data_26637 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26637 _Entry.Title ; Backbone assignments of dengue virus NS4B N-terminal region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-17 _Entry.Accession_date 2015-08-17 _Entry.Last_release_date 2016-07-15 _Entry.Original_release_date 2016-07-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yan Li . . . . 26637 2 'Young Mee' Kim . . . . 26637 3 Shovanlal Gayen . . . . 26637 4 'Ying Lei' Wong . . . . 26637 5 Qiwei Huang . . . . 26637 6 CongBao Kang . . . . 26637 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26637 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 26637 '15N chemical shifts' 119 26637 '1H chemical shifts' 445 26637 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-15 . original BMRB . 26637 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26637 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26403837 _Citation.Full_citation . _Citation.Title ; Secondary structure and membrane topology of dengue virus NS4B N-terminal 125 amino acids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1848 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3150 _Citation.Page_last 3157 _Citation.Year 2015 _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 Yan Li . . . . 26637 1 2 'Young Mee' Kim . . . . 26637 1 3 Jing Zou . . . . 26637 1 4 Qing-Yin Wang . . . . 26637 1 5 Shovanlal Gayen . . . . 26637 1 6 'Ying Lei' Wong . . . . 26637 1 7 'Le Tian' Lee . . . . 26637 1 8 Xuping Xie . . . . 26637 1 9 Qiwei Huang . . . . 26637 1 10 Julien Lescar . . . . 26637 1 11 Pei-Yong Shi . . . . 26637 1 12 CongBao Kang . . . . 26637 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Dengue Virus' 26637 1 NMR 26637 1 NS4B 26637 1 'membrane protein' 26637 1 'paramagnetic relaxation enhencement' 26637 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26637 _Assembly.ID 1 _Assembly.Name 'dengue virus NS4B N-terminal 125 amino acids' _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 'dengue virus NS4B N-terminal 125 amino acids' 1 $dengue_virus_NS4B_N-terminal_125_amino_acids A . yes native no no . . . 26637 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dengue_virus_NS4B_N-terminal_125_amino_acids _Entity.Sf_category entity _Entity.Sf_framecode dengue_virus_NS4B_N-terminal_125_amino_acids _Entity.Entry_ID 26637 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dengue_virus_NS4B_N-terminal_125_amino_acids _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 ; NEMGFLEKTKKDFGLGSIAT QQPESNILDIDLRPASAWTL YAVATTFITPMLRHSIENSS VNVSLTAIANQATVLMGLGK GWPLSKMDIGVPLLAIGCYS QVNPITLTAALLLLVAHYAI IGPGLEHHHHHHH ; _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 133 _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 1 ASN . 26637 1 2 2 GLU . 26637 1 3 3 MET . 26637 1 4 4 GLY . 26637 1 5 5 PHE . 26637 1 6 6 LEU . 26637 1 7 7 GLU . 26637 1 8 8 LYS . 26637 1 9 9 THR . 26637 1 10 10 LYS . 26637 1 11 11 LYS . 26637 1 12 12 ASP . 26637 1 13 13 PHE . 26637 1 14 14 GLY . 26637 1 15 15 LEU . 26637 1 16 16 GLY . 26637 1 17 17 SER . 26637 1 18 18 ILE . 26637 1 19 19 ALA . 26637 1 20 20 THR . 26637 1 21 21 GLN . 26637 1 22 22 GLN . 26637 1 23 23 PRO . 26637 1 24 24 GLU . 26637 1 25 25 SER . 26637 1 26 26 ASN . 26637 1 27 27 ILE . 26637 1 28 28 LEU . 26637 1 29 29 ASP . 26637 1 30 30 ILE . 26637 1 31 31 ASP . 26637 1 32 32 LEU . 26637 1 33 33 ARG . 26637 1 34 34 PRO . 26637 1 35 35 ALA . 26637 1 36 36 SER . 26637 1 37 37 ALA . 26637 1 38 38 TRP . 26637 1 39 39 THR . 26637 1 40 40 LEU . 26637 1 41 41 TYR . 26637 1 42 42 ALA . 26637 1 43 43 VAL . 26637 1 44 44 ALA . 26637 1 45 45 THR . 26637 1 46 46 THR . 26637 1 47 47 PHE . 26637 1 48 48 ILE . 26637 1 49 49 THR . 26637 1 50 50 PRO . 26637 1 51 51 MET . 26637 1 52 52 LEU . 26637 1 53 53 ARG . 26637 1 54 54 HIS . 26637 1 55 55 SER . 26637 1 56 56 ILE . 26637 1 57 57 GLU . 26637 1 58 58 ASN . 26637 1 59 59 SER . 26637 1 60 60 SER . 26637 1 61 61 VAL . 26637 1 62 62 ASN . 26637 1 63 63 VAL . 26637 1 64 64 SER . 26637 1 65 65 LEU . 26637 1 66 66 THR . 26637 1 67 67 ALA . 26637 1 68 68 ILE . 26637 1 69 69 ALA . 26637 1 70 70 ASN . 26637 1 71 71 GLN . 26637 1 72 72 ALA . 26637 1 73 73 THR . 26637 1 74 74 VAL . 26637 1 75 75 LEU . 26637 1 76 76 MET . 26637 1 77 77 GLY . 26637 1 78 78 LEU . 26637 1 79 79 GLY . 26637 1 80 80 LYS . 26637 1 81 81 GLY . 26637 1 82 82 TRP . 26637 1 83 83 PRO . 26637 1 84 84 LEU . 26637 1 85 85 SER . 26637 1 86 86 LYS . 26637 1 87 87 MET . 26637 1 88 88 ASP . 26637 1 89 89 ILE . 26637 1 90 90 GLY . 26637 1 91 91 VAL . 26637 1 92 92 PRO . 26637 1 93 93 LEU . 26637 1 94 94 LEU . 26637 1 95 95 ALA . 26637 1 96 96 ILE . 26637 1 97 97 GLY . 26637 1 98 98 CYS . 26637 1 99 99 TYR . 26637 1 100 100 SER . 26637 1 101 101 GLN . 26637 1 102 102 VAL . 26637 1 103 103 ASN . 26637 1 104 104 PRO . 26637 1 105 105 ILE . 26637 1 106 106 THR . 26637 1 107 107 LEU . 26637 1 108 108 THR . 26637 1 109 109 ALA . 26637 1 110 110 ALA . 26637 1 111 111 LEU . 26637 1 112 112 LEU . 26637 1 113 113 LEU . 26637 1 114 114 LEU . 26637 1 115 115 VAL . 26637 1 116 116 ALA . 26637 1 117 117 HIS . 26637 1 118 118 TYR . 26637 1 119 119 ALA . 26637 1 120 120 ILE . 26637 1 121 121 ILE . 26637 1 122 122 GLY . 26637 1 123 123 PRO . 26637 1 124 124 GLY . 26637 1 125 125 LEU . 26637 1 126 126 GLU . 26637 1 127 127 HIS . 26637 1 128 128 HIS . 26637 1 129 129 HIS . 26637 1 130 130 HIS . 26637 1 131 131 HIS . 26637 1 132 132 HIS . 26637 1 133 133 HIS . 