 119.5542557 . 61.07734436 . A 61 ALA H A 61 ALA N A 60 TYR CA 9 11 1154215308 . 47910424 . 8.126313884 . 115.9233528 . 55.09760551 . A 62 ILE H A 62 ILE N A 61 ALA CA 164 182 891839124 . 37347276 . 8.26960459 . 121.3792108 . 65.16279287 . A 63 TRP H A 63 TRP N A 62 ILE CA 121 136 565712756 . 22909824 . 8.532699846 . 116.4481044 . 59.66632085 . A 64 VAL H A 64 VAL N A 63 TRP CA 200 232 338325584 . 12845250 . 7.941782358 . 104.5501457 . 67.32898727 . A 65 GLY H A 65 GLY N A 64 VAL CA 7 7 741831774 . 31446868 . 8.569420774 . 117.4096641 . 47.75151459 . A 66 VAL H A 66 VAL N A 65 GLY CA 203 235 640304884 . 27373122 . 9.027045418 . 110.4037446 . 65.71028014 . A 67 GLY H A 67 GLY N A 66 VAL CA 136 152 972076406 . 40609620 . 8.567568156 . 119.4722033 . 47.05216055 . A 68 ILE H A 68 ILE N A 67 GLY CA 104 117 1354618084 . 56995356 . 7.188458929 . 120.1197385 . 65.87266778 . A 69 VAL H A 69 VAL N A 68 ILE CA 24 27 834343110 . 34449080 . 8.811074193 . 118.2663359 . 66.6580905 . A 70 LEU H A 70 LEU N A 69 VAL CA 84 94 1264383964 . 52009172 . 9.394472814 . 119.5147236 . 57.96674153 . A 71 ILE H A 71 ILE N A 70 LEU CA 43 49 487246941 . 20934122 . 7.546622452 . 120.2245449 . 62.21595225 . A 72 SER H A 72 SER N A 71 ILE CA 161 179 1138901992 . 46074980 . 8.378017836 . 124.4438254 . 62.99514266 . A 73 LEU H A 73 LEU N A 72 SER CA 215 247 2916142432 . 118225720 . 8.726462531 . 118.8986934 . 58.19275862 . A 74 LEU H A 74 LEU N A 73 LEU CA 98 111 1145709268 . 48239584 . 8.159199576 . 115.0809435 . 58.13520254 . A 75 SER H A 75 SER N A 74 LEU CA 175 198 506410338 . 21125306 . 7.961881858 . 126.4577013 . 62.64302704 . A 76 TRP H A 76 TRP N A 75 SER CA 58 65 1215237524 . 50664656 . 8.267538752 . 104.5761775 . 59.63334176 . A 77 GLY H A 77 GLY N A 76 TRP CA 196 226 1608410676 . 67472848 . 8.348307916 . 113.7146712 . 46.98172886 . A 78 PHE H A 78 PHE N A 77 GLY CA 46 53 872878554 . 37043896 . 6.843243967 . 112.1858532 . 59.57799104 . A 79 PHE H A 79 PHE N A 78 PHE CA 12 14 1580972736 . 68260720 . 7.490452515 . 109.6031078 . 55.20264406 . A 80 GLY H A 80 GLY N A 79 PHE CA 117 132 2052381160 . 84795080 . 7.362130389 . 118.8350156 . 46.23516506 . A 81 GLN H A 81 GLN N A 80 GLY CA 143 160 3896313296 . 162053424 . 8.026571357 . 126.8710224 . 55.93434345 . A 82 ARG H A 82 ARG N A 81 GLN CA 162 180 2530859160 . 105061704 . 6.990542532 . 122.5962159 . 55.06704964 . A 83 LEU H A 83 LEU N A 82 ARG CA 166 184 2673072856 . 110863592 . 7.471360104 . 119.1388302 . 53.0758809 . A 84 ASP H A 84 ASP N A 83 LEU CA 26 29 4957890144 . 205664528 . 8.720266212 . 118.4478852 . 50.91342634 . A 85 LEU H A 85 LEU N A 84 ASP CA 36 41 2475146040 . 100355368 . 7.515279197 . 117.3706335 . 66.22553714 . A 87 ALA H A 87 ALA N A 86 PRO CA 180 204 1650861896 . 69031248 . 8.140147796 . 117.9680367 . 55.51556929 . A 88 ILE H A 88 ILE N A 87 ALA CA 76 85 1340559332 . 56077656 . 8.808136567 . 119.4043185 . 64.87786612 . A 89 ILE H A 89 ILE N A 88 ILE CA 72 81 1128074312 . 46964216 . 8.740699184 . 107.73143 . 64.26433919 . A 90 GLY H A 90 GLY N A 89 ILE CA 35 39 978067854 . 40673792 . 8.755283332 . 120.791664 . 47.65332771 . A 91 MET H A 91 MET N A 90 GLY CA 101 114 1250563868 . 51398280 . 8.568179379 . 120.0453074 . 60.15042154 . A 92 MET H A 92 MET N A 91 MET CA 60 67 1000800950 . 41672700 . 8.239520485 . 120.6076048 . 59.30543285 . A 93 LEU H A 93 LEU N A 92 MET CA 187 214 787388258 . 33010352 . 7.947589443 . 118.5063322 . 58.30364103 . A 94 ILE H A 94 ILE N A 93 LEU CA 23 26 837731740 . 34561764 . 8.385526088 . 117.8776578 . 65.33061209 . A 95 CYS H A 95 CYS N A 94 ILE CA 67 75 1108722016 . 45023812 . 8.772878966 . 119.4910568 . 63.23159901 . A 96 ALA H A 96 ALA N A 95 CYS CA 41 47 1006383568 . 41887924 . 8.496729717 . 104.9242016 . 55.00202986 . A 97 GLY H A 97 GLY N A 96 ALA CA 19 21 1074432252 . 44739372 . 8.291163895 . 120.883097 . 48.42681029 . A 98 VAL H A 98 VAL N A 97 GLY CA 138 154 1053858418 . 43475672 . 8.281200535 . 118.7501616 . 58.81363621 . A 100 ILE H A 100 ILE N A 99 LEU CA 186 211 1001776624 . 41720704 . 7.928321265 . 118.5985391 . 65.83032208 . A 101 ILE H A 101 ILE N A 100 ILE CA 53 60 676730628 . 27914602 . 7.910802574 . 114.8409485 . 65.77142996 . A 102 ASN H A 102 ASN N A 101 ILE CA 185 209 933263026 . 39389644 . 8.232294788 . 114.4601362 . 56.05420444 . A 103 LEU H A 103 LEU N A 102 ASN CA 155 173 1203772304 . 50164008 . 7.644429699 . 115.0593982 . 55.46573484 . A 104 LEU H A 104 LEU N A 103 LEU CA 55 62 2654624864 . 110055064 . 7.117953628 . 112.3759603 . 54.40884968 . A 105 SER H A 105 SER N A 104 LEU CA 44 50 3284965760 . 136215008 . 9.414779815 . 127.4462226 . 57.5928335 . A 106 ARG H A 106 ARG N A 105 SER CA 154 172 6090600544 . 252248112 . 8.441867049 . 117.0990262 . 55.54203437 . A 107 SER H A 107 SER N A 106 ARG CA 89 100 2.312652301e+10 . 961539776 . 7.638281867 . 116.7145877 . 58.50343125 . A 108 THR H A 108 THR N A 107 SER CA 110 124 3.218320218e+10 . 1353381248 . 7.906556313 . 123.8315127 . 63.07609809 . A 110 HIS H A 110 HIS N A 109 PRO CA 108 122 6623204608 . 276677824 . 8.375495864 . 122.7964408 . 54.75097913 . B 2 ASN H B 2 ASN N B 1 MET CA 39 44 1285359356 . 52891652 . 8.398665227 . 116.481808 . 64.29086016 . B 4 TYR H B 4 TYR N B 3 PRO CA 17 19 889427430 . 36673980 . 7.864073828 . 121.3666497 . 61.53551001 . B 5 ILE H B 5 ILE N B 4 TYR CA 95 108 873962694 . 36145952 . 6.841314397 . 118.7448424 . 64.40746782 . B 6 TYR H B 6 TYR N B 5 ILE CA 93 106 1048506806 . 43220972 . 7.84667051 . 120.4813609 . 61.23190306 . B 7 LEU H B 7 LEU N B 6 TYR CA 182 206 703032726 . 28451746 . 8.799185016 . 106.7871236 . 57.31623564 . B 8 GLY H B 8 GLY N B 7 LEU CA 127 142 737381026 . 30479806 . 8.73884636 . 109.7924353 . 47.10529437 . B 9 GLY H B 9 GLY N B 8 GLY CA 188 215 891908038 . 36907428 . 8.895072737 . 125.8730235 . 47.65847212 . B 10 ALA H B 10 ALA N B 9 GLY CA 105 118 527105142 . 22352796 . 8.523064069 . 122.7206145 . 55.43629921 . B 11 ILE H B 11 ILE N B 10 ALA CA 118 133 777154136 . 32061490 . 8.535226224 . 121.1837816 . 64.18451857 . B 12 LEU H B 12 LEU N B 11 ILE CA 30 33 2951173912 . 119912496 . 8.732559414 . 119.2830049 . 58.21184274 . B 13 ALA H B 13 ALA N B 12 LEU CA 13 15 840045774 . 33974020 . 7.863762721 . 118.136674 . 55.46286321 . B 14 GLU H B 14 GLU N B 13 ALA CA 130 146 901463716 . 37514440 . 8.477264468 . 123.1112629 . 59.25039377 . B 15 VAL H B 15 VAL N B 14 GLU CA 140 157 1111077108 . 47206804 . 8.695695363 . 121.9414074 . 66.31245918 . B 16 ILE H B 16 ILE N B 15 VAL CA 177 201 1023873586 . 44048816 . 8.492079279 . 107.2224212 . 65.00454624 . B 17 GLY H B 17 GLY N B 16 ILE CA 205 237 290308096.5 . 11522148 . 7.75717229 . 119.5352004 . 65.96720482 . B 19 THR H B 19 THR N B 18 THR CA 204 236 371620765 . 15255039 . 8.15591766 . 120.511237 . 67.39512453 . B 20 LEU H B 20 LEU N B 19 THR CA 4 4 1145183668 . 46916380 . 8.009688731 . 120.8929296 . 57.87577153 . B 21 MET H B 21 MET N B 20 LEU CA 148 166 1842747780 . 76687872 . 7.601623652 . 122.6472866 . 59.07640121 . B 22 LYS H B 22 LYS N B 21 MET CA 38 43 2004180632 . 83365560 . 7.498073224 . 117.6968191 . 58.57317384 . B 23 PHE H B 23 PHE N B 22 LYS CA 111 125 1292000532 . 54332076 . 7.845325413 . 115.0535699 . 58.59573523 . B 24 SER H B 24 SER N B 23 PHE CA 194 223 3364261752 . 138275392 . 8.074953068 . 122.1239409 . 60.08319645 . B 25 GLU H B 25 GLU N B 24 SER CA 47 54 1620307876 . 66959940 . 9.133263957 . 113.0166656 . 55.84798896 . B 26 GLY H B 26 GLY N B 25 GLU CA 157 175 1630924104 . 67431488 . 7.867324171 . 113.7071795 . 46.89197463 . B 27 PHE H B 27 PHE N B 26 GLY CA 207 239 442625700 . 