data_27458 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27458 _Entry.Title ; Backbone and Side-chain Chemical Shift Assignments for MarH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-20 _Entry.Accession_date 2018-04-20 _Entry.Last_release_date 2018-04-20 _Entry.Original_release_date 2018-04-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Bin Liu . . . . 27458 2 Kaifeng Hu . . . . 27458 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27458 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 27458 '15N chemical shifts' 116 27458 '1H chemical shifts' 786 27458 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 . . 2018-11-07 2018-04-20 update BMRB 'update entry citation' 27458 1 . . 2018-06-20 2018-04-20 original author 'original release' 27458 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27458 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-018-9835-2 _Citation.PubMed_ID 30054867 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain chemical shift assignments of MarH, a critical intermediary epimerase for biosynthesis of Maremycins in Streptomyces ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 335 _Citation.Page_last 338 _Citation.Year 2018 _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 Bin Liu B. . . . 27458 1 2 Shiqi Fang S. . . . 27458 1 3 Xiaofang Ma X. . . . 27458 1 4 Zhiqiang Bai Z. . . . 27458 1 5 Kaifeng Hu K. . . . 27458 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27458 _Assembly.ID 1 _Assembly.Name 'MarH dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MarH dimer, subunit 1' 1 $MarH A . yes native no no . . . 27458 1 2 'MarH dimer, subunit 2' 1 $MarH B . yes native no no . . . 27458 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MarH _Entity.Sf_category entity _Entity.Sf_framecode MarH _Entity.Entry_ID 27458 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MarH _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 ; GSRPADPEIVEGLPIPLAVA GHHQPAPFYLTADMFGGLPV QLAGGELSTLVGKPVAAPHT HPVDELYLLVSPNKGGARIE VQLDGRRHELLSPAVMRIPA GSEHCFLTLEAEVGSYCFGI LLGDRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27458 1 2 . SER . 27458 1 3 . ARG . 27458 1 4 . PRO . 27458 1 5 . ALA . 27458 1 6 . ASP . 27458 1 7 . PRO . 27458 1 8 . GLU . 27458 1 9 . ILE . 27458 1 10 . VAL . 27458 1 11 . GLU . 27458 1 12 . GLY . 27458 1 13 . LEU . 27458 1 14 . PRO . 27458 1 15 . ILE . 27458 1 16 . PRO . 27458 1 17 . LEU . 27458 1 18 . ALA . 27458 1 19 . VAL . 27458 1 20 . ALA . 27458 1 21 . GLY . 27458 1 22 . HIS . 27458 1 23 . HIS . 27458 1 24 . GLN . 27458 1 25 . PRO . 27458 1 26 . ALA . 27458 1 27 . PRO . 27458 1 28 . PHE . 27458 1 29 . TYR . 27458 1 30 . LEU . 27458 1 31 . THR . 27458 1 32 . ALA . 27458 1 33 . ASP . 27458 1 34 . MET . 27458 1 35 . PHE . 27458 1 36 . GLY . 27458 1 37 . GLY . 27458 1 38 . LEU . 27458 1 39 . PRO . 27458 1 40 . VAL . 27458 1 41 . GLN . 27458 1 42 . LEU . 27458 1 43 . ALA . 27458 1 44 . GLY . 27458 1 45 . GLY . 27458 1 46 . GLU . 27458 1 47 . LEU . 27458 1 48 . SER . 27458 1 49 . THR . 27458 1 50 . LEU . 27458 1 51 . VAL . 27458 1 52 . GLY . 27458 1 53 . LYS . 27458 1 54 . PRO . 27458 1 55 . VAL . 27458 1 56 . ALA . 27458 1 57 . ALA . 27458 1 58 . PRO . 27458 1 59 . HIS . 27458 1 60 . THR . 27458 1 61 . HIS . 27458 1 62 . PRO . 27458 1 63 . VAL . 27458 1 64 . ASP . 27458 1 65 . GLU . 27458 1 66 . LEU . 27458 1 67 . TYR . 27458 1 68 . LEU . 27458 1 69 . LEU . 27458 1 70 . VAL . 27458 1 71 . SER . 27458 1 72 . PRO . 27458 1 73 . ASN . 27458 1 74 . LYS . 27458 1 75 . GLY . 27458 1 76 . GLY . 27458 1 77 . ALA . 27458 1 78 . ARG . 27458 1 79 . ILE . 27458 1 80 . GLU . 27458 1 81 . VAL . 27458 1 82 . GLN . 27458 1 83 . LEU . 27458 1 84 . ASP . 27458 1 85 . GLY . 27458 1 86 . ARG . 27458 1 87 . ARG . 27458 1 88 . HIS . 27458 1 89 . GLU . 27458 1 90 . LEU . 27458 1 91 . LEU . 27458 1 92 . SER . 27458 1 93 . PRO . 27458 1 94 . ALA . 27458 1 95 . VAL . 27458 1 96 . MET . 27458 1 97 . ARG . 27458 1 98 . ILE . 27458 1 99 . PRO . 27458 1 100 . ALA . 27458 1 101 . GLY . 27458 1 102 . SER . 27458 1 103 . GLU . 27458 1 104 . HIS . 27458 1 105 . CYS . 27458 1 106 . PHE . 27458 1 107 . LEU . 27458 1 108 . THR . 27458 1 109 . LEU . 27458 1 110 . GLU . 27458 1 111 . ALA . 27458 1 112 . GLU . 27458 1 113 . VAL . 27458 1 114 . GLY . 27458 1 115 . SER . 27458 1 116 . TYR . 27458 1 117 . CYS . 27458 1 118 . PHE . 27458 1 119 . GLY . 27458 1 120 . ILE . 27458 1 121 . LEU . 27458 1 122 . LEU . 27458 1 123 . GLY . 27458 1 124 . ASP . 27458 1 125 . ARG . 27458 1 126 . LEU . 27458 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27458 1 . SER 2 2 27458 1 . ARG 3 3 27458 1 . PRO 4 4 27458 1 . ALA 5 5 27458 1 . ASP 6 6 27458 1 . PRO 7 7 27458 1 . GLU 8 8 27458 1 . ILE 9 9 27458 1 . VAL 10 10 27458 1 . GLU 11 11 27458 1 . GLY 12 12 27458 1 . LEU 13 13 27458 1 . PRO 14 14 27458 1 . ILE 15 15 27458 1 . PRO 16 16 27458 1 . LEU 17 17 27458 1 . ALA 18 18 27458 1 . VAL 19 19 27458 1 . ALA 20 20 27458 1 . GLY 21 21 27458 1 . HIS 22 22 27458 1 . HIS 23 23 27458 1 . GLN 24 24 27458 1 . PRO 25 25 27458 1 . ALA 26 26 27458 1 . PRO 27 27 27458 1 . PHE 28 28 27458 1 . TYR 29 29 27458 1 . LEU 30 30 27458 1 . THR 31 31 27458 1 . ALA 32 32 27458 1 . ASP 33 33 27458 1 . MET 34 34 27458 1 . PHE 35 35 27458 1 . GLY 36 36 27458 1 . GLY 37 37 27458 1 . LEU 38 38 27458 1 . PRO 39 39 27458 1 . VAL 40 40 27458 1 . GLN 41 41 27458 1 . LEU 42 42 27458 1 . ALA 43 43 27458 1 . GLY 44 44 27458 1 . GLY 45 45 27458 1 . GLU 46 46 27458 1 . LEU 47 47 27458 1 . SER 48 48 27458 1 . THR 49 49 27458 1 . LEU 50 50 27458 1 . VAL 51 51 27458 1 . GLY 52 52 27458 1 . LYS 53 53 27458 1 . PRO 54 54 27458 1 . VAL 55 55 27458 1 . ALA 56 56 27458 1 . ALA 57 57 27458 1 . PRO 58 58 27458 1 . HIS 59 59 27458 1 . THR 60 60 27458 1 . HIS 61 61 27458 1 . PRO 62 62 27458 1 . VAL 63 63 27458 1 . ASP 64 64 27458 1 . GLU 65 65 27458 1 . LEU 66 66 27458 1 . TYR 67 67 27458 1 . LEU 68 68 27458 1 . LEU 69 69 27458 1 . VAL 70 70 27458 1 . SER 71 71 27458 1 . PRO 72 72 27458 1 . ASN 73 73 27458 1 . LYS 74 74 27458 1 . GLY 75 75 27458 1 . GLY 76 76 27458 1 . ALA 77 77 27458 1 . ARG 78 78 27458 1 . ILE 79 79 27458 1 . GLU 80 80 27458 1 . VAL 81 81 27458 1 . GLN 82 82 27458 1 . LEU 83 83 27458 1 . ASP 84 84 27458 1 . GLY 85 85 27458 1 . ARG 86 86 27458 1 . ARG 87 87 27458 1 . HIS 88 88 27458 1 . GLU 89 89 27458 1 . LEU 90 90 27458 1 . LEU 91 91 27458 1 . SER 92 92 27458 1 . PRO 93 93 27458 1 . ALA 94 94 27458 1 . VAL 95 95 27458 1 . MET 96 96 27458 1 . ARG 97 97 27458 1 . ILE 98 98 27458 1 . PRO 99 99 27458 1 . ALA 100 100 27458 1 . GLY 101 101 27458 1 . SER 102 102 27458 1 . GLU 103 103 27458 1 . HIS 104 104 27458 1 . CYS 105 105 27458 1 . PHE 106 106 27458 1 . LEU 107 107 27458 1 . THR 108 108 27458 1 . LEU 109 109 27458 1 . GLU 110 110 27458 1 . ALA 111 111 27458 1 . GLU 112 112 27458 1 . VAL 113 113 27458 1 . GLY 114 114 27458 1 . SER 115 115 27458 1 . TYR 116 116 27458 1 . CYS 117 117 27458 1 . PHE 118 118 27458 1 . GLY 119 119 27458 1 . ILE 120 120 27458 1 . LEU 121 121 27458 1 . LEU 122 122 27458 1 . GLY 123 123 27458 1 . ASP 124 124 27458 1 . ARG 125 125 27458 1 . LEU 126 126 27458 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27458 _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 $MarH . 1883 organism . Streptomyces Streptomyces . . Bacteria . Streptomyces . . . . . . . . . . . . . . 27458 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27458 _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 $MarH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27458 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27458 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '94% H2O/6% 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 MarH '[U-99% 13C; U-99% 15N]' . . 1 $MarH . . 0.4 . . mM . . . . 27458 1 2 Na2HPO4 'natural abundance' . . . . . . 50 . . mM . . . . 27458 1 3 KH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 27458 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 27458 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27458 1 pH 6.5 . pH 27458 1 pressure 1 . atm 27458 1 temperature 298 . K 27458 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27458 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27458 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27458 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27458 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27458 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27458 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27458 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27458 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27458 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27458 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27458 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27458 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27458 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27458 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27458 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27458 1 2 spectrometer_2 Bruker Avance . 600 . . . 27458 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27458 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27458 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27458 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27458 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27458 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27458 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27458 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27458 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27458 1 2 '2D 1H-13C HSQC' . . . 27458 1 3 '3D CBCA(CO)NH' . . . 27458 1 4 '3D HNCA' . . . 27458 1 5 '3D HNCACB' . . . 27458 1 6 '3D HNCO' . . . 27458 1 7 '3D HBHA(CO)NH' . . . 27458 1 8 '3D HCCH-TOCSY' . . . 27458 1 9 '3D CCH-TOCSY' . . . 27458 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 SER HA H 1 4.486 0.002 . 1 . . . . . 2 S HA . 27458 1 2 . 1 1 2 2 SER HB2 H 1 3.848 0.002 . 2 . . . . . 2 S HB2 . 27458 1 3 . 1 1 2 2 SER C C 13 174.055 0.000 . 1 . . . . . 2 S C . 27458 1 4 . 1 1 2 2 SER CA C 13 58.449 0.055 . 1 . . . . . 2 S CA . 27458 1 5 . 1 1 2 2 SER CB C 13 64.005 0.099 . 1 . . . . . 2 S CB . 27458 1 6 . 1 1 3 3 ARG H H 1 8.430 0.002 . 1 . . . . . 3 R H . 27458 1 7 . 1 1 3 3 ARG HA H 1 4.688 0.002 . 1 . . . . . 3 R HA . 27458 1 8 . 1 1 3 3 ARG HB2 H 1 1.742 0.004 . 2 . . . . . 3 R HB2 . 27458 1 9 . 1 1 3 3 ARG HB3 H 1 1.828 0.007 . 2 . . . . . 3 R HB3 . 27458 1 10 . 1 1 3 3 ARG HG2 H 1 1.662 0.005 . 2 . . . . . 3 R HG2 . 27458 1 11 . 1 1 3 3 ARG HG3 H 1 1.824 0.010 . 2 . . . . . 3 R HG3 . 27458 1 12 . 1 1 3 3 ARG HD2 H 1 3.203 0.003 . 2 . . . . . 3 R HD2 . 27458 1 13 . 1 1 3 3 ARG HD3 H 1 3.203 0.003 . 2 . . . . . 3 R HD3 . 27458 1 14 . 1 1 3 3 ARG HE H 1 7.462 0.003 . 1 . . . . . 3 R HE . 27458 1 15 . 1 1 3 3 ARG CA C 13 53.970 0.025 . 1 . . . . . 3 R CA . 27458 1 16 . 1 1 3 3 ARG CB C 13 30.426 0.024 . 1 . . . . . 3 R CB . 27458 1 17 . 1 1 3 3 ARG CG C 13 26.848 0.092 . 1 . . . . . 3 R CG . 27458 1 18 . 1 1 3 3 ARG CD C 13 43.449 0.027 . 1 . . . . . 3 R CD . 27458 1 19 . 1 1 3 3 ARG CZ C 13 159.311 0.000 . 1 . . . . . 3 R CZ . 27458 1 20 . 1 1 3 3 ARG N N 15 123.761 0.073 . 1 . . . . . 3 R N . 27458 1 21 . 1 1 3 3 ARG NE N 15 83.000 0.000 . 1 . . . . . 3 R NE . 27458 1 22 . 1 1 4 4 PRO HA H 1 4.413 0.004 . 1 . . . . . 4 P HA . 27458 1 23 . 1 1 4 4 PRO HB2 H 1 1.946 0.004 . 2 . . . . . 4 P HB2 . 27458 1 24 . 1 1 4 4 PRO HB3 H 1 2.365 0.003 . 2 . . . . . 4 P HB3 . 27458 1 25 . 1 1 4 4 PRO HG2 H 1 2.010 0.014 . 2 . . . . . 4 P HG2 . 27458 1 26 . 1 1 4 4 PRO HG3 H 1 2.043 0.016 . 2 . . . . . 4 P HG3 . 27458 1 27 . 1 1 4 4 PRO HD2 H 1 3.623 0.002 . 2 . . . . . 4 P HD2 . 27458 1 28 . 1 1 4 4 PRO HD3 H 1 3.838 0.001 . 2 . . . . . 4 P HD3 . 27458 1 29 . 1 1 4 4 PRO C C 13 176.475 0.000 . 1 . . . . . 4 P C . 27458 1 30 . 1 1 4 4 PRO CA C 13 63.110 0.037 . 1 . . . . . 4 P CA . 27458 1 31 . 1 1 4 4 PRO CB C 13 32.173 0.027 . 1 . . . . . 4 P CB . 27458 1 32 . 1 1 4 4 PRO CG C 13 27.452 0.035 . 1 . . . . . 4 P CG . 27458 1 33 . 1 1 4 4 PRO CD C 13 50.694 0.041 . 1 . . . . . 4 P CD . 27458 1 34 . 1 1 5 5 ALA H H 1 8.656 0.002 . 1 . . . . . 5 A H . 27458 1 35 . 1 1 5 5 ALA HA H 1 4.256 0.002 . 1 . . . . . 5 A HA . 27458 1 36 . 1 1 5 5 ALA HB1 H 1 1.367 0.001 . 1 . . . . . 5 A MB . 27458 1 37 . 1 1 5 5 ALA HB2 H 1 1.367 0.001 . 1 . . . . . 5 A MB . 27458 1 38 . 1 1 5 5 ALA HB3 H 1 1.367 0.001 . 1 . . . . . 5 A MB . 27458 1 39 . 1 1 5 5 ALA C C 13 177.465 0.000 . 1 . . . . . 5 A C . 27458 1 40 . 1 1 5 5 ALA CA C 13 52.425 0.062 . 1 . . . . . 5 A CA . 27458 1 41 . 1 1 5 5 ALA CB C 13 19.282 0.018 . 1 . . . . . 5 A CB . 27458 1 42 . 1 1 5 5 ALA N N 15 124.730 0.074 . 1 . . . . . 5 A N . 27458 1 43 . 1 1 6 6 ASP H H 1 8.247 0.007 . 1 . . . . . 6 D H . 27458 1 44 . 1 1 6 6 ASP HA H 1 4.862 0.004 . 1 . . . . . 6 D HA . 27458 1 45 . 1 1 6 6 ASP HB2 H 1 2.476 0.002 . 2 . . . . . 6 D HB2 . 27458 1 46 . 1 1 6 6 ASP HB3 H 1 2.761 0.002 . 2 . . . . . 6 D HB3 . 27458 1 47 . 1 1 6 6 ASP CA C 13 52.643 0.034 . 1 . . . . . 6 D CA . 27458 1 48 . 1 1 6 6 ASP CB C 13 40.553 0.065 . 1 . . . . . 6 D CB . 27458 1 49 . 1 1 6 6 ASP N N 15 121.318 0.057 . 1 . . . . . 6 D N . 27458 1 50 . 1 1 7 7 PRO HA H 1 4.359 0.006 . 1 . . . . . 7 P HA . 27458 1 51 . 1 1 7 7 PRO HB2 H 1 1.584 0.004 . 2 . . . . . 7 P HB2 . 27458 1 52 . 1 1 7 7 PRO HB3 H 1 1.619 0.009 . 2 . . . . . 7 P HB3 . 27458 1 53 . 1 1 7 7 PRO HG2 H 1 1.418 0.003 . 2 . . . . . 7 P HG2 . 27458 1 54 . 1 1 7 7 PRO HG3 H 1 1.722 0.004 . 2 . . . . . 7 P HG3 . 27458 1 55 . 1 1 7 7 PRO HD2 H 1 3.576 0.007 . 2 . . . . . 7 P HD2 . 27458 1 56 . 1 1 7 7 PRO HD3 H 1 3.658 0.003 . 2 . . . . . 7 P HD3 . 27458 1 57 . 1 1 7 7 PRO C C 13 176.218 0.000 . 1 . . . . . 7 P C . 27458 1 58 . 1 1 7 7 PRO CA C 13 62.238 0.035 . 1 . . . . . 7 P CA . 27458 1 59 . 1 1 7 7 PRO CB C 13 32.105 0.068 . 1 . . . . . 7 P CB . 27458 1 60 . 