26637 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 . ASN 1 1 26637 1 . GLU 2 2 26637 1 . MET 3 3 26637 1 . GLY 4 4 26637 1 . PHE 5 5 26637 1 . LEU 6 6 26637 1 . GLU 7 7 26637 1 . LYS 8 8 26637 1 . THR 9 9 26637 1 . LYS 10 10 26637 1 . LYS 11 11 26637 1 . ASP 12 12 26637 1 . PHE 13 13 26637 1 . GLY 14 14 26637 1 . LEU 15 15 26637 1 . GLY 16 16 26637 1 . SER 17 17 26637 1 . ILE 18 18 26637 1 . ALA 19 19 26637 1 . THR 20 20 26637 1 . GLN 21 21 26637 1 . GLN 22 22 26637 1 . PRO 23 23 26637 1 . GLU 24 24 26637 1 . SER 25 25 26637 1 . ASN 26 26 26637 1 . ILE 27 27 26637 1 . LEU 28 28 26637 1 . ASP 29 29 26637 1 . ILE 30 30 26637 1 . ASP 31 31 26637 1 . LEU 32 32 26637 1 . ARG 33 33 26637 1 . PRO 34 34 26637 1 . ALA 35 35 26637 1 . SER 36 36 26637 1 . ALA 37 37 26637 1 . TRP 38 38 26637 1 . THR 39 39 26637 1 . LEU 40 40 26637 1 . TYR 41 41 26637 1 . ALA 42 42 26637 1 . VAL 43 43 26637 1 . ALA 44 44 26637 1 . THR 45 45 26637 1 . THR 46 46 26637 1 . PHE 47 47 26637 1 . ILE 48 48 26637 1 . THR 49 49 26637 1 . PRO 50 50 26637 1 . MET 51 51 26637 1 . LEU 52 52 26637 1 . ARG 53 53 26637 1 . HIS 54 54 26637 1 . SER 55 55 26637 1 . ILE 56 56 26637 1 . GLU 57 57 26637 1 . ASN 58 58 26637 1 . SER 59 59 26637 1 . SER 60 60 26637 1 . VAL 61 61 26637 1 . ASN 62 62 26637 1 . VAL 63 63 26637 1 . SER 64 64 26637 1 . LEU 65 65 26637 1 . THR 66 66 26637 1 . ALA 67 67 26637 1 . ILE 68 68 26637 1 . ALA 69 69 26637 1 . ASN 70 70 26637 1 . GLN 71 71 26637 1 . ALA 72 72 26637 1 . THR 73 73 26637 1 . VAL 74 74 26637 1 . LEU 75 75 26637 1 . MET 76 76 26637 1 . GLY 77 77 26637 1 . LEU 78 78 26637 1 . GLY 79 79 26637 1 . LYS 80 80 26637 1 . GLY 81 81 26637 1 . TRP 82 82 26637 1 . PRO 83 83 26637 1 . LEU 84 84 26637 1 . SER 85 85 26637 1 . LYS 86 86 26637 1 . MET 87 87 26637 1 . ASP 88 88 26637 1 . ILE 89 89 26637 1 . GLY 90 90 26637 1 . VAL 91 91 26637 1 . PRO 92 92 26637 1 . LEU 93 93 26637 1 . LEU 94 94 26637 1 . ALA 95 95 26637 1 . ILE 96 96 26637 1 . GLY 97 97 26637 1 . CYS 98 98 26637 1 . TYR 99 99 26637 1 . SER 100 100 26637 1 . GLN 101 101 26637 1 . VAL 102 102 26637 1 . ASN 103 103 26637 1 . PRO 104 104 26637 1 . ILE 105 105 26637 1 . THR 106 106 26637 1 . LEU 107 107 26637 1 . THR 108 108 26637 1 . ALA 109 109 26637 1 . ALA 110 110 26637 1 . LEU 111 111 26637 1 . LEU 112 112 26637 1 . LEU 113 113 26637 1 . LEU 114 114 26637 1 . VAL 115 115 26637 1 . ALA 116 116 26637 1 . HIS 117 117 26637 1 . TYR 118 118 26637 1 . ALA 119 119 26637 1 . ILE 120 120 26637 1 . ILE 121 121 26637 1 . GLY 122 122 26637 1 . PRO 123 123 26637 1 . GLY 124 124 26637 1 . LEU 125 125 26637 1 . GLU 126 126 26637 1 . HIS 127 127 26637 1 . HIS 128 128 26637 1 . HIS 129 129 26637 1 . HIS 130 130 26637 1 . HIS 131 131 26637 1 . HIS 132 132 26637 1 . HIS 133 133 26637 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 26637 _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 $dengue_virus_NS4B_N-terminal_125_amino_acids . 12637 virus . 'Dengue virus' 'Dengue virus' . . Viruses . Dengue virus . . . . . . . . . . . . . 26637 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 26637 _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 $dengue_virus_NS4B_N-terminal_125_amino_acids . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-29b . . . 26637 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26637 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dengue virus NS4B N-terminal 125 amino acids' '[U-99% 13C; U-99% 15N]' . . 1 $dengue_virus_NS4B_N-terminal_125_amino_acids . . 0.5 . . mM . . . . 26637 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26637 1 3 LMPG 'natural abundance' . . . . . . 1 . . % . . . . 26637 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26637 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26637 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 26637 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 26637 1 pH 6.5 . pH 26637 1 pressure 1 . atm 26637 1 temperature 313 . K 26637 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26637 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26637 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26637 1 processing 26637 1 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 26637 _NMR_spectrometer.ID 1 _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 26637 _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 . 600 . . . 26637 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 26637 _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 . . . . . . . . . . . . . . . . 26637 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26637 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26637 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26637 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26637 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26637 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 26637 _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 protons . . . . ppm 0 internal indirect 0.251449530 . . . . . 26637 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . 26637 1 N 15 DSS protons . . . . ppm 0 internal indirect 0.101329118 . . . . . 26637 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 26637 _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' . . . 26637 1 2 '3D HNCA' . . . 26637 1 3 '3D HNCACB' . . . 26637 1 5 '3D HNCO' . . . 26637 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.779 0.020 . 1 . . . . 1 ASN HA . 26637 1 2 . 1 1 1 1 ASN C C 13 174.969 0.300 . 1 . . . . 1 ASN C . 26637 1 3 . 1 1 1 1 ASN CA C 13 53.321 0.300 . 1 . . . . 1 ASN CA . 26637 1 4 . 1 1 1 1 ASN CB C 13 38.600 0.300 . 1 . . . . 1 ASN CB . 26637 1 5 . 1 1 2 2 GLU H H 1 8.930 0.020 . 1 . . . . 2 GLU H . 26637 1 6 . 1 1 2 2 GLU HA H 1 4.186 0.020 . 1 . . . . 2 GLU HA . 26637 1 7 . 1 1 2 2 GLU C C 13 176.781 0.300 . 1 . . . . 2 GLU C . 26637 1 8 . 1 1 2 2 GLU CA C 13 58.529 0.300 . 1 . . . . 2 GLU CA . 26637 1 9 . 1 1 2 2 GLU CB C 13 29.192 0.300 . 1 . . . . 2 GLU CB . 26637 1 10 . 1 1 2 2 GLU CG C 13 35.661 0.300 . 1 . . . . 2 GLU CG . 26637 1 11 . 1 1 2 2 GLU N N 15 121.569 0.300 . 1 . . . . 2 GLU N . 26637 1 12 . 1 1 3 3 MET H H 1 8.407 0.020 . 1 . . . . 3 MET H . 26637 1 13 . 1 1 3 3 MET HA H 1 4.454 0.020 . 1 . . . . 3 MET HA . 26637 1 14 . 1 1 3 3 MET HG2 H 1 2.568 0.020 . 2 . . . . 3 MET HG2 . 26637 1 15 . 1 1 3 3 MET HG3 H 1 2.671 0.020 . 2 . . . . 3 MET HG3 . 26637 1 16 . 1 1 3 3 MET C C 13 177.603 0.300 . 1 . . . . 3 MET C . 26637 1 17 . 1 1 3 3 MET CA C 13 56.224 0.300 . 1 . . . . 3 MET CA . 26637 1 18 . 1 1 3 3 MET CB C 13 32.469 0.300 . 1 . . . . 3 MET CB . 26637 1 19 . 1 1 3 3 MET CG C 13 32.541 0.300 . 1 . . . . 3 MET CG . 26637 1 20 . 1 1 3 3 MET CE C 13 17.183 0.300 . 1 . . . . 3 MET CE . 