19086926 . 7.495204 . 102.6040897 . 58.88739931 . B 28 THR H B 28 THR N B 27 PHE CA 69 78 1325319700 . 55427664 . 7.53185725 . 120.7925169 . 61.89378618 . B 29 ARG H B 29 ARG N B 28 THR CA 189 216 1420448432 . 59965724 . 8.934418482 . 130.9761218 . 54.18100899 . B 30 LEU H B 30 LEU N B 29 ARG CA 81 91 3118884704 . 129052592 . 9.195290271 . 118.7955005 . 59.65894242 . B 31 TRP H B 31 TRP N B 30 LEU CA 45 52 1206562732 . 50399360 . 7.221648764 . 115.381327 . 65.35561566 . B 33 SER H B 33 SER N B 32 PRO CA 139 156 1468376060 . 59016424 . 8.393947898 . 122.0068439 . 63.53998645 . B 34 VAL H B 34 VAL N B 33 SER CA 129 144 1128672004 . 46869108 . 8.773284864 . 105.6559603 . 66.45588793 . B 35 GLY H B 35 GLY N B 34 VAL CA 131 147 962928790 . 39654196 . 8.245919872 . 121.5982469 . 47.73167904 . B 36 THR H B 36 THR N B 35 GLY CA 167 185 847328732 . 35558752 . 7.463021956 . 119.3724034 . 68.49894649 . B 37 ILE H B 37 ILE N B 36 THR CA 135 151 990051836 . 41392384 . 8.376498135 . 119.3371045 . 65.26442029 . B 38 ILE H B 38 ILE N B 37 ILE CA 190 217 745720876 . 30851664 . 8.254034964 . 116.8214999 . 65.52377805 . B 39 CYS H B 39 CYS N B 38 ILE CA 28 31 1243833920 . 50879108 . 8.710507284 . 119.246813 . 65.04938623 . B 40 TYR H B 40 TYR N B 39 CYS CA 8 8 694163438 . 27990340 . 8.534941459 . 117.4711951 . 57.67721297 . B 41 CYS H B 41 CYS N B 40 TYR CA 20 22 1460646228 . 59870520 . 8.402561757 . 120.2979664 . 65.37888711 . B 42 ALA H B 42 ALA N B 41 CYS CA 179 203 1185228324 . 49219728 . 8.37681902 . 112.6642655 . 54.98248036 . B 43 SER H B 43 SER N B 42 ALA CA 168 187 848826162 . 35270560 . 8.19740129 . 116.2712459 . 63.03096061 . B 44 PHE H B 44 PHE N B 43 SER CA 34 38 1159516628 . 48626704 . 8.61514842 . 120.816414 . 58.73643668 . B 45 TRP H B 45 TRP N B 44 PHE CA 5 5 1104474204 . 46159312 . 8.817267873 . 119.1589898 . 63.04270936 . B 46 LEU H B 46 LEU N B 45 TRP CA 181 205 759199180 . 30784124 . 8.649919106 . 122.3972333 . 58.1919347 . B 47 LEU H B 47 LEU N B 46 LEU CA 50 57 1130536228 . 47171708 . 8.437087959 . 121.099888 . 57.35875914 . B 48 ALA H B 48 ALA N B 47 LEU CA 158 176 1257410000 . 52597776 . 7.23138757 . 114.5523798 . 55.02941019 . B 49 GLN H B 49 GLN N B 48 ALA CA 208 240 454802888 . 18860100 . 7.433740932 . 109.9127517 . 55.8622288 . B 50 THR H B 50 THR N B 49 GLN CA 115 130 846182126 . 34789516 . 6.946548486 . 118.0226453 . 65.14719396 . B 51 LEU H B 51 LEU N B 50 THR CA 149 167 1280400864 . 53786904 . 6.994709127 . 119.7088045 . 55.59021257 . B 52 ALA H B 52 ALA N B 51 LEU CA 11 13 728810546 . 30869962 . 7.468113333 . 112.9154945 . 52.98114854 . B 53 TYR H B 53 TYR N B 52 ALA CA 165 183 1457697740 . 61145240 . 7.712786111 . 119.2505643 . 57.82923515 . B 54 ILE H B 54 ILE N B 53 TYR CA 173 194 974388832 . 41097728 . 9.00883671 . 123.5691109 . 62.93719312 . B 56 THR H B 56 THR N B 55 PRO CA 197 228 371093767 . 15264933 . 10.0729697 . 106.8912156 . 66.47266959 . B 57 GLY H B 57 GLY N B 56 THR CA 142 159 1215682624 . 51358516 . 6.502468382 . 117.9648625 . 47.19997189 . B 58 ILE H B 58 ILE N B 57 GLY CA 195 224 860427056 . 35484216 . 8.056553666 . 121.8696263 . 64.48036886 . B 59 ALA H B 59 ALA N B 58 ILE CA 82 92 1245542828 . 50427080 . 8.711958543 . 117.2568095 . 55.45634189 . B 60 TYR H B 60 TYR N B 59 ALA CA 169 188 1446836184 . 60506964 . 8.06832589 . 118.0581209 . 61.66197075 . B 61 ALA H B 61 ALA N B 60 TYR CA 32 35 958115382 . 38114808 . 8.536663147 . 117.0588839 . 55.22230438 . B 62 ILE H B 62 ILE N B 61 ALA CA 172 193 1134909792 . 46486764 . 8.76387411 . 121.8485606 . 66.05398505 . B 63 TRP H B 63 TRP N B 62 ILE CA 107 121 504298776 . 20522702 . 8.350090083 . 116.8138535 . 59.90166431 . B 64 VAL H B 64 VAL N B 63 TRP CA 144 161 740693962 . 30911664 . 8.539134686 . 108.2207261 . 63.95065072 . B 65 GLY H B 65 GLY N B 64 VAL CA 92 105 1143154806 . 48289180 . 9.043079972 . 120.4999588 . 47.01618948 . B 66 VAL H B 66 VAL N B 65 GLY CA 201 233 472576029 . 19720942 . 7.157440691 . 105.1914183 . 66.19543926 . B 67 GLY H B 67 GLY N B 66 VAL CA 74 83 1032296856 . 43105128 . 7.368055036 . 120.3040212 . 47.3746151 . B 68 ILE H B 68 ILE N B 67 GLY CA 163 181 1572343920 . 66327900 . 7.566809125 . 122.7898576 . 62.94929247 . B 69 VAL H B 69 VAL N B 68 ILE CA 31 34 759699440 . 32143580 . 8.11992109 . 117.1153533 . 66.92026471 . B 70 LEU H B 70 LEU N B 69 VAL CA 134 150 1727826212 . 69838584 . 8.414314772 . 119.1564579 . 57.8417847 . B 71 ILE H B 71 ILE N B 70 LEU CA 61 68 1052882966 . 43740904 . 7.960387745 . 119.2559045 . 64.4696604 . B 72 SER H B 72 SER N B 71 ILE CA 3 3 558665636 . 23376312 . 8.129412339 . 120.9142074 . 62.89788393 . B 73 LEU H B 73 LEU N B 72 SER CA 102 115 1645919752 . 67693488 . 8.592475433 . 119.9846447 . 57.81035897 . B 74 LEU H B 74 LEU N B 73 LEU CA 153 171 1684988236 . 69506912 . 8.463684097 . 117.0517837 . 57.98862533 . B 75 SER H B 75 SER N B 74 LEU CA 97 110 460716308 . 18069072 . 7.805126045 . 124.2484134 . 62.11231169 . B 76 TRP H B 76 TRP N B 75 SER CA 33 36 1404947268 . 57747960 . 8.685609575 . 105.3681118 . 58.90215805 . B 77 GLY H B 77 GLY N B 76 TRP CA 49 56 1199107252 . 50200112 . 8.173673307 . 113.3733133 . 46.67845414 . B 78 PHE H B 78 PHE N B 77 GLY CA 73 82 1201096488 . 50030472 . 7.168280644 . 114.0880679 . 58.21961918 . B 79 PHE H A 79 PHE N B 78 PHE CA 192 221 2332834408 . 96638088 . 7.897225243 . 109.0154591 . 56.63931109 . B 80 GLY H B 80 GLY N B 79 PHE CA 75 84 5067841552 . 211049296 . 7.736976676 . 120.5064056 . 46.38549445 . B 81 GLN H B 81 GLN N B 80 GLY CA 65 72 7633799408 . 318915360 . 8.235492612 . 124.0698288 . 54.94244202 . B 82 ARG H B 82 ARG N B 81 GLN CA 159 177 7271398432 . 302800192 . 8.085163383 . 124.3410044 . 55.73083544 . B 83 LEU H B 83 LEU N B 82 ARG CA 62 69 4856884592 . 201222848 . 7.425555777 . 120.511032 . 53.81045022 . B 84 ASP H B 84 ASP N B 83 LEU CA 29 32 4313902912 . 176836608 . 8.721567171 . 118.8146286 . 50.95647743 . B 85 LEU H B 85 LEU N B 84 ASP CA 37 42 2197125480 . 88522040 . 7.501156841 . 117.7533038 . 66.22553714 . B 87 ALA H B 87 ALA N B 86 PRO CA 128 143 1630725860 . 67429136 . 7.931644898 . 117.9876326 . 55.36526922 . B 88 ILE H B 88 ILE N B 87 ALA CA 171 190 1053558332 . 44479816 . 8.651923316 . 119.564222 . 64.62776511 . B 89 ILE H B 89 ILE N B 88 ILE CA 22 25 894590834 . 38426308 . 8.854382471 . 107.5883446 . 64.3353671 . B 90 GLY H B 90 GLY N B 89 ILE CA 122 137 1438792024 . 60778896 . 8.506638728 . 119.7377351 . 47.612853 . B 91 MET H B 91 MET N B 90 GLY CA 83 93 1177104424 . 48533904 . 8.381244463 . 119.591716 . 59.89416109 . B 92 MET H B 92 MET N B 91 MET CA 141 158 1024723868 . 42278244 . 8.261897376 . 119.5601706 . 59.51280323 . B 93 LEU H B 93 LEU N B 92 MET CA 57 64 1133714280 . 46690392 . 7.800894985 . 118.0251769 . 58.23237244 . B 94 ILE H B 94 ILE N B 93 LEU CA 10 12 454525497 . 17950718 . 8.128588455 . 116.5315368 . 65.2977317 . B 95 CYS H B 95 CYS N B 94 ILE CA 100 113 979298960 . 40682076 . 8.589430771 . 120.194765 . 64.25920443 . B 96 ALA H B 96 ALA N B 95 CYS CA 96 109 1083252984 . 44859116 . 8.448617339 . 105.6515222 . 54.86604912 . B 97 GLY H B 97 GLY N B 96 ALA CA 16 18 1004147360 . 41520736 . 8.191316791 . 120.3208096 . 48.60287091 . B 98 VAL H B 98 VAL N B 97 GLY CA 183 207 1196360564 . 49558848 . 8.018694724 . 119.5868617 . 66.76558849 . B 99 LEU H B 99 LEU N B 98 VAL CA 133 149 2004471912 . 81206944 . 8.397797982 . 119.1564579 . 58.15903321 . B 100 ILE H B 100 ILE N B 99 LEU CA 113 128 971159044 . 40140384 . 7.780755949 . 118.6594316 . 65.68136752 . B 101 ILE H B 101 ILE N B 100 ILE CA 106 120 995553930 . 41370064 . 