1 1 7 7 PRO CG C 13 26.909 0.069 . 1 . . . . . 7 P CG . 27458 1 61 . 1 1 7 7 PRO CD C 13 50.234 0.054 . 1 . . . . . 7 P CD . 27458 1 62 . 1 1 8 8 GLU H H 1 9.276 0.007 . 1 . . . . . 8 E H . 27458 1 63 . 1 1 8 8 GLU HA H 1 4.460 0.003 . 1 . . . . . 8 E HA . 27458 1 64 . 1 1 8 8 GLU HB2 H 1 2.091 0.004 . 2 . . . . . 8 E HB2 . 27458 1 65 . 1 1 8 8 GLU HB3 H 1 2.171 0.007 . 2 . . . . . 8 E HB3 . 27458 1 66 . 1 1 8 8 GLU HG2 H 1 2.193 0.008 . 2 . . . . . 8 E HG2 . 27458 1 67 . 1 1 8 8 GLU HG3 H 1 2.273 0.002 . 2 . . . . . 8 E HG3 . 27458 1 68 . 1 1 8 8 GLU C C 13 174.121 0.000 . 1 . . . . . 8 E C . 27458 1 69 . 1 1 8 8 GLU CA C 13 56.228 0.039 . 1 . . . . . 8 E CA . 27458 1 70 . 1 1 8 8 GLU CB C 13 30.753 0.052 . 1 . . . . . 8 E CB . 27458 1 71 . 1 1 8 8 GLU CG C 13 36.586 0.065 . 1 . . . . . 8 E CG . 27458 1 72 . 1 1 8 8 GLU N N 15 124.123 0.078 . 1 . . . . . 8 E N . 27458 1 73 . 1 1 9 9 ILE H H 1 7.996 0.005 . 1 . . . . . 9 I H . 27458 1 74 . 1 1 9 9 ILE HA H 1 5.031 0.003 . 1 . . . . . 9 I HA . 27458 1 75 . 1 1 9 9 ILE HB H 1 1.710 0.002 . 1 . . . . . 9 I HB . 27458 1 76 . 1 1 9 9 ILE HG12 H 1 1.442 0.004 . 2 . . . . . 9 I HG12 . 27458 1 77 . 1 1 9 9 ILE HG13 H 1 0.898 0.009 . 2 . . . . . 9 I HG13 . 27458 1 78 . 1 1 9 9 ILE HG21 H 1 0.914 0.004 . 1 . . . . . 9 I HG2 . 27458 1 79 . 1 1 9 9 ILE HG22 H 1 0.914 0.004 . 1 . . . . . 9 I HG2 . 27458 1 80 . 1 1 9 9 ILE HG23 H 1 0.914 0.004 . 1 . . . . . 9 I HG2 . 27458 1 81 . 1 1 9 9 ILE HD11 H 1 0.837 0.005 . 1 . . . . . 9 I MD . 27458 1 82 . 1 1 9 9 ILE HD12 H 1 0.837 0.005 . 1 . . . . . 9 I MD . 27458 1 83 . 1 1 9 9 ILE HD13 H 1 0.837 0.005 . 1 . . . . . 9 I MD . 27458 1 84 . 1 1 9 9 ILE C C 13 176.143 0.000 . 1 . . . . . 9 I C . 27458 1 85 . 1 1 9 9 ILE CA C 13 60.233 0.039 . 1 . . . . . 9 I CA . 27458 1 86 . 1 1 9 9 ILE CB C 13 42.504 0.056 . 1 . . . . . 9 I CB . 27458 1 87 . 1 1 9 9 ILE CG1 C 13 27.953 0.046 . 1 . . . . . 9 I CG1 . 27458 1 88 . 1 1 9 9 ILE CG2 C 13 17.910 0.041 . 1 . . . . . 9 I CG2 . 27458 1 89 . 1 1 9 9 ILE CD1 C 13 14.173 0.038 . 1 . . . . . 9 I CD . 27458 1 90 . 1 1 9 9 ILE N N 15 123.437 0.065 . 1 . . . . . 9 I N . 27458 1 91 . 1 1 10 10 VAL H H 1 9.429 0.004 . 1 . . . . . 10 V H . 27458 1 92 . 1 1 10 10 VAL HA H 1 4.300 0.002 . 1 . . . . . 10 V HA . 27458 1 93 . 1 1 10 10 VAL HB H 1 2.078 0.007 . 1 . . . . . 10 V HB . 27458 1 94 . 1 1 10 10 VAL HG11 H 1 0.982 0.007 . 2 . . . . . 10 V MG1 . 27458 1 95 . 1 1 10 10 VAL HG12 H 1 0.982 0.007 . 2 . . . . . 10 V MG1 . 27458 1 96 . 1 1 10 10 VAL HG13 H 1 0.982 0.007 . 2 . . . . . 10 V MG1 . 27458 1 97 . 1 1 10 10 VAL HG21 H 1 0.778 0.002 . 2 . . . . . 10 V MG2 . 27458 1 98 . 1 1 10 10 VAL HG22 H 1 0.778 0.002 . 2 . . . . . 10 V MG2 . 27458 1 99 . 1 1 10 10 VAL HG23 H 1 0.778 0.002 . 2 . . . . . 10 V MG2 . 27458 1 100 . 1 1 10 10 VAL C C 13 174.959 0.000 . 1 . . . . . 10 V C . 27458 1 101 . 1 1 10 10 VAL CA C 13 62.755 0.096 . 1 . . . . . 10 V CA . 27458 1 102 . 1 1 10 10 VAL CB C 13 33.522 0.035 . 1 . . . . . 10 V CB . 27458 1 103 . 1 1 10 10 VAL CG1 C 13 21.573 0.048 . 2 . . . . . 10 V CG1 . 27458 1 104 . 1 1 10 10 VAL CG2 C 13 21.507 0.051 . 2 . . . . . 10 V CG2 . 27458 1 105 . 1 1 10 10 VAL N N 15 128.823 0.125 . 1 . . . . . 10 V N . 27458 1 106 . 1 1 11 11 GLU H H 1 8.552 0.004 . 1 . . . . . 11 E H . 27458 1 107 . 1 1 11 11 GLU HA H 1 4.903 0.006 . 1 . . . . . 11 E HA . 27458 1 108 . 1 1 11 11 GLU HB2 H 1 2.053 0.003 . 2 . . . . . 11 E HB2 . 27458 1 109 . 1 1 11 11 GLU HB3 H 1 2.305 0.009 . 2 . . . . . 11 E HB3 . 27458 1 110 . 1 1 11 11 GLU HG2 H 1 2.295 0.004 . 2 . . . . . 11 E HG2 . 27458 1 111 . 1 1 11 11 GLU HG3 H 1 2.358 0.003 . 2 . . . . . 11 E HG3 . 27458 1 112 . 1 1 11 11 GLU C C 13 176.503 0.000 . 1 . . . . . 11 E C . 27458 1 113 . 1 1 11 11 GLU CA C 13 55.110 0.038 . 1 . . . . . 11 E CA . 27458 1 114 . 1 1 11 11 GLU CB C 13 32.329 0.037 . 1 . . . . . 11 E CB . 27458 1 115 . 1 1 11 11 GLU CG C 13 37.027 0.040 . 1 . . . . . 11 E CG . 27458 1 116 . 1 1 11 11 GLU N N 15 124.607 0.074 . 1 . . . . . 11 E N . 27458 1 117 . 1 1 12 12 GLY H H 1 8.722 0.004 . 1 . . . . . 12 G H . 27458 1 118 . 1 1 12 12 GLY HA2 H 1 3.778 0.003 . 2 . . . . . 12 G HA2 . 27458 1 119 . 1 1 12 12 GLY HA3 H 1 4.081 0.005 . 2 . . . . . 12 G HA3 . 27458 1 120 . 1 1 12 12 GLY C C 13 173.908 0.000 . 1 . . . . . 12 G C . 27458 1 121 . 1 1 12 12 GLY CA C 13 46.707 0.066 . 1 . . . . . 12 G CA . 27458 1 122 . 1 1 12 12 GLY N N 15 109.665 0.120 . 1 . . . . . 12 G N . 27458 1 123 . 1 1 13 13 LEU H H 1 7.324 0.006 . 1 . . . . . 13 L H . 27458 1 124 . 1 1 13 13 LEU HA H 1 4.204 0.002 . 1 . . . . . 13 L HA . 27458 1 125 . 1 1 13 13 LEU HB2 H 1 1.239 0.006 . 2 . . . . . 13 L HB2 . 27458 1 126 . 1 1 13 13 LEU HB3 H 1 1.592 0.006 . 2 . . . . . 13 L HB3 . 27458 1 127 . 1 1 13 13 LEU HG H 1 1.111 0.003 . 1 . . . . . 13 L HG . 27458 1 128 . 1 1 13 13 LEU HD11 H 1 1.515 0.006 . 2 . . . . . 13 L MD1 . 27458 1 129 . 1 1 13 13 LEU HD12 H 1 1.515 0.006 . 2 . . . . . 13 L MD1 . 27458 1 130 . 1 1 13 13 LEU HD13 H 1 1.515 0.006 . 2 . . . . . 13 L MD1 . 27458 1 131 . 1 1 13 13 LEU HD21 H 1 0.946 0.005 . 2 . . . . . 13 L MD2 . 27458 1 132 . 1 1 13 13 LEU HD22 H 1 0.946 0.005 . 2 . . . . . 13 L MD2 . 27458 1 133 . 1 1 13 13 LEU HD23 H 1 0.946 0.005 . 2 . . . . . 13 L MD2 . 27458 1 134 . 1 1 13 13 LEU CA C 13 52.145 0.055 . 1 . . . . . 13 L CA . 27458 1 135 . 1 1 13 13 LEU CB C 13 44.340 0.039 . 1 . . . . . 13 L CB . 27458 1 136 . 1 1 13 13 LEU CG C 13 26.877 0.030 . 1 . . . . . 13 L CG . 27458 1 137 . 1 1 13 13 LEU CD1 C 13 26.911 0.051 . 2 . . . . . 13 L CD1 . 27458 1 138 . 1 1 13 13 LEU CD2 C 13 22.768 0.083 . 2 . . . . . 13 L CD2 . 27458 1 139 . 1 1 13 13 LEU N N 15 118.267 0.054 . 1 . . . . . 13 L N . 27458 1 140 . 1 1 14 14 PRO HA H 1 4.064 0.005 . 1 . . . . . 14 P HA . 27458 1 141 . 1 1 14 14 PRO HB2 H 1 1.106 0.007 . 2 . . . . . 14 P HB2 . 27458 1 142 . 1 1 14 14 PRO HB3 H 1 1.403 0.006 . 2 . . . . . 14 P HB3 . 27458 1 143 . 1 1 14 14 PRO HG2 H 1 1.717 0.003 . 2 . . . . . 14 P HG2 . 27458 1 144 . 1 1 14 14 PRO HG3 H 1 1.862 0.005 . 2 . . . . . 14 P HG3 . 27458 1 145 . 1 1 14 14 PRO HD2 H 1 3.455 0.009 . 2 . . . . . 14 P HD2 . 27458 1 146 . 1 1 14 14 PRO HD3 H 1 3.700 0.004 . 2 . . . . . 14 P HD3 . 27458 1 147 . 1 1 14 14 PRO C C 13 175.091 0.000 . 1 . . . . . 14 P C . 27458 1 148 . 1 1 14 14 PRO CA C 13 61.712 0.081 . 1 . . . . . 14 P CA . 27458 1 149 . 1 1 14 14 PRO CB C 13 34.862 0.054 . 1 . . . . . 14 P CB . 27458 1 150 . 1 1 14 14 PRO CG C 13 24.142 0.046 . 1 . . . . . 14 P CG . 27458 1 151 . 1 1 14 14 PRO CD C 13 50.138 0.044 . 1 . . . . . 14 P CD . 27458 1 152 . 1 1 15 15 ILE H H 1 9.587 0.007 . 1 . . . . . 15 I H . 27458 1 153 . 1 1 15 15 ILE HA H 1 4.431 0.002 . 1 . . . . . 15 I HA . 27458 1 154 . 1 1 15 15 ILE HB H 1 1.637 0.006 . 1 . . . . . 15 I HB . 27458 1 155 . 1 1 15 15 ILE HG12 H 1 1.497 0.004 . 2 . . . . . 15 I HG12 . 27458 1 156 . 1 1 15 15 ILE HG13 H 1 1.070 0.004 . 2 . . . . . 15 I HG13 . 27458 1 157 . 1 1 15 15 ILE HG21 H 1 0.782 0.003 . 1 . . . . . 15 I HG2 . 27458 1 158 . 1 1 15 15 ILE HG22 H 1 0.782 0.003 . 1 . . . . . 15 I HG2 . 27458 1 159 . 1 1 15 15 ILE HG23 H 1 0.782 0.003 . 1 . . . . . 15 I HG2 . 27458 1 160 . 1 1 15 15 ILE HD11 H 1 0.685 0.008 . 1 . . . . . 15 I MD . 27458 1 161 . 1 1 15 15 ILE HD12 H 1 0.685 0.008 . 1 . . . . . 15 I MD . 27458 1 162 . 1 1 15 15 ILE HD13 H 1 0.685 0.008 . 1 . . . . . 15 I MD . 27458 1 163 . 1 1 15 15 ILE CA C 13 58.253 0.034 . 1 . . . . . 15 I CA . 27458 1 164 . 1 1 15 15 ILE CB C 13 40.171 0.013 . 1 . . . . . 15 I CB . 27458 1 165 . 1 1 15 15 ILE CG1 C 13 27.689 0.061 . 1 . . . . . 15 I CG1 . 27458 1 166 . 1 1 15 15 ILE CG2 C 13 16.931 0.014 . 1 . . . . . 15 I CG2 . 27458 1 167 . 1 1 15 15 ILE CD1 C 13 13.697 0.031 . 1 . . . . . 15 I CD . 27458 1 168 . 1 1 15 15 ILE N N 15 123.988 0.086 . 1 . . . . . 15 I N . 27458 1 169 . 1 1 16 16 PRO HA H 1 5.068 0.002 . 1 . . . . . 16 P HA . 27458 1 170 . 1 1 16 16 PRO HB2 H 1 1.797 0.005 . 2 . . . . . 16 P HB2 . 27458 1 171 . 1 1 16 16 PRO HB3 H 1 1.962 0.008 . 2 . . . . . 16 P HB3 . 27458 1 172 . 1 1 16 16 PRO HG2 H 1 1.937 0.004 . 2 . . . . . 16 P HG2 . 27458 1 173 . 1 1 16 16 PRO HG3 H 1 2.248 0.004 . 2 . . . . . 16 P HG3 . 27458 1 174 . 1 1 16 16 PRO HD2 H 1 3.734 0.009 . 2 . . . . . 16 P HD2 . 27458 1 175 . 1 1 16 16 PRO HD3 H 1 3.951 0.009 . 2 . . . . . 16 P HD3 . 27458 1 176 . 1 1 16 16 PRO C C 13 177.251 0.000 . 1 . . . . . 16 P C . 27458 1 177 . 1 1 16 16 PRO CA C 13 61.441 0.050 . 1 . . . . . 16 P CA . 27458 1 178 . 1 1 16 16 PRO CB C 13 31.550 0.097 . 1 . . . . . 16 P CB . 27458 1 179 . 1 1 16 16 PRO CG C 13 27.563 0.046 . 1 . . . . . 16 P CG . 27458 1 180 . 1 1 16 16 PRO CD C 13 50.559 0.053 . 1 . . . . . 16 P CD . 27458 1 181 . 1 1 17 17 LEU H H 1 9.016 0.004 . 1 . . . . . 17 L H . 27458 1 182 . 1 1 17 17 LEU HA H 1 4.691 0.003 . 1 . . . . . 17 L HA . 27458 1 183 . 1 1 17 17 LEU HB2 H 1 1.004 0.006 . 2 . . . . . 17 L HB2 . 27458 1 184 . 1 1 17 17 LEU HB3 H 1 1.492 0.006 . 2 . . . . . 17 L HB3 . 27458 1 185 . 1 1 17 17 LEU HG H 1 1.221 0.004 . 1 . . . . . 17 L HG . 27458 1 186 . 1 1 17 17 LEU HD11 H 1 0.615 0.002 . 2 . . . . . 17 L MD1 . 27458 1 187 . 1 1 17 17 LEU HD12 H 1 0.615 0.002 . 2 . . . . . 17 L MD1 . 27458 1 188 . 1 1 17 17 LEU HD13 H 1 0.615 0.002 . 2 . . . . . 17 L MD1 . 27458 1 189 . 1 1 17 17 LEU C C 13 175.953 0.000 . 1 . . . . . 17 L C . 27458 1 190 . 1 1 17 17 LEU CA C 13 53.613 0.041 . 1 . . . . . 17 L CA . 27458 1 191 . 1 1 17 17 LEU CB C 13 44.812 0.048 . 1 . . . . . 17 L CB . 27458 1 192 . 1 1 17 17 LEU CG C 13 26.277 0.088 . 1 . . . . . 17 L CG . 27458 1 193 . 1 1 17 17 LEU CD1 C 13 23.438 0.106 . 2 . . . . . 17 L CD1 . 27458 1 194 . 1 1 17 17 LEU CD2 C 13 23.899 0.055 . 2 . . . . . 17 L CD2 . 27458 1 195 . 1 1 17 17 LEU N N 15 126.988 0.113 . 1 . . . . . 17 L N . 27458 1 196 . 1 1 18 18 ALA H H 1 8.296 0.007 . 1 . . . . . 18 A H . 27458 1 197 . 1 1 18 18 ALA HA H 1 4.425 0.005 . 1 . . . . . 18 A HA . 27458 1 198 . 1 1 18 18 ALA HB1 H 1 1.255 0.003 . 1 . . . . . 18 A MB . 27458 1 199 . 1 1 18 18 ALA HB2 H 1 1.255 0.003 . 1 . . . . . 18 A MB . 27458 1 200 . 1 1 18 18 ALA HB3 H 1 1.255 0.003 . 1 . . . . . 18 A MB . 27458 1 201 . 1 1 18 18 ALA C C 13 177.236 0.000 . 1 . . . . . 18 A C . 27458 1 202 . 1 1 18 18 ALA CA C 13 52.350 0.033 . 1 . . . . . 18 A CA . 27458 1 203 . 1 1 18 18 ALA CB C 13 18.368 0.013 . 1 . . . . . 18 A CB . 27458 1 204 . 1 1 18 18 ALA N N 15 125.409 0.107 . 1 . . . . . 18 A N . 27458 1 205 . 1 1 19 19 VAL H H 1 7.985 0.009 . 1 . . . . . 19 V H . 27458 1 206 . 1 1 19 19 VAL HA H 1 4.169 0.006 . 1 . . . . . 19 V HA . 27458 1 207 . 1 1 19 19 VAL HB H 1 1.124 0.006 . 1 . . . . . 19 V HB . 27458 1 208 . 1 1 19 19 VAL HG11 H 1 1.118 0.006 . 2 . . . . . 19 V MG1 . 27458 1 209 . 1 1 19 19 VAL HG12 H 1 1.118 0.006 . 2 . . . . . 19 V MG1 . 27458 1 210 . 1 1 19 19 VAL HG13 H 1 1.118 0.006 . 2 . . . . . 19 V MG1 . 27458 1 211 . 1 1 19 19 VAL HG21 H 1 0.960 0.004 . 2 . . . . . 19 V MG2 . 27458 1 212 . 1 1 19 19 VAL HG22 H 1 0.960 0.004 . 2 . . . . . 19 V MG2 . 27458 1 213 . 1 1 19 19 VAL HG23 H 1 0.960 0.004 . 2 . . . . . 19 V MG2 . 27458 1 214 . 1 1 19 19 VAL C C 13 175.172 0.000 . 1 . . . . . 19 V C . 27458 1 215 . 1 1 19 19 VAL CA C 13 61.192 0.075 . 1 . . . . . 19 V CA . 27458 1 216 . 1 1 19 19 VAL CB C 13 35.756 0.040 . 1 . . . . . 19 V CB . 27458 1 217 . 1 1 19 19 VAL CG1 C 13 21.674 0.104 . 2 . . . . . 19 V CG1 . 27458 1 218 . 1 1 19 19 VAL CG2 C 13 21.605 0.076 . 2 . . . . . 19 V CG2 . 27458 1 219 . 1 1 19 19 VAL N N 15 122.226 0.043 . 1 . . . . . 19 V N . 27458 1 220 . 1 1 20 20 ALA H H 1 8.852 0.006 . 1 . . . . . 20 A H . 27458 1 221 . 1 1 20 20 ALA HA H 1 4.085 0.004 . 1 . . . . . 20 A HA . 27458 1 222 . 1 1 20 20 ALA HB1 H 1 1.520 0.002 . 1 . . . . . 20 A MB . 27458 1 223 . 1 1 20 20 ALA HB2 H 1 1.520 0.002 . 1 . . . . . 20 A MB . 27458 1 224 . 1 1 20 20 ALA HB3 H 1 1.520 0.002 . 1 . . . . . 20 A MB . 27458 1 225 . 1 1 20 20 ALA C C 13 177.894 0.000 . 1 . . . . . 20 A C . 27458 1 226 . 1 1 20 20 ALA CA C 13 54.287 0.056 . 1 . . . . . 20 A CA . 27458 1 227 . 1 1 20 20 ALA CB C 13 18.564 0.039 . 1 . . . . . 20 A CB . 27458 1 228 . 1 1 20 20 ALA N N 15 131.409 0.150 . 1 . . . . . 20 A N . 27458 1 229 . 1 1 21 21 GLY H H 1 8.621 0.010 . 1 . . . . . 21 G H . 27458 1 230 . 1 1 21 21 GLY C C 13 175.237 0.000 . 1 . . . . . 21 G C . 27458 1 231 . 1 1 21 21 GLY CA C 13 45.349 0.009 . 1 . . . . . 21 G CA . 27458 1 232 . 1 1 21 21 GLY N N 15 108.635 0.152 . 1 . . . . . 21 G N . 27458 1 233 . 1 1 22 22 HIS H H 1 8.179 0.006 . 1 . . . . . 22 H H . 27458 1 234 . 1 1 22 22 HIS HA H 1 4.496 0.004 . 1 . . . . . 22 H HA . 27458 1 235 . 1 1 22 22 HIS HB2 H 1 3.594 0.003 . 2 . . . . . 22 H HB2 . 27458 1 236 . 1 1 22 22 HIS HB3 H 1 3.651 0.004 . 2 . . . . . 22 H HB3 . 27458 1 237 . 1 1 22 22 HIS CA C 13 56.200 0.075 . 1 . . . . . 22 H CA . 27458 1 238 . 1 1 22 22 HIS CB C 13 28.291 0.058 . 1 . . . . . 22 H CB . 27458 1 239 . 1 1 22 22 HIS N N 15 119.346 0.020 . 1 . . . . . 22 H N . 27458 1 240 . 1 1 23 23 HIS HA H 1 4.484 0.002 . 1 . . . . . 23 H HA . 27458 1 241 . 1 1 23 23 HIS HB2 H 1 3.072 0.003 . 2 . . . . . 23 H HB2 . 27458 1 242 . 1 1 23 23 HIS HB3 H 1 3.215 0.002 . 2 . . . . . 23 H HB3 . 27458 1 243 . 1 1 23 23 HIS C C 13 175.074 0.000 . 1 . . . . . 23 H C . 27458 1 244 . 1 1 23 23 HIS CA C 13 57.837 0.080 . 1 . . . . . 23 H CA . 27458 1 245 . 1 1 23 23 HIS CB C 13 30.193 0.017 . 1 . . . . . 23 H CB . 27458 1 246 . 1 1 24 24 GLN H H 1 8.225 0.003 . 1 . . . . . 24 Q H . 27458 1 247 . 1 1 24 24 GLN HA H 1 4.770 0.003 . 1 . . . . . 24 Q HA . 27458 1 248 . 1 1 24 24 GLN HB2 H 1 1.830 0.003 . 2 . . . . . 24 Q HB2 . 27458 1 249 . 1 1 24 24 GLN HB3 H 1 2.208 0.005 . 2 . . . . . 24 Q HB3 . 27458 1 250 . 1 1 24 24 GLN HG2 H 1 2.359 0.001 . 2 . . . . . 24 Q HG2 . 27458 1 251 . 1 1 24 24 GLN HE21 H 1 7.663 0.000 . 2 . . . . . 24 Q HE21 . 27458 1 252 . 1 1 24 24 GLN HE22 H 1 6.934 0.000 . 2 . . . . . 24 Q HE22 . 27458 1 253 . 1 1 24 24 GLN CA C 13 53.001 0.023 . 1 . . . . . 24 Q CA . 27458 1 254 . 