26637 1 21 . 1 1 3 3 MET N N 15 118.521 0.300 . 1 . . . . 3 MET N . 26637 1 22 . 1 1 4 4 GLY H H 1 8.384 0.020 . 1 . . . . 4 GLY H . 26637 1 23 . 1 1 4 4 GLY C C 13 175.658 0.300 . 1 . . . . 4 GLY C . 26637 1 24 . 1 1 4 4 GLY CA C 13 46.593 0.300 . 1 . . . . 4 GLY CA . 26637 1 25 . 1 1 4 4 GLY N N 15 109.536 0.300 . 1 . . . . 4 GLY N . 26637 1 26 . 1 1 5 5 PHE H H 1 8.210 0.020 . 1 . . . . 5 PHE H . 26637 1 27 . 1 1 5 5 PHE HA H 1 4.377 0.020 . 1 . . . . 5 PHE HA . 26637 1 28 . 1 1 5 5 PHE HB2 H 1 3.116 0.020 . 2 . . . . 5 PHE HB2 . 26637 1 29 . 1 1 5 5 PHE HB3 H 1 3.271 0.020 . 2 . . . . 5 PHE HB3 . 26637 1 30 . 1 1 5 5 PHE C C 13 177.544 0.300 . 1 . . . . 5 PHE C . 26637 1 31 . 1 1 5 5 PHE CA C 13 60.526 0.300 . 1 . . . . 5 PHE CA . 26637 1 32 . 1 1 5 5 PHE CB C 13 39.245 0.300 . 1 . . . . 5 PHE CB . 26637 1 33 . 1 1 5 5 PHE N N 15 120.445 0.300 . 1 . . . . 5 PHE N . 26637 1 34 . 1 1 6 6 LEU H H 1 8.096 0.020 . 1 . . . . 6 LEU H . 26637 1 35 . 1 1 6 6 LEU HA H 1 3.987 0.020 . 1 . . . . 6 LEU HA . 26637 1 36 . 1 1 6 6 LEU HB2 H 1 1.781 0.020 . 2 . . . . 6 LEU HB2 . 26637 1 37 . 1 1 6 6 LEU HB3 H 1 1.614 0.020 . 2 . . . . 6 LEU HB3 . 26637 1 38 . 1 1 6 6 LEU HG H 1 1.630 0.020 . 1 . . . . 6 LEU HG . 26637 1 39 . 1 1 6 6 LEU C C 13 178.133 0.300 . 1 . . . . 6 LEU C . 26637 1 40 . 1 1 6 6 LEU CA C 13 57.464 0.300 . 1 . . . . 6 LEU CA . 26637 1 41 . 1 1 6 6 LEU CB C 13 41.504 0.300 . 1 . . . . 6 LEU CB . 26637 1 42 . 1 1 6 6 LEU CG C 13 27.276 0.300 . 1 . . . . 6 LEU CG . 26637 1 43 . 1 1 6 6 LEU CD1 C 13 25.305 0.300 . 2 . . . . 6 LEU CD1 . 26637 1 44 . 1 1 6 6 LEU CD2 C 13 23.861 0.300 . 2 . . . . 6 LEU CD2 . 26637 1 45 . 1 1 6 6 LEU N N 15 121.138 0.300 . 1 . . . . 6 LEU N . 26637 1 46 . 1 1 7 7 GLU H H 1 8.098 0.020 . 1 . . . . 7 GLU H . 26637 1 47 . 1 1 7 7 GLU HA H 1 4.009 0.020 . 1 . . . . 7 GLU HA . 26637 1 48 . 1 1 7 7 GLU C C 13 178.329 0.300 . 1 . . . . 7 GLU C . 26637 1 49 . 1 1 7 7 GLU CA C 13 58.840 0.300 . 1 . . . . 7 GLU CA . 26637 1 50 . 1 1 7 7 GLU CB C 13 29.428 0.300 . 1 . . . . 7 GLU CB . 26637 1 51 . 1 1 7 7 GLU CG C 13 35.903 0.300 . 1 . . . . 7 GLU CG . 26637 1 52 . 1 1 7 7 GLU N N 15 119.124 0.300 . 1 . . . . 7 GLU N . 26637 1 53 . 1 1 8 8 LYS H H 1 7.970 0.020 . 1 . . . . 8 LYS H . 26637 1 54 . 1 1 8 8 LYS HA H 1 4.005 0.020 . 1 . . . . 8 LYS HA . 26637 1 55 . 1 1 8 8 LYS C C 13 177.736 0.300 . 1 . . . . 8 LYS C . 26637 1 56 . 1 1 8 8 LYS CA C 13 58.732 0.300 . 1 . . . . 8 LYS CA . 26637 1 57 . 1 1 8 8 LYS CB C 13 32.630 0.300 . 1 . . . . 8 LYS CB . 26637 1 58 . 1 1 8 8 LYS CG C 13 25.365 0.300 . 1 . . . . 8 LYS CG . 26637 1 59 . 1 1 8 8 LYS CD C 13 29.323 0.300 . 1 . . . . 8 LYS CD . 26637 1 60 . 1 1 8 8 LYS CE C 13 41.680 0.300 . 1 . . . . 8 LYS CE . 26637 1 61 . 1 1 8 8 LYS N N 15 119.113 0.300 . 1 . . . . 8 LYS N . 26637 1 62 . 1 1 9 9 THR H H 1 7.805 0.020 . 1 . . . . 9 THR H . 26637 1 63 . 1 1 9 9 THR HA H 1 3.973 0.020 . 1 . . . . 9 THR HA . 26637 1 64 . 1 1 9 9 THR HB H 1 4.080 0.020 . 1 . . . . 9 THR HB . 26637 1 65 . 1 1 9 9 THR C C 13 175.492 0.300 . 1 . . . . 9 THR C . 26637 1 66 . 1 1 9 9 THR CA C 13 65.431 0.300 . 1 . . . . 9 THR CA . 26637 1 67 . 1 1 9 9 THR CB C 13 68.961 0.300 . 1 . . . . 9 THR CB . 26637 1 68 . 1 1 9 9 THR CG2 C 13 21.826 0.300 . 1 . . . . 9 THR CG2 . 26637 1 69 . 1 1 9 9 THR N N 15 113.698 0.300 . 1 . . . . 9 THR N . 26637 1 70 . 1 1 10 10 LYS H H 1 7.992 0.020 . 1 . . . . 10 LYS H . 26637 1 71 . 1 1 10 10 LYS HA H 1 4.003 0.020 . 1 . . . . 10 LYS HA . 26637 1 72 . 1 1 10 10 LYS C C 13 177.668 0.300 . 1 . . . . 10 LYS C . 26637 1 73 . 1 1 10 10 LYS CA C 13 59.077 0.300 . 1 . . . . 10 LYS CA . 26637 1 74 . 1 1 10 10 LYS CB C 13 32.565 0.300 . 1 . . . . 10 LYS CB . 26637 1 75 . 1 1 10 10 LYS N N 15 120.191 0.300 . 1 . . . . 10 LYS N . 26637 1 76 . 1 1 11 11 LYS H H 1 7.786 0.020 . 1 . . . . 11 LYS H . 26637 1 77 . 1 1 11 11 LYS HA H 1 4.149 0.020 . 1 . . . . 11 LYS HA . 26637 1 78 . 1 1 11 11 LYS C C 13 177.846 0.300 . 1 . . . . 11 LYS C . 26637 1 79 . 1 1 11 11 LYS CA C 13 57.998 0.300 . 1 . . . . 11 LYS CA . 26637 1 80 . 1 1 11 11 LYS CB C 13 32.609 0.300 . 1 . . . . 11 LYS CB . 26637 1 81 . 1 1 11 11 LYS CG C 13 24.876 0.300 . 1 . . . . 11 LYS CG . 26637 1 82 . 1 1 11 11 LYS CD C 13 29.114 0.300 . 1 . . . . 11 LYS CD . 26637 1 83 . 1 1 11 11 LYS N N 15 119.077 0.300 . 1 . . . . 11 LYS N . 26637 1 84 . 1 1 12 12 ASP H H 1 8.337 0.020 . 1 . . . . 12 ASP H . 26637 1 85 . 1 1 12 12 ASP HA H 1 4.491 0.020 . 1 . . . . 12 ASP HA . 26637 1 86 . 1 1 12 12 ASP HB2 H 1 2.488 0.020 . 2 . . . . 12 ASP HB2 . 26637 1 87 . 1 1 12 12 ASP HB3 H 1 2.672 0.020 . 2 . . . . 12 ASP HB3 . 26637 1 88 . 1 1 12 12 ASP C C 13 176.756 0.300 . 1 . . . . 12 ASP C . 26637 1 89 . 1 1 12 12 ASP CA C 13 55.565 0.300 . 1 . . . . 12 ASP CA . 26637 1 90 . 1 1 12 12 ASP CB C 13 40.289 0.300 . 1 . . . . 12 ASP CB . 26637 1 91 . 1 1 12 12 ASP N N 15 119.818 0.300 . 1 . . . . 12 ASP N . 26637 1 92 . 1 1 13 13 PHE H H 1 7.933 0.020 . 1 . . . . 13 PHE H . 26637 1 93 . 1 1 13 13 PHE HA H 1 4.566 0.020 . 1 . . . . 13 PHE HA . 26637 1 94 . 1 1 13 13 PHE HB2 H 1 3.299 0.020 . 2 . . . . 13 PHE HB2 . 26637 1 95 . 1 1 13 13 PHE HB3 H 1 3.002 0.020 . 2 . . . . 13 PHE HB3 . 26637 1 96 . 1 1 13 13 PHE C C 13 175.366 0.300 . 1 . . . . 13 PHE C . 26637 1 97 . 1 1 13 13 PHE CA C 13 58.296 0.300 . 1 . . . . 13 PHE CA . 26637 1 98 . 1 1 13 13 PHE CB C 13 39.247 0.300 . 1 . . . . 13 PHE CB . 26637 1 99 . 1 1 13 13 PHE N N 15 117.279 0.300 . 1 . . . . 13 PHE N . 26637 1 100 . 1 1 14 14 GLY H H 1 7.900 0.020 . 1 . . . . 14 GLY H . 26637 1 101 . 1 1 14 14 GLY C C 13 175.093 0.300 . 1 . . . . 14 GLY C . 26637 1 102 . 1 1 14 14 GLY CA C 13 46.245 0.300 . 1 . . . . 14 GLY CA . 26637 1 103 . 1 1 14 14 GLY N N 15 107.214 0.300 . 1 . . . . 14 GLY N . 26637 1 104 . 1 1 15 15 LEU H H 1 8.076 0.020 . 1 . . . . 15 LEU H . 26637 1 105 . 1 1 15 15 LEU HA H 1 4.285 0.020 . 1 . . . . 15 LEU HA . 26637 1 106 . 1 1 15 15 LEU HG H 1 1.736 0.020 . 1 . . . . 15 LEU HG . 26637 1 107 . 1 1 15 15 LEU C C 13 177.713 0.300 . 1 . . . . 15 LEU C . 26637 1 108 . 1 1 15 15 LEU CA C 13 55.793 0.300 . 