8.111572534 . 115.0557523 . 65.75349851 . B 102 ASN H B 102 ASN N B 101 ILE CA 54 61 1145901132 . 47875816 . 8.461665019 . 114.6299324 . 56.57888867 . B 103 LEU H B 103 LEU N B 102 ASN CA 86 96 811711768 . 34608212 . 7.808999968 . 114.2698735 . 56.09800806 . B 104 LEU H B 104 LEU N B 103 LEU CA 174 195 1784312636 . 74406144 . 7.459179482 . 111.6998138 . 54.61044098 . B 105 SER H B 105 SER N B 104 LEU CA 103 116 1245471564 . 51840548 . 10.10881483 . 129.5215632 . 58.13462387 . B 106 ARG H B 106 ARG N B 105 SER CA 6 6 1335513824 . 53614132 . 8.530277835 . 117.5867859 . 54.90720999 . B 107 SER H B 107 SER N B 106 ARG CA 125 140 8391776512 . 347188992 . 7.526499279 . 114.168368 . 59.8093801 . B 108 THR H B 108 THR N B 107 SER CA 124 139 5.302572979e+10 . 2236219392 . 7.758343091 . 123.519115 . 63.10188155 . B 110 HIS H B 110 HIS N B 109 PRO CA ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51026 3 2 . . C 13 C . . . ppm . . . . . . 51026 3 3 . . N 15 N . . . ppm . . . . . . 51026 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51026 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCACO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 750.2940063 6.701551971 12.01101751 circular true true 2 ppm 15N 76.03500366 35.07157051 135.913776 circular true false 3 ppm 13C 188.6929932 13.24903463 183.6318573 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 208 234 5434729168 . 225731008 . 8.184618039 . 121.0970426 . 174.941248 . A 1 MET H% A 1 MET N A 1 MET C 147 165 9045448864 . 380164192 . 8.31603153 . 122.6733304 . 174.9315337 . A 2 ASN H A 2 ASN N A 2 ASN C 188 210 952677186 . 39100408 . 8.449609696 . 116.6202947 . 178.1621501 . A 4 TYR H A 4 TYR N A 4 TYR C 99 113 856064414 . 35095584 . 7.845806617 . 120.6472153 . 177.8920944 . A 5 ILE H A 5 ILE N A 5 ILE C 50 56 1099555552 . 45411672 . 6.79165176 . 118.4906426 . 177.9817508 . A 6 TYR H A 6 TYR N A 6 TYR C 105 119 979224696 . 40578624 . 7.728785823 . 118.7634422 . 177.9237805 . A 7 LEU H A 7 LEU N A 7 LEU C 93 107 445921853 . 18638104 . 8.428787388 . 105.3043364 . 177.8690461 . A 8 GLY H A 8 GLY N A 7 LEU C 94 108 462807079 . 18286892 . 8.423030502 . 105.2897799 . 174.870043 . A 8 GLY H A 8 GLY N A 8 GLY C 115 131 802223668 . 33471156 . 8.371839921 . 107.5808463 . 173.5454142 . A 9 GLY H A 9 GLY N A 9 GLY C 189 211 481779534 . 19434800 . 8.41408847 . 125.7909627 . 173.5178636 . A 10 ALA H A 10 ALA N A 9 GLY C 190 212 832251424 . 33798448 . 8.414974939 . 125.6792356 . 180.3137472 . A 10 ALA H A 10 ALA N A 10 ALA C 106 120 570278328 . 23689064 . 7.691734656 . 120.5980879 . 177.0498722 . A 11 ILE H A 11 ILE N A 11 ILE C 253 286 1494012248 . 58145968 . 7.811580731 . 118.4703331 . 177.7167452 . A 12 LEU H A 12 LEU N A 12 LEU C 145 163 1904883428 . 79089632 . 8.434851552 . 118.3489101 . 179.1137669 . A 13 ALA H A 13 ALA N A 13 ALA C 84 96 678410714 . 28993800 . 7.66799733 . 119.2830947 . 179.1633488 . A 14 GLU H A 14 GLU N A 13 ALA C 85 97 738807962 . 30625150 . 7.658643943 . 119.2757379 . 177.300597 . A 14 GLU H A 14 GLU N A 14 GLU C 110 126 730260290 . 30337456 . 8.708716882 . 117.1905284 . 180.4009566 . A 15 VAL H A 15 VAL N A 15 VAL C 135 152 1203770172 . 50308792 . 8.458801423 . 122.7889208 . 177.8081153 . A 16 ILE H A 16 ILE N A 16 ILE C 18 20 1324751932 . 55234924 . 8.521345784 . 111.2065897 . 175.3854103 . A 17 GLY H A 17 GLY N A 17 GLY C 129 145 896924004 . 38321676 . 8.575480886 . 122.853722 . 178.457292 . A 20 LEU H A 20 LEU N A 20 LEU C 154 172 1357725360 . 56785224 . 8.352812016 . 121.2488686 . 181.4609677 . A 21 MET H A 21 MET N A 21 MET C 230 260 641475390 . 27253374 . 7.613592704 . 125.3200056 . 181.4559695 . A 22 LYS H A 22 LYS N A 21 MET C 229 258 1807556448 . 76011200 . 7.622837539 . 125.3356968 . 178.5535109 . A 22 LYS H A 22 LYS N A 22 LYS C 83 95 1495873280 . 61813072 . 7.33914096 . 119.016371 . 176.2637139 . A 23 PHE H A 23 PHE N A 23 PHE C 82 94 656047746 . 27048152 . 7.342665197 . 118.9345937 . 178.5724868 . A 23 PHE H A 23 PHE N A 22 LYS C 140 158 2745806504 . 115602448 . 7.659657795 . 121.285142 . 177.8317073 . A 25 GLU H A 25 GLU N A 25 GLU C 2 2 1283001832 . 52999740 . 9.212039741 . 111.9465542 . 174.8544329 . A 26 GLY H A 26 GLY N A 26 GLY C 125 141 1433322104 . 60067772 . 7.977284859 . 112.97708 . 173.6398025 . A 27 PHE H A 27 PHE N A 27 PHE C 72 84 317622914 . 12556050 . 7.544878901 . 102.4947876 . 174.9744348 . A 28 THR H A 28 THR N A 28 THR C 162 182 1654995172 . 67337232 . 7.481016168 . 119.9391468 . 178.1480472 . A 29 ARG H A 29 ARG N A 29 ARG C 59 67 1165474312 . 48673148 . 9.048911654 . 130.9397686 . 178.0820216 . A 30 LEU H A 30 LEU N A 29 ARG C 60 68 844851230 . 35297908 . 9.053407057 . 130.9677523 . 177.3309527 . A 30 LEU H A 30 LEU N A 30 LEU C 1 1 4607121456 . 192811600 . 9.268803591 . 118.9213996 . 177.0782174 . A 31 TRP H A 31 TRP N A 31 TRP C 179 201 1730226532 . 70399888 . 8.392869254 . 121.9597152 . 178.2188192 . A 34 VAL H A 34 VAL N A 34 VAL C 180 202 33316009 . 1019687.375 . 8.398517677 . 121.9944604 . 175.3846132 . A 34 VAL H A 34 VAL N A 33 SER C 97 111 439105696 . 17811786 . 8.715678167 . 106.0824722 . 178.1775054 . A 35 GLY H A 35 GLY N A 34 VAL C 98 112 1325313524 . 55054444 . 8.71378944 . 106.1540271 . 174.7011759 . A 35 GLY H A 35 GLY N A 35 GLY C 218 245 817384862 . 34472848 . 8.521205278 . 121.8143789 . 174.7583179 . A 36 THR H A 36 THR N A 35 GLY C 196 220 1105043984 . 46815948 . 7.622415804 . 119.3273451 . 178.1682274 . A 37 ILE H A 37 ILE N A 37 ILE C 148 166 1254694116 . 51713324 . 8.553243104 . 119.7850018 . 177.8762062 . A 38 ILE H A 38 ILE N A 38 ILE C 26 30 848509930 . 36187476 . 8.304881459 . 117.596484 . 177.5443185 . A 39 CYS H A 39 CYS N A 39 CYS C 104 118 614844322 . 25444102 . 8.983044076 . 119.4472555 . 178.7228725 . A 40 TYR H A 40 TYR N A 40 TYR C 35 41 872112604 . 35481552 . 8.746293922 . 119.0393133 . 176.5083331 . A 41 CYS H A 41 CYS N A 41 CYS C 64 73 2291078096 . 93698352 . 8.429510131 . 120.7058183 . 178.4290538 . A 42 ALA H A 42 ALA N A 42 ALA C 63 72 605276254 . 24636438 . 8.4327955 . 120.6320713 . 176.5305761 . A 42 ALA H A 42 ALA N A 41 CYS C 211 237 521891710 . 21612752 . 8.64246892 . 115.7577501 . 177.6676596 . A 44 PHE H A 44 PHE N A 44 PHE C 66 76 2087996384 . 84659080 . 8.433143757 . 121.0231253 . 178.3626693 . A 45 TRP H A 45 TRP N A 45 TRP C 92 106 862702702 . 35218176 . 8.692326189 . 119.682553 . 179.522763 . A 46 LEU H A 46 LEU N A 46 LEU C 187 209 1018858028 . 42211272 . 8.830790094 . 121.0525227 . 179.4719121 . A 47 LEU H A 47 LEU N A 47 LEU C 107 123 554748002 . 23158988 . 8.387859683 . 122.8007942 . 179.4830342 . A 48 ALA H A 48 ALA N A 47 LEU C 108 124 1139654728 . 47790640 . 8.385605383 . 122.8500806 . 178.866609 . A 48 ALA H A 48 ALA N A 48 ALA C 52 59 1166967692 . 48430608 . 7.157531921 . 113.3938539 . 177.3658291 . A 49 GLN H A 49 GLN N A 49 GLN C 51 58 523689779 . 22575052 . 7.150544664 . 113.3699035 . 178.8530236 . A 49 GLN H A 49 GLN N A 48 ALA C 238 269 881945396 . 36375324 . 7.213626923 . 121.5850973 . 177.5319948 . A 51 LEU H A 51 LEU N A 51 LEU C 257 291 2374486312 . 95811128 . 7.774873488 . 118.4944907 . 177.4873184 . A 52 ALA H A 52 ALA N A 52 ALA C 31 35 817695874 . 34822348 . 7.636055279 . 113.8109161 . 175.2147721 . A 53 TYR H A 53 TYR N A 53 TYR C 182 204 459954490 . 18927890 . 7.864670902 . 119.8022824 . 175.3093573 . A 54 ILE H A 54 ILE N A 53 TYR C 183 205 1509794152 . 63139272 . 7.845643593 . 119.710644 . 173.235971 . A 54 ILE H A 54 ILE N A 54 ILE C 114 130 1791167084 . 74121064 . 8.477670458 . 119.3635051 . 177.8463253 . A 56 THR H A 56 THR N A 55 PRO C 119 135 1171428852 . 