1 1 24 24 GLN CB C 13 29.340 0.031 . 1 . . . . . 24 Q CB . 27458 1 255 . 1 1 24 24 GLN CG C 13 33.516 0.026 . 1 . . . . . 24 Q CG . 27458 1 256 . 1 1 24 24 GLN N N 15 118.077 0.030 . 1 . . . . . 24 Q N . 27458 1 257 . 1 1 24 24 GLN NE2 N 15 112.869 0.002 . 1 . . . . . 24 Q NE2 . 27458 1 258 . 1 1 25 25 PRO HA H 1 4.268 0.006 . 1 . . . . . 25 P HA . 27458 1 259 . 1 1 25 25 PRO HB2 H 1 1.580 0.003 . 2 . . . . . 25 P HB2 . 27458 1 260 . 1 1 25 25 PRO HG2 H 1 1.888 0.005 . 2 . . . . . 25 P HG2 . 27458 1 261 . 1 1 25 25 PRO HG3 H 1 2.048 0.010 . 2 . . . . . 25 P HG3 . 27458 1 262 . 1 1 25 25 PRO HD2 H 1 3.581 0.005 . 2 . . . . . 25 P HD2 . 27458 1 263 . 1 1 25 25 PRO HD3 H 1 3.772 0.008 . 2 . . . . . 25 P HD3 . 27458 1 264 . 1 1 25 25 PRO C C 13 175.833 0.000 . 1 . . . . . 25 P C . 27458 1 265 . 1 1 25 25 PRO CA C 13 63.731 0.069 . 1 . . . . . 25 P CA . 27458 1 266 . 1 1 25 25 PRO CB C 13 32.143 0.043 . 1 . . . . . 25 P CB . 27458 1 267 . 1 1 25 25 PRO CG C 13 27.765 0.056 . 1 . . . . . 25 P CG . 27458 1 268 . 1 1 25 25 PRO CD C 13 50.408 0.058 . 1 . . . . . 25 P CD . 27458 1 269 . 1 1 26 26 ALA H H 1 8.975 0.006 . 1 . . . . . 26 A H . 27458 1 270 . 1 1 26 26 ALA HA H 1 4.858 0.002 . 1 . . . . . 26 A HA . 27458 1 271 . 1 1 26 26 ALA HB1 H 1 1.124 0.001 . 1 . . . . . 26 A MB . 27458 1 272 . 1 1 26 26 ALA HB2 H 1 1.124 0.001 . 1 . . . . . 26 A MB . 27458 1 273 . 1 1 26 26 ALA HB3 H 1 1.124 0.001 . 1 . . . . . 26 A MB . 27458 1 274 . 1 1 26 26 ALA CA C 13 49.234 0.021 . 1 . . . . . 26 A CA . 27458 1 275 . 1 1 26 26 ALA CB C 13 19.960 0.019 . 1 . . . . . 26 A CB . 27458 1 276 . 1 1 26 26 ALA N N 15 129.367 0.134 . 1 . . . . . 26 A N . 27458 1 277 . 1 1 27 27 PRO HA H 1 4.411 0.009 . 1 . . . . . 27 P HA . 27458 1 278 . 1 1 27 27 PRO HB2 H 1 1.997 0.006 . 2 . . . . . 27 P HB2 . 27458 1 279 . 1 1 27 27 PRO HB3 H 1 2.132 0.007 . 2 . . . . . 27 P HB3 . 27458 1 280 . 1 1 27 27 PRO HG2 H 1 2.009 0.001 . 2 . . . . . 27 P HG2 . 27458 1 281 . 1 1 27 27 PRO HG3 H 1 2.591 0.004 . 2 . . . . . 27 P HG3 . 27458 1 282 . 1 1 27 27 PRO HD2 H 1 3.649 0.015 . 2 . . . . . 27 P HD2 . 27458 1 283 . 1 1 27 27 PRO HD3 H 1 3.936 0.007 . 2 . . . . . 27 P HD3 . 27458 1 284 . 1 1 27 27 PRO C C 13 175.243 0.000 . 1 . . . . . 27 P C . 27458 1 285 . 1 1 27 27 PRO CA C 13 61.761 0.050 . 1 . . . . . 27 P CA . 27458 1 286 . 1 1 27 27 PRO CB C 13 31.099 0.287 . 1 . . . . . 27 P CB . 27458 1 287 . 1 1 27 27 PRO CG C 13 27.843 0.051 . 1 . . . . . 27 P CG . 27458 1 288 . 1 1 27 27 PRO CD C 13 50.497 0.039 . 1 . . . . . 27 P CD . 27458 1 289 . 1 1 28 28 PHE H H 1 8.990 0.003 . 1 . . . . . 28 F H . 27458 1 290 . 1 1 28 28 PHE HA H 1 4.752 0.003 . 1 . . . . . 28 F HA . 27458 1 291 . 1 1 28 28 PHE HB2 H 1 2.454 0.003 . 2 . . . . . 28 F HB2 . 27458 1 292 . 1 1 28 28 PHE HB3 H 1 3.410 0.005 . 2 . . . . . 28 F HB3 . 27458 1 293 . 1 1 28 28 PHE C C 13 175.988 0.000 . 1 . . . . . 28 F C . 27458 1 294 . 1 1 28 28 PHE CA C 13 58.616 0.050 . 1 . . . . . 28 F CA . 27458 1 295 . 1 1 28 28 PHE CB C 13 40.290 0.030 . 1 . . . . . 28 F CB . 27458 1 296 . 1 1 28 28 PHE N N 15 124.050 0.075 . 1 . . . . . 28 F N . 27458 1 297 . 1 1 29 29 TYR H H 1 8.959 0.007 . 1 . . . . . 29 Y H . 27458 1 298 . 1 1 29 29 TYR HA H 1 4.498 0.003 . 1 . . . . . 29 Y HA . 27458 1 299 . 1 1 29 29 TYR HB2 H 1 2.312 0.003 . 2 . . . . . 29 Y HB2 . 27458 1 300 . 1 1 29 29 TYR HB3 H 1 2.922 0.004 . 2 . . . . . 29 Y HB3 . 27458 1 301 . 1 1 29 29 TYR C C 13 172.778 0.000 . 1 . . . . . 29 Y C . 27458 1 302 . 1 1 29 29 TYR CA C 13 59.733 0.049 . 1 . . . . . 29 Y CA . 27458 1 303 . 1 1 29 29 TYR CB C 13 41.221 0.078 . 1 . . . . . 29 Y CB . 27458 1 304 . 1 1 29 29 TYR N N 15 118.471 0.034 . 1 . . . . . 29 Y N . 27458 1 305 . 1 1 30 30 LEU H H 1 7.675 0.007 . 1 . . . . . 30 L H . 27458 1 306 . 1 1 30 30 LEU HA H 1 5.208 0.011 . 1 . . . . . 30 L HA . 27458 1 307 . 1 1 30 30 LEU HB2 H 1 1.337 0.006 . 2 . . . . . 30 L HB2 . 27458 1 308 . 1 1 30 30 LEU HB3 H 1 1.618 0.043 . 2 . . . . . 30 L HB3 . 27458 1 309 . 1 1 30 30 LEU HG H 1 1.547 0.012 . 1 . . . . . 30 L HG . 27458 1 310 . 1 1 30 30 LEU HD11 H 1 1.082 0.003 . 2 . . . . . 30 L MD1 . 27458 1 311 . 1 1 30 30 LEU HD12 H 1 1.082 0.003 . 2 . . . . . 30 L MD1 . 27458 1 312 . 1 1 30 30 LEU HD13 H 1 1.082 0.003 . 2 . . . . . 30 L MD1 . 27458 1 313 . 1 1 30 30 LEU HD21 H 1 0.688 0.004 . 2 . . . . . 30 L MD2 . 27458 1 314 . 1 1 30 30 LEU HD22 H 1 0.688 0.004 . 2 . . . . . 30 L MD2 . 27458 1 315 . 1 1 30 30 LEU HD23 H 1 0.688 0.004 . 2 . . . . . 30 L MD2 . 27458 1 316 . 1 1 30 30 LEU C C 13 177.400 0.000 . 1 . . . . . 30 L C . 27458 1 317 . 1 1 30 30 LEU CA C 13 53.531 0.089 . 1 . . . . . 30 L CA . 27458 1 318 . 1 1 30 30 LEU CB C 13 44.395 0.041 . 1 . . . . . 30 L CB . 27458 1 319 . 1 1 30 30 LEU CG C 13 27.001 0.078 . 1 . . . . . 30 L CG . 27458 1 320 . 1 1 30 30 LEU CD1 C 13 25.503 0.048 . 1 . . . . . 30 L CD1 . 27458 1 321 . 1 1 30 30 LEU CD2 C 13 25.646 0.066 . 1 . . . . . 30 L CD2 . 27458 1 322 . 1 1 30 30 LEU N N 15 110.863 0.106 . 1 . . . . . 30 L N . 27458 1 323 . 1 1 31 31 THR H H 1 8.275 0.005 . 1 . . . . . 31 T H . 27458 1 324 . 1 1 31 31 THR HA H 1 5.080 0.006 . 1 . . . . . 31 T HA . 27458 1 325 . 1 1 31 31 THR HB H 1 4.323 0.003 . 1 . . . . . 31 T HB . 27458 1 326 . 1 1 31 31 THR HG21 H 1 0.959 0.005 . 1 . . . . . 31 T MG . 27458 1 327 . 1 1 31 31 THR HG22 H 1 0.959 0.005 . 1 . . . . . 31 T MG . 27458 1 328 . 1 1 31 31 THR HG23 H 1 0.959 0.005 . 1 . . . . . 31 T MG . 27458 1 329 . 1 1 31 31 THR C C 13 175.654 0.000 . 1 . . . . . 31 T C . 27458 1 330 . 1 1 31 31 THR CA C 13 59.423 0.042 . 1 . . . . . 31 T CA . 27458 1 331 . 1 1 31 31 THR CB C 13 70.790 0.053 . 1 . . . . . 31 T CB . 27458 1 332 . 1 1 31 31 THR CG2 C 13 22.600 0.129 . 1 . . . . . 31 T CG . 27458 1 333 . 1 1 31 31 THR N N 15 111.328 0.082 . 1 . . . . . 31 T N . 27458 1 334 . 1 1 32 32 ALA H H 1 8.713 0.012 . 1 . . . . . 32 A H . 27458 1 335 . 1 1 32 32 ALA HA H 1 4.060 0.004 . 1 . . . . . 32 A HA . 27458 1 336 . 1 1 32 32 ALA HB1 H 1 1.302 0.002 . 1 . . . . . 32 A MB . 27458 1 337 . 1 1 32 32 ALA HB2 H 1 1.302 0.002 . 1 . . . . . 32 A MB . 27458 1 338 . 1 1 32 32 ALA HB3 H 1 1.302 0.002 . 1 . . . . . 32 A MB . 27458 1 339 . 1 1 32 32 ALA C C 13 176.797 0.000 . 1 . . . . . 32 A C . 27458 1 340 . 1 1 32 32 ALA CA C 13 54.515 0.043 . 1 . . . . . 32 A CA . 27458 1 341 . 1 1 32 32 ALA CB C 13 18.700 0.033 . 1 . . . . . 32 A CB . 27458 1 342 . 1 1 32 32 ALA N N 15 120.188 0.042 . 1 . . . . . 32 A N . 27458 1 343 . 1 1 33 33 ASP H H 1 8.638 0.004 . 1 . . . . . 33 D H . 27458 1 344 . 1 1 33 33 ASP HA H 1 4.426 0.002 . 1 . . . . . 33 D HA . 27458 1 345 . 1 1 33 33 ASP HB2 H 1 2.531 0.010 . 2 . . . . . 33 D HB2 . 27458 1 346 . 1 1 33 33 ASP HB3 H 1 2.595 0.008 . 2 . . . . . 33 D HB3 . 27458 1 347 . 1 1 33 33 ASP C C 13 176.673 0.000 . 1 . . . . . 33 D C . 27458 1 348 . 1 1 33 33 ASP CA C 13 53.187 0.073 . 1 . . . . . 33 D CA . 27458 1 349 . 1 1 33 33 ASP CB C 13 40.610 0.067 . 1 . . . . . 33 D CB . 27458 1 350 . 1 1 33 33 ASP N N 15 111.927 0.092 . 1 . . . . . 33 D N . 27458 1 351 . 1 1 34 34 MET H H 1 7.485 0.005 . 1 . . . . . 34 M H . 27458 1 352 . 1 1 34 34 MET HA H 1 3.651 0.004 . 1 . . . . . 34 M HA . 27458 1 353 . 1 1 34 34 MET HB2 H 1 2.089 0.006 . 2 . . . . . 34 M HB2 . 27458 1 354 . 1 1 34 34 MET HB3 H 1 2.876 0.005 . 2 . . . . . 34 M HB3 . 27458 1 355 . 1 1 34 34 MET HG2 H 1 1.395 0.011 . 2 . . . . . 34 M HG2 . 27458 1 356 . 1 1 34 34 MET HG3 H 1 1.909 0.005 . 2 . . . . . 34 M HG3 . 27458 1 357 . 1 1 34 34 MET C C 13 176.265 0.000 . 1 . . . . . 34 M C . 27458 1 358 . 1 1 34 34 MET CA C 13 57.975 0.038 . 1 . . . . . 34 M CA . 27458 1 359 . 1 1 34 34 MET CB C 13 33.266 0.129 . 1 . . . . . 34 M CB . 27458 1 360 . 1 1 34 34 MET CG C 13 33.404 0.116 . 1 . . . . . 34 M CG . 27458 1 361 . 1 1 34 34 MET N N 15 121.358 0.052 . 1 . . . . . 34 M N . 27458 1 362 . 1 1 35 35 PHE H H 1 8.492 0.003 . 1 . . . . . 35 F H . 27458 1 363 . 1 1 35 35 PHE HA H 1 4.249 0.002 . 1 . . . . . 35 F HA . 27458 1 364 . 1 1 35 35 PHE HB2 H 1 3.059 0.045 . 2 . . . . . 35 F HB2 . 27458 1 365 . 1 1 35 35 PHE HB3 H 1 3.203 0.005 . 2 . . . . . 35 F HB3 . 27458 1 366 . 1 1 35 35 PHE C C 13 176.167 0.000 . 1 . . . . . 35 F C . 27458 1 367 . 1 1 35 35 PHE CA C 13 57.932 0.036 . 1 . . . . . 35 F CA . 27458 1 368 . 1 1 35 35 PHE CB C 13 36.270 0.043 . 1 . . . . . 35 F CB . 27458 1 369 . 1 1 35 35 PHE N N 15 113.867 0.077 . 1 . . . . . 35 F N . 27458 1 370 . 1 1 36 36 GLY H H 1 8.087 0.003 . 1 . . . . . 36 G H . 27458 1 371 . 1 1 36 36 GLY HA2 H 1 3.738 0.005 . 2 . . . . . 36 G HA2 . 27458 1 372 . 1 1 36 36 GLY HA3 H 1 4.203 0.021 . 2 . . . . . 36 G HA3 . 27458 1 373 . 1 1 36 36 GLY C C 13 174.467 0.000 . 1 . . . . . 36 G C . 27458 1 374 . 1 1 36 36 GLY CA C 13 45.389 0.059 . 1 . . . . . 36 G CA . 27458 1 375 . 1 1 36 36 GLY N N 15 106.001 0.177 . 1 . . . . . 36 G N . 27458 1 376 . 1 1 37 37 GLY H H 1 8.068 0.006 . 1 . . . . . 37 G H . 27458 1 377 . 1 1 37 37 GLY HA2 H 1 4.097 0.004 . 2 . . . . . 37 G HA2 . 27458 1 378 . 1 1 37 37 GLY HA3 H 1 4.360 0.001 . 2 . . . . . 37 G HA3 . 27458 1 379 . 1 1 37 37 GLY C C 13 173.269 0.000 . 1 . . . . . 37 G C . 27458 1 380 . 1 1 37 37 GLY CA C 13 44.825 0.064 . 1 . . . . . 37 G CA . 27458 1 381 . 1 1 37 37 GLY N N 15 112.615 0.080 . 1 . . . . . 37 G N . 27458 1 382 . 1 1 38 38 LEU H H 1 8.889 0.003 . 1 . . . . . 38 L H . 27458 1 383 . 1 1 38 38 LEU HA H 1 5.051 0.003 . 1 . . . . . 38 L HA . 27458 1 384 . 1 1 38 38 LEU HB2 H 1 1.203 0.005 . 2 . . . . . 38 L HB2 . 27458 1 385 . 1 1 38 38 LEU HB3 H 1 2.098 0.005 . 2 . . . . . 38 L HB3 . 27458 1 386 . 1 1 38 38 LEU HG H 1 1.056 0.004 . 1 . . . . . 38 L HG . 27458 1 387 . 1 1 38 38 LEU HD11 H 1 2.246 0.003 . 2 . . . . . 38 L MD1 . 27458 1 388 . 1 1 38 38 LEU HD12 H 1 2.246 0.003 . 2 . . . . . 38 L MD1 . 27458 1 389 . 1 1 38 38 LEU HD13 H 1 2.246 0.003 . 2 . . . . . 38 L MD1 . 27458 1 390 . 1 1 38 38 LEU HD21 H 1 1.064 0.003 . 2 . . . . . 38 L MD2 . 27458 1 391 . 1 1 38 38 LEU HD22 H 1 1.064 0.003 . 2 . . . . . 38 L MD2 . 27458 1 392 . 1 1 38 38 LEU HD23 H 1 1.064 0.003 . 2 . . . . . 38 L MD2 . 27458 1 393 . 1 1 38 38 LEU CA C 13 51.205 0.033 . 1 . . . . . 38 L CA . 27458 1 394 . 1 1 38 38 LEU CB C 13 46.351 0.044 . 1 . . . . . 38 L CB . 27458 1 395 . 1 1 38 38 LEU CG C 13 27.910 0.061 . 1 . . . . . 38 L CG . 27458 1 396 . 1 1 38 38 LEU CD1 C 13 25.910 0.049 . 2 . . . . . 38 L CD1 . 27458 1 397 . 1 1 38 38 LEU CD2 C 13 24.948 0.058 . 2 . . . . . 38 L CD2 . 27458 1 398 . 1 1 38 38 LEU N N 15 126.810 0.098 . 1 . . . . . 38 L N . 27458 1 399 . 1 1 39 39 PRO HA H 1 4.582 0.006 . 1 . . . . . 39 P HA . 27458 1 400 . 1 1 39 39 PRO HB2 H 1 1.926 0.006 . 2 . . . . . 39 P HB2 . 27458 1 401 . 1 1 39 39 PRO HB3 H 1 2.191 0.008 . 2 . . . . . 39 P HB3 . 27458 1 402 . 1 1 39 39 PRO HG2 H 1 1.555 0.007 . 2 . . . . . 39 P HG2 . 27458 1 403 . 1 1 39 39 PRO HG3 H 1 2.168 0.010 . 2 . . . . . 39 P HG3 . 27458 1 404 . 1 1 39 39 PRO HD2 H 1 3.412 0.004 . 2 . . . . . 39 P HD2 . 27458 1 405 . 1 1 39 39 PRO HD3 H 1 3.924 0.003 . 2 . . . . . 39 P HD3 . 27458 1 406 . 1 1 39 39 PRO C C 13 175.185 0.000 . 1 . . . . . 39 P C . 27458 1 407 . 1 1 39 39 PRO CA C 13 62.846 0.068 . 1 . . . . . 39 P CA . 27458 1 408 . 1 1 39 39 PRO CB C 13 32.332 0.050 . 1 . . . . . 39 P CB . 27458 1 409 . 1 1 39 39 PRO CG C 13 26.354 0.044 . 1 . . . . . 39 P CG . 27458 1 410 . 1 1 39 39 PRO CD C 13 49.844 0.084 . 1 . . . . . 39 P CD . 27458 1 411 . 1 1 40 40 VAL H H 1 6.568 0.006 . 1 . . . . . 40 V H . 27458 1 412 . 1 1 40 40 VAL HA H 1 5.129 0.002 . 1 . . . . . 40 V HA . 27458 1 413 . 1 1 40 40 VAL HB H 1 2.108 0.003 . 1 . . . . . 40 V HB . 27458 1 414 . 1 1 40 40 VAL HG11 H 1 0.655 0.003 . 2 . . . . . 40 V MG1 . 27458 1 415 . 1 1 40 40 VAL HG12 H 1 0.655 0.003 . 2 . . . . . 40 V MG1 . 27458 1 416 . 1 1 40 40 VAL HG13 H 1 0.655 0.003 . 2 . . . . . 40 V MG1 . 27458 1 417 . 1 1 40 40 VAL HG21 H 1 0.335 0.001 . 2 . . . . . 40 V MG2 . 27458 1 418 . 1 1 40 40 VAL HG22 H 1 0.335 0.001 . 2 . . . . . 40 V MG2 . 27458 1 419 . 1 1 40 40 VAL HG23 H 1 0.335 0.001 . 2 . . . . . 40 V MG2 . 27458 1 420 . 1 1 40 40 VAL C C 13 172.898 0.000 . 1 . . . . . 40 V C . 27458 1 421 . 1 1 40 40 VAL CA C 13 57.469 0.068 . 1 . . . . . 40 V CA . 27458 1 422 . 1 1 40 40 VAL CB C 13 35.477 0.038 . 1 . . . . . 40 V CB . 27458 1 423 . 1 1 40 40 VAL CG1 C 13 22.834 0.011 . 2 . . . . . 40 V CG1 . 27458 1 424 . 1 1 40 40 VAL CG2 C 13 16.703 0.013 . 2 . . . . . 40 V CG2 . 27458 1 425 . 1 1 40 40 VAL N N 15 107.067 0.142 . 1 . . . . . 40 V N . 27458 1 426 . 1 1 41 41 GLN H H 1 8.249 0.007 . 1 . . . . . 41 Q H . 27458 1 427 . 1 1 41 41 GLN HA H 1 4.501 0.003 . 1 . . . . . 41 Q HA . 27458 1 428 . 1 1 41 41 GLN HB2 H 1 2.116 0.006 . 2 . . . . . 41 Q HB2 . 27458 1 429 . 1 1 41 41 GLN HB3 H 1 2.629 0.005 . 2 . . . . . 41 Q HB3 . 27458 1 430 . 1 1 41 41 GLN HG2 H 1 1.910 0.006 . 2 . . . . . 41 Q HG2 . 27458 1 431 . 1 1 41 41 GLN HG3 H 1 2.743 0.006 . 2 . . . . . 41 Q HG3 . 27458 1 432 . 1 1 41 41 GLN HE21 H 1 7.534 0.000 . 2 . . . . . 41 Q HE21 . 27458 1 433 . 1 1 41 41 GLN HE22 H 1 6.657 0.000 . 2 . . . . . 41 Q HE22 . 27458 1 434 . 1 1 41 41 GLN C C 13 174.030 0.000 . 1 . . . . . 41 Q C . 27458 1 435 . 1 1 41 41 GLN CA C 13 54.818 0.123 . 1 . . . . . 41 Q CA . 27458 1 436 . 1 1 41 41 GLN CB C 13 33.672 0.073 . 1 . . . . . 41 Q CB . 27458 1 437 . 1 1 41 41 GLN CG C 13 35.581 0.077 . 1 . . . . . 41 Q CG . 27458 1 438 . 1 1 41 41 GLN N N 15 111.187 0.115 . 1 . . . . . 41 Q N . 27458 1 439 . 1 1 41 41 GLN NE2 N 15 110.123 0.001 . 1 . . . . . 41 Q NE2 . 27458 1 440 . 1 1 42 42 LEU H H 1 9.223 0.008 . 1 . . . . . 42 L H . 27458 1 441 . 1 1 42 42 LEU HA H 1 5.474 0.005 . 1 . . . . . 42 L HA . 27458 1 442 . 1 1 42 42 LEU HB2 H 1 1.288 0.007 . 2 . . . . . 42 L HB2 . 27458 1 443 . 1 1 42 42 LEU HB3 H 1 1.500 0.007 . 2 . . . . . 42 L HB3 . 27458 1 444 . 1 1 42 42 LEU HG H 1 1.395 0.003 . 1 . . . . . 42 L HG . 27458 1 445 . 1 1 42 42 LEU HD11 H 1 0.254 0.003 . 2 . . . . . 42 L MD1 . 27458 1 446 . 1 1 42 42 LEU HD12 H 1 0.254 0.003 . 2 . . . . . 