1 . . . . 15 LEU CA . 26637 1 109 . 1 1 15 15 LEU CB C 13 42.260 0.300 . 1 . . . . 15 LEU CB . 26637 1 110 . 1 1 15 15 LEU CG C 13 27.092 0.300 . 1 . . . . 15 LEU CG . 26637 1 111 . 1 1 15 15 LEU CD1 C 13 25.494 0.300 . 2 . . . . 15 LEU CD1 . 26637 1 112 . 1 1 15 15 LEU CD2 C 13 23.655 0.300 . 2 . . . . 15 LEU CD2 . 26637 1 113 . 1 1 15 15 LEU N N 15 119.895 0.300 . 1 . . . . 15 LEU N . 26637 1 114 . 1 1 16 16 GLY H H 1 8.494 0.020 . 1 . . . . 16 GLY H . 26637 1 115 . 1 1 16 16 GLY C C 13 174.694 0.300 . 1 . . . . 16 GLY C . 26637 1 116 . 1 1 16 16 GLY CA C 13 46.095 0.300 . 1 . . . . 16 GLY CA . 26637 1 117 . 1 1 16 16 GLY N N 15 107.446 0.300 . 1 . . . . 16 GLY N . 26637 1 118 . 1 1 17 17 SER H H 1 8.069 0.020 . 1 . . . . 17 SER H . 26637 1 119 . 1 1 17 17 SER HA H 1 4.468 0.020 . 1 . . . . 17 SER HA . 26637 1 120 . 1 1 17 17 SER C C 13 175.052 0.300 . 1 . . . . 17 SER C . 26637 1 121 . 1 1 17 17 SER CA C 13 59.001 0.300 . 1 . . . . 17 SER CA . 26637 1 122 . 1 1 17 17 SER CB C 13 63.774 0.300 . 1 . . . . 17 SER CB . 26637 1 123 . 1 1 17 17 SER N N 15 115.054 0.300 . 1 . . . . 17 SER N . 26637 1 124 . 1 1 18 18 ILE H H 1 7.835 0.020 . 1 . . . . 18 ILE H . 26637 1 125 . 1 1 18 18 ILE HA H 1 4.128 0.020 . 1 . . . . 18 ILE HA . 26637 1 126 . 1 1 18 18 ILE HB H 1 1.947 0.020 . 1 . . . . 18 ILE HB . 26637 1 127 . 1 1 18 18 ILE HG12 H 1 1.549 0.020 . 2 . . . . 18 ILE HG12 . 26637 1 128 . 1 1 18 18 ILE HG13 H 1 1.235 0.020 . 2 . . . . 18 ILE HG13 . 26637 1 129 . 1 1 18 18 ILE C C 13 175.828 0.300 . 1 . . . . 18 ILE C . 26637 1 130 . 1 1 18 18 ILE CA C 13 62.106 0.300 . 1 . . . . 18 ILE CA . 26637 1 131 . 1 1 18 18 ILE CB C 13 38.579 0.300 . 1 . . . . 18 ILE CB . 26637 1 132 . 1 1 18 18 ILE CG1 C 13 27.797 0.300 . 1 . . . . 18 ILE CG1 . 26637 1 133 . 1 1 18 18 ILE CG2 C 13 17.880 0.300 . 1 . . . . 18 ILE CG2 . 26637 1 134 . 1 1 18 18 ILE CD1 C 13 13.551 0.300 . 1 . . . . 18 ILE CD1 . 26637 1 135 . 1 1 18 18 ILE N N 15 120.795 0.300 . 1 . . . . 18 ILE N . 26637 1 136 . 1 1 19 19 ALA H H 1 8.111 0.020 . 1 . . . . 19 ALA H . 26637 1 137 . 1 1 19 19 ALA HA H 1 4.377 0.020 . 1 . . . . 19 ALA HA . 26637 1 138 . 1 1 19 19 ALA C C 13 177.635 0.300 . 1 . . . . 19 ALA C . 26637 1 139 . 1 1 19 19 ALA CA C 13 52.851 0.300 . 1 . . . . 19 ALA CA . 26637 1 140 . 1 1 19 19 ALA CB C 13 19.354 0.300 . 1 . . . . 19 ALA CB . 26637 1 141 . 1 1 19 19 ALA N N 15 124.442 0.300 . 1 . . . . 19 ALA N . 26637 1 142 . 1 1 20 20 THR H H 1 7.819 0.020 . 1 . . . . 20 THR H . 26637 1 143 . 1 1 20 20 THR HA H 1 4.335 0.020 . 1 . . . . 20 THR HA . 26637 1 144 . 1 1 20 20 THR HB H 1 4.288 0.020 . 1 . . . . 20 THR HB . 26637 1 145 . 1 1 20 20 THR C C 13 174.583 0.300 . 1 . . . . 20 THR C . 26637 1 146 . 1 1 20 20 THR CA C 13 62.003 0.300 . 1 . . . . 20 THR CA . 26637 1 147 . 1 1 20 20 THR CB C 13 69.773 0.300 . 1 . . . . 20 THR CB . 26637 1 148 . 1 1 20 20 THR CG2 C 13 21.389 0.300 . 1 . . . . 20 THR CG2 . 26637 1 149 . 1 1 20 20 THR N N 15 110.443 0.300 . 1 . . . . 20 THR N . 26637 1 150 . 1 1 21 21 GLN H H 1 8.074 0.020 . 1 . . . . 21 GLN H . 26637 1 151 . 1 1 21 21 GLN HA H 1 4.365 0.020 . 1 . . . . 21 GLN HA . 26637 1 152 . 1 1 21 21 GLN HB2 H 1 2.149 0.020 . 2 . . . . 21 GLN HB2 . 26637 1 153 . 1 1 21 21 GLN HB3 H 1 2.009 0.020 . 2 . . . . 21 GLN HB3 . 26637 1 154 . 1 1 21 21 GLN C C 13 175.425 0.300 . 1 . . . . 21 GLN C . 26637 1 155 . 1 1 21 21 GLN CA C 13 55.805 0.300 . 1 . . . . 21 GLN CA . 26637 1 156 . 1 1 21 21 GLN CB C 13 29.492 0.300 . 1 . . . . 21 GLN CB . 26637 1 157 . 1 1 21 21 GLN CG C 13 33.864 0.300 . 1 . . . . 21 GLN CG . 26637 1 158 . 1 1 21 21 GLN N N 15 121.059 0.300 . 1 . . . . 21 GLN N . 26637 1 159 . 1 1 22 22 GLN H H 1 8.276 0.020 . 1 . . . . 22 GLN H . 26637 1 160 . 1 1 22 22 GLN HA H 1 4.605 0.020 . 1 . . . . 22 GLN HA . 26637 1 161 . 1 1 22 22 GLN HB2 H 1 1.964 0.020 . 2 . . . . 22 GLN HB2 . 26637 1 162 . 1 1 22 22 GLN HB3 H 1 2.145 0.020 . 2 . . . . 22 GLN HB3 . 26637 1 163 . 1 1 22 22 GLN C C 13 174.184 0.300 . 1 . . . . 22 GLN C . 26637 1 164 . 1 1 22 22 GLN CA C 13 53.894 0.300 . 1 . . . . 22 GLN CA . 26637 1 165 . 1 1 22 22 GLN CB C 13 28.867 0.300 . 1 . . . . 22 GLN CB . 26637 1 166 . 1 1 22 22 GLN CG C 13 33.592 0.300 . 1 . . . . 22 GLN CG . 26637 1 167 . 1 1 22 22 GLN N N 15 121.117 0.300 . 1 . . . . 22 GLN N . 26637 1 168 . 1 1 23 23 PRO HA H 1 4.420 0.020 . 1 . . . . 23 PRO HA . 26637 1 169 . 1 1 23 23 PRO HB2 H 1 2.305 0.020 . 2 . . . . 23 PRO HB2 . 26637 1 170 . 1 1 23 23 PRO HB3 H 1 1.971 0.020 . 2 . . . . 23 PRO HB3 . 26637 1 171 . 1 1 23 23 PRO HG2 H 1 2.058 0.020 . 2 . . . . 23 PRO HG2 . 26637 1 172 . 1 1 23 23 PRO HG3 H 1 1.972 0.020 . 2 . . . . 23 PRO HG3 . 26637 1 173 . 1 1 23 23 PRO HD2 H 1 3.760 0.020 . 2 . . . . 23 PRO HD2 . 26637 1 174 . 1 1 23 23 PRO HD3 H 1 3.709 0.020 . 2 . . . . 23 PRO HD3 . 26637 1 175 . 1 1 23 23 PRO C C 13 177.034 0.300 . 1 . . . . 23 PRO C . 26637 1 176 . 1 1 23 23 PRO CA C 13 63.861 0.300 . 1 . . . . 23 PRO CA . 26637 1 177 . 1 1 23 23 PRO CB C 13 32.000 0.300 . 1 . . . . 23 PRO CB . 26637 1 178 . 1 1 23 23 PRO CG C 13 27.517 0.300 . 1 . . . . 23 PRO CG . 26637 1 179 . 1 1 23 23 PRO CD C 13 50.608 0.300 . 1 . . . . 23 PRO CD . 26637 1 180 . 1 1 24 24 GLU H H 1 8.579 0.020 . 1 . . . . 24 GLU H . 26637 1 181 . 1 1 24 24 GLU HA H 1 4.264 0.020 . 1 . . . . 24 GLU HA . 26637 1 182 . 1 1 24 24 GLU HB2 H 1 2.116 0.020 . 2 . . . . 24 GLU HB2 . 26637 1 183 . 1 1 24 24 GLU HB3 H 1 2.001 0.020 . 2 . . . . 24 GLU HB3 . 26637 1 184 . 1 1 24 24 GLU C C 13 176.401 0.300 . 1 . . . . 24 GLU C . 26637 1 185 . 1 1 24 24 GLU CA C 13 56.944 0.300 . 1 . . . . 24 GLU CA . 26637 1 186 . 1 1 24 24 GLU CB C 13 29.585 0.300 . 1 . . . . 24 GLU CB . 26637 1 187 . 1 1 24 24 GLU CG C 13 35.930 0.300 . 1 . . . . 24 GLU CG . 26637 1 188 . 1 1 24 24 GLU N N 15 119.030 0.300 . 1 . . . . 24 GLU N . 26637 1 189 . 1 1 25 25 SER H H 1 8.015 0.020 . 1 . . . . 25 SER H . 26637 1 190 . 1 1 25 25 SER HA H 1 4.439 0.020 . 1 . . . . 25 SER HA . 26637 1 191 . 1 1 25 25 SER C C 13 174.046 0.300 . 1 . . . . 25 SER C . 26637 1 192 . 1 1 25 25 SER CA C 13 58.488 0.300 . 1 . . . . 25 SER CA . 