48659988 . 9.022136573 . 108.6905745 . 176.2562289 . A 57 GLY H A 57 GLY N A 57 GLY C 117 133 671725090 . 28207714 . 6.892827873 . 120.6336934 . 176.3381577 . A 58 ILE H A 58 ILE N A 57 GLY C 116 132 1354581724 . 57228088 . 6.906305928 . 120.5887563 . 177.2403837 . A 58 ILE H A 58 ILE N A 58 ILE C 241 272 610433250 . 26290420 . 7.971032531 . 121.1219399 . 177.2658004 . A 59 ALA H A 59 ALA N A 58 ILE C 242 273 1360715232 . 57089488 . 7.970612272 . 121.1730191 . 179.2415827 . A 59 ALA H A 59 ALA N A 59 ALA C 212 239 836334570 . 34573824 . 8.720091279 . 116.6208916 . 179.2764248 . A 60 TYR H A 60 TYR N A 59 ALA C 213 240 1443632020 . 59066040 . 8.717472542 . 116.7645976 . 177.1475546 . A 60 TYR H A 60 TYR N A 60 TYR C 181 203 1403330092 . 58955240 . 7.867710614 . 119.5367818 . 179.209503 . A 61 ALA H A 61 ALA N A 61 ALA C 10 12 1263626772 . 51634476 . 8.135204411 . 115.8956146 . 176.4845953 . A 62 ILE H A 62 ILE N A 62 ILE C 11 13 526882441 . 22577150 . 8.133100669 . 115.958203 . 179.1138043 . A 62 ILE H A 62 ILE N A 61 ALA C 201 226 720634084 . 30025544 . 8.285737716 . 121.3622987 . 179.9249725 . A 63 TRP H A 63 TRP N A 63 TRP C 15 17 319455745 . 13033554 . 7.960179672 . 104.5437146 . 173.5243922 . A 65 GLY H A 65 GLY N A 65 GLY C 7 8 569121158 . 23063126 . 8.58301725 . 117.3566926 . 173.5330005 . A 66 VAL H A 66 VAL N A 65 GLY C 6 7 1165063004 . 48466824 . 8.576310812 . 117.3984116 . 178.1354107 . A 66 VAL H A 66 VAL N A 66 VAL C 252 285 477899979 . 19694790 . 9.01342887 . 110.2426684 . 175.6829256 . A 67 GLY H A 67 GLY N A 67 GLY C 165 185 1161106128 . 46970768 . 8.581165833 . 119.5943308 . 178.7758922 . A 68 ILE H A 68 ILE N A 68 ILE C 132 149 1168146204 . 48853252 . 7.194311647 . 120.106806 . 177.451916 . A 69 VAL H A 69 VAL N A 69 VAL C 30 34 729492882 . 30354816 . 8.821792352 . 118.3422054 . 179.286958 . A 70 LEU H A 70 LEU N A 70 LEU C 113 129 1047094902 . 43920496 . 9.403586958 . 119.5099403 . 179.6482414 . A 71 ILE H A 71 ILE N A 71 ILE C 197 221 917598880 . 38489040 . 8.389752022 . 124.3443379 . 178.8068055 . A 73 LEU H A 73 LEU N A 73 LEU C 33 39 1740190408 . 70105056 . 8.741439417 . 118.9330629 . 178.9548256 . A 74 LEU H A 74 LEU N A 74 LEU C 217 244 1172848040 . 48934832 . 7.975112224 . 126.3736739 . 177.9102192 . A 76 TRP H A 76 TRP N A 76 TRP C 77 89 1424487988 . 59181304 . 8.278329043 . 104.6190728 . 173.6941018 . A 77 GLY H A 77 GLY N A 77 GLY C 76 88 656988946 . 27767214 . 8.277338518 . 104.619506 . 177.9597106 . A 77 GLY H A 77 GLY N A 76 TRP C 248 279 639331204 . 26886356 . 8.357302236 . 113.6822524 . 173.6620364 . A 78 PHE H A 78 PHE N A 77 GLY C 247 278 1655389584 . 69662008 . 8.356111383 . 113.6877082 . 176.7964227 . A 78 PHE H A 78 PHE N A 78 PHE C 55 62 1026816588 . 42312088 . 6.852942548 . 112.2208182 . 176.394137 . A 79 PHE H A 79 PHE N A 79 PHE C 13 15 1122856084 . 47007204 . 7.50128992 . 109.7110621 . 174.8733719 . A 80 GLY H A 80 GLY N A 80 GLY C 14 16 378366760 . 15790121 . 7.509328386 . 109.6603207 . 176.4494024 . A 80 GLY H A 80 GLY N A 79 PHE C 142 160 2688288848 . 112417000 . 7.370521399 . 118.8449005 . 174.3141564 . A 81 GLN H A 81 GLN N A 81 GLN C 141 159 838034098 . 35385676 . 7.370503301 . 118.7871419 . 174.8457341 . A 81 GLN H A 81 GLN N A 80 GLY C 176 198 5217010576 . 220075264 . 8.037822531 . 126.8570525 . 175.2975204 . A 82 ARG H A 82 ARG N A 82 ARG C 175 197 2911673496 . 121849144 . 8.037778528 . 126.8197691 . 174.3253699 . A 82 ARG H A 82 ARG N A 81 GLN C 199 224 1604924396 . 67088848 . 7.008755664 . 122.5290418 . 174.7886877 . A 83 LEU H A 83 LEU N A 83 LEU C 198 222 1558981672 . 65449816 . 7.007173102 . 122.5847181 . 175.3377357 . A 83 LEU H A 83 LEU N A 82 ARG C 204 229 1887073700 . 78536128 . 7.480862867 . 119.1632521 . 175.3047066 . A 84 ASP H A 84 ASP N A 84 ASP C 32 36 5300123376 . 221909024 . 8.731166903 . 118.4339462 . 175.9077684 . A 85 LEU H A 85 LEU N A 85 LEU C 46 52 1862722100 . 77361808 . 7.532318034 . 117.3463817 . 178.8600916 . A 87 ALA H A 87 ALA N A 87 ALA C 224 251 1390472224 . 57861564 . 8.1472642 . 117.9597972 . 178.4115609 . A 88 ILE H A 88 ILE N A 88 ILE C 223 250 668739654 . 27861324 . 8.145316637 . 117.8212755 . 178.881768 . A 88 ILE H A 88 ILE N A 87 ALA C 90 104 1727872188 . 70361304 . 8.812423256 . 119.3846132 . 178.3872152 . A 89 ILE H A 89 ILE N A 89 ILE C 100 114 1232200544 . 51109920 . 8.750753827 . 107.7889922 . 175.9169407 . A 90 GLY H A 90 GLY N A 90 GLY C 44 50 427519810 . 17859448 . 8.76096338 . 120.8921329 . 175.9148536 . A 91 MET H A 91 MET N A 90 GLY C 43 49 1047000694 . 44731412 . 8.761710462 . 120.874855 . 178.2597816 . A 91 MET H A 91 MET N A 91 MET C 255 289 1835548624 . 75615248 . 8.57582668 . 120.0094572 . 178.1544855 . A 92 MET H A 92 MET N A 92 MET C 78 90 999437210 . 41479168 . 8.252602139 . 120.551682 . 178.6917162 . A 93 LEU H A 93 LEU N A 93 LEU C 79 91 613198760 . 25396138 . 8.260297487 . 120.6160178 . 178.1628534 . A 93 LEU H A 93 LEU N A 92 MET C 233 264 1092804936 . 44912060 . 7.960751657 . 118.5511313 . 177.1540236 . A 94 ILE H A 94 ILE N A 94 ILE C 29 33 1235916048 . 52429504 . 8.397146735 . 117.811826 . 176.2335111 . A 95 CYS H A 95 CYS N A 95 CYS C 89 102 1060053064 . 43086872 . 8.779812228 . 119.4374792 . 178.8786283 . A 96 ALA H A 96 ALA N A 96 ALA C 88 101 552052224 . 22536052 . 8.779000182 . 119.3399863 . 176.2349911 . A 96 ALA H A 96 ALA N A 95 CYS C 258 292 418654460 . 16860206 . 8.49759874 . 104.8172527 . 178.9200948 . A 97 GLY H A 97 GLY N A 96 ALA C 259 293 953268294 . 40135328 . 8.504328815 . 104.8725713 . 175.1118368 . A 97 GLY H A 97 GLY N A 97 GLY C 21 24 529806677 . 22616568 . 8.301801897 . 120.8556829 . 175.1827974 . A 98 VAL H A 98 VAL N A 97 GLY C 23 27 1106341204 . 43980636 . 8.303318922 . 120.9468054 . 178.0963639 . A 98 VAL H A 98 VAL N A 98 VAL C 168 188 819226994 . 34331792 . 8.289766744 . 118.8021281 . 177.7932806 . A 100 ILE H A 100 ILE N A 100 ILE C 232 263 1304953964 . 53816104 . 7.9358458 . 118.5718643 . 177.1148419 . A 101 ILE H A 101 ILE N A 101 ILE C 159 178 374866679 . 15810584 . 7.937311192 . 118.6404868 . 177.8657396 . A 101 ILE H A 101 ILE N A 100 ILE C 67 78 805972586 . 33367660 . 7.929955239 . 114.8761375 . 176.1578799 . A 102 ASN H A 102 ASN N A 102 ASN C 231 262 583166476 . 24169944 . 8.240352613 . 114.3821563 . 177.3488256 . A 103 LEU H A 103 LEU N A 103 LEU C 73 85 576788710 . 24218060 . 7.1285172 . 112.2595805 . 176.6503362 . A 105 SER H A 105 SER N A 104 LEU C 53 60 3782753592 . 160224064 . 9.428192165 . 127.4607522 . 176.6608583 . A 106 ARG H A 106 ARG N A 106 ARG C 118 134 9952071936 . 429468064 . 7.646308314 . 116.7303518 . 172.7148802 . A 108 THR H A 108 THR N A 108 THR C 136 153 1.302333053e+10 . 556348928 . 7.920309138 . 123.8142182 . 175.8180371 . A 110 HIS H A 110 HIS N A 109 PRO C 137 154 3.164290298e+10 . 1363833600 . 7.920691388 . 123.8274076 . 178.6122142 . A 110 HIS H A 110 HIS N A 110 HIS C 262 297 4044019920 . 165809632 . 8.206460518 . 121.0970426 . 174.9757361 . B 1 MET H% B 1 MET N B 1 MET C 146 164 9156016480 . 384977728 . 8.385684993 . 122.7872535 . 174.981887 . B 2 ASN H B 2 ASN N B 2 ASN C 49 55 1205665444 . 49496004 . 8.403092225 . 116.4550677 . 178.4399039 . B 4 TYR H B 4 TYR N B 4 TYR C 20 23 1020155798 . 40920904 . 7.868419523 . 121.297751 . 178.1643048 . B 5 ILE H B 5 ILE N B 5 ILE C 126 142 1473217452 . 61064448 . 6.853805652 . 118.7703697 . 178.1250491 . B 6 TYR H B 6 TYR N B 6 TYR C 122 138 811045990 . 34445096 . 7.860631794 . 120.4486899 . 178.8004512 . B 7 LEU H B 7 LEU N B 7 LEU C 226 255 728648428 . 30104834 . 8.79673813 . 106.7142647 . 