42 L MD1 . 27458 1 447 . 1 1 42 42 LEU HD13 H 1 0.254 0.003 . 2 . . . . . 42 L MD1 . 27458 1 448 . 1 1 42 42 LEU HD21 H 1 0.330 0.013 . 2 . . . . . 42 L MD2 . 27458 1 449 . 1 1 42 42 LEU HD22 H 1 0.330 0.013 . 2 . . . . . 42 L MD2 . 27458 1 450 . 1 1 42 42 LEU HD23 H 1 0.330 0.013 . 2 . . . . . 42 L MD2 . 27458 1 451 . 1 1 42 42 LEU C C 13 173.566 0.000 . 1 . . . . . 42 L C . 27458 1 452 . 1 1 42 42 LEU CA C 13 56.069 0.067 . 1 . . . . . 42 L CA . 27458 1 453 . 1 1 42 42 LEU CB C 13 47.510 0.039 . 1 . . . . . 42 L CB . 27458 1 454 . 1 1 42 42 LEU CG C 13 28.284 0.069 . 1 . . . . . 42 L CG . 27458 1 455 . 1 1 42 42 LEU CD1 C 13 26.563 0.056 . 2 . . . . . 42 L CD1 . 27458 1 456 . 1 1 42 42 LEU CD2 C 13 25.806 0.052 . 2 . . . . . 42 L CD2 . 27458 1 457 . 1 1 42 42 LEU N N 15 124.336 0.085 . 1 . . . . . 42 L N . 27458 1 458 . 1 1 43 43 ALA H H 1 8.997 0.007 . 1 . . . . . 43 A H . 27458 1 459 . 1 1 43 43 ALA HA H 1 5.201 0.002 . 1 . . . . . 43 A HA . 27458 1 460 . 1 1 43 43 ALA HB1 H 1 0.193 0.002 . 1 . . . . . 43 A MB . 27458 1 461 . 1 1 43 43 ALA HB2 H 1 0.193 0.002 . 1 . . . . . 43 A MB . 27458 1 462 . 1 1 43 43 ALA HB3 H 1 0.193 0.002 . 1 . . . . . 43 A MB . 27458 1 463 . 1 1 43 43 ALA C C 13 176.430 0.000 . 1 . . . . . 43 A C . 27458 1 464 . 1 1 43 43 ALA CA C 13 50.675 0.036 . 1 . . . . . 43 A CA . 27458 1 465 . 1 1 43 43 ALA CB C 13 21.624 0.027 . 1 . . . . . 43 A CB . 27458 1 466 . 1 1 43 43 ALA N N 15 132.341 0.177 . 1 . . . . . 43 A N . 27458 1 467 . 1 1 44 44 GLY H H 1 8.446 0.005 . 1 . . . . . 44 G H . 27458 1 468 . 1 1 44 44 GLY HA2 H 1 4.194 0.004 . 2 . . . . . 44 G HA2 . 27458 1 469 . 1 1 44 44 GLY HA3 H 1 4.986 0.002 . 2 . . . . . 44 G HA3 . 27458 1 470 . 1 1 44 44 GLY C C 13 171.994 0.000 . 1 . . . . . 44 G C . 27458 1 471 . 1 1 44 44 GLY CA C 13 45.816 0.064 . 1 . . . . . 44 G CA . 27458 1 472 . 1 1 44 44 GLY N N 15 105.676 0.170 . 1 . . . . . 44 G N . 27458 1 473 . 1 1 45 45 GLY H H 1 7.311 0.004 . 1 . . . . . 45 G H . 27458 1 474 . 1 1 45 45 GLY HA2 H 1 4.082 0.013 . 2 . . . . . 45 G HA2 . 27458 1 475 . 1 1 45 45 GLY C C 13 181.473 0.000 . 1 . . . . . 45 G C . 27458 1 476 . 1 1 45 45 GLY CA C 13 45.674 0.019 . 1 . . . . . 45 G CA . 27458 1 477 . 1 1 45 45 GLY N N 15 104.032 0.153 . 1 . . . . . 45 G N . 27458 1 478 . 1 1 46 46 GLU H H 1 8.252 0.006 . 1 . . . . . 46 E H . 27458 1 479 . 1 1 46 46 GLU HA H 1 3.957 0.004 . 1 . . . . . 46 E HA . 27458 1 480 . 1 1 46 46 GLU HB2 H 1 1.296 0.008 . 2 . . . . . 46 E HB2 . 27458 1 481 . 1 1 46 46 GLU HG2 H 1 1.815 0.008 . 2 . . . . . 46 E HG2 . 27458 1 482 . 1 1 46 46 GLU HG3 H 1 1.941 0.005 . 2 . . . . . 46 E HG3 . 27458 1 483 . 1 1 46 46 GLU C C 13 180.133 0.000 . 1 . . . . . 46 E C . 27458 1 484 . 1 1 46 46 GLU CA C 13 56.078 0.090 . 1 . . . . . 46 E CA . 27458 1 485 . 1 1 46 46 GLU CB C 13 29.741 0.060 . 1 . . . . . 46 E CB . 27458 1 486 . 1 1 46 46 GLU CG C 13 36.358 0.081 . 1 . . . . . 46 E CG . 27458 1 487 . 1 1 46 46 GLU N N 15 124.710 0.072 . 1 . . . . . 46 E N . 27458 1 488 . 1 1 47 47 LEU H H 1 8.338 0.006 . 1 . . . . . 47 L H . 27458 1 489 . 1 1 47 47 LEU HA H 1 4.182 0.004 . 1 . . . . . 47 L HA . 27458 1 490 . 1 1 47 47 LEU HB2 H 1 1.161 0.005 . 2 . . . . . 47 L HB2 . 27458 1 491 . 1 1 47 47 LEU HB3 H 1 1.756 0.010 . 2 . . . . . 47 L HB3 . 27458 1 492 . 1 1 47 47 LEU HG H 1 1.183 0.305 . 1 . . . . . 47 L HG . 27458 1 493 . 1 1 47 47 LEU HD11 H 1 0.522 0.001 . 2 . . . . . 47 L MD1 . 27458 1 494 . 1 1 47 47 LEU HD12 H 1 0.522 0.001 . 2 . . . . . 47 L MD1 . 27458 1 495 . 1 1 47 47 LEU HD13 H 1 0.522 0.001 . 2 . . . . . 47 L MD1 . 27458 1 496 . 1 1 47 47 LEU HD21 H 1 0.768 0.002 . 2 . . . . . 47 L MD2 . 27458 1 497 . 1 1 47 47 LEU HD22 H 1 0.768 0.002 . 2 . . . . . 47 L MD2 . 27458 1 498 . 1 1 47 47 LEU HD23 H 1 0.768 0.002 . 2 . . . . . 47 L MD2 . 27458 1 499 . 1 1 47 47 LEU C C 13 179.262 0.000 . 1 . . . . . 47 L C . 27458 1 500 . 1 1 47 47 LEU CA C 13 55.980 0.109 . 1 . . . . . 47 L CA . 27458 1 501 . 1 1 47 47 LEU CB C 13 43.799 0.081 . 1 . . . . . 47 L CB . 27458 1 502 . 1 1 47 47 LEU CG C 13 26.138 0.093 . 1 . . . . . 47 L CG . 27458 1 503 . 1 1 47 47 LEU CD1 C 13 25.243 0.058 . 2 . . . . . 47 L CD1 . 27458 1 504 . 1 1 47 47 LEU CD2 C 13 21.508 0.022 . 2 . . . . . 47 L CD2 . 27458 1 505 . 1 1 47 47 LEU N N 15 120.650 0.045 . 1 . . . . . 47 L N . 27458 1 506 . 1 1 48 48 SER H H 1 8.452 0.032 . 1 . . . . . 48 S H . 27458 1 507 . 1 1 48 48 SER HA H 1 3.941 0.007 . 1 . . . . . 48 S HA . 27458 1 508 . 1 1 48 48 SER HB2 H 1 3.822 0.003 . 2 . . . . . 48 S HB2 . 27458 1 509 . 1 1 48 48 SER HB3 H 1 3.992 0.003 . 2 . . . . . 48 S HB3 . 27458 1 510 . 1 1 48 48 SER C C 13 177.071 0.000 . 1 . . . . . 48 S C . 27458 1 511 . 1 1 48 48 SER CA C 13 63.507 0.094 . 1 . . . . . 48 S CA . 27458 1 512 . 1 1 48 48 SER CB C 13 61.627 0.048 . 1 . . . . . 48 S CB . 27458 1 513 . 1 1 48 48 SER N N 15 116.771 0.067 . 1 . . . . . 48 S N . 27458 1 514 . 1 1 49 49 THR H H 1 7.892 0.006 . 1 . . . . . 49 T H . 27458 1 515 . 1 1 49 49 THR HA H 1 4.542 0.006 . 1 . . . . . 49 T HA . 27458 1 516 . 1 1 49 49 THR HB H 1 4.467 0.005 . 1 . . . . . 49 T HB . 27458 1 517 . 1 1 49 49 THR HG21 H 1 1.234 0.002 . 1 . . . . . 49 T MG . 27458 1 518 . 1 1 49 49 THR HG22 H 1 1.234 0.002 . 1 . . . . . 49 T MG . 27458 1 519 . 1 1 49 49 THR HG23 H 1 1.234 0.002 . 1 . . . . . 49 T MG . 27458 1 520 . 1 1 49 49 THR C C 13 175.344 0.000 . 1 . . . . . 49 T C . 27458 1 521 . 1 1 49 49 THR CA C 13 62.179 0.045 . 1 . . . . . 49 T CA . 27458 1 522 . 1 1 49 49 THR CB C 13 69.108 0.054 . 1 . . . . . 49 T CB . 27458 1 523 . 1 1 49 49 THR CG2 C 13 21.613 0.052 . 1 . . . . . 49 T CG . 27458 1 524 . 1 1 49 49 THR N N 15 110.598 0.106 . 1 . . . . . 49 T N . 27458 1 525 . 1 1 50 50 LEU H H 1 7.853 0.006 . 1 . . . . . 50 L H . 27458 1 526 . 1 1 50 50 LEU HA H 1 4.507 0.003 . 1 . . . . . 50 L HA . 27458 1 527 . 1 1 50 50 LEU HB2 H 1 1.642 0.011 . 2 . . . . . 50 L HB2 . 27458 1 528 . 1 1 50 50 LEU HB3 H 1 1.901 0.001 . 2 . . . . . 50 L HB3 . 27458 1 529 . 1 1 50 50 LEU HG H 1 0.790 0.011 . 1 . . . . . 50 L HG . 27458 1 530 . 1 1 50 50 LEU HD11 H 1 0.134 0.002 . 2 . . . . . 50 L MD1 . 27458 1 531 . 1 1 50 50 LEU HD12 H 1 0.134 0.002 . 2 . . . . . 50 L MD1 . 27458 1 532 . 1 1 50 50 LEU HD13 H 1 0.134 0.002 . 2 . . . . . 50 L MD1 . 27458 1 533 . 1 1 50 50 LEU HD21 H 1 0.785 0.001 . 2 . . . . . 50 L MD2 . 27458 1 534 . 1 1 50 50 LEU HD22 H 1 0.785 0.001 . 2 . . . . . 50 L MD2 . 27458 1 535 . 1 1 50 50 LEU HD23 H 1 0.785 0.001 . 2 . . . . . 50 L MD2 . 27458 1 536 . 1 1 50 50 LEU C C 13 177.346 0.000 . 1 . . . . . 50 L C . 27458 1 537 . 1 1 50 50 LEU CA C 13 54.237 0.131 . 1 . . . . . 50 L CA . 27458 1 538 . 1 1 50 50 LEU CB C 13 42.695 0.067 . 1 . . . . . 50 L CB . 27458 1 539 . 1 1 50 50 LEU CG C 13 25.821 0.100 . 1 . . . . . 50 L CG . 27458 1 540 . 1 1 50 50 LEU CD1 C 13 23.193 0.046 . 2 . . . . . 50 L CD1 . 27458 1 541 . 1 1 50 50 LEU CD2 C 13 22.934 0.013 . 2 . . . . . 50 L CD2 . 27458 1 542 . 1 1 50 50 LEU N N 15 121.451 0.071 . 1 . . . . . 50 L N . 27458 1 543 . 1 1 51 51 VAL H H 1 7.376 0.006 . 1 . . . . . 51 V H . 27458 1 544 . 1 1 51 51 VAL HA H 1 3.294 0.002 . 1 . . . . . 51 V HA . 27458 1 545 . 1 1 51 51 VAL HB H 1 1.960 0.003 . 1 . . . . . 51 V HB . 27458 1 546 . 1 1 51 51 VAL HG11 H 1 0.948 0.003 . 2 . . . . . 51 V MG1 . 27458 1 547 . 1 1 51 51 VAL HG12 H 1 0.948 0.003 . 2 . . . . . 51 V MG1 . 27458 1 548 . 1 1 51 51 VAL HG13 H 1 0.948 0.003 . 2 . . . . . 51 V MG1 . 27458 1 549 . 1 1 51 51 VAL HG21 H 1 0.788 0.002 . 2 . . . . . 51 V MG2 . 27458 1 550 . 1 1 51 51 VAL HG22 H 1 0.788 0.002 . 2 . . . . . 51 V MG2 . 27458 1 551 . 1 1 51 51 VAL HG23 H 1 0.788 0.002 . 2 . . . . . 51 V MG2 . 27458 1 552 . 1 1 51 51 VAL C C 13 178.237 0.000 . 1 . . . . . 51 V C . 27458 1 553 . 1 1 51 51 VAL CA C 13 65.434 0.036 . 1 . . . . . 51 V CA . 27458 1 554 . 1 1 51 51 VAL CB C 13 30.953 0.064 . 1 . . . . . 51 V CB . 27458 1 555 . 1 1 51 51 VAL CG1 C 13 22.469 0.039 . 2 . . . . . 51 V CG1 . 27458 1 556 . 1 1 51 51 VAL CG2 C 13 21.217 0.032 . 2 . . . . . 51 V CG2 . 27458 1 557 . 1 1 51 51 VAL N N 15 122.205 0.048 . 1 . . . . . 51 V N . 27458 1 558 . 1 1 52 52 GLY H H 1 8.685 0.007 . 1 . . . . . 52 G H . 27458 1 559 . 1 1 52 52 GLY HA2 H 1 3.763 0.003 . 2 . . . . . 52 G HA2 . 27458 1 560 . 1 1 52 52 GLY HA3 H 1 4.164 0.006 . 2 . . . . . 52 G HA3 . 27458 1 561 . 1 1 52 52 GLY C C 13 173.808 0.000 . 1 . . . . . 52 G C . 27458 1 562 . 1 1 52 52 GLY CA C 13 46.186 0.055 . 1 . . . . . 52 G CA . 27458 1 563 . 1 1 52 52 GLY N N 15 114.987 0.078 . 1 . . . . . 52 G N . 27458 1 564 . 1 1 53 53 LYS H H 1 7.952 0.011 . 1 . . . . . 53 K H . 27458 1 565 . 1 1 53 53 LYS HA H 1 4.837 0.004 . 1 . . . . . 53 K HA . 27458 1 566 . 1 1 53 53 LYS HB2 H 1 1.568 0.006 . 2 . . . . . 53 K HB2 . 27458 1 567 . 1 1 53 53 LYS HB3 H 1 1.650 0.005 . 2 . . . . . 53 K HB3 . 27458 1 568 . 1 1 53 53 LYS HG2 H 1 1.207 0.009 . 2 . . . . . 53 K HG2 . 27458 1 569 . 1 1 53 53 LYS HG3 H 1 1.290 0.013 . 2 . . . . . 53 K HG3 . 27458 1 570 . 1 1 53 53 LYS HD2 H 1 1.654 0.004 . 2 . . . . . 53 K HD2 . 27458 1 571 . 1 1 53 53 LYS HD3 H 1 1.654 0.004 . 2 . . . . . 53 K HD3 . 27458 1 572 . 1 1 53 53 LYS HE2 H 1 2.968 0.002 . 2 . . . . . 53 K HE2 . 27458 1 573 . 1 1 53 53 LYS HE3 H 1 2.968 0.002 . 2 . . . . . 53 K HE3 . 27458 1 574 . 1 1 53 53 LYS CA C 13 52.852 0.032 . 1 . . . . . 53 K CA . 27458 1 575 . 1 1 53 53 LYS CB C 13 33.450 0.029 . 1 . . . . . 53 K CB . 27458 1 576 . 1 1 53 53 LYS CG C 13 24.067 0.031 . 1 . . . . . 53 K CG . 27458 1 577 . 1 1 53 53 LYS CD C 13 29.456 0.055 . 1 . . . . . 53 K CD . 27458 1 578 . 1 1 53 53 LYS CE C 13 42.426 0.041 . 1 . . . . . 53 K CE . 27458 1 579 . 1 1 53 53 LYS N N 15 121.893 0.042 . 1 . . . . . 53 K N . 27458 1 580 . 1 1 54 54 PRO HA H 1 4.359 0.013 . 1 . . . . . 54 P HA . 27458 1 581 . 1 1 54 54 PRO CA C 13 62.404 0.100 . 1 . . . . . 54 P CA . 27458 1 582 . 1 1 54 54 PRO CB C 13 32.038 0.001 . 1 . . . . . 54 P CB . 27458 1 583 . 1 1 54 54 PRO CG C 13 26.976 0.000 . 1 . . . . . 54 P CG . 27458 1 584 . 1 1 54 54 PRO CD C 13 50.158 0.000 . 1 . . . . . 54 P CD . 27458 1 585 . 1 1 55 55 VAL H H 1 8.069 0.005 . 1 . . . . . 55 V H . 27458 1 586 . 1 1 55 55 VAL HA H 1 4.176 0.007 . 1 . . . . . 55 V HA . 27458 1 587 . 1 1 55 55 VAL HB H 1 2.302 0.006 . 1 . . . . . 55 V HB . 27458 1 588 . 1 1 55 55 VAL HG11 H 1 0.983 0.009 . 2 . . . . . 55 V MG1 . 27458 1 589 . 1 1 55 55 VAL HG12 H 1 0.983 0.009 . 2 . . . . . 55 V MG1 . 27458 1 590 . 1 1 55 55 VAL HG13 H 1 0.983 0.009 . 2 . . . . . 55 V MG1 . 27458 1 591 . 1 1 55 55 VAL HG21 H 1 0.745 0.008 . 2 . . . . . 55 V MG2 . 27458 1 592 . 1 1 55 55 VAL HG22 H 1 0.745 0.008 . 2 . . . . . 55 V MG2 . 27458 1 593 . 1 1 55 55 VAL HG23 H 1 0.745 0.008 . 2 . . . . . 55 V MG2 . 27458 1 594 . 1 1 55 55 VAL C C 13 175.974 0.000 . 1 . . . . . 55 V C . 27458 1 595 . 1 1 55 55 VAL CA C 13 62.183 0.064 . 1 . . . . . 55 V CA . 27458 1 596 . 1 1 55 55 VAL CB C 13 32.154 0.089 . 1 . . . . . 55 V CB . 27458 1 597 . 1 1 55 55 VAL CG1 C 13 21.736 0.109 . 2 . . . . . 55 V CG1 . 27458 1 598 . 1 1 55 55 VAL CG2 C 13 18.629 0.080 . 2 . . . . . 55 V CG2 . 27458 1 599 . 1 1 55 55 VAL N N 15 116.173 0.236 . 1 . . . . . 55 V N . 27458 1 600 . 1 1 56 56 ALA H H 1 7.833 0.005 . 1 . . . . . 56 A H . 27458 1 601 . 1 1 56 56 ALA HA H 1 4.371 0.003 . 1 . . . . . 56 A HA . 27458 1 602 . 1 1 56 56 ALA HB1 H 1 0.442 0.014 . 1 . . . . . 56 A MB . 27458 1 603 . 1 1 56 56 ALA HB2 H 1 0.442 0.014 . 1 . . . . . 56 A MB . 27458 1 604 . 1 1 56 56 ALA HB3 H 1 0.442 0.014 . 1 . . . . . 56 A MB . 27458 1 605 . 1 1 56 56 ALA C C 13 176.280 0.000 . 1 . . . . . 56 A C . 27458 1 606 . 1 1 56 56 ALA CA C 13 50.679 0.045 . 1 . . . . . 56 A CA . 27458 1 607 . 1 1 56 56 ALA CB C 13 21.926 0.060 . 1 . . . . . 56 A CB . 27458 1 608 . 1 1 56 56 ALA N N 15 120.360 0.050 . 1 . . . . . 56 A N . 27458 1 609 . 1 1 57 57 ALA H H 1 7.708 0.005 . 1 . . . . . 57 A H . 27458 1 610 . 1 1 57 57 ALA HA H 1 4.583 0.003 . 1 . . . . . 57 A HA . 27458 1 611 . 1 1 57 57 ALA HB1 H 1 1.389 0.003 . 1 . . . . . 57 A MB . 27458 1 612 . 1 1 57 57 ALA HB2 H 1 1.389 0.003 . 1 . . . . . 57 A MB . 27458 1 613 . 1 1 57 57 ALA HB3 H 1 1.389 0.003 . 1 . . . . . 57 A MB . 27458 1 614 . 1 1 57 57 ALA CA C 13 50.304 0.024 . 1 . . . . . 57 A CA . 27458 1 615 . 1 1 57 57 ALA CB C 13 17.762 0.012 . 1 . . . . . 57 A CB . 27458 1 616 . 1 1 57 57 ALA N N 15 123.837 0.036 . 1 . . . . . 57 A N . 27458 1 617 . 1 1 58 58 PRO HA H 1 4.380 0.003 . 1 . . . . . 58 P HA . 27458 1 618 . 1 1 58 58 PRO HB2 H 1 1.899 0.008 . 2 . . . . . 58 P HB2 . 27458 1 619 . 1 1 58 58 PRO HB3 H 1 2.270 0.009 . 2 . . . . . 58 P HB3 . 27458 1 620 . 1 1 58 58 PRO HD2 H 1 3.616 0.010 . 2 . . . . . 58 P HD2 . 27458 1 621 . 1 1 58 58 PRO HD3 H 1 3.828 0.007 . 2 . . . . . 58 P HD3 . 27458 1 622 . 1 1 58 58 PRO C C 13 176.839 0.000 . 1 . . . . . 58 P C . 27458 1 623 . 1 1 58 58 PRO CA C 13 63.128 0.059 . 1 . . . . . 58 P CA . 27458 1 624 . 1 1 58 58 PRO CB C 13 32.108 0.046 . 1 . . . . . 58 P CB . 27458 1 625 . 1 1 58 58 PRO CG C 13 27.440 0.004 . 1 . . . . . 58 P CG . 27458 1 626 . 1 1 58 58 PRO CD C 13 50.722 0.056 . 1 . . . . . 58 P CD . 27458 1 627 . 1 1 59 59 HIS H H 1 8.474 0.002 . 1 . . . . . 59 H H . 27458 1 628 . 1 1 59 59 HIS HA H 1 5.036 0.002 . 1 . . . . . 59 H HA . 27458 1 629 . 1 1 59 59 HIS HB2 H 1 2.906 0.005 . 2 . . . . . 59 H HB2 . 27458 1 630 . 1 1 59 59 HIS HB3 H 1 3.145 0.006 . 2 . . . . . 59 H HB3 . 27458 1 631 . 1 1 59 59 HIS C C 13 171.589 0.000 . 1 . . . . . 59 H C . 27458 1 632 . 1 1 59 59 HIS CA C 13 55.003 0.074 . 1 . . . . . 59 H CA . 27458 1 633 . 1 1 59 59 HIS CB C 13 30.798 0.027 . 1 . . . . . 59 H CB . 27458 1 634 . 1 1 59 59 HIS N N 15 120.564 0.031 . 1 . . . . . 59 H N . 27458 1 635 . 1 1 60 60 THR H H 1 8.331 0.009 . 1 . . . . . 60 T H . 27458 1 636 . 1 1 60 60 THR HA H 1 4.668 0.004 . 1 . . . . . 60 T HA . 27458 1 637 . 1 1 60 60 THR HB H 1 3.857 0.023 . 1 . . . . . 60 T HB . 27458 1 638 . 1 1 60 60 THR HG21 H 1 0.849 0.000 . 1 . . . . . 60 T MG . 27458 1 639 . 