26637 1 193 . 1 1 25 25 SER CB C 13 64.110 0.300 . 1 . . . . 25 SER CB . 26637 1 194 . 1 1 25 25 SER N N 15 114.853 0.300 . 1 . . . . 25 SER N . 26637 1 195 . 1 1 26 26 ASN H H 1 8.397 0.020 . 1 . . . . 26 ASN H . 26637 1 196 . 1 1 26 26 ASN HA H 1 4.781 0.020 . 1 . . . . 26 ASN HA . 26637 1 197 . 1 1 26 26 ASN HB2 H 1 2.873 0.020 . 2 . . . . 26 ASN HB2 . 26637 1 198 . 1 1 26 26 ASN HB3 H 1 2.792 0.020 . 2 . . . . 26 ASN HB3 . 26637 1 199 . 1 1 26 26 ASN C C 13 175.754 0.300 . 1 . . . . 26 ASN C . 26637 1 200 . 1 1 26 26 ASN CA C 13 53.387 0.300 . 1 . . . . 26 ASN CA . 26637 1 201 . 1 1 26 26 ASN CB C 13 39.014 0.300 . 1 . . . . 26 ASN CB . 26637 1 202 . 1 1 26 26 ASN N N 15 120.386 0.300 . 1 . . . . 26 ASN N . 26637 1 203 . 1 1 27 27 ILE H H 1 8.101 0.020 . 1 . . . . 27 ILE H . 26637 1 204 . 1 1 27 27 ILE HA H 1 4.084 0.020 . 1 . . . . 27 ILE HA . 26637 1 205 . 1 1 27 27 ILE HB H 1 1.918 0.020 . 1 . . . . 27 ILE HB . 26637 1 206 . 1 1 27 27 ILE HG12 H 1 1.553 0.020 . 2 . . . . 27 ILE HG12 . 26637 1 207 . 1 1 27 27 ILE HG13 H 1 1.216 0.020 . 2 . . . . 27 ILE HG13 . 26637 1 208 . 1 1 27 27 ILE C C 13 175.381 0.300 . 1 . . . . 27 ILE C . 26637 1 209 . 1 1 27 27 ILE CA C 13 62.382 0.300 . 1 . . . . 27 ILE CA . 26637 1 210 . 1 1 27 27 ILE CB C 13 38.781 0.300 . 1 . . . . 27 ILE CB . 26637 1 211 . 1 1 27 27 ILE CG1 C 13 27.816 0.300 . 1 . . . . 27 ILE CG1 . 26637 1 212 . 1 1 27 27 ILE CG2 C 13 17.803 0.300 . 1 . . . . 27 ILE CG2 . 26637 1 213 . 1 1 27 27 ILE CD1 C 13 13.625 0.300 . 1 . . . . 27 ILE CD1 . 26637 1 214 . 1 1 27 27 ILE N N 15 120.297 0.300 . 1 . . . . 27 ILE N . 26637 1 215 . 1 1 28 28 LEU H H 1 7.933 0.020 . 1 . . . . 28 LEU H . 26637 1 216 . 1 1 28 28 LEU HA H 1 4.323 0.020 . 1 . . . . 28 LEU HA . 26637 1 217 . 1 1 28 28 LEU HB2 H 1 1.691 0.020 . 2 . . . . 28 LEU HB2 . 26637 1 218 . 1 1 28 28 LEU HB3 H 1 1.627 0.020 . 2 . . . . 28 LEU HB3 . 26637 1 219 . 1 1 28 28 LEU HG H 1 1.646 0.020 . 1 . . . . 28 LEU HG . 26637 1 220 . 1 1 28 28 LEU C C 13 176.428 0.300 . 1 . . . . 28 LEU C . 26637 1 221 . 1 1 28 28 LEU CA C 13 55.094 0.300 . 1 . . . . 28 LEU CA . 26637 1 222 . 1 1 28 28 LEU CB C 13 42.031 0.300 . 1 . . . . 28 LEU CB . 26637 1 223 . 1 1 28 28 LEU CG C 13 27.131 0.300 . 1 . . . . 28 LEU CG . 26637 1 224 . 1 1 28 28 LEU CD1 C 13 25.446 0.300 . 2 . . . . 28 LEU CD1 . 26637 1 225 . 1 1 28 28 LEU CD2 C 13 23.551 0.300 . 2 . . . . 28 LEU CD2 . 26637 1 226 . 1 1 28 28 LEU N N 15 120.392 0.300 . 1 . . . . 28 LEU N . 26637 1 227 . 1 1 29 29 ASP H H 1 7.998 0.020 . 1 . . . . 29 ASP H . 26637 1 228 . 1 1 29 29 ASP HA H 1 4.686 0.020 . 1 . . . . 29 ASP HA . 26637 1 229 . 1 1 29 29 ASP HB2 H 1 2.829 0.020 . 2 . . . . 29 ASP HB2 . 26637 1 230 . 1 1 29 29 ASP HB3 H 1 2.617 0.020 . 2 . . . . 29 ASP HB3 . 26637 1 231 . 1 1 29 29 ASP C C 13 175.671 0.300 . 1 . . . . 29 ASP C . 26637 1 232 . 1 1 29 29 ASP CA C 13 54.049 0.300 . 1 . . . . 29 ASP CA . 26637 1 233 . 1 1 29 29 ASP CB C 13 40.619 0.300 . 1 . . . . 29 ASP CB . 26637 1 234 . 1 1 29 29 ASP N N 15 119.985 0.300 . 1 . . . . 29 ASP N . 26637 1 235 . 1 1 30 30 ILE H H 1 7.644 0.020 . 1 . . . . 30 ILE H . 26637 1 236 . 1 1 30 30 ILE HA H 1 4.164 0.020 . 1 . . . . 30 ILE HA . 26637 1 237 . 1 1 30 30 ILE HB H 1 1.852 0.020 . 1 . . . . 30 ILE HB . 26637 1 238 . 1 1 30 30 ILE HG12 H 1 1.492 0.020 . 2 . . . . 30 ILE HG12 . 26637 1 239 . 1 1 30 30 ILE HG13 H 1 1.145 0.020 . 2 . . . . 30 ILE HG13 . 26637 1 240 . 1 1 30 30 ILE C C 13 174.861 0.300 . 1 . . . . 30 ILE C . 26637 1 241 . 1 1 30 30 ILE CA C 13 61.042 0.300 . 1 . . . . 30 ILE CA . 26637 1 242 . 1 1 30 30 ILE CB C 13 39.624 0.300 . 1 . . . . 30 ILE CB . 26637 1 243 . 1 1 30 30 ILE CG1 C 13 27.351 0.300 . 1 . . . . 30 ILE CG1 . 26637 1 244 . 1 1 30 30 ILE CG2 C 13 17.587 0.300 . 1 . . . . 30 ILE CG2 . 26637 1 245 . 1 1 30 30 ILE CD1 C 13 13.702 0.300 . 1 . . . . 30 ILE CD1 . 26637 1 246 . 1 1 30 30 ILE N N 15 119.429 0.300 . 1 . . . . 30 ILE N . 26637 1 247 . 1 1 31 31 ASP H H 1 8.315 0.020 . 1 . . . . 31 ASP H . 26637 1 248 . 1 1 31 31 ASP HA H 1 4.692 0.020 . 1 . . . . 31 ASP HA . 26637 1 249 . 1 1 31 31 ASP HB2 H 1 2.789 0.020 . 2 . . . . 31 ASP HB2 . 26637 1 250 . 1 1 31 31 ASP HB3 H 1 2.602 0.020 . 2 . . . . 31 ASP HB3 . 26637 1 251 . 1 1 31 31 ASP C C 13 175.536 0.300 . 1 . . . . 31 ASP C . 26637 1 252 . 1 1 31 31 ASP CA C 13 53.737 0.300 . 1 . . . . 31 ASP CA . 26637 1 253 . 1 1 31 31 ASP CB C 13 40.965 0.300 . 1 . . . . 31 ASP CB . 26637 1 254 . 1 1 31 31 ASP N N 15 124.238 0.300 . 1 . . . . 31 ASP N . 26637 1 255 . 1 1 32 32 LEU H H 1 8.101 0.020 . 1 . . . . 32 LEU H . 26637 1 256 . 1 1 32 32 LEU HA H 1 4.372 0.020 . 1 . . . . 32 LEU HA . 26637 1 257 . 1 1 32 32 LEU HG H 1 1.651 0.020 . 1 . . . . 32 LEU HG . 26637 1 258 . 1 1 32 32 LEU C C 13 175.947 0.300 . 1 . . . . 32 LEU C . 26637 1 259 . 1 1 32 32 LEU CA C 13 54.615 0.300 . 1 . . . . 32 LEU CA . 26637 1 260 . 1 1 32 32 LEU CB C 13 42.534 0.300 . 1 . . . . 32 LEU CB . 26637 1 261 . 1 1 32 32 LEU CG C 13 26.928 0.300 . 1 . . . . 32 LEU CG . 26637 1 262 . 1 1 32 32 LEU CD1 C 13 23.881 0.300 . 2 . . . . 32 LEU CD1 . 26637 1 263 . 1 1 32 32 LEU CD2 C 13 25.493 0.300 . 2 . . . . 32 LEU CD2 . 26637 1 264 . 1 1 32 32 LEU N N 15 123.519 0.300 . 1 . . . . 32 LEU N . 26637 1 265 . 1 1 33 33 ARG H H 1 8.093 0.020 . 1 . . . . 33 ARG H . 26637 1 266 . 1 1 33 33 ARG HA H 1 4.606 0.020 . 1 . . . . 33 ARG HA . 26637 1 267 . 1 1 33 33 ARG HB2 H 1 1.928 0.020 . 2 . . . . 33 ARG HB2 . 26637 1 268 . 1 1 33 33 ARG HB3 H 1 1.855 0.020 . 2 . . . . 33 ARG HB3 . 26637 1 269 . 1 1 33 33 ARG HG2 H 1 1.701 0.020 . 2 . . . . 33 ARG HG2 . 26637 1 270 . 1 1 33 33 ARG HG3 H 1 1.678 0.020 . 2 . . . . 33 ARG HG3 . 26637 1 271 . 1 1 33 33 ARG HD2 H 1 3.260 0.020 . 2 . . . . 33 ARG HD2 . 26637 1 272 . 1 1 33 33 ARG HD3 H 1 3.209 0.020 . 2 . . . . 33 ARG HD3 . 26637 1 273 . 1 1 33 33 ARG C C 13 174.776 0.300 . 1 . . . . 33 ARG C . 26637 1 274 . 1 1 33 33 ARG CA C 13 54.677 0.300 . 1 . . . . 33 ARG CA . 26637 1 275 . 1 1 33 33 ARG CB C 13 30.148 0.300 . 1 . . . . 33 ARG CB . 26637 1 276 . 1 1 33 33 ARG CG C 13 27.236 0.300 . 1 . . . . 33 ARG CG . 