175.6177029 . B 8 GLY H B 8 GLY N B 8 GLY C 155 173 600571312 . 25864382 . 8.751474417 . 109.7149438 . 175.640936 . B 9 GLY H B 9 GLY N B 8 GLY C 156 175 908398094 . 37567720 . 8.752627845 . 109.727933 . 174.3537238 . B 9 GLY H B 9 GLY N B 9 GLY C 234 265 453034926 . 18229184 . 8.889643733 . 125.7688808 . 174.3741964 . B 10 ALA H B 10 ALA N B 9 GLY C 235 266 1342019488 . 56040776 . 8.905885603 . 125.6887459 . 182.2834391 . B 10 ALA H B 10 ALA N B 10 ALA C 133 150 905326694 . 37692152 . 8.526952824 . 122.6178756 . 177.2420902 . B 11 ILE H B 11 ILE N B 11 ILE C 143 161 834471882 . 34653692 . 8.537173679 . 121.1246144 . 178.5135455 . B 12 LEU H B 12 LEU N B 12 LEU C 144 162 437947798 . 18286738 . 8.53650978 . 121.1740863 . 177.2415448 . B 12 LEU H B 12 LEU N B 11 ILE C 91 105 1372686500 . 55502032 . 8.736188684 . 119.2952193 . 179.4362472 . B 13 ALA H B 13 ALA N B 13 ALA C 17 19 499759549 . 20775714 . 7.887633802 . 118.1268672 . 179.3866052 . B 14 GLU H B 14 GLU N B 13 ALA C 16 18 1078202936 . 44856916 . 7.868596968 . 118.2545917 . 177.6993623 . B 14 GLU H B 14 GLU N B 14 GLU C 161 181 910279880 . 37197168 . 8.479440875 . 123.1170413 . 178.8015523 . B 15 VAL H B 15 VAL N B 15 VAL C 170 191 1275149724 . 53302100 . 8.703842054 . 122.1116282 . 177.9658496 . B 16 ILE H B 16 ILE N B 16 ILE C 169 190 423042087 . 17537958 . 8.707142364 . 122.104088 . 178.8321363 . B 16 ILE H B 16 ILE N B 15 VAL C 220 247 638734562 . 26586962 . 8.497176269 . 107.0928503 . 178.042155 . B 17 GLY H B 17 GLY N B 16 ILE C 219 246 1300003048 . 53811268 . 8.499731798 . 107.0700075 . 173.9846506 . B 17 GLY H B 17 GLY N B 17 GLY C 70 81 998166602 . 42226616 . 8.159438902 . 120.511167 . 178.7497854 . B 20 LEU H B 20 LEU N B 20 LEU C 3 3 1806838844 . 75598808 . 8.016111079 . 120.8461353 . 180.993834 . B 21 MET H B 21 MET N B 21 MET C 185 207 707543238 . 29333806 . 7.613491387 . 122.4857385 . 181.0018558 . B 22 LYS H B 22 LYS N B 21 MET C 184 206 2380939208 . 99443104 . 7.612702082 . 122.6297511 . 178.1491685 . B 22 LYS H B 22 LYS N B 22 LYS C 45 51 714552538 . 28938826 . 7.50548681 . 117.6301574 . 178.1828777 . B 23 PHE H B 23 PHE N B 22 LYS C 48 54 2680015896 . 112648648 . 7.505177791 . 117.687124 . 175.5452803 . B 23 PHE H B 23 PHE N B 23 PHE C 138 155 561989807 . 24001154 . 7.846937953 . 115.1147208 . 175.5706561 . B 24 SER H B 24 SER N B 23 PHE C 243 274 2912948808 . 120065712 . 8.082072424 . 122.1053985 . 178.0079372 . B 25 GLU H B 25 GLU N B 25 GLU C 56 63 895868352 . 37492784 . 9.142859761 . 113.0447301 . 177.9768835 . B 26 GLY H B 26 GLY N B 25 GLU C 57 64 1890865308 . 78504896 . 9.145998656 . 113.065904 . 174.5722893 . B 26 GLY H B 26 GLY N B 26 GLY C 192 215 1813004348 . 75182232 . 7.875993088 . 113.7599255 . 174.04671 . B 27 PHE H B 27 PHE N B 27 PHE C 191 214 580718260 . 23345794 . 7.856454843 . 113.8180605 . 174.5387629 . B 27 PHE H B 27 PHE N B 26 GLY C 71 83 365241404 . 15232785 . 7.519640538 . 102.4947876 . 175.3712634 . B 28 THR H B 28 THR N B 28 THR C 96 110 1576187484 . 65988284 . 7.542643249 . 120.7931411 . 177.8382433 . B 29 ARG H B 29 ARG N B 29 ARG C 254 287 699253996 . 28002304 . 8.944912029 . 130.9730239 . 177.5124066 . B 30 LEU H B 30 LEU N B 30 LEU C 236 267 974583460 . 39735608 . 8.94172338 . 130.9739711 . 177.7982642 . B 30 LEU H B 30 LEU N B 29 ARG C 109 125 4048500512 . 169805008 . 9.208093297 . 118.8000128 . 177.129974 . B 31 TRP H B 31 TRP N B 31 TRP C 54 61 581939426 . 24810706 . 7.234322973 . 115.444264 . 179.0177292 . B 33 SER H B 33 SER N B 32 PRO C 178 200 1705731180 . 70539976 . 8.411991878 . 121.9836513 . 178.4354018 . B 34 VAL H B 34 VAL N B 34 VAL C 160 179 1332407632 . 54798400 . 8.784151862 . 105.6631253 . 174.7833488 . B 35 GLY H B 35 GLY N B 35 GLY C 203 228 1654995172 . 67337232 . 7.467086186 . 119.4433301 . 178.1972302 . B 37 ILE H B 37 ILE N B 37 ILE C 164 184 2620382136 . 106972848 . 8.387269085 . 119.2765667 . 177.7661651 . B 38 ILE H B 38 ILE N B 38 ILE C 237 268 1535816180 . 63942908 . 8.255110449 . 116.6503958 . 177.6923491 . B 39 CYS H B 39 CYS N B 39 CYS C 36 42 853304944 . 35627152 . 8.717913978 . 119.2665621 . 177.3321588 . B 40 TYR H B 40 TYR N B 40 TYR C 5 6 1264752244 . 51187908 . 8.541374924 . 117.4742443 . 176.6326835 . B 41 CYS H B 41 CYS N B 41 CYS C 25 29 695902932 . 29517560 . 8.411874411 . 120.2356805 . 176.6363058 . B 42 ALA H B 42 ALA N B 41 CYS C 24 28 1719008460 . 69869904 . 8.409426117 . 120.2633372 . 178.4720783 . B 42 ALA H B 42 ALA N B 42 ALA C 222 249 497399993 . 21049554 . 8.385731954 . 112.5225765 . 178.4887534 . B 43 SER H B 43 SER N B 42 ALA C 205 230 1113763852 . 46129224 . 8.202106446 . 116.2437225 . 177.6401008 . B 44 PHE H B 44 PHE N B 44 PHE C 42 48 942060500 . 39065244 . 8.629888006 . 120.8300828 . 178.5749688 . B 45 TRP H B 45 TRP N B 45 TRP C 4 4 970240920 . 40380260 . 8.824881333 . 119.1585836 . 179.4406568 . B 46 LEU H B 46 LEU N B 46 LEU C 225 252 1123199696 . 46112928 . 8.653717508 . 122.28598 . 179.4821286 . B 47 LEU H B 47 LEU N B 47 LEU C 65 75 1361662648 . 56104964 . 8.446536811 . 121.0676656 . 180.4348694 . B 48 ALA H B 48 ALA N B 48 ALA C 193 217 1176821260 . 48094820 . 7.237893419 . 114.4968858 . 177.5580893 . B 49 GLN H B 49 GLN N B 49 GLN C 139 157 760671414 . 31969712 . 6.950758594 . 117.9895672 . 176.3808106 . B 51 LEU H B 51 LEU N B 51 LEU C 186 208 1784348076 . 75065248 . 7.002568974 . 119.6512154 . 177.4517148 . B 52 ALA H B 52 ALA N B 52 ALA C 12 14 566613272 . 24074914 . 7.474757957 . 112.8804098 . 174.6332878 . B 53 TYR H B 53 TYR N B 53 TYR C 202 227 1336947700 . 55853644 . 7.722105845 . 119.2534318 . 173.1935989 . B 54 ILE H B 54 ILE N B 54 ILE C 216 243 640440552 . 27301836 . 9.018389077 . 123.5338581 . 177.2709631 . B 56 THR H B 56 THR N B 55 PRO C 246 277 714497014 . 30067684 . 10.061961 . 106.8932163 . 175.0682143 . B 57 GLY H B 57 GLY N B 57 GLY C 173 195 901675792 . 37883808 . 6.506327033 . 117.8814876 . 176.8572832 . B 58 ILE H B 58 ILE N B 58 ILE C 174 196 558709402 . 23122114 . 6.511649039 . 117.7809628 . 175.0936995 . B 58 ILE H B 58 ILE N B 57 GLY C 244 275 384422970 . 16342608 . 8.074255097 . 121.8053944 . 176.9536306 . B 59 ALA H B 59 ALA N B 58 ILE C 245 276 1892355148 . 74683360 . 8.068939445 . 121.8726245 . 178.1884312 . B 59 ALA H B 59 ALA N B 59 ALA C 250 282 896273524 . 35129120 . 8.721261626 . 117.2808372 . 177.0994692 . B 60 TYR H B 60 TYR N B 60 TYR C 206 231 401653061 . 16891398 . 8.098818767 . 118.1728055 . 177.0756186 . B 61 ALA H B 61 ALA N B 60 TYR C 207 233 1754696376 . 73563752 . 8.073975584 . 118.0251684 . 179.6759659 . B 61 ALA H B 61 ALA N B 61 ALA C 38 44 500789770 . 20753050 . 8.544109817 . 116.8651954 . 179.7404986 . B 62 ILE H B 62 ILE N B 61 ALA C 39 45 1220631752 . 49804972 . 8.543798156 . 117.1301403 . 177.1443922 . B 62 ILE H B 62 ILE N B 62 ILE C 214 241 404194579 . 16537649 . 8.772689137 . 121.7643104 . 177.1473956 . B 63 TRP H B 63 TRP N B 62 ILE C 215 242 998347668 . 42042288 . 8.77577863 . 121.8311153 . 180.0638 . B 63 TRP H B 63 TRP N B 63 TRP C 251 283 615443944 . 24948586 . 8.358754918 . 116.6975887 . 178.6436738 . B 64 VAL H B 64 VAL N B 64 VAL C 177 199 848374382 . 35544964 . 8.554446973 . 108.2808349 . 174.8914926 . B 65 GLY H B 65 GLY N B 65 GLY C 120 136 584355178 . 24708192 . 9.048532199 . 120.5094818 . 174.8554056 . B 66 VAL H B 66 VAL N B 65 GLY C 121 137 1234748624 . 51139912 . 9.051539173 . 120.507646 . 177.9516315 . B 66 VAL H B 66 VAL N B 66 VAL C 124 140 527651674 . 21802224 . 7.378977246 . 120.3176623 . 174.6272431 . B 68 ILE H B 68 ILE N B 67 GLY C 123 139 941637034 . 39818148 . 7.371782512 . 