1 1 60 60 THR HG22 H 1 0.849 0.000 . 1 . . . . . 60 T MG . 27458 1 640 . 1 1 60 60 THR HG23 H 1 0.849 0.000 . 1 . . . . . 60 T MG . 27458 1 641 . 1 1 60 60 THR C C 13 172.938 0.000 . 1 . . . . . 60 T C . 27458 1 642 . 1 1 60 60 THR CA C 13 59.704 0.076 . 1 . . . . . 60 T CA . 27458 1 643 . 1 1 60 60 THR CB C 13 72.706 0.051 . 1 . . . . . 60 T CB . 27458 1 644 . 1 1 60 60 THR CG2 C 13 20.584 0.000 . 1 . . . . . 60 T CG . 27458 1 645 . 1 1 60 60 THR N N 15 108.032 0.150 . 1 . . . . . 60 T N . 27458 1 646 . 1 1 61 61 HIS H H 1 9.449 0.004 . 1 . . . . . 61 H H . 27458 1 647 . 1 1 61 61 HIS HA H 1 5.485 0.002 . 1 . . . . . 61 H HA . 27458 1 648 . 1 1 61 61 HIS HB2 H 1 3.110 0.005 . 2 . . . . . 61 H HB2 . 27458 1 649 . 1 1 61 61 HIS HB3 H 1 3.372 0.007 . 2 . . . . . 61 H HB3 . 27458 1 650 . 1 1 61 61 HIS CA C 13 52.624 0.024 . 1 . . . . . 61 H CA . 27458 1 651 . 1 1 61 61 HIS CB C 13 30.318 0.046 . 1 . . . . . 61 H CB . 27458 1 652 . 1 1 61 61 HIS N N 15 115.877 0.065 . 1 . . . . . 61 H N . 27458 1 653 . 1 1 62 62 PRO HA H 1 4.698 0.002 . 1 . . . . . 62 P HA . 27458 1 654 . 1 1 62 62 PRO HB2 H 1 1.997 0.007 . 2 . . . . . 62 P HB2 . 27458 1 655 . 1 1 62 62 PRO HB3 H 1 2.241 0.008 . 2 . . . . . 62 P HB3 . 27458 1 656 . 1 1 62 62 PRO HG2 H 1 2.005 0.003 . 2 . . . . . 62 P HG2 . 27458 1 657 . 1 1 62 62 PRO C C 13 175.098 0.000 . 1 . . . . . 62 P C . 27458 1 658 . 1 1 62 62 PRO CA C 13 62.866 0.049 . 1 . . . . . 62 P CA . 27458 1 659 . 1 1 62 62 PRO CB C 13 31.763 0.051 . 1 . . . . . 62 P CB . 27458 1 660 . 1 1 62 62 PRO CG C 13 27.237 0.081 . 1 . . . . . 62 P CG . 27458 1 661 . 1 1 63 63 VAL H H 1 6.764 0.006 . 1 . . . . . 63 V H . 27458 1 662 . 1 1 63 63 VAL HA H 1 4.596 0.002 . 1 . . . . . 63 V HA . 27458 1 663 . 1 1 63 63 VAL HB H 1 2.186 0.002 . 1 . . . . . 63 V HB . 27458 1 664 . 1 1 63 63 VAL HG11 H 1 0.843 0.002 . 2 . . . . . 63 V MG1 . 27458 1 665 . 1 1 63 63 VAL HG12 H 1 0.843 0.002 . 2 . . . . . 63 V MG1 . 27458 1 666 . 1 1 63 63 VAL HG13 H 1 0.843 0.002 . 2 . . . . . 63 V MG1 . 27458 1 667 . 1 1 63 63 VAL HG21 H 1 0.642 0.001 . 2 . . . . . 63 V MG2 . 27458 1 668 . 1 1 63 63 VAL HG22 H 1 0.642 0.001 . 2 . . . . . 63 V MG2 . 27458 1 669 . 1 1 63 63 VAL HG23 H 1 0.642 0.001 . 2 . . . . . 63 V MG2 . 27458 1 670 . 1 1 63 63 VAL C C 13 174.471 0.000 . 1 . . . . . 63 V C . 27458 1 671 . 1 1 63 63 VAL CA C 13 57.836 0.039 . 1 . . . . . 63 V CA . 27458 1 672 . 1 1 63 63 VAL CB C 13 35.261 0.048 . 1 . . . . . 63 V CB . 27458 1 673 . 1 1 63 63 VAL CG1 C 13 22.781 0.026 . 2 . . . . . 63 V CG1 . 27458 1 674 . 1 1 63 63 VAL CG2 C 13 18.649 0.015 . 2 . . . . . 63 V CG2 . 27458 1 675 . 1 1 63 63 VAL N N 15 108.522 0.132 . 1 . . . . . 63 V N . 27458 1 676 . 1 1 64 64 ASP H H 1 8.941 0.004 . 1 . . . . . 64 D H . 27458 1 677 . 1 1 64 64 ASP HA H 1 4.430 0.002 . 1 . . . . . 64 D HA . 27458 1 678 . 1 1 64 64 ASP HB2 H 1 2.192 0.003 . 2 . . . . . 64 D HB2 . 27458 1 679 . 1 1 64 64 ASP HB3 H 1 2.689 0.004 . 2 . . . . . 64 D HB3 . 27458 1 680 . 1 1 64 64 ASP CA C 13 54.989 0.050 . 1 . . . . . 64 D CA . 27458 1 681 . 1 1 64 64 ASP CB C 13 41.894 0.048 . 1 . . . . . 64 D CB . 27458 1 682 . 1 1 64 64 ASP N N 15 122.844 0.065 . 1 . . . . . 64 D N . 27458 1 683 . 1 1 65 65 GLU H H 1 8.273 0.008 . 1 . . . . . 65 E H . 27458 1 684 . 1 1 65 65 GLU HA H 1 5.243 0.004 . 1 . . . . . 65 E HA . 27458 1 685 . 1 1 65 65 GLU HB2 H 1 1.443 0.003 . 2 . . . . . 65 E HB2 . 27458 1 686 . 1 1 65 65 GLU HB3 H 1 1.749 0.006 . 2 . . . . . 65 E HB3 . 27458 1 687 . 1 1 65 65 GLU C C 13 173.397 0.000 . 1 . . . . . 65 E C . 27458 1 688 . 1 1 65 65 GLU CA C 13 52.864 0.068 . 1 . . . . . 65 E CA . 27458 1 689 . 1 1 65 65 GLU CB C 13 34.569 0.069 . 1 . . . . . 65 E CB . 27458 1 690 . 1 1 65 65 GLU N N 15 120.968 0.052 . 1 . . . . . 65 E N . 27458 1 691 . 1 1 66 66 LEU H H 1 9.138 0.004 . 1 . . . . . 66 L H . 27458 1 692 . 1 1 66 66 LEU HA H 1 5.187 0.004 . 1 . . . . . 66 L HA . 27458 1 693 . 1 1 66 66 LEU HB2 H 1 1.079 0.007 . 2 . . . . . 66 L HB2 . 27458 1 694 . 1 1 66 66 LEU HB3 H 1 1.675 0.005 . 2 . . . . . 66 L HB3 . 27458 1 695 . 1 1 66 66 LEU HG H 1 1.546 0.006 . 1 . . . . . 66 L HG . 27458 1 696 . 1 1 66 66 LEU HD11 H 1 0.898 0.005 . 2 . . . . . 66 L MD1 . 27458 1 697 . 1 1 66 66 LEU HD12 H 1 0.898 0.005 . 2 . . . . . 66 L MD1 . 27458 1 698 . 1 1 66 66 LEU HD13 H 1 0.898 0.005 . 2 . . . . . 66 L MD1 . 27458 1 699 . 1 1 66 66 LEU HD21 H 1 0.422 0.004 . 2 . . . . . 66 L MD2 . 27458 1 700 . 1 1 66 66 LEU HD22 H 1 0.422 0.004 . 2 . . . . . 66 L MD2 . 27458 1 701 . 1 1 66 66 LEU HD23 H 1 0.422 0.004 . 2 . . . . . 66 L MD2 . 27458 1 702 . 1 1 66 66 LEU C C 13 177.298 0.000 . 1 . . . . . 66 L C . 27458 1 703 . 1 1 66 66 LEU CA C 13 51.801 0.069 . 1 . . . . . 66 L CA . 27458 1 704 . 1 1 66 66 LEU CB C 13 43.017 0.057 . 1 . . . . . 66 L CB . 27458 1 705 . 1 1 66 66 LEU CG C 13 27.073 0.110 . 1 . . . . . 66 L CG . 27458 1 706 . 1 1 66 66 LEU CD1 C 13 27.191 0.058 . 2 . . . . . 66 L CD1 . 27458 1 707 . 1 1 66 66 LEU CD2 C 13 22.945 0.034 . 2 . . . . . 66 L CD2 . 27458 1 708 . 1 1 66 66 LEU N N 15 123.666 0.066 . 1 . . . . . 66 L N . 27458 1 709 . 1 1 67 67 TYR H H 1 9.006 0.005 . 1 . . . . . 67 Y H . 27458 1 710 . 1 1 67 67 TYR HA H 1 5.683 0.002 . 1 . . . . . 67 Y HA . 27458 1 711 . 1 1 67 67 TYR HB2 H 1 2.464 0.003 . 2 . . . . . 67 Y HB2 . 27458 1 712 . 1 1 67 67 TYR HB3 H 1 2.585 0.005 . 2 . . . . . 67 Y HB3 . 27458 1 713 . 1 1 67 67 TYR C C 13 174.724 0.000 . 1 . . . . . 67 Y C . 27458 1 714 . 1 1 67 67 TYR CA C 13 53.899 0.064 . 1 . . . . . 67 Y CA . 27458 1 715 . 1 1 67 67 TYR CB C 13 38.954 0.057 . 1 . . . . . 67 Y CB . 27458 1 716 . 1 1 67 67 TYR N N 15 121.802 0.043 . 1 . . . . . 67 Y N . 27458 1 717 . 1 1 68 68 LEU H H 1 9.127 0.011 . 1 . . . . . 68 L H . 27458 1 718 . 1 1 68 68 LEU HA H 1 4.932 0.004 . 1 . . . . . 68 L HA . 27458 1 719 . 1 1 68 68 LEU HB2 H 1 1.007 0.004 . 2 . . . . . 68 L HB2 . 27458 1 720 . 1 1 68 68 LEU HB3 H 1 1.757 0.005 . 2 . . . . . 68 L HB3 . 27458 1 721 . 1 1 68 68 LEU HG H 1 1.200 0.003 . 1 . . . . . 68 L HG . 27458 1 722 . 1 1 68 68 LEU HD11 H 1 0.162 0.003 . 2 . . . . . 68 L MD1 . 27458 1 723 . 1 1 68 68 LEU HD12 H 1 0.162 0.003 . 2 . . . . . 68 L MD1 . 27458 1 724 . 1 1 68 68 LEU HD13 H 1 0.162 0.003 . 2 . . . . . 68 L MD1 . 27458 1 725 . 1 1 68 68 LEU HD21 H 1 0.602 0.005 . 2 . . . . . 68 L MD2 . 27458 1 726 . 1 1 68 68 LEU HD22 H 1 0.602 0.005 . 2 . . . . . 68 L MD2 . 27458 1 727 . 1 1 68 68 LEU HD23 H 1 0.602 0.005 . 2 . . . . . 68 L MD2 . 27458 1 728 . 1 1 68 68 LEU C C 13 172.547 0.000 . 1 . . . . . 68 L C . 27458 1 729 . 1 1 68 68 LEU CA C 13 53.508 0.072 . 1 . . . . . 68 L CA . 27458 1 730 . 1 1 68 68 LEU CB C 13 44.764 0.064 . 1 . . . . . 68 L CB . 27458 1 731 . 1 1 68 68 LEU CG C 13 27.864 0.060 . 1 . . . . . 68 L CG . 27458 1 732 . 1 1 68 68 LEU CD1 C 13 25.948 0.055 . 2 . . . . . 68 L CD1 . 27458 1 733 . 1 1 68 68 LEU CD2 C 13 23.642 0.041 . 2 . . . . . 68 L CD2 . 27458 1 734 . 1 1 68 68 LEU N N 15 123.780 0.053 . 1 . . . . . 68 L N . 27458 1 735 . 1 1 69 69 LEU H H 1 8.944 0.004 . 1 . . . . . 69 L H . 27458 1 736 . 1 1 69 69 LEU HA H 1 5.250 0.005 . 1 . . . . . 69 L HA . 27458 1 737 . 1 1 69 69 LEU HB2 H 1 0.809 0.005 . 2 . . . . . 69 L HB2 . 27458 1 738 . 1 1 69 69 LEU HB3 H 1 1.830 0.007 . 2 . . . . . 69 L HB3 . 27458 1 739 . 1 1 69 69 LEU HG H 1 0.576 0.018 . 1 . . . . . 69 L HG . 27458 1 740 . 1 1 69 69 LEU HD11 H 1 0.647 0.003 . 2 . . . . . 69 L MD1 . 27458 1 741 . 1 1 69 69 LEU HD12 H 1 0.647 0.003 . 2 . . . . . 69 L MD1 . 27458 1 742 . 1 1 69 69 LEU HD13 H 1 0.647 0.003 . 2 . . . . . 69 L MD1 . 27458 1 743 . 1 1 69 69 LEU C C 13 174.754 0.000 . 1 . . . . . 69 L C . 27458 1 744 . 1 1 69 69 LEU CA C 13 53.021 0.071 . 1 . . . . . 69 L CA . 27458 1 745 . 1 1 69 69 LEU CB C 13 45.528 0.078 . 1 . . . . . 69 L CB . 27458 1 746 . 1 1 69 69 LEU CG C 13 27.478 0.047 . 1 . . . . . 69 L CG . 27458 1 747 . 1 1 69 69 LEU CD1 C 13 23.774 0.066 . 2 . . . . . 69 L CD1 . 27458 1 748 . 1 1 69 69 LEU N N 15 129.958 0.107 . 1 . . . . . 69 L N . 27458 1 749 . 1 1 70 70 VAL H H 1 8.554 0.005 . 1 . . . . . 70 V H . 27458 1 750 . 1 1 70 70 VAL HA H 1 4.707 0.004 . 1 . . . . . 70 V HA . 27458 1 751 . 1 1 70 70 VAL HB H 1 1.887 0.003 . 1 . . . . . 70 V HB . 27458 1 752 . 1 1 70 70 VAL HG11 H 1 0.363 0.004 . 2 . . . . . 70 V MG1 . 27458 1 753 . 1 1 70 70 VAL HG12 H 1 0.363 0.004 . 2 . . . . . 70 V MG1 . 27458 1 754 . 1 1 70 70 VAL HG13 H 1 0.363 0.004 . 2 . . . . . 70 V MG1 . 27458 1 755 . 1 1 70 70 VAL HG21 H 1 0.443 0.005 . 2 . . . . . 70 V MG2 . 27458 1 756 . 1 1 70 70 VAL HG22 H 1 0.443 0.005 . 2 . . . . . 70 V MG2 . 27458 1 757 . 1 1 70 70 VAL HG23 H 1 0.443 0.005 . 2 . . . . . 70 V MG2 . 27458 1 758 . 1 1 70 70 VAL C C 13 172.596 0.000 . 1 . . . . . 70 V C . 27458 1 759 . 1 1 70 70 VAL CA C 13 59.577 0.030 . 1 . . . . . 70 V CA . 27458 1 760 . 1 1 70 70 VAL CB C 13 36.104 0.037 . 1 . . . . . 70 V CB . 27458 1 761 . 1 1 70 70 VAL CG1 C 13 20.712 0.011 . 2 . . . . . 70 V CG1 . 27458 1 762 . 1 1 70 70 VAL CG2 C 13 19.142 0.025 . 2 . . . . . 70 V CG2 . 27458 1 763 . 1 1 70 70 VAL N N 15 118.277 0.042 . 1 . . . . . 70 V N . 27458 1 764 . 1 1 71 71 SER H H 1 7.786 0.012 . 1 . . . . . 71 S H . 27458 1 765 . 1 1 71 71 SER HA H 1 5.099 0.002 . 1 . . . . . 71 S HA . 27458 1 766 . 1 1 71 71 SER HB2 H 1 4.487 0.003 . 2 . . . . . 71 S HB2 . 27458 1 767 . 1 1 71 71 SER CA C 13 58.248 0.108 . 1 . . . . . 71 S CA . 27458 1 768 . 1 1 71 71 SER CB C 13 64.161 0.163 . 1 . . . . . 71 S CB . 27458 1 769 . 1 1 71 71 SER N N 15 115.543 0.066 . 1 . . . . . 71 S N . 27458 1 770 . 1 1 72 72 PRO HA H 1 4.035 0.008 . 1 . . . . . 72 P HA . 27458 1 771 . 1 1 72 72 PRO HB2 H 1 1.829 0.008 . 2 . . . . . 72 P HB2 . 27458 1 772 . 1 1 72 72 PRO HB3 H 1 2.254 0.005 . 2 . . . . . 72 P HB3 . 27458 1 773 . 1 1 72 72 PRO HG2 H 1 1.779 0.003 . 2 . . . . . 72 P HG2 . 27458 1 774 . 1 1 72 72 PRO HG3 H 1 2.256 0.004 . 2 . . . . . 72 P HG3 . 27458 1 775 . 1 1 72 72 PRO HD2 H 1 3.440 0.001 . 2 . . . . . 72 P HD2 . 27458 1 776 . 1 1 72 72 PRO C C 13 176.849 0.000 . 1 . . . . . 72 P C . 27458 1 777 . 1 1 72 72 PRO CA C 13 66.698 0.053 . 1 . . . . . 72 P CA . 27458 1 778 . 1 1 72 72 PRO CB C 13 32.526 0.089 . 1 . . . . . 72 P CB . 27458 1 779 . 1 1 72 72 PRO CG C 13 28.239 0.064 . 1 . . . . . 72 P CG . 27458 1 780 . 1 1 72 72 PRO CD C 13 50.244 0.030 . 1 . . . . . 72 P CD . 27458 1 781 . 1 1 73 73 ASN H H 1 9.865 0.005 . 1 . . . . . 73 N H . 27458 1 782 . 1 1 73 73 ASN HA H 1 4.966 0.002 . 1 . . . . . 73 N HA . 27458 1 783 . 1 1 73 73 ASN HB2 H 1 2.357 0.006 . 2 . . . . . 73 N HB2 . 27458 1 784 . 1 1 73 73 ASN HB3 H 1 2.965 0.003 . 2 . . . . . 73 N HB3 . 27458 1 785 . 1 1 73 73 ASN HD21 H 1 9.767 0.000 . 2 . . . . . 73 N HD21 . 27458 1 786 . 1 1 73 73 ASN HD22 H 1 6.972 0.000 . 2 . . . . . 73 N HD22 . 27458 1 787 . 1 1 73 73 ASN C C 13 175.362 0.000 . 1 . . . . . 73 N C . 27458 1 788 . 1 1 73 73 ASN CA C 13 51.970 0.052 . 1 . . . . . 73 N CA . 27458 1 789 . 1 1 73 73 ASN CB C 13 40.920 0.059 . 1 . . . . . 73 N CB . 27458 1 790 . 1 1 73 73 ASN N N 15 114.800 0.053 . 1 . . . . . 73 N N . 27458 1 791 . 1 1 73 73 ASN ND2 N 15 121.162 0.002 . 1 . . . . . 73 N ND2 . 27458 1 792 . 1 1 74 74 LYS H H 1 8.980 0.004 . 1 . . . . . 74 K H . 27458 1 793 . 1 1 74 74 LYS HA H 1 4.061 0.003 . 1 . . . . . 74 K HA . 27458 1 794 . 1 1 74 74 LYS HB2 H 1 1.835 0.006 . 2 . . . . . 74 K HB2 . 27458 1 795 . 1 1 74 74 LYS HB3 H 1 1.927 0.006 . 2 . . . . . 74 K HB3 . 27458 1 796 . 1 1 74 74 LYS HG2 H 1 1.432 0.002 . 2 . . . . . 74 K HG2 . 27458 1 797 . 1 1 74 74 LYS HG3 H 1 1.706 0.006 . 2 . . . . . 74 K HG3 . 27458 1 798 . 1 1 74 74 LYS HD2 H 1 1.794 0.004 . 2 . . . . . 74 K HD2 . 27458 1 799 . 1 1 74 74 LYS HD3 H 1 1.864 0.003 . 2 . . . . . 74 K HD3 . 27458 1 800 . 1 1 74 74 LYS HE2 H 1 3.125 0.003 . 2 . . . . . 74 K HE2 . 27458 1 801 . 1 1 74 74 LYS HE3 H 1 3.169 0.005 . 2 . . . . . 74 K HE3 . 27458 1 802 . 1 1 74 74 LYS C C 13 177.845 0.000 . 1 . . . . . 74 K C . 27458 1 803 . 1 1 74 74 LYS CA C 13 58.793 0.046 . 1 . . . . . 74 K CA . 27458 1 804 . 1 1 74 74 LYS CB C 13 32.073 0.036 . 1 . . . . . 74 K CB . 27458 1 805 . 1 1 74 74 LYS CG C 13 25.135 0.028 . 1 . . . . . 74 K CG . 27458 1 806 . 1 1 74 74 LYS CD C 13 29.611 0.032 . 1 . . . . . 74 K CD . 27458 1 807 . 1 1 74 74 LYS CE C 13 42.377 0.049 . 1 . . . . . 74 K CE . 27458 1 808 . 1 1 74 74 LYS N N 15 126.470 0.099 . 1 . . . . . 74 K N . 27458 1 809 . 1 1 75 75 GLY H H 1 8.960 0.003 . 1 . . . . . 75 G H . 27458 1 810 . 1 1 75 75 GLY HA2 H 1 3.726 0.005 . 2 . . . . . 75 G HA2 . 27458 1 811 . 1 1 75 75 GLY HA3 H 1 4.095 0.004 . 2 . . . . . 75 G HA3 . 27458 1 812 . 1 1 75 75 GLY C C 13 174.270 0.000 . 1 . . . . . 75 G C . 27458 1 813 . 1 1 75 75 GLY CA C 13 45.845 0.139 . 1 . . . . . 75 G CA . 27458 1 814 . 1 1 75 75 GLY N N 15 116.692 0.037 . 1 . . . . . 75 G N . 27458 1 815 . 1 1 76 76 GLY H H 1 8.020 0.006 . 1 . . . . . 76 G H . 27458 1 816 . 1 1 76 76 GLY HA2 H 1 3.651 0.004 . 2 . . . . . 76 G HA2 . 27458 1 817 . 1 1 76 76 GLY HA3 H 1 3.905 0.004 . 2 . . . . . 76 G HA3 . 27458 1 818 . 1 1 76 76 GLY C C 13 172.933 0.000 . 1 . . . . . 76 G C . 27458 1 819 . 1 1 76 76 GLY CA C 13 45.544 0.084 . 1 . . . . . 76 G CA . 27458 1 820 . 1 1 76 76 GLY N N 15 106.697 0.129 . 1 . . . . . 76 G N . 27458 1 821 . 1 1 77 77 ALA H H 1 7.813 0.006 . 1 . . . . . 77 A H . 27458 1 822 . 1 1 77 77 ALA HA H 1 4.920 0.004 . 1 . . . . . 77 A HA . 27458 1 823 . 1 1 77 77 ALA HB1 H 1 1.351 0.001 . 1 . . . . . 77 A MB . 27458 1 824 . 1 1 77 77 ALA HB2 H 1 1.351 0.001 . 1 . . . . . 77 A MB . 27458 1 825 . 1 1 77 77 ALA HB3 H 1 1.351 0.001 . 1 . . . . . 77 A MB . 27458 1 826 . 1 1 77 77 ALA C C 13 174.425 0.000 . 1 . . . . . 77 A C . 27458 1 827 . 1 1 77 77 ALA CA C 13 50.362 0.038 . 1 . . . . . 77 A CA . 27458 1 828 . 1 1 77 77 ALA CB C 13 21.723 0.028 . 1 . . . . . 77 A CB . 27458 1 829 . 1 1 77 77 ALA N N 15 121.805 0.035 . 1 . . . . . 77 A N . 27458 1 830 . 1 1 78 78 ARG H H 1 8.899 0.010 . 1 . . . . . 78 R H . 27458 1 831 . 1 1 78 78 ARG HA H 1 5.508 0.004 . 