26637 1 277 . 1 1 33 33 ARG CD C 13 43.331 0.300 . 1 . . . . 33 ARG CD . 26637 1 278 . 1 1 33 33 ARG N N 15 120.966 0.300 . 1 . . . . 33 ARG N . 26637 1 279 . 1 1 34 34 PRO HA H 1 4.282 0.020 . 1 . . . . 34 PRO HA . 26637 1 280 . 1 1 34 34 PRO HB2 H 1 2.277 0.020 . 2 . . . . 34 PRO HB2 . 26637 1 281 . 1 1 34 34 PRO HB3 H 1 1.987 0.020 . 2 . . . . 34 PRO HB3 . 26637 1 282 . 1 1 34 34 PRO HD2 H 1 3.801 0.020 . 2 . . . . 34 PRO HD2 . 26637 1 283 . 1 1 34 34 PRO HD3 H 1 3.722 0.020 . 2 . . . . 34 PRO HD3 . 26637 1 284 . 1 1 34 34 PRO C C 13 176.938 0.300 . 1 . . . . 34 PRO C . 26637 1 285 . 1 1 34 34 PRO CA C 13 65.014 0.300 . 1 . . . . 34 PRO CA . 26637 1 286 . 1 1 34 34 PRO CB C 13 32.112 0.300 . 1 . . . . 34 PRO CB . 26637 1 287 . 1 1 34 34 PRO CG C 13 27.788 0.300 . 1 . . . . 34 PRO CG . 26637 1 288 . 1 1 34 34 PRO CD C 13 50.581 0.300 . 1 . . . . 34 PRO CD . 26637 1 289 . 1 1 35 35 ALA H H 1 8.213 0.020 . 1 . . . . 35 ALA H . 26637 1 290 . 1 1 35 35 ALA HA H 1 4.198 0.020 . 1 . . . . 35 ALA HA . 26637 1 291 . 1 1 35 35 ALA C C 13 178.769 0.300 . 1 . . . . 35 ALA C . 26637 1 292 . 1 1 35 35 ALA CA C 13 53.898 0.300 . 1 . . . . 35 ALA CA . 26637 1 293 . 1 1 35 35 ALA CB C 13 18.917 0.300 . 1 . . . . 35 ALA CB . 26637 1 294 . 1 1 35 35 ALA N N 15 119.575 0.300 . 1 . . . . 35 ALA N . 26637 1 295 . 1 1 36 36 SER H H 1 8.090 0.020 . 1 . . . . 36 SER H . 26637 1 296 . 1 1 36 36 SER HA H 1 4.429 0.020 . 1 . . . . 36 SER HA . 26637 1 297 . 1 1 36 36 SER HB2 H 1 4.056 0.020 . 2 . . . . 36 SER HB2 . 26637 1 298 . 1 1 36 36 SER HB3 H 1 4.006 0.020 . 2 . . . . 36 SER HB3 . 26637 1 299 . 1 1 36 36 SER C C 13 175.302 0.300 . 1 . . . . 36 SER C . 26637 1 300 . 1 1 36 36 SER CA C 13 59.584 0.300 . 1 . . . . 36 SER CA . 26637 1 301 . 1 1 36 36 SER CB C 13 63.614 0.300 . 1 . . . . 36 SER CB . 26637 1 302 . 1 1 36 36 SER N N 15 113.211 0.300 . 1 . . . . 36 SER N . 26637 1 303 . 1 1 37 37 ALA H H 1 8.277 0.020 . 1 . . . . 37 ALA H . 26637 1 304 . 1 1 37 37 ALA HA H 1 4.100 0.020 . 1 . . . . 37 ALA HA . 26637 1 305 . 1 1 37 37 ALA C C 13 178.327 0.300 . 1 . . . . 37 ALA C . 26637 1 306 . 1 1 37 37 ALA CA C 13 54.671 0.300 . 1 . . . . 37 ALA CA . 26637 1 307 . 1 1 37 37 ALA CB C 13 18.563 0.300 . 1 . . . . 37 ALA CB . 26637 1 308 . 1 1 37 37 ALA N N 15 124.052 0.300 . 1 . . . . 37 ALA N . 26637 1 309 . 1 1 38 38 TRP H H 1 8.018 0.020 . 1 . . . . 38 TRP H . 26637 1 310 . 1 1 38 38 TRP HA H 1 4.593 0.020 . 1 . . . . 38 TRP HA . 26637 1 311 . 1 1 38 38 TRP HB2 H 1 3.344 0.020 . 2 . . . . 38 TRP HB2 . 26637 1 312 . 1 1 38 38 TRP HB3 H 1 3.437 0.020 . 2 . . . . 38 TRP HB3 . 26637 1 313 . 1 1 38 38 TRP HE1 H 1 10.184 0.020 . 1 . . . . 38 TRP HE1 . 26637 1 314 . 1 1 38 38 TRP C C 13 178.324 0.300 . 1 . . . . 38 TRP C . 26637 1 315 . 1 1 38 38 TRP CA C 13 59.474 0.300 . 1 . . . . 38 TRP CA . 26637 1 316 . 1 1 38 38 TRP CB C 13 29.288 0.300 . 1 . . . . 38 TRP CB . 26637 1 317 . 1 1 38 38 TRP N N 15 117.104 0.300 . 1 . . . . 38 TRP N . 26637 1 318 . 1 1 38 38 TRP NE1 N 15 128.724 0.300 . 1 . . . . 38 TRP NE1 . 26637 1 319 . 1 1 39 39 THR H H 1 7.947 0.020 . 1 . . . . 39 THR H . 26637 1 320 . 1 1 39 39 THR HA H 1 4.131 0.020 . 1 . . . . 39 THR HA . 26637 1 321 . 1 1 39 39 THR HB H 1 4.394 0.020 . 1 . . . . 39 THR HB . 26637 1 322 . 1 1 39 39 THR C C 13 174.680 0.300 . 1 . . . . 39 THR C . 26637 1 323 . 1 1 39 39 THR CA C 13 65.633 0.300 . 1 . . . . 39 THR CA . 26637 1 324 . 1 1 39 39 THR CB C 13 69.151 0.300 . 1 . . . . 39 THR CB . 26637 1 325 . 1 1 39 39 THR CG2 C 13 22.093 0.300 . 1 . . . . 39 THR CG2 . 26637 1 326 . 1 1 39 39 THR N N 15 115.887 0.300 . 1 . . . . 39 THR N . 26637 1 327 . 1 1 40 40 LEU H H 1 7.951 0.020 . 1 . . . . 40 LEU H . 26637 1 328 . 1 1 40 40 LEU HA H 1 4.036 0.020 . 1 . . . . 40 LEU HA . 26637 1 329 . 1 1 40 40 LEU HB2 H 1 1.883 0.020 . 2 . . . . 40 LEU HB2 . 26637 1 330 . 1 1 40 40 LEU HB3 H 1 1.604 0.020 . 2 . . . . 40 LEU HB3 . 26637 1 331 . 1 1 40 40 LEU HG H 1 1.836 0.020 . 1 . . . . 40 LEU HG . 26637 1 332 . 1 1 40 40 LEU C C 13 178.135 0.300 . 1 . . . . 40 LEU C . 26637 1 333 . 1 1 40 40 LEU CA C 13 58.097 0.300 . 1 . . . . 40 LEU CA . 26637 1 334 . 1 1 40 40 LEU CB C 13 41.577 0.300 . 1 . . . . 40 LEU CB . 26637 1 335 . 1 1 40 40 LEU CG C 13 27.111 0.300 . 1 . . . . 40 LEU CG . 26637 1 336 . 1 1 40 40 LEU CD1 C 13 24.153 0.300 . 2 . . . . 40 LEU CD1 . 26637 1 337 . 1 1 40 40 LEU CD2 C 13 25.046 0.300 . 2 . . . . 40 LEU CD2 . 26637 1 338 . 1 1 40 40 LEU N N 15 120.634 0.300 . 1 . . . . 40 LEU N . 26637 1 339 . 1 1 41 41 TYR H H 1 8.116 0.020 . 1 . . . . 41 TYR H . 26637 1 340 . 1 1 41 41 TYR HA H 1 4.048 0.020 . 1 . . . . 41 TYR HA . 26637 1 341 . 1 1 41 41 TYR HB2 H 1 3.047 0.020 . 2 . . . . 41 TYR HB2 . 26637 1 342 . 1 1 41 41 TYR HB3 H 1 3.196 0.020 . 2 . . . . 41 TYR HB3 . 26637 1 343 . 1 1 41 41 TYR C C 13 177.466 0.300 . 1 . . . . 41 TYR C . 26637 1 344 . 1 1 41 41 TYR CA C 13 61.736 0.300 . 1 . . . . 41 TYR CA . 26637 1 345 . 1 1 41 41 TYR CB C 13 38.488 0.300 . 1 . . . . 41 TYR CB . 26637 1 346 . 1 1 41 41 TYR N N 15 118.916 0.300 . 1 . . . . 41 TYR N . 26637 1 347 . 1 1 42 42 ALA H H 1 8.188 0.020 . 1 . . . . 42 ALA H . 26637 1 348 . 1 1 42 42 ALA HA H 1 4.085 0.020 . 1 . . . . 42 ALA HA . 26637 1 349 . 1 1 42 42 ALA C C 13 180.757 0.300 . 1 . . . . 42 ALA C . 26637 1 350 . 1 1 42 42 ALA CA C 13 55.236 0.300 . 1 . . . . 42 ALA CA . 26637 1 351 . 1 1 42 42 ALA CB C 13 17.999 0.300 . 1 . . . . 42 ALA CB . 26637 1 352 . 1 1 42 42 ALA N N 15 122.698 0.300 . 1 . . . . 42 ALA N . 26637 1 353 . 1 1 43 43 VAL H H 1 8.229 0.020 . 1 . . . . 43 VAL H . 26637 1 354 . 1 1 43 43 VAL HA H 1 3.831 0.020 . 1 . . . . 43 VAL HA . 26637 1 355 . 1 1 43 43 VAL HB H 1 2.266 0.020 . 1 . . . . 43 VAL HB . 26637 1 356 . 1 1 43 43 VAL C C 13 178.539 0.300 . 1 . . . . 43 VAL C . 26637 1 357 . 1 1 43 43 VAL CA C 13 66.203 0.300 . 1 . . . . 43 VAL CA . 26637 1 358 . 1 1 43 43 VAL CB C 13 31.880 0.300 . 1 . . . . 43 VAL CB . 26637 1 359 . 1 1 43 43 VAL CG1 C 13 22.271 0.300 . 2 . . . . 43 VAL CG1 . 26637 1 360 . 1 1 43 43 VAL CG2 C 13 22.781 0.300 . 2 . . . . 43 VAL CG2 . 26637 1 361 . 