120.3887161 . 178.4661819 . B 68 ILE H B 68 ILE N B 68 ILE C 200 225 1447574708 . 60107324 . 7.574225708 . 122.7977952 . 176.9929067 . B 69 VAL H B 69 VAL N B 69 VAL C 37 43 621621141 . 27049722 . 8.118546666 . 117.0640008 . 178.8537525 . B 70 LEU H B 70 LEU N B 70 LEU C 112 128 1826565980 . 75796120 . 8.416362924 . 119.0319535 . 178.3568092 . B 71 ILE H B 71 ILE N B 71 ILE C 58 65 1280300876 . 53828208 . 8.13899432 . 120.7875083 . 179.360152 . B 73 LEU H B 73 LEU N B 73 LEU C 260 294 1505804008 . 62635988 . 8.60285553 . 119.9703512 . 179.2942544 . B 74 LEU H B 74 LEU N B 74 LEU C 128 144 1846495084 . 76617688 . 7.826301169 . 124.2298635 . 177.8798811 . B 76 TRP H B 76 TRP N B 76 TRP C 41 47 699832780 . 29809636 . 8.698501192 . 105.1547794 . 177.8440247 . B 77 GLY H B 77 GLY N B 76 TRP C 40 46 1702889936 . 71203744 . 8.701472964 . 105.3145035 . 173.511946 . B 77 GLY H B 77 GLY N B 77 GLY C 62 71 481078332 . 20017588 . 8.183549489 . 113.2389161 . 173.4805019 . B 78 PHE H B 78 PHE N B 77 GLY C 61 70 982164370 . 41328432 . 8.184304219 . 113.4328195 . 176.0361698 . B 78 PHE H B 78 PHE N B 78 PHE C 102 116 667559470 . 27000800 . 7.173612891 . 114.037802 . 176.0694825 . B 79 PHE H A 79 PHE N B 78 PHE C 101 115 1211209124 . 50584456 . 7.172246657 . 114.0940071 . 176.8759043 . B 79 PHE H A 79 PHE N B 79 PHE C 239 270 651915250 . 28099098 . 7.911070105 . 108.8687787 . 176.9040711 . B 80 GLY H B 80 GLY N B 79 PHE C 240 271 2615072528 . 109738040 . 7.910477362 . 108.9556624 . 174.6077491 . B 80 GLY H B 80 GLY N B 80 GLY C 103 117 5444961440 . 227736400 . 7.743642167 . 120.4874741 . 174.9483813 . B 81 GLN H B 81 GLN N B 81 GLN C 87 100 5214961488 . 220390080 . 8.248103838 . 124.061958 . 174.972676 . B 82 ARG H B 82 ARG N B 81 GLN C 86 98 1.029058384e+10 . 436550560 . 8.248057577 . 124.0804098 . 176.5715886 . B 82 ARG H B 82 ARG N B 82 ARG C 195 219 4689520448 . 197928048 . 8.101342395 . 124.3638945 . 176.5773875 . B 83 LEU H B 83 LEU N B 82 ARG C 194 218 5083786096 . 215373312 . 8.101725617 . 124.3539556 . 174.6307128 . B 83 LEU H B 83 LEU N B 83 LEU C 80 92 2858530744 . 119039152 . 7.434551588 . 120.5396236 . 175.1902947 . B 84 ASP H B 84 ASP N B 84 ASP C 81 93 1731230256 . 72220896 . 7.434994012 . 120.4916153 . 174.6547517 . B 84 ASP H B 84 ASP N B 83 LEU C 34 40 4519243536 . 186285440 . 8.729762402 . 118.7860078 . 175.9077684 . B 85 LEU H B 85 LEU N B 85 LEU C 47 53 2352689376 . 99090752 . 7.508229131 . 117.7305756 . 179.306337 . B 87 ALA H B 87 ALA N B 87 ALA C 157 176 1664699300 . 68382504 . 7.942533744 . 117.9878265 . 178.2177403 . B 88 ILE H B 88 ILE N B 88 ILE C 158 177 798162584 . 33959888 . 7.937670744 . 117.9001785 . 179.3320534 . B 88 ILE H B 88 ILE N B 87 ALA C 210 236 1938054260 . 79124216 . 8.658491001 . 119.5755321 . 178.3567889 . B 89 ILE H B 89 ILE N B 89 ILE C 28 32 1204076268 . 50717736 . 8.861240883 . 107.5576866 . 175.6075084 . B 90 GLY H B 90 GLY N B 90 GLY C 27 31 547967536 . 23716928 . 8.862113629 . 107.5156534 . 178.3893504 . B 90 GLY H B 90 GLY N B 89 ILE C 150 168 591335698 . 25906626 . 8.520786981 . 119.7093282 . 175.6529675 . B 91 MET H B 91 MET N B 90 GLY C 149 167 1287415568 . 53599040 . 8.517407247 . 119.8079721 . 178.4620196 . B 91 MET H B 91 MET N B 91 MET C 111 127 2620382136 . 106972848 . 8.388816451 . 119.5888524 . 177.9859669 . B 92 MET H B 92 MET N B 92 MET C 171 192 796159482 . 34240652 . 8.267853709 . 119.5637816 . 178.4944487 . B 93 LEU H B 93 LEU N B 93 LEU C 172 193 484117145 . 20060184 . 8.272975883 . 119.6220173 . 177.9629371 . B 93 LEU H B 93 LEU N B 92 MET C 75 87 1380851726 . 53213152 . 7.812974002 . 118.0581921 . 177.7285893 . B 94 ILE H B 94 ILE N B 94 ILE C 9 11 1174284356 . 48399180 . 8.140304912 . 116.4191823 . 176.1919066 . B 95 CYS H B 95 CYS N B 95 CYS C 130 146 1184430920 . 47977572 . 8.598771181 . 120.3191576 . 178.744726 . B 96 ALA H B 96 ALA N B 96 ALA C 127 143 613684902 . 25504756 . 8.45373111 . 105.8674201 . 178.7609219 . B 97 GLY H B 97 GLY N B 96 ALA C 95 109 1516617912 . 62508212 . 8.449270628 . 105.6641425 . 174.9780231 . B 97 GLY H B 97 GLY N B 97 GLY C 19 22 1112075500 . 46325896 . 8.199887142 . 120.2807167 . 177.5669292 . B 98 VAL H B 98 VAL N B 98 VAL C 228 257 454324372 . 18779800 . 8.027827308 . 119.6923855 . 177.6325835 . B 99 LEU H B 99 LEU N B 98 VAL C 227 256 942644410 . 40332312 . 8.031770605 . 119.6104439 . 178.2410627 . B 99 LEU H B 99 LEU N B 99 LEU C 163 183 1754280440 . 69437536 . 8.407143767 . 119.0922742 . 177.7661651 . B 100 ILE H B 100 ILE N B 100 ILE C 249 280 2851109104 . 115930048 . 7.785921446 . 118.4780885 . 177.5286736 . B 101 ILE H B 101 ILE N B 101 ILE C 134 151 1001751060 . 40841000 . 8.126978917 . 115.1274223 . 176.4374995 . B 102 ASN H B 102 ASN N B 102 ASN C 69 80 566844790 . 24285136 . 8.471230092 . 114.6029924 . 176.5273767 . B 103 LEU H B 103 LEU N B 102 ASN C 68 79 673664898 . 28878902 . 8.474024914 . 114.5585046 . 178.2063395 . B 103 LEU H B 103 LEU N B 103 LEU C 131 148 1169113076 . 48021352 . 10.12183151 . 129.5763573 . 177.0709237 . B 106 ARG H B 106 ARG N B 106 ARG C 8 9 1256864216 . 51761664 . 8.545914138 . 117.3522607 . 177.0926518 . B 107 SER H B 107 SER N B 106 ARG C 153 171 4863850048 . 206514912 . 7.536060596 . 114.1647746 . 172.479402 . B 108 THR H B 108 THR N B 108 THR C 151 169 1.981797414e+10 . 854534528 . 7.775140851 . 123.5263162 . 175.7682066 . B 110 HIS H B 110 HIS N B 109 PRO C 152 170 4.386704589e+10 . 1900171520 . 7.775332537 . 123.5446885 . 178.4578626 . B 110 HIS H B 110 HIS N B 110 HIS C ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51026 4 2 . . C 13 C . . . ppm . . . . . . 51026 4 3 . . N 15 N . . . ppm . . . . . . 51026 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51026 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm 1H 750.2940063 6.701342418 11.99808685 circular true true 2 ppm 15N 76.03500366 35.07157051 135.9137799 circular true false _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 45 51 173928979 . 21878482 . 8.177309605 . 121.0704361 . A 1 MET H% A 1 MET N 25 31 167878345 . 22326328 . 8.305870246 . 122.6809744 . A 2 ASN H A 2 ASN N 138 144 44074693.5 . 5709949.5 . 8.438413146 . 116.6534248 . A 4 TYR H A 4 TYR N 58 64 44002491.75 . 5421929 . 7.835889727 . 120.6129781 . A 5 ILE H A 5 ILE N 115 121 32062027 . 4039316.75 . 6.780537694 . 118.4748296 . A 6 TYR H A 6 TYR N 109 115 48242513 . 6144469 . 7.712567769 . 118.7652726 . A 7 LEU H A 7 LEU N 191 203 46933618.5 . 6010428 . 8.41997319 . 105.2897799 . A 8 GLY H A 8 GLY N 183 195 40247761.25 . 5140018 . 8.359852849 . 107.5684585 . A 9 GLY H A 9 GLY N 9 15 43231388.75 . 5576630 . 8.406224641 . 125.736283 . A 10 ALA H A 10 ALA N 59 65 29641786.5 . 3843281 . 7.682493501 . 120.6364606 . A 11 ILE H A 11 ILE N 206 219 76603919 . 9215313 . 7.799192963 . 118.470161 . A 12 LEU H A 12 LEU N 116 122 62147966 . 8007638.5 . 8.422300554 . 118.3704106 . A 13 ALA H A 13 ALA N 99 105 71966816.5 . 9060831 . 7.651170724 . 119.2859545 . A 14 GLU H A 14 GLU N 213 226 86271783 . 10595610 . 8.698699109 . 117.2180422 . A 15 VAL H A 15 VAL N 22 28 68696323.5 . 8712137 . 8.443738432 . 122.7701716 . A 16 ILE H A 16 ILE N 175 185 60287796 . 7438129 . 8.513568608 . 111.1767887 . A 17 GLY H A 17 GLY N 57 63 33970472.5 . 4251325 . 7.917234258 . 120.6493045 . A 19 THR H A 19 THR N 20 26 69764204 . 8782488 . 8.565348642 . 122.8350975 . A 20 LEU H A 20 LEU N 42 48 61373517 . 7732356.5 . 8.342597202 . 121.2027335 . A 21 MET H A 21 MET N 10 16 79690408 . 10342047 . 7.611484421 . 125.3069972 . A 22 LYS H A 22 LYS N 104 110 70492801.5 . 8700003 . 7.33250226 . 