1 . . . . . 78 R HA . 27458 1 832 . 1 1 78 78 ARG HB2 H 1 1.681 0.006 . 2 . . . . . 78 R HB2 . 27458 1 833 . 1 1 78 78 ARG HB3 H 1 1.681 0.006 . 2 . . . . . 78 R HB3 . 27458 1 834 . 1 1 78 78 ARG HG2 H 1 1.300 0.003 . 2 . . . . . 78 R HG2 . 27458 1 835 . 1 1 78 78 ARG HG3 H 1 1.524 0.005 . 2 . . . . . 78 R HG3 . 27458 1 836 . 1 1 78 78 ARG HD2 H 1 3.185 0.005 . 2 . . . . . 78 R HD2 . 27458 1 837 . 1 1 78 78 ARG HD3 H 1 3.185 0.005 . 2 . . . . . 78 R HD3 . 27458 1 838 . 1 1 78 78 ARG C C 13 176.041 0.000 . 1 . . . . . 78 R C . 27458 1 839 . 1 1 78 78 ARG CA C 13 54.655 0.041 . 1 . . . . . 78 R CA . 27458 1 840 . 1 1 78 78 ARG CB C 13 35.513 0.029 . 1 . . . . . 78 R CB . 27458 1 841 . 1 1 78 78 ARG CG C 13 27.797 0.044 . 1 . . . . . 78 R CG . 27458 1 842 . 1 1 78 78 ARG CD C 13 43.462 0.028 . 1 . . . . . 78 R CD . 27458 1 843 . 1 1 78 78 ARG N N 15 120.930 0.042 . 1 . . . . . 78 R N . 27458 1 844 . 1 1 79 79 ILE H H 1 8.984 0.009 . 1 . . . . . 79 I H . 27458 1 845 . 1 1 79 79 ILE HA H 1 5.321 0.007 . 1 . . . . . 79 I HA . 27458 1 846 . 1 1 79 79 ILE HB H 1 1.977 0.005 . 1 . . . . . 79 I HB . 27458 1 847 . 1 1 79 79 ILE HG12 H 1 1.253 0.008 . 2 . . . . . 79 I HG12 . 27458 1 848 . 1 1 79 79 ILE HG13 H 1 1.074 0.010 . 2 . . . . . 79 I HG13 . 27458 1 849 . 1 1 79 79 ILE HG21 H 1 0.847 0.003 . 1 . . . . . 79 I HG2 . 27458 1 850 . 1 1 79 79 ILE HG22 H 1 0.847 0.003 . 1 . . . . . 79 I HG2 . 27458 1 851 . 1 1 79 79 ILE HG23 H 1 0.847 0.003 . 1 . . . . . 79 I HG2 . 27458 1 852 . 1 1 79 79 ILE HD11 H 1 0.237 0.005 . 1 . . . . . 79 I MD . 27458 1 853 . 1 1 79 79 ILE HD12 H 1 0.237 0.005 . 1 . . . . . 79 I MD . 27458 1 854 . 1 1 79 79 ILE HD13 H 1 0.237 0.005 . 1 . . . . . 79 I MD . 27458 1 855 . 1 1 79 79 ILE C C 13 172.738 0.000 . 1 . . . . . 79 I C . 27458 1 856 . 1 1 79 79 ILE CA C 13 58.657 0.055 . 1 . . . . . 79 I CA . 27458 1 857 . 1 1 79 79 ILE CB C 13 41.531 0.052 . 1 . . . . . 79 I CB . 27458 1 858 . 1 1 79 79 ILE CG1 C 13 25.455 0.042 . 1 . . . . . 79 I CG1 . 27458 1 859 . 1 1 79 79 ILE CG2 C 13 17.160 0.037 . 1 . . . . . 79 I CG2 . 27458 1 860 . 1 1 79 79 ILE CD1 C 13 12.867 0.031 . 1 . . . . . 79 I CD . 27458 1 861 . 1 1 79 79 ILE N N 15 117.905 0.044 . 1 . . . . . 79 I N . 27458 1 862 . 1 1 80 80 GLU H H 1 9.476 0.005 . 1 . . . . . 80 E H . 27458 1 863 . 1 1 80 80 GLU HA H 1 5.189 0.007 . 1 . . . . . 80 E HA . 27458 1 864 . 1 1 80 80 GLU HB2 H 1 1.967 0.008 . 2 . . . . . 80 E HB2 . 27458 1 865 . 1 1 80 80 GLU HB3 H 1 2.129 0.016 . 2 . . . . . 80 E HB3 . 27458 1 866 . 1 1 80 80 GLU HG2 H 1 1.888 0.004 . 2 . . . . . 80 E HG2 . 27458 1 867 . 1 1 80 80 GLU HG3 H 1 2.078 0.004 . 2 . . . . . 80 E HG3 . 27458 1 868 . 1 1 80 80 GLU C C 13 175.607 0.000 . 1 . . . . . 80 E C . 27458 1 869 . 1 1 80 80 GLU CA C 13 54.308 0.045 . 1 . . . . . 80 E CA . 27458 1 870 . 1 1 80 80 GLU CB C 13 33.454 0.026 . 1 . . . . . 80 E CB . 27458 1 871 . 1 1 80 80 GLU CG C 13 37.874 0.035 . 1 . . . . . 80 E CG . 27458 1 872 . 1 1 80 80 GLU N N 15 121.910 0.066 . 1 . . . . . 80 E N . 27458 1 873 . 1 1 81 81 VAL H H 1 9.586 0.007 . 1 . . . . . 81 V H . 27458 1 874 . 1 1 81 81 VAL HA H 1 4.755 0.008 . 1 . . . . . 81 V HA . 27458 1 875 . 1 1 81 81 VAL HB H 1 1.974 0.004 . 1 . . . . . 81 V HB . 27458 1 876 . 1 1 81 81 VAL HG11 H 1 1.176 0.002 . 2 . . . . . 81 V MG1 . 27458 1 877 . 1 1 81 81 VAL HG12 H 1 1.176 0.002 . 2 . . . . . 81 V MG1 . 27458 1 878 . 1 1 81 81 VAL HG13 H 1 1.176 0.002 . 2 . . . . . 81 V MG1 . 27458 1 879 . 1 1 81 81 VAL HG21 H 1 1.048 0.004 . 2 . . . . . 81 V MG2 . 27458 1 880 . 1 1 81 81 VAL HG22 H 1 1.048 0.004 . 2 . . . . . 81 V MG2 . 27458 1 881 . 1 1 81 81 VAL HG23 H 1 1.048 0.004 . 2 . . . . . 81 V MG2 . 27458 1 882 . 1 1 81 81 VAL C C 13 175.823 0.000 . 1 . . . . . 81 V C . 27458 1 883 . 1 1 81 81 VAL CA C 13 61.496 0.128 . 1 . . . . . 81 V CA . 27458 1 884 . 1 1 81 81 VAL CB C 13 34.804 0.058 . 1 . . . . . 81 V CB . 27458 1 885 . 1 1 81 81 VAL CG1 C 13 21.000 0.044 . 2 . . . . . 81 V CG1 . 27458 1 886 . 1 1 81 81 VAL CG2 C 13 21.700 0.014 . 2 . . . . . 81 V CG2 . 27458 1 887 . 1 1 81 81 VAL N N 15 127.932 0.115 . 1 . . . . . 81 V N . 27458 1 888 . 1 1 82 82 GLN H H 1 8.746 0.010 . 1 . . . . . 82 Q H . 27458 1 889 . 1 1 82 82 GLN HA H 1 5.048 0.008 . 1 . . . . . 82 Q HA . 27458 1 890 . 1 1 82 82 GLN HB2 H 1 1.961 0.003 . 2 . . . . . 82 Q HB2 . 27458 1 891 . 1 1 82 82 GLN HB3 H 1 2.073 0.004 . 2 . . . . . 82 Q HB3 . 27458 1 892 . 1 1 82 82 GLN HG2 H 1 2.130 0.009 . 2 . . . . . 82 Q HG2 . 27458 1 893 . 1 1 82 82 GLN HG3 H 1 2.199 0.003 . 2 . . . . . 82 Q HG3 . 27458 1 894 . 1 1 82 82 GLN HE21 H 1 7.488 0.000 . 2 . . . . . 82 Q HE21 . 27458 1 895 . 1 1 82 82 GLN HE22 H 1 6.618 0.000 . 2 . . . . . 82 Q HE22 . 27458 1 896 . 1 1 82 82 GLN C C 13 174.794 0.000 . 1 . . . . . 82 Q C . 27458 1 897 . 1 1 82 82 GLN CA C 13 54.524 0.043 . 1 . . . . . 82 Q CA . 27458 1 898 . 1 1 82 82 GLN CB C 13 29.815 0.039 . 1 . . . . . 82 Q CB . 27458 1 899 . 1 1 82 82 GLN CG C 13 33.900 0.073 . 1 . . . . . 82 Q CG . 27458 1 900 . 1 1 82 82 GLN N N 15 127.718 0.132 . 1 . . . . . 82 Q N . 27458 1 901 . 1 1 82 82 GLN NE2 N 15 110.456 0.001 . 1 . . . . . 82 Q NE2 . 27458 1 902 . 1 1 83 83 LEU H H 1 9.117 0.013 . 1 . . . . . 83 L H . 27458 1 903 . 1 1 83 83 LEU HA H 1 5.153 0.006 . 1 . . . . . 83 L HA . 27458 1 904 . 1 1 83 83 LEU HB2 H 1 1.284 0.007 . 2 . . . . . 83 L HB2 . 27458 1 905 . 1 1 83 83 LEU HB3 H 1 1.949 0.004 . 2 . . . . . 83 L HB3 . 27458 1 906 . 1 1 83 83 LEU HG H 1 1.515 0.003 . 1 . . . . . 83 L HG . 27458 1 907 . 1 1 83 83 LEU HD11 H 1 0.845 0.008 . 2 . . . . . 83 L MD1 . 27458 1 908 . 1 1 83 83 LEU HD12 H 1 0.845 0.008 . 2 . . . . . 83 L MD1 . 27458 1 909 . 1 1 83 83 LEU HD13 H 1 0.845 0.008 . 2 . . . . . 83 L MD1 . 27458 1 910 . 1 1 83 83 LEU HD21 H 1 0.952 0.008 . 2 . . . . . 83 L MD2 . 27458 1 911 . 1 1 83 83 LEU HD22 H 1 0.952 0.008 . 2 . . . . . 83 L MD2 . 27458 1 912 . 1 1 83 83 LEU HD23 H 1 0.952 0.008 . 2 . . . . . 83 L MD2 . 27458 1 913 . 1 1 83 83 LEU C C 13 176.175 0.000 . 1 . . . . . 83 L C . 27458 1 914 . 1 1 83 83 LEU CA C 13 54.046 0.114 . 1 . . . . . 83 L CA . 27458 1 915 . 1 1 83 83 LEU CB C 13 45.389 0.049 . 1 . . . . . 83 L CB . 27458 1 916 . 1 1 83 83 LEU CG C 13 27.896 0.068 . 1 . . . . . 83 L CG . 27458 1 917 . 1 1 83 83 LEU CD1 C 13 26.348 0.059 . 2 . . . . . 83 L CD1 . 27458 1 918 . 1 1 83 83 LEU CD2 C 13 25.702 0.120 . 2 . . . . . 83 L CD2 . 27458 1 919 . 1 1 83 83 LEU N N 15 124.988 0.173 . 1 . . . . . 83 L N . 27458 1 920 . 1 1 84 84 ASP H H 1 9.681 0.006 . 1 . . . . . 84 D H . 27458 1 921 . 1 1 84 84 ASP HA H 1 4.457 0.003 . 1 . . . . . 84 D HA . 27458 1 922 . 1 1 84 84 ASP HB2 H 1 2.672 0.002 . 2 . . . . . 84 D HB2 . 27458 1 923 . 1 1 84 84 ASP HB3 H 1 3.007 0.002 . 2 . . . . . 84 D HB3 . 27458 1 924 . 1 1 84 84 ASP C C 13 175.829 0.000 . 1 . . . . . 84 D C . 27458 1 925 . 1 1 84 84 ASP CA C 13 56.181 0.057 . 1 . . . . . 84 D CA . 27458 1 926 . 1 1 84 84 ASP CB C 13 40.350 0.042 . 1 . . . . . 84 D CB . 27458 1 927 . 1 1 84 84 ASP N N 15 128.782 0.159 . 1 . . . . . 84 D N . 27458 1 928 . 1 1 85 85 GLY H H 1 8.788 0.006 . 1 . . . . . 85 G H . 27458 1 929 . 1 1 85 85 GLY HA2 H 1 3.611 0.003 . 2 . . . . . 85 G HA2 . 27458 1 930 . 1 1 85 85 GLY HA3 H 1 4.178 0.004 . 2 . . . . . 85 G HA3 . 27458 1 931 . 1 1 85 85 GLY C C 13 174.086 0.000 . 1 . . . . . 85 G C . 27458 1 932 . 1 1 85 85 GLY CA C 13 45.558 0.066 . 1 . . . . . 85 G CA . 27458 1 933 . 1 1 85 85 GLY N N 15 103.164 0.176 . 1 . . . . . 85 G N . 27458 1 934 . 1 1 86 86 ARG H H 1 7.808 0.008 . 1 . . . . . 86 R H . 27458 1 935 . 1 1 86 86 ARG HA H 1 4.574 0.002 . 1 . . . . . 86 R HA . 27458 1 936 . 1 1 86 86 ARG HB2 H 1 1.728 0.008 . 2 . . . . . 86 R HB2 . 27458 1 937 . 1 1 86 86 ARG HB3 H 1 1.893 0.006 . 2 . . . . . 86 R HB3 . 27458 1 938 . 1 1 86 86 ARG HG2 H 1 1.554 0.002 . 2 . . . . . 86 R HG2 . 27458 1 939 . 1 1 86 86 ARG HG3 H 1 1.688 0.003 . 2 . . . . . 86 R HG3 . 27458 1 940 . 1 1 86 86 ARG HD2 H 1 3.295 0.005 . 2 . . . . . 86 R HD2 . 27458 1 941 . 1 1 86 86 ARG HD3 H 1 3.316 0.001 . 2 . . . . . 86 R HD3 . 27458 1 942 . 1 1 86 86 ARG C C 13 174.481 0.000 . 1 . . . . . 86 R C . 27458 1 943 . 1 1 86 86 ARG CA C 13 54.709 0.063 . 1 . . . . . 86 R CA . 27458 1 944 . 1 1 86 86 ARG CB C 13 32.609 0.065 . 1 . . . . . 86 R CB . 27458 1 945 . 1 1 86 86 ARG CG C 13 27.277 0.031 . 1 . . . . . 86 R CG . 27458 1 946 . 1 1 86 86 ARG CD C 13 43.582 0.037 . 1 . . . . . 86 R CD . 27458 1 947 . 1 1 86 86 ARG N N 15 120.970 0.069 . 1 . . . . . 86 R N . 27458 1 948 . 1 1 87 87 ARG H H 1 8.231 0.006 . 1 . . . . . 87 R H . 27458 1 949 . 1 1 87 87 ARG HA H 1 4.908 0.006 . 1 . . . . . 87 R HA . 27458 1 950 . 1 1 87 87 ARG HB2 H 1 1.502 0.005 . 2 . . . . . 87 R HB2 . 27458 1 951 . 1 1 87 87 ARG HB3 H 1 1.548 0.009 . 2 . . . . . 87 R HB3 . 27458 1 952 . 1 1 87 87 ARG HG2 H 1 1.309 0.004 . 2 . . . . . 87 R HG2 . 27458 1 953 . 1 1 87 87 ARG HG3 H 1 1.452 0.004 . 2 . . . . . 87 R HG3 . 27458 1 954 . 1 1 87 87 ARG HD2 H 1 3.063 0.003 . 2 . . . . . 87 R HD2 . 27458 1 955 . 1 1 87 87 ARG HD3 H 1 3.063 0.003 . 2 . . . . . 87 R HD3 . 27458 1 956 . 1 1 87 87 ARG HE H 1 7.207 0.005 . 1 . . . . . 87 R HE . 27458 1 957 . 1 1 87 87 ARG C C 13 175.226 0.000 . 1 . . . . . 87 R C . 27458 1 958 . 1 1 87 87 ARG CA C 13 55.248 0.102 . 1 . . . . . 87 R CA . 27458 1 959 . 1 1 87 87 ARG CB C 13 32.314 0.053 . 1 . . . . . 87 R CB . 27458 1 960 . 1 1 87 87 ARG CG C 13 27.954 0.068 . 1 . . . . . 87 R CG . 27458 1 961 . 1 1 87 87 ARG CD C 13 43.231 0.056 . 1 . . . . . 87 R CD . 27458 1 962 . 1 1 87 87 ARG CZ C 13 159.585 0.000 . 1 . . . . . 87 R CZ . 27458 1 963 . 1 1 87 87 ARG N N 15 120.742 0.020 . 1 . . . . . 87 R N . 27458 1 964 . 1 1 87 87 ARG NE N 15 84.891 0.000 . 1 . . . . . 87 R NE . 27458 1 965 . 1 1 88 88 HIS H H 1 8.969 0.005 . 1 . . . . . 88 H H . 27458 1 966 . 1 1 88 88 HIS HA H 1 4.811 0.016 . 1 . . . . . 88 H HA . 27458 1 967 . 1 1 88 88 HIS HB2 H 1 2.703 0.005 . 2 . . . . . 88 H HB2 . 27458 1 968 . 1 1 88 88 HIS HB3 H 1 2.960 0.003 . 2 . . . . . 88 H HB3 . 27458 1 969 . 1 1 88 88 HIS C C 13 174.081 0.000 . 1 . . . . . 88 H C . 27458 1 970 . 1 1 88 88 HIS CA C 13 54.948 0.096 . 1 . . . . . 88 H CA . 27458 1 971 . 1 1 88 88 HIS CB C 13 33.699 0.049 . 1 . . . . . 88 H CB . 27458 1 972 . 1 1 88 88 HIS N N 15 122.496 0.040 . 1 . . . . . 88 H N . 27458 1 973 . 1 1 89 89 GLU H H 1 8.997 0.005 . 1 . . . . . 89 E H . 27458 1 974 . 1 1 89 89 GLU HA H 1 5.217 0.003 . 1 . . . . . 89 E HA . 27458 1 975 . 1 1 89 89 GLU HB2 H 1 1.926 0.009 . 2 . . . . . 89 E HB2 . 27458 1 976 . 1 1 89 89 GLU HG2 H 1 1.976 0.003 . 2 . . . . . 89 E HG2 . 27458 1 977 . 1 1 89 89 GLU HG3 H 1 2.216 0.002 . 2 . . . . . 89 E HG3 . 27458 1 978 . 1 1 89 89 GLU C C 13 175.212 0.000 . 1 . . . . . 89 E C . 27458 1 979 . 1 1 89 89 GLU CA C 13 55.850 0.044 . 1 . . . . . 89 E CA . 27458 1 980 . 1 1 89 89 GLU CB C 13 31.935 0.032 . 1 . . . . . 89 E CB . 27458 1 981 . 1 1 89 89 GLU CG C 13 37.285 0.088 . 1 . . . . . 89 E CG . 27458 1 982 . 1 1 89 89 GLU N N 15 124.292 0.092 . 1 . . . . . 89 E N . 27458 1 983 . 1 1 90 90 LEU H H 1 9.016 0.007 . 1 . . . . . 90 L H . 27458 1 984 . 1 1 90 90 LEU HA H 1 4.721 0.002 . 1 . . . . . 90 L HA . 27458 1 985 . 1 1 90 90 LEU HB2 H 1 1.316 0.003 . 2 . . . . . 90 L HB2 . 27458 1 986 . 1 1 90 90 LEU HB3 H 1 1.316 0.003 . 2 . . . . . 90 L HB3 . 27458 1 987 . 1 1 90 90 LEU HG H 1 1.500 0.003 . 1 . . . . . 90 L HG . 27458 1 988 . 1 1 90 90 LEU HD11 H 1 0.843 0.006 . 2 . . . . . 90 L MD1 . 27458 1 989 . 1 1 90 90 LEU HD12 H 1 0.843 0.006 . 2 . . . . . 90 L MD1 . 27458 1 990 . 1 1 90 90 LEU HD13 H 1 0.843 0.006 . 2 . . . . . 90 L MD1 . 27458 1 991 . 1 1 90 90 LEU HD21 H 1 0.821 0.007 . 2 . . . . . 90 L MD2 . 27458 1 992 . 1 1 90 90 LEU HD22 H 1 0.821 0.007 . 2 . . . . . 90 L MD2 . 27458 1 993 . 1 1 90 90 LEU HD23 H 1 0.821 0.007 . 2 . . . . . 90 L MD2 . 27458 1 994 . 1 1 90 90 LEU C C 13 173.952 0.000 . 1 . . . . . 90 L C . 27458 1 995 . 1 1 90 90 LEU CA C 13 53.853 0.050 . 1 . . . . . 90 L CA . 27458 1 996 . 1 1 90 90 LEU CB C 13 45.868 0.030 . 1 . . . . . 90 L CB . 27458 1 997 . 1 1 90 90 LEU CG C 13 27.398 0.063 . 1 . . . . . 90 L CG . 27458 1 998 . 1 1 90 90 LEU CD1 C 13 25.516 0.087 . 2 . . . . . 90 L CD1 . 27458 1 999 . 1 1 90 90 LEU CD2 C 13 24.964 0.090 . 2 . . . . . 90 L CD2 . 27458 1 1000 . 1 1 90 90 LEU N N 15 125.236 0.051 . 1 . . . . . 90 L N . 27458 1 1001 . 1 1 91 91 LEU H H 1 8.437 0.004 . 1 . . . . . 91 L H . 27458 1 1002 . 1 1 91 91 LEU HA H 1 5.167 0.003 . 1 . . . . . 91 L HA . 27458 1 1003 . 1 1 91 91 LEU HB2 H 1 1.565 0.006 . 2 . . . . . 91 L HB2 . 27458 1 1004 . 1 1 91 91 LEU HB3 H 1 1.662 0.005 . 2 . . . . . 91 L HB3 . 27458 1 1005 . 1 1 91 91 LEU HG H 1 1.673 0.002 . 1 . . . . . 91 L HG . 27458 1 1006 . 1 1 91 91 LEU HD11 H 1 0.943 0.003 . 2 . . . . . 91 L MD1 . 27458 1 1007 . 1 1 91 91 LEU HD12 H 1 0.943 0.003 . 2 . . . . . 91 L MD1 . 27458 1 1008 . 1 1 91 91 LEU HD13 H 1 0.943 0.003 . 2 . . . . . 91 L MD1 . 27458 1 1009 . 1 1 91 91 LEU HD21 H 1 0.951 0.004 . 2 . . . . . 91 L MD2 . 27458 1 1010 . 1 1 91 91 LEU HD22 H 1 0.951 0.004 . 2 . . . . . 91 L MD2 . 27458 1 1011 . 1 1 91 91 LEU HD23 H 1 0.951 0.004 . 2 . . . . . 91 L MD2 . 27458 1 1012 . 1 1 91 91 LEU C C 13 176.758 0.000 . 1 . . . . . 91 L C . 27458 1 1013 . 1 1 91 91 LEU CA C 13 52.938 0.032 . 1 . . . . . 91 L CA . 27458 1 1014 . 1 1 91 91 LEU CB C 13 45.570 0.034 . 1 . . . . . 91 L CB . 27458 1 1015 . 1 1 91 91 LEU CG C 13 28.105 0.037 . 1 . . . . . 91 L CG . 27458 1 1016 . 1 1 91 91 LEU CD1 C 13 25.459 0.093 . 2 . . . . . 91 L CD1 . 27458 1 1017 . 1 1 91 91 LEU CD2 C 13 24.599 0.015 . 2 . . . . . 91 L CD2 . 27458 1 1018 . 1 1 91 91 LEU N N 15 124.575 0.075 . 1 . . . . . 91 L N . 27458 1 1019 . 1 1 92 92 SER H H 1 8.589 0.004 . 1 . . . . . 92 S H . 27458 1 1020 . 1 1 92 92 SER HA H 1 4.183 0.005 . 1 . . . . . 92 S HA . 27458 1 1021 . 1 1 92 92 SER HB2 H 1 3.715 0.004 . 2 . . . . . 92 S HB2 . 27458 1 1022 . 1 1 92 92 SER HB3 H 1 4.008 0.004 . 2 . . . . . 92 S HB3 . 27458 1 1023 . 1 1 92 92 SER CA C 13 56.221 0.055 . 