1 1 43 43 VAL N N 15 118.701 0.300 . 1 . . . . 43 VAL N . 26637 1 362 . 1 1 44 44 ALA H H 1 8.514 0.020 . 1 . . . . 44 ALA H . 26637 1 363 . 1 1 44 44 ALA HA H 1 4.072 0.020 . 1 . . . . 44 ALA HA . 26637 1 364 . 1 1 44 44 ALA C C 13 179.705 0.300 . 1 . . . . 44 ALA C . 26637 1 365 . 1 1 44 44 ALA CA C 13 55.780 0.300 . 1 . . . . 44 ALA CA . 26637 1 366 . 1 1 44 44 ALA CB C 13 18.513 0.300 . 1 . . . . 44 ALA CB . 26637 1 367 . 1 1 44 44 ALA N N 15 122.123 0.300 . 1 . . . . 44 ALA N . 26637 1 368 . 1 1 45 45 THR H H 1 8.280 0.020 . 1 . . . . 45 THR H . 26637 1 369 . 1 1 45 45 THR HA H 1 4.053 0.020 . 1 . . . . 45 THR HA . 26637 1 370 . 1 1 45 45 THR HB H 1 4.090 0.020 . 1 . . . . 45 THR HB . 26637 1 371 . 1 1 45 45 THR C C 13 176.663 0.300 . 1 . . . . 45 THR C . 26637 1 372 . 1 1 45 45 THR CA C 13 65.566 0.300 . 1 . . . . 45 THR CA . 26637 1 373 . 1 1 45 45 THR CB C 13 69.025 0.300 . 1 . . . . 45 THR CB . 26637 1 374 . 1 1 45 45 THR CG2 C 13 21.350 0.300 . 1 . . . . 45 THR CG2 . 26637 1 375 . 1 1 45 45 THR N N 15 108.931 0.300 . 1 . . . . 45 THR N . 26637 1 376 . 1 1 46 46 THR H H 1 7.811 0.020 . 1 . . . . 46 THR H . 26637 1 377 . 1 1 46 46 THR HA H 1 4.078 0.020 . 1 . . . . 46 THR HA . 26637 1 378 . 1 1 46 46 THR HB H 1 4.095 0.020 . 1 . . . . 46 THR HB . 26637 1 379 . 1 1 46 46 THR C C 13 174.987 0.300 . 1 . . . . 46 THR C . 26637 1 380 . 1 1 46 46 THR CA C 13 65.623 0.300 . 1 . . . . 46 THR CA . 26637 1 381 . 1 1 46 46 THR CB C 13 69.160 0.300 . 1 . . . . 46 THR CB . 26637 1 382 . 1 1 46 46 THR CG2 C 13 21.307 0.300 . 1 . . . . 46 THR CG2 . 26637 1 383 . 1 1 46 46 THR N N 15 116.371 0.300 . 1 . . . . 46 THR N . 26637 1 384 . 1 1 47 47 PHE H H 1 7.712 0.020 . 1 . . . . 47 PHE H . 26637 1 385 . 1 1 47 47 PHE HA H 1 4.670 0.020 . 1 . . . . 47 PHE HA . 26637 1 386 . 1 1 47 47 PHE HB2 H 1 3.066 0.020 . 2 . . . . 47 PHE HB2 . 26637 1 387 . 1 1 47 47 PHE HB3 H 1 3.186 0.020 . 2 . . . . 47 PHE HB3 . 26637 1 388 . 1 1 47 47 PHE C C 13 176.306 0.300 . 1 . . . . 47 PHE C . 26637 1 389 . 1 1 47 47 PHE CA C 13 59.883 0.300 . 1 . . . . 47 PHE CA . 26637 1 390 . 1 1 47 47 PHE CB C 13 40.982 0.300 . 1 . . . . 47 PHE CB . 26637 1 391 . 1 1 47 47 PHE N N 15 117.290 0.300 . 1 . . . . 47 PHE N . 26637 1 392 . 1 1 48 48 ILE H H 1 8.054 0.020 . 1 . . . . 48 ILE H . 26637 1 393 . 1 1 48 48 ILE HA H 1 4.047 0.020 . 1 . . . . 48 ILE HA . 26637 1 394 . 1 1 48 48 ILE HB H 1 2.125 0.020 . 1 . . . . 48 ILE HB . 26637 1 395 . 1 1 48 48 ILE HG12 H 1 1.723 0.020 . 2 . . . . 48 ILE HG12 . 26637 1 396 . 1 1 48 48 ILE HG13 H 1 1.282 0.020 . 2 . . . . 48 ILE HG13 . 26637 1 397 . 1 1 48 48 ILE CA C 13 63.416 0.300 . 1 . . . . 48 ILE CA . 26637 1 398 . 1 1 48 48 ILE CB C 13 38.101 0.300 . 1 . . . . 48 ILE CB . 26637 1 399 . 1 1 48 48 ILE CG1 C 13 28.671 0.300 . 1 . . . . 48 ILE CG1 . 26637 1 400 . 1 1 48 48 ILE CG2 C 13 17.878 0.300 . 1 . . . . 48 ILE CG2 . 26637 1 401 . 1 1 48 48 ILE CD1 C 13 12.832 0.300 . 1 . . . . 48 ILE CD1 . 26637 1 402 . 1 1 48 48 ILE N N 15 116.083 0.300 . 1 . . . . 48 ILE N . 26637 1 403 . 1 1 50 50 PRO HA H 1 4.225 0.020 . 1 . . . . 50 PRO HA . 26637 1 404 . 1 1 50 50 PRO HB2 H 1 2.325 0.020 . 2 . . . . 50 PRO HB2 . 26637 1 405 . 1 1 50 50 PRO HB3 H 1 1.809 0.020 . 2 . . . . 50 PRO HB3 . 26637 1 406 . 1 1 50 50 PRO HG2 H 1 2.087 0.020 . 2 . . . . 50 PRO HG2 . 26637 1 407 . 1 1 50 50 PRO HG3 H 1 1.932 0.020 . 2 . . . . 50 PRO HG3 . 26637 1 408 . 1 1 50 50 PRO C C 13 179.003 0.300 . 1 . . . . 50 PRO C . 26637 1 409 . 1 1 50 50 PRO CA C 13 66.141 0.300 . 1 . . . . 50 PRO CA . 26637 1 410 . 1 1 50 50 PRO CB C 13 31.125 0.300 . 1 . . . . 50 PRO CB . 26637 1 411 . 1 1 50 50 PRO CG C 13 28.228 0.300 . 1 . . . . 50 PRO CG . 26637 1 412 . 1 1 50 50 PRO CD C 13 50.691 0.300 . 1 . . . . 50 PRO CD . 26637 1 413 . 1 1 51 51 MET H H 1 7.249 0.020 . 1 . . . . 51 MET H . 26637 1 414 . 1 1 51 51 MET HA H 1 4.275 0.020 . 1 . . . . 51 MET HA . 26637 1 415 . 1 1 51 51 MET HB2 H 1 2.122 0.020 . 2 . . . . 51 MET HB2 . 26637 1 416 . 1 1 51 51 MET HB3 H 1 2.258 0.020 . 2 . . . . 51 MET HB3 . 26637 1 417 . 1 1 51 51 MET HG2 H 1 2.526 0.020 . 2 . . . . 51 MET HG2 . 26637 1 418 . 1 1 51 51 MET HG3 H 1 2.673 0.020 . 2 . . . . 51 MET HG3 . 26637 1 419 . 1 1 51 51 MET C C 13 178.631 0.300 . 1 . . . . 51 MET C . 26637 1 420 . 1 1 51 51 MET CA C 13 58.482 0.300 . 1 . . . . 51 MET CA . 26637 1 421 . 1 1 51 51 MET CB C 13 32.541 0.300 . 1 . . . . 51 MET CB . 26637 1 422 . 1 1 51 51 MET CG C 13 32.429 0.300 . 1 . . . . 51 MET CG . 26637 1 423 . 1 1 51 51 MET CE C 13 17.323 0.300 . 1 . . . . 51 MET CE . 26637 1 424 . 1 1 51 51 MET N N 15 115.359 0.300 . 1 . . . . 51 MET N . 26637 1 425 . 1 1 52 52 LEU H H 1 8.067 0.020 . 1 . . . . 52 LEU H . 26637 1 426 . 1 1 52 52 LEU HA H 1 4.125 0.020 . 1 . . . . 52 LEU HA . 26637 1 427 . 1 1 52 52 LEU HB2 H 1 1.867 0.020 . 2 . . . . 52 LEU HB2 . 26637 1 428 . 1 1 52 52 LEU HB3 H 1 1.600 0.020 . 2 . . . . 52 LEU HB3 . 26637 1 429 . 1 1 52 52 LEU HG H 1 1.973 0.020 . 1 . . . . 52 LEU HG . 26637 1 430 . 1 1 52 52 LEU C C 13 178.459 0.300 . 1 . . . . 52 LEU C . 26637 1 431 . 1 1 52 52 LEU CA C 13 57.556 0.300 . 1 . . . . 52 LEU CA . 26637 1 432 . 1 1 52 52 LEU CB C 13 41.923 0.300 . 1 . . . . 52 LEU CB . 26637 1 433 . 1 1 52 52 LEU CG C 13 29.505 0.300 . 1 . . . . 52 LEU CG . 26637 1 434 . 1 1 52 52 LEU CD1 C 13 25.384 0.300 . 2 . . . . 52 LEU CD1 . 26637 1 435 . 1 1 52 52 LEU CD2 C 13 23.816 0.300 . 2 . . . . 52 LEU CD2 . 26637 1 436 . 1 1 52 52 LEU N N 15 120.172 0.300 . 1 . . . . 52 LEU N . 26637 1 437 . 1 1 53 53 ARG H H 1 8.287 0.020 . 1 . . . . 53 ARG H . 26637 1 438 . 1 1 53 53 ARG HA H 1 3.955 0.020 . 1 . . . . 53 ARG HA . 26637 1 439 . 1 1 53 53 ARG HB2 H 1 1.829 0.020 . 2 . . . . 53 ARG HB2 . 26637 1 440 . 1 1 53 53 ARG HB3 H 1 1.871 0.020 . 2 . . . . 53 ARG HB3 . 26637 1 441 . 1 1 53 53 ARG HG2 H 1 1.578 0.020 . 2 . . . . 53 ARG HG2 . 26637 1 442 . 1 1 53 53 ARG HG3 H 1 1.706 0.020 . 2 . . . . 53 ARG HG3 . 26637 1 443 . 1 1 53 53 ARG HD2 H 1 3.177 0.020 . 2 . . . . 53 ARG HD2 . 26637 1 444 . 1 1 53 53 ARG HD3 H 1 3.157 0.020 . 2 . . . . 53 ARG HD3 . 26637 1 445 . 