119.0160396 . A 23 PHE H A 23 PHE N 163 169 61701171 . 7762611 . 7.949084346 . 113.454583 . A 24 SER H A 24 SER N 40 46 97017255.5 . 12748491 . 7.649471641 . 121.2825496 . A 25 GLU H A 25 GLU N 172 182 66263424 . 8478816 . 9.202594927 . 111.9080516 . A 26 GLY H A 26 GLY N 167 175 61891275 . 7918741.5 . 7.966041068 . 112.8886044 . A 27 PHE H A 27 PHE N 202 215 43977088 . 5420495 . 7.527292401 . 102.5032404 . A 28 THR H A 28 THR N 75 81 49134782 . 6112946 . 7.47348332 . 119.9465885 . A 29 ARG H A 29 ARG N 2 5 101817259 . 13254977 . 9.039826647 . 130.9309692 . A 30 LEU H A 30 LEU N 105 111 140070166 . 18282988 . 9.258983016 . 118.9295935 . A 31 TRP H A 31 TRP N 162 168 47735828 . 6024671.5 . 7.193762617 . 113.7346787 . A 33 SER H A 33 SER N 33 39 100067278 . 12377606 . 8.381856293 . 121.9388017 . A 34 VAL H A 34 VAL N 187 199 60325957 . 7807815 . 8.704349941 . 106.1973923 . A 35 GLY H A 35 GLY N 35 41 55258122 . 6758961.5 . 8.506940183 . 121.6355519 . A 36 THR H A 36 THR N 95 101 61356955 . 7871684.5 . 7.616664712 . 119.3422257 . A 37 ILE H A 37 ILE N 78 84 71244565.5 . 8914875 . 8.534137798 . 119.7624386 . A 38 ILE H A 38 ILE N 127 133 38378826.75 . 4921850 . 8.298517671 . 117.6567334 . A 39 CYS H A 39 CYS N 89 95 40250920.25 . 5185682.5 . 8.96646206 . 119.482777 . A 40 TYR H A 40 TYR N 197 209 149244420 . 17772686 . 8.739647029 . 118.8976488 . A 41 CYS H A 41 CYS N 56 62 68911618.5 . 8496003 . 8.422979618 . 120.7110728 . A 42 ALA H A 42 ALA N 174 184 63004721.5 . 7902586.5 . 8.520937152 . 111.4613862 . A 43 SER H A 43 SER N 146 152 39524158.25 . 5095261.5 . 8.623098761 . 115.6600453 . A 44 PHE H A 44 PHE N 46 52 99093182 . 12201169 . 8.415902165 . 121.0060216 . A 45 TRP H A 45 TRP N 77 83 61071433.5 . 7689202 . 8.688104306 . 119.7260439 . A 46 LEU H A 46 LEU N 44 50 38395298.75 . 4824202.5 . 8.821635938 . 121.1174827 . A 47 LEU H A 47 LEU N 208 221 127031029 . 15417697 . 8.390791559 . 122.8170275 . A 48 ALA H A 48 ALA N 164 171 61885275 . 7943542 . 7.14883028 . 113.3806693 . A 49 GLN H A 49 GLN N 217 230 21756917 . 2684317.25 . 7.855135551 . 109.489382 . A 50 THR H A 50 THR N 36 42 48616352.5 . 6178943.5 . 7.202204315 . 121.6096241 . A 51 LEU H A 51 LEU N 113 119 111731326 . 13706278 . 7.77360203 . 118.4929085 . A 52 ALA H A 52 ALA N 159 165 40962104.75 . 5190347.5 . 7.626719585 . 113.8034583 . A 53 TYR H A 53 TYR N 80 86 72318603 . 8806553 . 7.84467187 . 119.661949 . A 54 ILE H A 54 ILE N 93 99 96271712 . 12186082 . 8.467790484 . 119.4086027 . A 56 THR H A 56 THR N 179 191 59624649.5 . 7595207.5 . 9.013027731 . 108.7102819 . A 57 GLY H A 57 GLY N 60 66 55701920.5 . 7155167.5 . 6.897554616 . 120.6132971 . A 58 ILE H A 58 ILE N 43 49 53954742 . 6959457 . 7.959941807 . 121.1694545 . A 59 ALA H A 59 ALA N 139 145 63267383 . 8076369 . 8.707782085 . 116.6097412 . A 60 TYR H A 60 TYR N 85 91 76857158 . 9149162 . 7.854550945 . 119.5763262 . A 61 ALA H A 61 ALA N 145 151 50432008.5 . 6488921.5 . 8.121539634 . 115.9496264 . A 62 ILE H A 62 ILE N 38 44 53761256 . 6662515 . 8.277339178 . 121.321108 . A 63 TRP H A 63 TRP N 142 148 34913972.5 . 4315995 . 8.531415149 . 116.2999301 . A 64 VAL H A 64 VAL N 194 206 27802527.5 . 3511675.75 . 7.9512343 . 104.5690248 . A 65 GLY H A 65 GLY N 129 135 70782078.5 . 8671113 . 8.563523441 . 117.467873 . A 66 VAL H A 66 VAL N 215 228 17829318.12 . 2237741.5 . 9.014074097 . 110.4635971 . A 67 GLY H A 67 GLY N 91 97 60970731.5 . 7679418.5 . 8.564168797 . 119.4524556 . A 68 ILE H A 68 ILE N 73 79 51952318.75 . 6783575.5 . 7.18506583 . 120.124542 . A 69 VAL H A 69 VAL N 117 123 46648385.5 . 5931275 . 8.810581159 . 118.3120631 . A 70 LEU H A 70 LEU N 86 92 53245827.5 . 6831836.5 . 9.392040638 . 119.5208554 . A 71 ILE H A 71 ILE N 71 77 37432161.5 . 4584281 . 7.539630286 . 120.2079081 . A 72 SER H A 72 SER N 11 17 74860604.5 . 9587964 . 8.377939817 . 124.4273509 . A 73 LEU H A 73 LEU N 221 234 37410023.75 . 4409738 . 8.734731326 . 118.8950271 . A 74 LEU H A 74 LEU N 150 156 63270640.5 . 7920663 . 8.153806319 . 115.0441229 . A 75 SER H A 75 SER N 6 12 62641071.5 . 8061222.5 . 7.962759624 . 126.3671696 . A 76 TRP H A 76 TRP N 193 205 70396508.5 . 9137408 . 8.267313555 . 104.6013615 . A 77 GLY H A 77 GLY N 160 166 73239110 . 9566456 . 8.346640964 . 113.721341 . A 78 PHE H A 78 PHE N 171 181 49165353.5 . 6306913.5 . 6.846110389 . 112.2361987 . A 79 PHE H A 79 PHE N 177 189 57478266.5 . 7341509.5 . 7.490102696 . 109.6849526 . A 80 GLY H A 80 GLY N 107 113 87063070 . 10964947 . 7.361047365 . 118.8598713 . A 81 GLN H A 81 GLN N 5 11 146949270 . 19382922 . 8.027668588 . 126.8613856 . A 82 ARG H A 82 ARG N 27 33 100315878 . 12970074 . 6.997553927 . 122.576828 . A 83 LEU H A 83 LEU N 102 108 116797189 . 14949829 . 7.470772344 . 119.1304352 . A 84 ASP H A 84 ASP N 114 120 141828330 . 18442592 . 8.719837233 . 118.4493387 . A 85 LEU H A 85 LEU N 131 137 80372205.5 . 10348532 . 7.519578341 . 117.3043646 . A 87 ALA H A 87 ALA N 122 128 71149108.5 . 9189689 . 8.137372246 . 117.9650417 . A 88 ILE H A 88 ILE N 92 98 75942805 . 9403441 . 8.800436753 . 119.39926 . A 89 ILE H A 89 ILE N 181 193 55884428 . 7255026 . 8.739846276 . 107.7828667 . A 90 GLY H A 90 GLY N 50 56 53240777.5 . 6857351.5 . 8.753511538 . 120.8564392 . A 91 MET H A 91 MET N 204 217 84356261 . 10233661 . 8.565037836 . 120.0440417 . A 92 MET H A 92 MET N 61 67 56458204.5 . 7123900 . 8.240045654 . 120.5769827 . A 93 LEU H A 93 LEU N 209 222 53324073.5 . 6602866.5 . 7.947880285 . 118.5130666 . A 94 ILE H A 94 ILE N 124 130 50369352.5 . 6377996.5 . 8.384877555 . 117.8731145 . A 95 CYS H A 95 CYS N 90 96 59789506.5 . 7370023 . 8.769951181 . 119.4729095 . A 96 ALA H A 96 ALA N 192 204 48043099.5 . 6262736 . 8.494684445 . 104.8732002 . A 97 GLY H A 97 GLY N 48 54 57134451 . 7214143 . 8.292839961 . 120.9106816 . A 98 VAL H A 98 VAL N 51 57 52827550 . 6354807 . 8.314509202 . 120.8457931 . A 99 LEU H@10167 A 99 LEU N@10166 111 117 47017367 . 6122575.5 . 8.277443489 . 118.7242452 . A 100 ILE H A 100 ILE N 112 118 60729166 . 7680180.5 . 7.924049137 . 118.5511313 . A 101 ILE H A 101 ILE N 152 158 42357527.5 . 5309795 . 7.916154943 . 114.8927774 . A 102 ASN H A 102 ASN N 155 161 44460061.5 . 5718901 . 8.229402169 . 114.46113 . A 103 LEU H A 103 LEU N 149 155 36670356 . 4594885.5 . 7.643890826 . 115.0638174 . A 104 LEU H A 104 LEU N 170 179 80873881 . 10440133 . 7.115011927 . 112.3585176 . A 105 SER H A 105 SER N 4 10 98363562 . 12845478 . 9.417062846 . 127.4583186 . A 106 ARG H A 106 ARG N 133 139 181649060 . 23343276 . 8.444097585 . 117.0820378 . A 107 SER H A 107 SER N 137 143 287014282 . 38578624 . 7.636503915 . 116.7321327 . A 108 THR H A 108 THR N 16 22 345613846 . 46382248 . 7.909521833 . 123.8260615 . A 110 HIS H A 110 HIS N 220 233 139806261 . 17145770 . 8.196155906 . 121.0704361 . B 1 MET H% B 1 MET N 21 27 229682304 . 29928400 . 8.376081498 . 122.8040549 . B 2 ASN H B 2 ASN N 140 146 45767318 . 5802229.5 . 8.390511496 . 116.449172 . B 4 TYR H B 4 TYR N 39 45 35577965.25 . 4625941 . 7.858514512 . 121.3424964 . B 5 ILE H B 5 ILE N 110 116 39157614 . 4986207 . 6.842478339 . 118.8145563 . B 6 TYR H B 6 TYR N 68 74 45676284 . 5601954 . 7.853708722 . 120.4645561 . B 7 LEU H B 7 LEU N 186 198 46572674.5 . 5930362.5 . 8.793054695 . 106.7366543 . B 8 GLY H B 8 GLY N 176 188 45398231 . 5866151 . 8.740301178 . 109.7325668 . B 9 GLY H B 9 GLY N 8 14 49515480.5 . 6253257.5 . 8.896938406 . 125.741463 . B 10 ALA H B 10 ALA N 24 30 44722269.5 . 5600407 . 8.517487704 . 122.6775827 . B 11 ILE H B 11 ILE N 41 47 48536543.5 . 6242496.5 . 8.534033326 . 121.1887206 . B 12 LEU H B 12 LEU N 198 210 100640793 . 