1 . . . . . 92 S CA . 27458 1 1024 . 1 1 92 92 SER CB C 13 62.667 0.072 . 1 . . . . . 92 S CB . 27458 1 1025 . 1 1 92 92 SER N N 15 116.275 0.068 . 1 . . . . . 92 S N . 27458 1 1026 . 1 1 93 93 PRO HA H 1 5.565 0.004 . 1 . . . . . 93 P HA . 27458 1 1027 . 1 1 93 93 PRO HB2 H 1 2.087 0.006 . 2 . . . . . 93 P HB2 . 27458 1 1028 . 1 1 93 93 PRO HB3 H 1 2.790 0.004 . 2 . . . . . 93 P HB3 . 27458 1 1029 . 1 1 93 93 PRO HG2 H 1 2.227 0.009 . 2 . . . . . 93 P HG2 . 27458 1 1030 . 1 1 93 93 PRO HG3 H 1 2.363 0.005 . 2 . . . . . 93 P HG3 . 27458 1 1031 . 1 1 93 93 PRO HD2 H 1 3.824 0.005 . 2 . . . . . 93 P HD2 . 27458 1 1032 . 1 1 93 93 PRO HD3 H 1 4.046 0.007 . 2 . . . . . 93 P HD3 . 27458 1 1033 . 1 1 93 93 PRO C C 13 174.852 0.000 . 1 . . . . . 93 P C . 27458 1 1034 . 1 1 93 93 PRO CA C 13 61.639 0.063 . 1 . . . . . 93 P CA . 27458 1 1035 . 1 1 93 93 PRO CB C 13 34.297 0.072 . 1 . . . . . 93 P CB . 27458 1 1036 . 1 1 93 93 PRO CG C 13 24.989 0.049 . 1 . . . . . 93 P CG . 27458 1 1037 . 1 1 93 93 PRO CD C 13 50.687 0.070 . 1 . . . . . 93 P CD . 27458 1 1038 . 1 1 94 94 ALA H H 1 8.827 0.005 . 1 . . . . . 94 A H . 27458 1 1039 . 1 1 94 94 ALA HA H 1 5.058 0.002 . 1 . . . . . 94 A HA . 27458 1 1040 . 1 1 94 94 ALA HB1 H 1 1.510 0.002 . 1 . . . . . 94 A MB . 27458 1 1041 . 1 1 94 94 ALA HB2 H 1 1.510 0.002 . 1 . . . . . 94 A MB . 27458 1 1042 . 1 1 94 94 ALA HB3 H 1 1.510 0.002 . 1 . . . . . 94 A MB . 27458 1 1043 . 1 1 94 94 ALA C C 13 175.013 0.000 . 1 . . . . . 94 A C . 27458 1 1044 . 1 1 94 94 ALA CA C 13 52.272 0.036 . 1 . . . . . 94 A CA . 27458 1 1045 . 1 1 94 94 ALA CB C 13 24.427 0.025 . 1 . . . . . 94 A CB . 27458 1 1046 . 1 1 94 94 ALA N N 15 121.317 0.044 . 1 . . . . . 94 A N . 27458 1 1047 . 1 1 95 95 VAL H H 1 8.195 0.008 . 1 . . . . . 95 V H . 27458 1 1048 . 1 1 95 95 VAL HA H 1 5.766 0.002 . 1 . . . . . 95 V HA . 27458 1 1049 . 1 1 95 95 VAL HB H 1 2.014 0.003 . 1 . . . . . 95 V HB . 27458 1 1050 . 1 1 95 95 VAL HG11 H 1 1.150 0.002 . 2 . . . . . 95 V MG1 . 27458 1 1051 . 1 1 95 95 VAL HG12 H 1 1.150 0.002 . 2 . . . . . 95 V MG1 . 27458 1 1052 . 1 1 95 95 VAL HG13 H 1 1.150 0.002 . 2 . . . . . 95 V MG1 . 27458 1 1053 . 1 1 95 95 VAL HG21 H 1 1.156 0.003 . 2 . . . . . 95 V MG2 . 27458 1 1054 . 1 1 95 95 VAL HG22 H 1 1.156 0.003 . 2 . . . . . 95 V MG2 . 27458 1 1055 . 1 1 95 95 VAL HG23 H 1 1.156 0.003 . 2 . . . . . 95 V MG2 . 27458 1 1056 . 1 1 95 95 VAL C C 13 174.049 0.000 . 1 . . . . . 95 V C . 27458 1 1057 . 1 1 95 95 VAL CA C 13 59.434 0.034 . 1 . . . . . 95 V CA . 27458 1 1058 . 1 1 95 95 VAL CB C 13 36.148 0.034 . 1 . . . . . 95 V CB . 27458 1 1059 . 1 1 95 95 VAL CG1 C 13 22.925 0.066 . 2 . . . . . 95 V CG1 . 27458 1 1060 . 1 1 95 95 VAL CG2 C 13 22.105 0.046 . 2 . . . . . 95 V CG2 . 27458 1 1061 . 1 1 95 95 VAL N N 15 116.827 0.045 . 1 . . . . . 95 V N . 27458 1 1062 . 1 1 96 96 MET H H 1 8.745 0.006 . 1 . . . . . 96 M H . 27458 1 1063 . 1 1 96 96 MET HA H 1 5.501 0.003 . 1 . . . . . 96 M HA . 27458 1 1064 . 1 1 96 96 MET HB2 H 1 1.763 0.004 . 2 . . . . . 96 M HB2 . 27458 1 1065 . 1 1 96 96 MET HB3 H 1 1.952 0.005 . 2 . . . . . 96 M HB3 . 27458 1 1066 . 1 1 96 96 MET HG2 H 1 2.225 0.004 . 2 . . . . . 96 M HG2 . 27458 1 1067 . 1 1 96 96 MET HG3 H 1 2.361 0.005 . 2 . . . . . 96 M HG3 . 27458 1 1068 . 1 1 96 96 MET C C 13 173.574 0.000 . 1 . . . . . 96 M C . 27458 1 1069 . 1 1 96 96 MET CA C 13 53.692 0.039 . 1 . . . . . 96 M CA . 27458 1 1070 . 1 1 96 96 MET CB C 13 38.417 0.047 . 1 . . . . . 96 M CB . 27458 1 1071 . 1 1 96 96 MET CG C 13 32.637 0.055 . 1 . . . . . 96 M CG . 27458 1 1072 . 1 1 96 96 MET N N 15 125.607 0.086 . 1 . . . . . 96 M N . 27458 1 1073 . 1 1 97 97 ARG H H 1 8.046 0.003 . 1 . . . . . 97 R H . 27458 1 1074 . 1 1 97 97 ARG HA H 1 4.291 0.008 . 1 . . . . . 97 R HA . 27458 1 1075 . 1 1 97 97 ARG HB2 H 1 0.030 0.010 . 2 . . . . . 97 R HB2 . 27458 1 1076 . 1 1 97 97 ARG HB3 H 1 1.296 0.010 . 2 . . . . . 97 R HB3 . 27458 1 1077 . 1 1 97 97 ARG HG2 H 1 0.785 0.009 . 2 . . . . . 97 R HG2 . 27458 1 1078 . 1 1 97 97 ARG HG3 H 1 0.785 0.009 . 2 . . . . . 97 R HG3 . 27458 1 1079 . 1 1 97 97 ARG HD2 H 1 2.448 0.004 . 2 . . . . . 97 R HD2 . 27458 1 1080 . 1 1 97 97 ARG HD3 H 1 2.943 0.004 . 2 . . . . . 97 R HD3 . 27458 1 1081 . 1 1 97 97 ARG HE H 1 7.335 0.004 . 1 . . . . . 97 R HE . 27458 1 1082 . 1 1 97 97 ARG C C 13 173.078 0.000 . 1 . . . . . 97 R C . 27458 1 1083 . 1 1 97 97 ARG CA C 13 55.486 0.094 . 1 . . . . . 97 R CA . 27458 1 1084 . 1 1 97 97 ARG CB C 13 30.757 0.103 . 1 . . . . . 97 R CB . 27458 1 1085 . 1 1 97 97 ARG CG C 13 28.802 0.049 . 1 . . . . . 97 R CG . 27458 1 1086 . 1 1 97 97 ARG CD C 13 43.204 0.038 . 1 . . . . . 97 R CD . 27458 1 1087 . 1 1 97 97 ARG CZ C 13 159.436 0.000 . 1 . . . . . 97 R CZ . 27458 1 1088 . 1 1 97 97 ARG N N 15 126.148 0.091 . 1 . . . . . 97 R N . 27458 1 1089 . 1 1 97 97 ARG NE N 15 84.066 0.000 . 1 . . . . . 97 R NE . 27458 1 1090 . 1 1 98 98 ILE H H 1 9.459 0.004 . 1 . . . . . 98 I H . 27458 1 1091 . 1 1 98 98 ILE HA H 1 4.281 0.003 . 1 . . . . . 98 I HA . 27458 1 1092 . 1 1 98 98 ILE HB H 1 1.802 0.005 . 1 . . . . . 98 I HB . 27458 1 1093 . 1 1 98 98 ILE HG12 H 1 0.698 0.069 . 2 . . . . . 98 I HG12 . 27458 1 1094 . 1 1 98 98 ILE HG13 H 1 0.386 0.087 . 2 . . . . . 98 I HG13 . 27458 1 1095 . 1 1 98 98 ILE HG21 H 1 -0.332 0.002 . 1 . . . . . 98 I HG2 . 27458 1 1096 . 1 1 98 98 ILE HG22 H 1 -0.332 0.002 . 1 . . . . . 98 I HG2 . 27458 1 1097 . 1 1 98 98 ILE HG23 H 1 -0.332 0.002 . 1 . . . . . 98 I HG2 . 27458 1 1098 . 1 1 98 98 ILE HD11 H 1 0.267 0.065 . 1 . . . . . 98 I MD . 27458 1 1099 . 1 1 98 98 ILE HD12 H 1 0.267 0.065 . 1 . . . . . 98 I MD . 27458 1 1100 . 1 1 98 98 ILE HD13 H 1 0.267 0.065 . 1 . . . . . 98 I MD . 27458 1 1101 . 1 1 98 98 ILE CA C 13 55.732 0.042 . 1 . . . . . 98 I CA . 27458 1 1102 . 1 1 98 98 ILE CB C 13 36.174 0.038 . 1 . . . . . 98 I CB . 27458 1 1103 . 1 1 98 98 ILE CG1 C 13 24.826 0.082 . 1 . . . . . 98 I CG1 . 27458 1 1104 . 1 1 98 98 ILE CG2 C 13 14.908 0.025 . 1 . . . . . 98 I CG2 . 27458 1 1105 . 1 1 98 98 ILE CD1 C 13 10.531 0.022 . 1 . . . . . 98 I CD . 27458 1 1106 . 1 1 98 98 ILE N N 15 128.772 0.098 . 1 . . . . . 98 I N . 27458 1 1107 . 1 1 99 99 PRO HA H 1 4.068 0.005 . 1 . . . . . 99 P HA . 27458 1 1108 . 1 1 99 99 PRO HB2 H 1 1.834 0.000 . 2 . . . . . 99 P HB2 . 27458 1 1109 . 1 1 99 99 PRO HB3 H 1 2.249 0.004 . 2 . . . . . 99 P HB3 . 27458 1 1110 . 1 1 99 99 PRO HG2 H 1 1.694 0.004 . 2 . . . . . 99 P HG2 . 27458 1 1111 . 1 1 99 99 PRO HG3 H 1 2.068 0.001 . 2 . . . . . 99 P HG3 . 27458 1 1112 . 1 1 99 99 PRO HD2 H 1 3.430 0.003 . 2 . . . . . 99 P HD2 . 27458 1 1113 . 1 1 99 99 PRO HD3 H 1 3.929 0.003 . 2 . . . . . 99 P HD3 . 27458 1 1114 . 1 1 99 99 PRO C C 13 176.279 0.000 . 1 . . . . . 99 P C . 27458 1 1115 . 1 1 99 99 PRO CA C 13 62.719 0.085 . 1 . . . . . 99 P CA . 27458 1 1116 . 1 1 99 99 PRO CB C 13 32.368 0.076 . 1 . . . . . 99 P CB . 27458 1 1117 . 1 1 99 99 PRO CG C 13 27.967 0.026 . 1 . . . . . 99 P CG . 27458 1 1118 . 1 1 99 99 PRO CD C 13 51.338 0.068 . 1 . . . . . 99 P CD . 27458 1 1119 . 1 1 100 100 ALA H H 1 9.104 0.006 . 1 . . . . . 100 A H . 27458 1 1120 . 1 1 100 100 ALA HA H 1 3.920 0.003 . 1 . . . . . 100 A HA . 27458 1 1121 . 1 1 100 100 ALA HB1 H 1 1.073 0.002 . 1 . . . . . 100 A MB . 27458 1 1122 . 1 1 100 100 ALA HB2 H 1 1.073 0.002 . 1 . . . . . 100 A MB . 27458 1 1123 . 1 1 100 100 ALA HB3 H 1 1.073 0.002 . 1 . . . . . 100 A MB . 27458 1 1124 . 1 1 100 100 ALA C C 13 178.712 0.000 . 1 . . . . . 100 A C . 27458 1 1125 . 1 1 100 100 ALA CA C 13 53.592 0.027 . 1 . . . . . 100 A CA . 27458 1 1126 . 1 1 100 100 ALA CB C 13 18.303 0.018 . 1 . . . . . 100 A CB . 27458 1 1127 . 1 1 100 100 ALA N N 15 125.458 0.079 . 1 . . . . . 100 A N . 27458 1 1128 . 1 1 101 101 GLY H H 1 8.391 0.018 . 1 . . . . . 101 G H . 27458 1 1129 . 1 1 101 101 GLY HA2 H 1 3.560 0.004 . 2 . . . . . 101 G HA2 . 27458 1 1130 . 1 1 101 101 GLY HA3 H 1 4.361 0.003 . 2 . . . . . 101 G HA3 . 27458 1 1131 . 1 1 101 101 GLY C C 13 174.050 0.000 . 1 . . . . . 101 G C . 27458 1 1132 . 1 1 101 101 GLY CA C 13 45.398 0.046 . 1 . . . . . 101 G CA . 27458 1 1133 . 1 1 101 101 GLY N N 15 111.575 0.078 . 1 . . . . . 101 G N . 27458 1 1134 . 1 1 102 102 SER H H 1 8.261 0.007 . 1 . . . . . 102 S H . 27458 1 1135 . 1 1 102 102 SER HA H 1 4.677 0.003 . 1 . . . . . 102 S HA . 27458 1 1136 . 1 1 102 102 SER HB2 H 1 3.784 0.004 . 2 . . . . . 102 S HB2 . 27458 1 1137 . 1 1 102 102 SER C C 13 175.607 0.000 . 1 . . . . . 102 S C . 27458 1 1138 . 1 1 102 102 SER CA C 13 59.640 0.026 . 1 . . . . . 102 S CA . 27458 1 1139 . 1 1 102 102 SER CB C 13 63.560 0.086 . 1 . . . . . 102 S CB . 27458 1 1140 . 1 1 102 102 SER N N 15 117.446 0.042 . 1 . . . . . 102 S N . 27458 1 1141 . 1 1 103 103 GLU H H 1 9.405 0.284 . 1 . . . . . 103 E H . 27458 1 1142 . 1 1 103 103 GLU HA H 1 4.132 0.004 . 1 . . . . . 103 E HA . 27458 1 1143 . 1 1 103 103 GLU HB2 H 1 1.941 0.006 . 2 . . . . . 103 E HB2 . 27458 1 1144 . 1 1 103 103 GLU HB3 H 1 1.941 0.006 . 2 . . . . . 103 E HB3 . 27458 1 1145 . 1 1 103 103 GLU HG2 H 1 1.859 0.006 . 2 . . . . . 103 E HG2 . 27458 1 1146 . 1 1 103 103 GLU HG3 H 1 1.939 0.004 . 2 . . . . . 103 E HG3 . 27458 1 1147 . 1 1 103 103 GLU CA C 13 56.568 0.045 . 1 . . . . . 103 E CA . 27458 1 1148 . 1 1 103 103 GLU CB C 13 30.353 0.055 . 1 . . . . . 103 E CB . 27458 1 1149 . 1 1 103 103 GLU CG C 13 37.615 0.028 . 1 . . . . . 103 E CG . 27458 1 1150 . 1 1 103 103 GLU N N 15 132.396 0.171 . 1 . . . . . 103 E N . 27458 1 1151 . 1 1 104 104 HIS HA H 1 5.947 0.004 . 1 . . . . . 104 H HA . 27458 1 1152 . 1 1 104 104 HIS HB2 H 1 2.912 0.005 . 2 . . . . . 104 H HB2 . 27458 1 1153 . 1 1 104 104 HIS HB3 H 1 3.212 0.010 . 2 . . . . . 104 H HB3 . 27458 1 1154 . 1 1 104 104 HIS C C 13 172.640 0.000 . 1 . . . . . 104 H C . 27458 1 1155 . 1 1 104 104 HIS CA C 13 56.113 0.087 . 1 . . . . . 104 H CA . 27458 1 1156 . 1 1 104 104 HIS CB C 13 33.500 0.042 . 1 . . . . . 104 H CB . 27458 1 1157 . 1 1 105 105 CYS H H 1 8.429 0.004 . 1 . . . . . 105 C H . 27458 1 1158 . 1 1 105 105 CYS HA H 1 4.868 0.010 . 1 . . . . . 105 C HA . 27458 1 1159 . 1 1 105 105 CYS HB2 H 1 3.203 0.002 . 2 . . . . . 105 C HB2 . 27458 1 1160 . 1 1 105 105 CYS HB3 H 1 3.553 0.007 . 2 . . . . . 105 C HB3 . 27458 1 1161 . 1 1 105 105 CYS C C 13 172.528 0.000 . 1 . . . . . 105 C C . 27458 1 1162 . 1 1 105 105 CYS CA C 13 55.709 0.036 . 1 . . . . . 105 C CA . 27458 1 1163 . 1 1 105 105 CYS CB C 13 42.905 0.044 . 1 . . . . . 105 C CB . 27458 1 1164 . 1 1 105 105 CYS N N 15 110.219 0.109 . 1 . . . . . 105 C N . 27458 1 1165 . 1 1 106 106 PHE H H 1 8.545 0.005 . 1 . . . . . 106 F H . 27458 1 1166 . 1 1 106 106 PHE HA H 1 6.147 0.006 . 1 . . . . . 106 F HA . 27458 1 1167 . 1 1 106 106 PHE HB2 H 1 2.898 0.008 . 2 . . . . . 106 F HB2 . 27458 1 1168 . 1 1 106 106 PHE HB3 H 1 2.939 0.004 . 2 . . . . . 106 F HB3 . 27458 1 1169 . 1 1 106 106 PHE C C 13 173.914 0.000 . 1 . . . . . 106 F C . 27458 1 1170 . 1 1 106 106 PHE CA C 13 55.754 0.084 . 1 . . . . . 106 F CA . 27458 1 1171 . 1 1 106 106 PHE CB C 13 43.747 0.133 . 1 . . . . . 106 F CB . 27458 1 1172 . 1 1 106 106 PHE N N 15 115.711 0.061 . 1 . . . . . 106 F N . 27458 1 1173 . 1 1 107 107 LEU H H 1 9.631 0.005 . 1 . . . . . 107 L H . 27458 1 1174 . 1 1 107 107 LEU HA H 1 4.358 0.007 . 1 . . . . . 107 L HA . 27458 1 1175 . 1 1 107 107 LEU HB2 H 1 1.222 0.004 . 2 . . . . . 107 L HB2 . 27458 1 1176 . 1 1 107 107 LEU HB3 H 1 1.799 0.008 . 2 . . . . . 107 L HB3 . 27458 1 1177 . 1 1 107 107 LEU HG H 1 1.349 0.008 . 1 . . . . . 107 L HG . 27458 1 1178 . 1 1 107 107 LEU HD11 H 1 0.799 0.003 . 2 . . . . . 107 L MD1 . 27458 1 1179 . 1 1 107 107 LEU HD12 H 1 0.799 0.003 . 2 . . . . . 107 L MD1 . 27458 1 1180 . 1 1 107 107 LEU HD13 H 1 0.799 0.003 . 2 . . . . . 107 L MD1 . 27458 1 1181 . 1 1 107 107 LEU HD21 H 1 0.753 0.012 . 2 . . . . . 107 L MD2 . 27458 1 1182 . 1 1 107 107 LEU HD22 H 1 0.753 0.012 . 2 . . . . . 107 L MD2 . 27458 1 1183 . 1 1 107 107 LEU HD23 H 1 0.753 0.012 . 2 . . . . . 107 L MD2 . 27458 1 1184 . 1 1 107 107 LEU C C 13 175.209 0.000 . 1 . . . . . 107 L C . 27458 1 1185 . 1 1 107 107 LEU CA C 13 53.750 0.076 . 1 . . . . . 107 L CA . 27458 1 1186 . 1 1 107 107 LEU CB C 13 47.048 0.108 . 1 . . . . . 107 L CB . 27458 1 1187 . 1 1 107 107 LEU CG C 13 27.125 0.065 . 1 . . . . . 107 L CG . 27458 1 1188 . 1 1 107 107 LEU CD1 C 13 25.672 0.094 . 2 . . . . . 107 L CD1 . 27458 1 1189 . 1 1 107 107 LEU CD2 C 13 23.461 0.048 . 2 . . . . . 107 L CD2 . 27458 1 1190 . 1 1 107 107 LEU N N 15 126.923 0.110 . 1 . . . . . 107 L N . 27458 1 1191 . 1 1 108 108 THR H H 1 8.998 0.006 . 1 . . . . . 108 T H . 27458 1 1192 . 1 1 108 108 THR HA H 1 4.198 0.004 . 1 . . . . . 108 T HA . 27458 1 1193 . 1 1 108 108 THR HB H 1 4.087 0.002 . 1 . . . . . 108 T HB . 27458 1 1194 . 1 1 108 108 THR HG21 H 1 1.076 0.002 . 1 . . . . . 108 T MG . 27458 1 1195 . 1 1 108 108 THR HG22 H 1 1.076 0.002 . 1 . . . . . 108 T MG . 27458 1 1196 . 1 1 108 108 THR HG23 H 1 1.076 0.002 . 1 . . . . . 108 T MG . 27458 1 1197 . 1 1 108 108 THR C C 13 173.685 0.000 . 1 . . . . . 108 T C . 27458 1 1198 . 1 1 108 108 THR CA C 13 65.768 0.484 . 1 . . . . . 108 T CA . 27458 1 1199 . 1 1 108 108 THR CB C 13 67.630 0.043 . 1 . . . . . 108 T CB . 27458 1 1200 . 1 1 108 108 THR CG2 C 13 22.583 0.138 . 1 . . . . . 108 T CG . 27458 1 1201 . 1 1 108 108 THR N N 15 125.598 0.144 . 1 . . . . . 108 T N . 27458 1 1202 . 1 1 109 109 LEU H H 1 8.813 0.016 . 1 . . . . . 109 L H . 27458 1 1203 . 1 1 109 109 LEU HA H 1 4.514 0.005 . 1 . . . . . 109 L HA . 27458 1 1204 . 1 1 109 109 LEU HB2 H 1 1.488 0.004 . 2 . . . . . 109 L HB2 . 27458 1 1205 . 1 1 109 109 LEU HD11 H 1 0.780 0.002 . 2 . . . . . 109 L MD1 . 27458 1 1206 . 1 1 109 109 LEU HD12 H 1 0.780 0.002 . 2 . . . . . 109 L MD1 . 27458 1 1207 . 1 1 109 109 LEU HD13 H 1 0.780 0.002 . 2 . . . . . 109 L MD1 . 27458 1 1208 . 1 1 109 109 LEU HD21 H 1 0.755 0.006 . 2 . . . . . 109 L MD2 . 27458 1 1209 . 1 1 109 109 LEU HD22 H 1 0.755 0.006 . 