12114390 . 8.726199109 . 119.2326676 . B 13 ALA H B 13 ALA N 118 124 53324778 . 6725380.5 . 7.86304709 . 118.1303438 . B 14 GLU H B 14 GLU N 19 25 48889273.5 . 6146782.5 . 8.472950308 . 123.1207233 . B 15 VAL H B 15 VAL N 31 37 55441617.5 . 7120710 . 8.693158395 . 122.0230799 . B 16 ILE H B 16 ILE N 184 196 53250316 . 6768798 . 8.488014419 . 107.099984 . B 17 GLY H B 17 GLY N 203 216 37211732 . 4475457 . 7.742332426 . 119.5156628 . B 19 THR H B 19 THR N 62 68 61916746 . 7546403.5 . 8.152347242 . 120.5402352 . B 20 LEU H B 20 LEU N 49 55 59227140.5 . 7588652 . 8.005660056 . 120.8994136 . B 21 MET H B 21 MET N 26 32 86179267.5 . 11023962 . 7.602760195 . 122.6314686 . B 22 LYS H B 22 LYS N 126 132 165469708 . 21281486 . 7.491546325 . 117.7022811 . B 23 PHE H B 23 PHE N 151 157 68521562 . 8799851 . 7.843121146 . 115.0183091 . B 24 SER H B 24 SER N 30 36 103630888 . 13248260 . 8.072180323 . 122.127877 . B 25 GLU H B 25 GLU N 166 174 86953353.5 . 11246400 . 9.134853452 . 113.0597495 . B 26 GLY H B 26 GLY N 161 167 77548934.5 . 9919792 . 7.865682093 . 113.7288229 . B 27 PHE H B 27 PHE N 195 207 48530010 . 6057686 . 7.517215793 . 102.4947548 . B 28 THR H B 28 THR N 54 60 56363798 . 7295769 . 7.532603485 . 120.7752382 . B 29 ARG H B 29 ARG N 1 3 89016337 . 11521193 . 8.933275227 . 130.9797222 . B 30 LEU H B 30 LEU N 108 114 122212621 . 16052389 . 9.196653884 . 118.7890816 . B 31 TRP H B 31 TRP N 147 153 56977725.5 . 7262550 . 7.22347228 . 115.4223735 . B 33 SER H B 33 SER N 32 38 99850976 . 12386234 . 8.399695097 . 122.0101569 . B 34 VAL H B 34 VAL N 189 201 64735109 . 8350430 . 8.774640322 . 105.6400018 . B 35 GLY H B 35 GLY N 37 43 53154740.5 . 6681816 . 8.245298952 . 121.5364095 . B 36 THR H B 36 THR N 94 100 62563774 . 7631856 . 7.459789164 . 119.3756315 . B 37 ILE H B 37 ILE N 97 103 72780731 . 8727711 . 8.381280701 . 119.2852781 . B 38 ILE H B 38 ILE N 136 142 44875906 . 5674954 . 8.250206094 . 116.7266564 . B 39 CYS H B 39 CYS N 96 102 104257961 . 12941804 . 8.713165338 . 119.2362631 . B 40 TYR H B 40 TYR N 196 208 75419580.5 . 8858769 . 8.536437005 . 117.4840035 . B 41 CYS H B 41 CYS N 70 76 59110184 . 7534220 . 8.396614912 . 120.1943442 . B 42 ALA H B 42 ALA N 169 177 58551528.5 . 7549833 . 8.373391644 . 112.6671082 . B 43 SER H B 43 SER N 143 149 50807430.5 . 6461039.5 . 8.197902512 . 116.2766626 . B 44 PHE H B 44 PHE N 52 58 52497116.5 . 6747477 . 8.612741641 . 120.7985352 . B 45 TRP H B 45 TRP N 100 106 58496927.5 . 6807529 . 8.815544218 . 119.1830558 . B 46 LEU H B 46 LEU N 28 34 34989076.75 . 4442480 . 8.649199001 . 122.3885468 . B 47 LEU H B 47 LEU N 201 214 89428629 . 11032537 . 8.436311565 . 121.0428902 . B 48 ALA H B 48 ALA N 154 160 57553527.5 . 7366163 . 7.230846745 . 114.5189653 . B 49 GLN H B 49 GLN N 216 229 20627320.38 . 2500583.75 . 7.447809005 . 109.7737289 . B 50 THR H B 50 THR N 121 127 38154764.5 . 4929638.5 . 6.941844711 . 118.0411073 . B 51 LEU H B 51 LEU N 81 87 57479584.5 . 7421677 . 6.991779852 . 119.6573846 . B 52 ALA H B 52 ALA N 168 176 35201290 . 4494836 . 7.464794724 . 112.9154945 . B 53 TYR H B 53 TYR N 98 104 64387948.5 . 8124670 . 7.711448542 . 119.2906046 . B 54 ILE H B 54 ILE N 18 24 55782464.5 . 7111731 . 9.0081287 . 123.4630138 . B 56 THR H B 56 THR N 185 197 43114235.25 . 5464397 . 10.05191712 . 106.8695138 . B 57 GLY H B 57 GLY N 125 131 59457004 . 7673110 . 6.500390356 . 117.8872891 . B 58 ILE H B 58 ILE N 212 225 63706239 . 7000894 . 8.061582767 . 121.9126083 . B 59 ALA H B 59 ALA N 130 136 91750482.5 . 11408568 . 8.714397862 . 117.2808372 . B 60 TYR H B 60 TYR N 119 125 63226687 . 8131809 . 8.065404364 . 118.0307367 . B 61 ALA H B 61 ALA N 132 138 66701591 . 8389853 . 8.530185291 . 117.0588839 . B 62 ILE H B 62 ILE N 34 40 46241320.5 . 5866421 . 8.759304543 . 121.8090967 . B 63 TRP H B 63 TRP N 135 141 35934219.75 . 4430604.5 . 8.350175773 . 116.8122787 . B 64 VAL H B 64 VAL N 180 192 39685783.75 . 5064968.5 . 8.544215249 . 108.3266962 . B 65 GLY H B 65 GLY N 63 69 49109649.5 . 6304108.5 . 9.038992568 . 120.4762726 . B 66 VAL H B 66 VAL N 214 227 19884112.88 . 2501610.5 . 7.14045461 . 105.3903127 . B 67 GLY H B 67 GLY N 66 72 89858968 . 11150813 . 7.337079374 . 120.5034377 . B 68 ILE H B 68 ILE N 23 29 59300688 . 7552586.5 . 7.564809853 . 122.7640553 . B 69 VAL H B 69 VAL N 134 140 40500116.5 . 5182944.5 . 8.117356841 . 117.1035191 . B 70 LEU H B 70 LEU N 103 109 89721275.5 . 10984227 . 8.406758307 . 119.0247376 . B 71 ILE H B 71 ILE N 101 107 58296692 . 7375180.5 . 7.95763156 . 119.2288414 . B 72 SER H B 72 SER N 53 59 74145190.5 . 9391214 . 8.128229882 . 120.7981594 . B 73 LEU H B 73 LEU N 74 80 100129065 . 11896407 . 8.59243026 . 119.9741036 . B 74 LEU H B 74 LEU N 211 224 135509678 . 17083210 . 8.463096605 . 117.0777355 . B 75 SER H B 75 SER N 14 20 65355448.5 . 8468578 . 7.81775763 . 124.2484134 . B 76 TRP H B 76 TRP N 190 202 69430581 . 9038546 . 8.687495588 . 105.3045735 . B 77 GLY H B 77 GLY N 165 173 56188688 . 7197639 . 8.168639943 . 113.3289615 . B 78 PHE H B 78 PHE N 158 164 56782002 . 7241913.5 . 7.166164917 . 114.12353 . B 79 PHE H A 79 PHE N 178 190 76771483.5 . 9952096 . 7.901279374 . 108.963273 . B 80 GLY H B 80 GLY N 64 70 125144399 . 16382449 . 7.733816345 . 120.5073123 . B 81 GLN H B 81 GLN N 15 21 231798758 . 30967586 . 8.237505135 . 124.0792428 . B 82 ARG H B 82 ARG N 12 18 197060686 . 26160962 . 8.090660189 . 124.3580002 . B 83 LEU H B 83 LEU N 65 71 146814376 . 19177106 . 7.42499088 . 120.5138217 . B 84 ASP H B 84 ASP N 106 112 195663378 . 24438868 . 8.720672454 . 118.7939097 . B 85 LEU H B 85 LEU N 200 213 106167550.5 . 13109058 . 7.511590958 . 117.6986366 . B 87 ALA H B 87 ALA N 123 129 68610460 . 8810808 . 7.931668177 . 117.9558504 . B 88 ILE H B 88 ILE N 82 88 61472882 . 7790444 . 8.648293899 . 119.584321 . B 89 ILE H B 89 ILE N 182 194 57852733 . 7538644 . 8.850477156 . 107.5624628 . B 90 GLY H B 90 GLY N 79 85 68120930 . 8681421 . 8.507745417 . 119.7713533 . B 91 MET H B 91 MET N 87 93 60370098.5 . 7191098 . 8.376822635 . 119.5299182 . B 92 MET H B 92 MET N 83 89 39814336.5 . 5177600.5 . 8.261057893 . 119.5802449 . B 93 LEU H B 93 LEU N 120 126 31706289.25 . 4082915.25 . 7.8030623 . 118.0549171 . B 94 ILE H B 94 ILE N 141 147 42256589 . 5443501.5 . 8.128187308 . 116.394482 . B 95 CYS H B 95 CYS N 205 218 67564346.5 . 7796822.5 . 8.586394188 . 120.2329392 . B 96 ALA H B 96 ALA N 188 200 51564594.5 . 6701682 . 8.442979558 . 105.711033 . B 97 GLY H B 97 GLY N 69 75 58555090.5 . 7235742.5 . 8.18927472 . 120.3393172 . B 98 VAL H B 98 VAL N 84 90 50940057 . 6617766.5 . 8.019212382 . 119.6369791 . B 99 LEU H B 99 LEU N 210 223 85599576 . 9888277 . 8.398952477 . 119.1624405 . B 100 ILE H B 100 ILE N 207 220 94570905 . 11217834 . 7.787666077 . 118.5593432 . B 101 ILE H B 101 ILE N 148 154 64293452.5 . 8113154.5 . 8.11772451 . 115.1333815 . B 102 ASN H B 102 ASN N 153 159 56870296 . 7366617 . 8.460856159 . 114.5657038 . B 103 LEU H B 103 LEU N 156 162 49444156.5 . 6284798 . 7.81198902 . 114.2779493 . B 104 LEU H B 104 LEU N 173 183 66427708.5 . 8667598 . 7.460947128 . 111.729984 . B 105 SER H B 105 SER N 3 9 63651551 . 8247966.5 . 10.1076601 . 129.6005019 . B 106 ARG H B 106 ARG N 128 134 78551410 . 9194740 . 8.528141767 . 117.6126976 . B 107 SER H B 107 SER N 157 163 150354274 . 19550384 . 7.528028338 . 114.1712282 . B 108 THR H B 108 THR N 17 23 452501376 . 62036164 . 7.763506347 . 123.534695 . B 110 HIS H B 110 HIS N ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . . ppm . . . . . . 51026 5 3 . . N 15 N . . . ppm . . . . . . 51026 5 stop_ save_