2 . . . . . 109 L MD2 . 27458 1 1210 . 1 1 109 109 LEU HD23 H 1 0.755 0.006 . 2 . . . . . 109 L MD2 . 27458 1 1211 . 1 1 109 109 LEU C C 13 176.879 0.000 . 1 . . . . . 109 L C . 27458 1 1212 . 1 1 109 109 LEU CA C 13 55.835 0.080 . 1 . . . . . 109 L CA . 27458 1 1213 . 1 1 109 109 LEU CB C 13 42.432 0.070 . 1 . . . . . 109 L CB . 27458 1 1214 . 1 1 109 109 LEU CD1 C 13 25.755 0.044 . 1 . . . . . 109 L CD1 . 27458 1 1215 . 1 1 109 109 LEU CD2 C 13 21.896 0.018 . 1 . . . . . 109 L CD2 . 27458 1 1216 . 1 1 109 109 LEU N N 15 128.827 0.137 . 1 . . . . . 109 L N . 27458 1 1217 . 1 1 110 110 GLU H H 1 8.057 0.007 . 1 . . . . . 110 E H . 27458 1 1218 . 1 1 110 110 GLU HA H 1 4.315 0.003 . 1 . . . . . 110 E HA . 27458 1 1219 . 1 1 110 110 GLU HB2 H 1 1.861 0.007 . 2 . . . . . 110 E HB2 . 27458 1 1220 . 1 1 110 110 GLU HB3 H 1 1.965 0.007 . 2 . . . . . 110 E HB3 . 27458 1 1221 . 1 1 110 110 GLU HG2 H 1 2.120 0.011 . 2 . . . . . 110 E HG2 . 27458 1 1222 . 1 1 110 110 GLU HG3 H 1 2.172 0.006 . 2 . . . . . 110 E HG3 . 27458 1 1223 . 1 1 110 110 GLU C C 13 174.038 0.000 . 1 . . . . . 110 E C . 27458 1 1224 . 1 1 110 110 GLU CA C 13 55.904 0.048 . 1 . . . . . 110 E CA . 27458 1 1225 . 1 1 110 110 GLU CB C 13 33.461 0.032 . 1 . . . . . 110 E CB . 27458 1 1226 . 1 1 110 110 GLU CG C 13 36.215 0.083 . 1 . . . . . 110 E CG . 27458 1 1227 . 1 1 110 110 GLU N N 15 117.732 0.055 . 1 . . . . . 110 E N . 27458 1 1228 . 1 1 111 111 ALA H H 1 8.939 0.006 . 1 . . . . . 111 A H . 27458 1 1229 . 1 1 111 111 ALA HA H 1 4.731 0.004 . 1 . . . . . 111 A HA . 27458 1 1230 . 1 1 111 111 ALA HB1 H 1 1.019 0.009 . 1 . . . . . 111 A MB . 27458 1 1231 . 1 1 111 111 ALA HB2 H 1 1.019 0.009 . 1 . . . . . 111 A MB . 27458 1 1232 . 1 1 111 111 ALA HB3 H 1 1.019 0.009 . 1 . . . . . 111 A MB . 27458 1 1233 . 1 1 111 111 ALA C C 13 174.319 0.000 . 1 . . . . . 111 A C . 27458 1 1234 . 1 1 111 111 ALA CA C 13 53.114 0.047 . 1 . . . . . 111 A CA . 27458 1 1235 . 1 1 111 111 ALA CB C 13 21.616 0.043 . 1 . . . . . 111 A CB . 27458 1 1236 . 1 1 111 111 ALA N N 15 124.670 0.061 . 1 . . . . . 111 A N . 27458 1 1237 . 1 1 112 112 GLU H H 1 7.680 0.009 . 1 . . . . . 112 E H . 27458 1 1238 . 1 1 112 112 GLU HA H 1 4.588 0.009 . 1 . . . . . 112 E HA . 27458 1 1239 . 1 1 112 112 GLU HB2 H 1 1.907 0.009 . 2 . . . . . 112 E HB2 . 27458 1 1240 . 1 1 112 112 GLU HB3 H 1 2.318 0.006 . 2 . . . . . 112 E HB3 . 27458 1 1241 . 1 1 112 112 GLU HG2 H 1 1.895 0.013 . 2 . . . . . 112 E HG2 . 27458 1 1242 . 1 1 112 112 GLU HG3 H 1 2.050 0.005 . 2 . . . . . 112 E HG3 . 27458 1 1243 . 1 1 112 112 GLU C C 13 176.287 0.000 . 1 . . . . . 112 E C . 27458 1 1244 . 1 1 112 112 GLU CA C 13 53.935 0.054 . 1 . . . . . 112 E CA . 27458 1 1245 . 1 1 112 112 GLU CB C 13 30.261 0.037 . 1 . . . . . 112 E CB . 27458 1 1246 . 1 1 112 112 GLU CG C 13 34.692 0.058 . 1 . . . . . 112 E CG . 27458 1 1247 . 1 1 112 112 GLU N N 15 121.771 0.034 . 1 . . . . . 112 E N . 27458 1 1248 . 1 1 113 113 VAL H H 1 8.592 0.004 . 1 . . . . . 113 V H . 27458 1 1249 . 1 1 113 113 VAL HA H 1 3.778 0.002 . 1 . . . . . 113 V HA . 27458 1 1250 . 1 1 113 113 VAL HB H 1 1.865 0.002 . 1 . . . . . 113 V HB . 27458 1 1251 . 1 1 113 113 VAL HG11 H 1 1.061 0.001 . 2 . . . . . 113 V MG1 . 27458 1 1252 . 1 1 113 113 VAL HG12 H 1 1.061 0.001 . 2 . . . . . 113 V MG1 . 27458 1 1253 . 1 1 113 113 VAL HG13 H 1 1.061 0.001 . 2 . . . . . 113 V MG1 . 27458 1 1254 . 1 1 113 113 VAL HG21 H 1 0.823 0.001 . 2 . . . . . 113 V MG2 . 27458 1 1255 . 1 1 113 113 VAL HG22 H 1 0.823 0.001 . 2 . . . . . 113 V MG2 . 27458 1 1256 . 1 1 113 113 VAL HG23 H 1 0.823 0.001 . 2 . . . . . 113 V MG2 . 27458 1 1257 . 1 1 113 113 VAL C C 13 177.175 0.000 . 1 . . . . . 113 V C . 27458 1 1258 . 1 1 113 113 VAL CA C 13 65.217 0.060 . 1 . . . . . 113 V CA . 27458 1 1259 . 1 1 113 113 VAL CB C 13 31.325 0.044 . 1 . . . . . 113 V CB . 27458 1 1260 . 1 1 113 113 VAL CG1 C 13 22.075 0.062 . 2 . . . . . 113 V CG1 . 27458 1 1261 . 1 1 113 113 VAL CG2 C 13 21.081 0.071 . 2 . . . . . 113 V CG2 . 27458 1 1262 . 1 1 113 113 VAL N N 15 123.708 0.066 . 1 . . . . . 113 V N . 27458 1 1263 . 1 1 114 114 GLY H H 1 9.638 0.013 . 1 . . . . . 114 G H . 27458 1 1264 . 1 1 114 114 GLY HA2 H 1 3.524 0.004 . 2 . . . . . 114 G HA2 . 27458 1 1265 . 1 1 114 114 GLY HA3 H 1 4.327 0.003 . 2 . . . . . 114 G HA3 . 27458 1 1266 . 1 1 114 114 GLY C C 13 172.774 0.000 . 1 . . . . . 114 G C . 27458 1 1267 . 1 1 114 114 GLY CA C 13 46.210 0.051 . 1 . . . . . 114 G CA . 27458 1 1268 . 1 1 114 114 GLY N N 15 113.687 0.090 . 1 . . . . . 114 G N . 27458 1 1269 . 1 1 115 115 SER H H 1 7.615 0.009 . 1 . . . . . 115 S H . 27458 1 1270 . 1 1 115 115 SER HA H 1 5.082 0.006 . 1 . . . . . 115 S HA . 27458 1 1271 . 1 1 115 115 SER HB2 H 1 3.440 0.004 . 2 . . . . . 115 S HB2 . 27458 1 1272 . 1 1 115 115 SER HB3 H 1 3.588 0.003 . 2 . . . . . 115 S HB3 . 27458 1 1273 . 1 1 115 115 SER C C 13 173.204 0.000 . 1 . . . . . 115 S C . 27458 1 1274 . 1 1 115 115 SER CA C 13 58.203 0.088 . 1 . . . . . 115 S CA . 27458 1 1275 . 1 1 115 115 SER CB C 13 64.592 0.081 . 1 . . . . . 115 S CB . 27458 1 1276 . 1 1 115 115 SER N N 15 117.265 0.053 . 1 . . . . . 115 S N . 27458 1 1277 . 1 1 116 116 TYR H H 1 9.127 0.011 . 1 . . . . . 116 Y H . 27458 1 1278 . 1 1 116 116 TYR HA H 1 4.702 0.002 . 1 . . . . . 116 Y HA . 27458 1 1279 . 1 1 116 116 TYR HB2 H 1 1.179 0.005 . 2 . . . . . 116 Y HB2 . 27458 1 1280 . 1 1 116 116 TYR HB3 H 1 1.812 0.006 . 2 . . . . . 116 Y HB3 . 27458 1 1281 . 1 1 116 116 TYR C C 13 174.569 0.000 . 1 . . . . . 116 Y C . 27458 1 1282 . 1 1 116 116 TYR CA C 13 57.158 0.037 . 1 . . . . . 116 Y CA . 27458 1 1283 . 1 1 116 116 TYR CB C 13 43.432 0.065 . 1 . . . . . 116 Y CB . 27458 1 1284 . 1 1 116 116 TYR N N 15 122.474 0.053 . 1 . . . . . 116 Y N . 27458 1 1285 . 1 1 117 117 CYS H H 1 7.055 0.007 . 1 . . . . . 117 C H . 27458 1 1286 . 1 1 117 117 CYS HA H 1 5.124 0.002 . 1 . . . . . 117 C HA . 27458 1 1287 . 1 1 117 117 CYS HB2 H 1 2.022 0.004 . 2 . . . . . 117 C HB2 . 27458 1 1288 . 1 1 117 117 CYS HB3 H 1 2.340 0.004 . 2 . . . . . 117 C HB3 . 27458 1 1289 . 1 1 117 117 CYS C C 13 174.393 0.000 . 1 . . . . . 117 C C . 27458 1 1290 . 1 1 117 117 CYS CA C 13 56.193 0.161 . 1 . . . . . 117 C CA . 27458 1 1291 . 1 1 117 117 CYS CB C 13 28.412 0.031 . 1 . . . . . 117 C CB . 27458 1 1292 . 1 1 117 117 CYS N N 15 116.393 0.048 . 1 . . . . . 117 C N . 27458 1 1293 . 1 1 118 118 PHE H H 1 9.216 0.008 . 1 . . . . . 118 F H . 27458 1 1294 . 1 1 118 118 PHE HA H 1 5.465 0.003 . 1 . . . . . 118 F HA . 27458 1 1295 . 1 1 118 118 PHE HB2 H 1 2.452 0.006 . 2 . . . . . 118 F HB2 . 27458 1 1296 . 1 1 118 118 PHE HB3 H 1 2.719 0.004 . 2 . . . . . 118 F HB3 . 27458 1 1297 . 1 1 118 118 PHE C C 13 174.222 0.000 . 1 . . . . . 118 F C . 27458 1 1298 . 1 1 118 118 PHE CA C 13 55.817 0.067 . 1 . . . . . 118 F CA . 27458 1 1299 . 1 1 118 118 PHE CB C 13 41.276 0.026 . 1 . . . . . 118 F CB . 27458 1 1300 . 1 1 118 118 PHE N N 15 128.100 0.125 . 1 . . . . . 118 F N . 27458 1 1301 . 1 1 119 119 GLY H H 1 9.476 0.005 . 1 . . . . . 119 G H . 27458 1 1302 . 1 1 119 119 GLY HA2 H 1 3.649 0.003 . 2 . . . . . 119 G HA2 . 27458 1 1303 . 1 1 119 119 GLY HA3 H 1 5.053 0.004 . 2 . . . . . 119 G HA3 . 27458 1 1304 . 1 1 119 119 GLY C C 13 173.099 0.000 . 1 . . . . . 119 G C . 27458 1 1305 . 1 1 119 119 GLY CA C 13 45.430 0.055 . 1 . . . . . 119 G CA . 27458 1 1306 . 1 1 119 119 GLY N N 15 111.183 0.096 . 1 . . . . . 119 G N . 27458 1 1307 . 1 1 120 120 ILE H H 1 9.590 0.004 . 1 . . . . . 120 I H . 27458 1 1308 . 1 1 120 120 ILE HA H 1 4.154 0.004 . 1 . . . . . 120 I HA . 27458 1 1309 . 1 1 120 120 ILE HB H 1 1.832 0.004 . 1 . . . . . 120 I HB . 27458 1 1310 . 1 1 120 120 ILE HG12 H 1 1.450 0.003 . 2 . . . . . 120 I HG12 . 27458 1 1311 . 1 1 120 120 ILE HG13 H 1 1.156 0.005 . 2 . . . . . 120 I HG13 . 27458 1 1312 . 1 1 120 120 ILE HG21 H 1 0.842 0.004 . 1 . . . . . 120 I HG2 . 27458 1 1313 . 1 1 120 120 ILE HG22 H 1 0.842 0.004 . 1 . . . . . 120 I HG2 . 27458 1 1314 . 1 1 120 120 ILE HG23 H 1 0.842 0.004 . 1 . . . . . 120 I HG2 . 27458 1 1315 . 1 1 120 120 ILE HD11 H 1 0.831 0.003 . 1 . . . . . 120 I MD . 27458 1 1316 . 1 1 120 120 ILE HD12 H 1 0.831 0.003 . 1 . . . . . 120 I MD . 27458 1 1317 . 1 1 120 120 ILE HD13 H 1 0.831 0.003 . 1 . . . . . 120 I MD . 27458 1 1318 . 1 1 120 120 ILE C C 13 174.728 0.000 . 1 . . . . . 120 I C . 27458 1 1319 . 1 1 120 120 ILE CA C 13 60.875 0.062 . 1 . . . . . 120 I CA . 27458 1 1320 . 1 1 120 120 ILE CB C 13 38.486 0.127 . 1 . . . . . 120 I CB . 27458 1 1321 . 1 1 120 120 ILE CG1 C 13 27.263 0.048 . 1 . . . . . 120 I CG1 . 27458 1 1322 . 1 1 120 120 ILE CG2 C 13 17.424 0.083 . 1 . . . . . 120 I CG2 . 27458 1 1323 . 1 1 120 120 ILE CD1 C 13 12.761 0.082 . 1 . . . . . 120 I CD . 27458 1 1324 . 1 1 120 120 ILE N N 15 127.309 0.090 . 1 . . . . . 120 I N . 27458 1 1325 . 1 1 121 121 LEU H H 1 8.958 0.006 . 1 . . . . . 121 L H . 27458 1 1326 . 1 1 121 121 LEU HA H 1 4.509 0.002 . 1 . . . . . 121 L HA . 27458 1 1327 . 1 1 121 121 LEU HB2 H 1 1.476 0.005 . 2 . . . . . 121 L HB2 . 27458 1 1328 . 1 1 121 121 LEU HB3 H 1 1.629 0.007 . 2 . . . . . 121 L HB3 . 27458 1 1329 . 1 1 121 121 LEU C C 13 177.212 0.000 . 1 . . . . . 121 L C . 27458 1 1330 . 1 1 121 121 LEU CA C 13 54.523 0.087 . 1 . . . . . 121 L CA . 27458 1 1331 . 1 1 121 121 LEU CB C 13 42.649 0.094 . 1 . . . . . 121 L CB . 27458 1 1332 . 1 1 121 121 LEU N N 15 129.507 0.051 . 1 . . . . . 121 L N . 27458 1 1333 . 1 1 122 122 LEU H H 1 8.678 0.009 . 1 . . . . . 122 L H . 27458 1 1334 . 1 1 122 122 LEU HA H 1 4.494 0.004 . 1 . . . . . 122 L HA . 27458 1 1335 . 1 1 122 122 LEU HB2 H 1 1.498 0.009 . 2 . . . . . 122 L HB2 . 27458 1 1336 . 1 1 122 122 LEU HB3 H 1 1.828 0.008 . 2 . . . . . 122 L HB3 . 27458 1 1337 . 1 1 122 122 LEU HG H 1 0.854 0.002 . 1 . . . . . 122 L HG . 27458 1 1338 . 1 1 122 122 LEU HD11 H 1 0.636 0.003 . 2 . . . . . 122 L MD1 . 27458 1 1339 . 1 1 122 122 LEU HD12 H 1 0.636 0.003 . 2 . . . . . 122 L MD1 . 27458 1 1340 . 1 1 122 122 LEU HD13 H 1 0.636 0.003 . 2 . . . . . 122 L MD1 . 27458 1 1341 . 1 1 122 122 LEU C C 13 175.863 0.000 . 1 . . . . . 122 L C . 27458 1 1342 . 1 1 122 122 LEU CA C 13 53.510 0.042 . 1 . . . . . 122 L CA . 27458 1 1343 . 1 1 122 122 LEU CB C 13 38.724 0.100 . 1 . . . . . 122 L CB . 27458 1 1344 . 1 1 122 122 LEU CG C 13 25.909 0.076 . 1 . . . . . 122 L CG . 27458 1 1345 . 1 1 122 122 LEU CD1 C 13 23.065 0.040 . 2 . . . . . 122 L CD1 . 27458 1 1346 . 1 1 122 122 LEU N N 15 125.676 0.076 . 1 . . . . . 122 L N . 27458 1 1347 . 1 1 123 123 GLY H H 1 7.948 0.010 . 1 . . . . . 123 G H . 27458 1 1348 . 1 1 123 123 GLY HA2 H 1 3.937 0.005 . 2 . . . . . 123 G HA2 . 27458 1 1349 . 1 1 123 123 GLY HA3 H 1 4.318 0.003 . 2 . . . . . 123 G HA3 . 27458 1 1350 . 1 1 123 123 GLY C C 13 173.009 0.000 . 1 . . . . . 123 G C . 27458 1 1351 . 1 1 123 123 GLY CA C 13 45.284 0.039 . 1 . . . . . 123 G CA . 27458 1 1352 . 1 1 123 123 GLY N N 15 109.098 0.128 . 1 . . . . . 123 G N . 27458 1 1353 . 1 1 124 124 ASP H H 1 8.260 0.006 . 1 . . . . . 124 D H . 27458 1 1354 . 1 1 124 124 ASP HA H 1 4.323 0.002 . 1 . . . . . 124 D HA . 27458 1 1355 . 1 1 124 124 ASP HB2 H 1 2.477 0.005 . 2 . . . . . 124 D HB2 . 27458 1 1356 . 1 1 124 124 ASP HB3 H 1 2.760 0.007 . 2 . . . . . 124 D HB3 . 27458 1 1357 . 1 1 124 124 ASP C C 13 175.165 0.000 . 1 . . . . . 124 D C . 27458 1 1358 . 1 1 124 124 ASP CA C 13 53.611 0.043 . 1 . . . . . 124 D CA . 27458 1 1359 . 1 1 124 124 ASP CB C 13 40.733 0.110 . 1 . . . . . 124 D CB . 27458 1 1360 . 1 1 124 124 ASP N N 15 116.700 0.063 . 1 . . . . . 124 D N . 27458 1 1361 . 1 1 125 125 ARG H H 1 6.827 0.010 . 1 . . . . . 125 R H . 27458 1 1362 . 1 1 125 125 ARG HA H 1 4.481 0.003 . 1 . . . . . 125 R HA . 27458 1 1363 . 1 1 125 125 ARG HB2 H 1 1.519 0.008 . 2 . . . . . 125 R HB2 . 27458 1 1364 . 1 1 125 125 ARG HB3 H 1 1.855 0.005 . 2 . . . . . 125 R HB3 . 27458 1 1365 . 1 1 125 125 ARG HG2 H 1 1.618 0.007 . 2 . . . . . 125 R HG2 . 27458 1 1366 . 1 1 125 125 ARG HG3 H 1 1.618 0.007 . 2 . . . . . 125 R HG3 . 27458 1 1367 . 1 1 125 125 ARG HD2 H 1 3.157 0.003 . 2 . . . . . 125 R HD2 . 27458 1 1368 . 1 1 125 125 ARG HD3 H 1 3.157 0.003 . 2 . . . . . 125 R HD3 . 27458 1 1369 . 1 1 125 125 ARG C C 13 174.017 0.000 . 1 . . . . . 125 R C . 27458 1 1370 . 1 1 125 125 ARG CA C 13 55.035 0.069 . 1 . . . . . 125 R CA . 27458 1 1371 . 1 1 125 125 ARG CB C 13 33.111 0.103 . 1 . . . . . 125 R CB . 27458 1 1372 . 1 1 125 125 ARG CG C 13 26.846 0.044 . 1 . . . . . 125 R CG . 27458 1 1373 . 1 1 125 125 ARG CD C 13 43.435 0.031 . 1 . . . . . 125 R CD . 27458 1 1374 . 1 1 125 125 ARG N N 15 118.212 0.048 . 1 . . . . . 125 R N . 27458 1 1375 . 1 1 126 126 LEU H H 1 7.751 0.004 . 1 . . . . . 126 L H . 27458 1 1376 . 1 1 126 126 LEU HA H 1 4.375 0.005 . 1 . . . . . 126 L HA . 27458 1 1377 . 1 1 126 126 LEU HB2 H 1 1.574 0.005 . 2 . . . . . 126 L HB2 . 27458 1 1378 . 1 1 126 126 LEU HB3 H 1 1.662 0.008 . 2 . . . . . 126 L HB3 . 27458 1 1379 . 1 1 126 126 LEU HG H 1 1.456 0.003 . 1 . . . . . 126 L HG . 27458 1 1380 . 1 1 126 126 LEU HD11 H 1 0.802 0.009 . 2 . . . . . 126 L MD1 . 27458 1 1381 . 1 1 126 126 LEU HD12 H 1 0.802 0.009 . 2 . . . . . 126 L MD1 . 27458 1 1382 . 1 1 126 126 LEU HD13 H 1 0.802 0.009 . 2 . . . . . 126 L MD1 . 27458 1 1383 . 1 1 126 126 LEU HD21 H 1 0.871 0.002 . 2 . . . . . 126 L MD2 . 27458 1 1384 . 1 1 126 126 LEU HD22 H 1 0.871 0.002 . 2 . . . . . 126 L MD2 . 27458 1 1385 . 1 1 126 126 LEU HD23 H 1 0.871 0.002 . 2 . . . . . 126 L MD2 . 27458 1 1386 . 1 1 126 126 LEU CA C 13 55.846 0.073 . 1 . . . . . 126 L CA . 27458 1 1387 . 1 1 126 126 LEU CB C 13 45.579 0.035 . 1 . . . . . 126 L CB . 27458 1 1388 . 1 1 126 126 LEU CG C 13 27.172 0.068 . 1 . . . . . 126 L CG . 27458 1 1389 . 1 1 126 126 LEU CD1 C 13 25.565 0.201 . 2 . . . . . 126 L CD1 . 27458 1 1390 . 1 1 126 126 LEU CD2 C 13 24.743 0.359 . 2 . . . . . 126 L CD2 . 27458 1 1391 . 1 1 126 126 LEU N N 15 125.980 0.085 . 1 . . . . . 126 L N . 27458 1 stop_ save_