1 1 53 53 ARG C C 13 177.926 0.300 . 1 . . . . 53 ARG C . 26637 1 446 . 1 1 53 53 ARG CA C 13 59.380 0.300 . 1 . . . . 53 ARG CA . 26637 1 447 . 1 1 53 53 ARG CB C 13 29.795 0.300 . 1 . . . . 53 ARG CB . 26637 1 448 . 1 1 53 53 ARG CG C 13 27.715 0.300 . 1 . . . . 53 ARG CG . 26637 1 449 . 1 1 53 53 ARG CD C 13 43.270 0.300 . 1 . . . . 53 ARG CD . 26637 1 450 . 1 1 53 53 ARG N N 15 117.795 0.300 . 1 . . . . 53 ARG N . 26637 1 451 . 1 1 54 54 HIS H H 1 8.125 0.020 . 1 . . . . 54 HIS H . 26637 1 452 . 1 1 54 54 HIS HA H 1 4.531 0.020 . 1 . . . . 54 HIS HA . 26637 1 453 . 1 1 54 54 HIS C C 13 176.470 0.300 . 1 . . . . 54 HIS C . 26637 1 454 . 1 1 54 54 HIS CA C 13 57.930 0.300 . 1 . . . . 54 HIS CA . 26637 1 455 . 1 1 54 54 HIS CB C 13 28.594 0.300 . 1 . . . . 54 HIS CB . 26637 1 456 . 1 1 54 54 HIS N N 15 115.807 0.300 . 1 . . . . 54 HIS N . 26637 1 457 . 1 1 55 55 SER H H 1 8.070 0.020 . 1 . . . . 55 SER H . 26637 1 458 . 1 1 55 55 SER HA H 1 4.336 0.020 . 1 . . . . 55 SER HA . 26637 1 459 . 1 1 55 55 SER HB2 H 1 4.008 0.020 . 2 . . . . 55 SER HB2 . 26637 1 460 . 1 1 55 55 SER HB3 H 1 3.900 0.020 . 2 . . . . 55 SER HB3 . 26637 1 461 . 1 1 55 55 SER C C 13 175.561 0.300 . 1 . . . . 55 SER C . 26637 1 462 . 1 1 55 55 SER CA C 13 61.648 0.300 . 1 . . . . 55 SER CA . 26637 1 463 . 1 1 55 55 SER CB C 13 63.703 0.300 . 1 . . . . 55 SER CB . 26637 1 464 . 1 1 55 55 SER N N 15 115.134 0.300 . 1 . . . . 55 SER N . 26637 1 465 . 1 1 56 56 ILE H H 1 7.943 0.020 . 1 . . . . 56 ILE H . 26637 1 466 . 1 1 56 56 ILE HA H 1 4.004 0.020 . 1 . . . . 56 ILE HA . 26637 1 467 . 1 1 56 56 ILE HB H 1 2.009 0.020 . 1 . . . . 56 ILE HB . 26637 1 468 . 1 1 56 56 ILE HG12 H 1 1.659 0.020 . 2 . . . . 56 ILE HG12 . 26637 1 469 . 1 1 56 56 ILE HG13 H 1 1.184 0.020 . 2 . . . . 56 ILE HG13 . 26637 1 470 . 1 1 56 56 ILE C C 13 177.695 0.300 . 1 . . . . 56 ILE C . 26637 1 471 . 1 1 56 56 ILE CA C 13 63.446 0.300 . 1 . . . . 56 ILE CA . 26637 1 472 . 1 1 56 56 ILE CB C 13 38.600 0.300 . 1 . . . . 56 ILE CB . 26637 1 473 . 1 1 56 56 ILE CG1 C 13 28.477 0.300 . 1 . . . . 56 ILE CG1 . 26637 1 474 . 1 1 56 56 ILE CG2 C 13 17.755 0.300 . 1 . . . . 56 ILE CG2 . 26637 1 475 . 1 1 56 56 ILE CD1 C 13 13.553 0.300 . 1 . . . . 56 ILE CD1 . 26637 1 476 . 1 1 56 56 ILE N N 15 119.758 0.300 . 1 . . . . 56 ILE N . 26637 1 477 . 1 1 57 57 GLU H H 1 8.118 0.020 . 1 . . . . 57 GLU H . 26637 1 478 . 1 1 57 57 GLU HA H 1 4.169 0.020 . 1 . . . . 57 GLU HA . 26637 1 479 . 1 1 57 57 GLU HG2 H 1 2.426 0.020 . 2 . . . . 57 GLU HG2 . 26637 1 480 . 1 1 57 57 GLU HG3 H 1 2.348 0.020 . 2 . . . . 57 GLU HG3 . 26637 1 481 . 1 1 57 57 GLU C C 13 177.230 0.300 . 1 . . . . 57 GLU C . 26637 1 482 . 1 1 57 57 GLU CA C 13 58.236 0.300 . 1 . . . . 57 GLU CA . 26637 1 483 . 1 1 57 57 GLU CB C 13 29.699 0.300 . 1 . . . . 57 GLU CB . 26637 1 484 . 1 1 57 57 GLU CG C 13 36.069 0.300 . 1 . . . . 57 GLU CG . 26637 1 485 . 1 1 57 57 GLU N N 15 120.275 0.300 . 1 . . . . 57 GLU N . 26637 1 486 . 1 1 58 58 ASN H H 1 7.906 0.020 . 1 . . . . 58 ASN H . 26637 1 487 . 1 1 58 58 ASN HA H 1 4.762 0.020 . 1 . . . . 58 ASN HA . 26637 1 488 . 1 1 58 58 ASN HB2 H 1 2.885 0.020 . 2 . . . . 58 ASN HB2 . 26637 1 489 . 1 1 58 58 ASN HB3 H 1 2.700 0.020 . 2 . . . . 58 ASN HB3 . 26637 1 490 . 1 1 58 58 ASN C C 13 175.081 0.300 . 1 . . . . 58 ASN C . 26637 1 491 . 1 1 58 58 ASN CA C 13 53.653 0.300 . 1 . . . . 58 ASN CA . 26637 1 492 . 1 1 58 58 ASN CB C 13 39.163 0.300 . 1 . . . . 58 ASN CB . 26637 1 493 . 1 1 58 58 ASN N N 15 116.498 0.300 . 1 . . . . 58 ASN N . 26637 1 494 . 1 1 59 59 SER H H 1 7.902 0.020 . 1 . . . . 59 SER H . 26637 1 495 . 1 1 59 59 SER HA H 1 4.484 0.020 . 1 . . . . 59 SER HA . 26637 1 496 . 1 1 59 59 SER C C 13 174.672 0.300 . 1 . . . . 59 SER C . 26637 1 497 . 1 1 59 59 SER CA C 13 59.183 0.300 . 1 . . . . 59 SER CA . 26637 1 498 . 1 1 59 59 SER CB C 13 64.221 0.300 . 1 . . . . 59 SER CB . 26637 1 499 . 1 1 59 59 SER N N 15 115.326 0.300 . 1 . . . . 59 SER N . 26637 1 500 . 1 1 60 60 SER H H 1 8.401 0.020 . 1 . . . . 60 SER H . 26637 1 501 . 1 1 60 60 SER HA H 1 4.495 0.020 . 1 . . . . 60 SER HA . 26637 1 502 . 1 1 60 60 SER C C 13 174.664 0.300 . 1 . . . . 60 SER C . 26637 1 503 . 1 1 60 60 SER CA C 13 59.018 0.300 . 1 . . . . 60 SER CA . 26637 1 504 . 1 1 60 60 SER CB C 13 63.749 0.300 . 1 . . . . 60 SER CB . 26637 1 505 . 1 1 60 60 SER N N 15 116.704 0.300 . 1 . . . . 60 SER N . 26637 1 506 . 1 1 61 61 VAL H H 1 7.942 0.020 . 1 . . . . 61 VAL H . 26637 1 507 . 1 1 61 61 VAL HA H 1 4.073 0.020 . 1 . . . . 61 VAL HA . 26637 1 508 . 1 1 61 61 VAL HB H 1 2.105 0.020 . 1 . . . . 61 VAL HB . 26637 1 509 . 1 1 61 61 VAL C C 13 175.335 0.300 . 1 . . . . 61 VAL C . 26637 1 510 . 1 1 61 61 VAL CA C 13 62.848 0.300 . 1 . . . . 61 VAL CA . 26637 1 511 . 1 1 61 61 VAL CB C 13 32.585 0.300 . 1 . . . . 61 VAL CB . 26637 1 512 . 1 1 61 61 VAL CG1 C 13 21.418 0.300 . 2 . . . . 61 VAL CG1 . 26637 1 513 . 1 1 61 61 VAL CG2 C 13 21.242 0.300 . 2 . . . . 61 VAL CG2 . 26637 1 514 . 1 1 61 61 VAL N N 15 120.377 0.300 . 1 . . . . 61 VAL N . 26637 1 515 . 1 1 62 62 ASN H H 1 8.366 0.020 . 1 . . . . 62 ASN H . 26637 1 516 . 1 1 62 62 ASN HA H 1 4.730 0.020 . 1 . . . . 62 ASN HA . 26637 1 517 . 1 1 62 62 ASN HB2 H 1 2.835 0.020 . 2 . . . . 62 ASN HB2 . 26637 1 518 . 1 1 62 62 ASN HB3 H 1 2.749 0.020 . 2 . . . . 62 ASN HB3 . 26637 1 519 . 1 1 62 62 ASN C C 13 175.038 0.300 . 1 . . . . 62 ASN C . 26637 1 520 . 1 1 62 62 ASN CA C 13 53.807 0.300 . 1 . . . . 62 ASN CA . 26637 1 521 . 1 1 62 62 ASN CB C 13 39.053 0.300 . 1 . . . . 62 ASN CB . 26637 1 522 . 1 1 62 62 ASN N N 15 122.120 0.300 . 1 . . . . 62 ASN N . 26637 1 523 . 1 1 63 63 VAL H H 1 7.933 0.020 . 1 . . . . 63 VAL H . 26637 1 524 . 1 1 63 63 VAL HA H 1 4.116 0.020 . 1 . . . . 63 VAL HA . 26637 1 525 . 1 1 63 63 VAL HB H 1 2.072 0.020 . 1 . . . . 63 VAL HB . 26637 1 526 . 1 1 63 63 VAL C C 13 175.079 0.300 . 1 . . . . 63 VAL C . 26637 1 527 . 1 1 63 63 VAL CA C 13 62.534 0.300 . 1 . . . . 63 VAL CA . 26637 1 528 . 1 1 63 63 VAL CB C 13 32.962 0.300 . 1 . . . . 63 VAL CB . 26637 1 529 . 1 1 63 63 VAL CG1 C 13 21.348 0.300 . 2 . . . . 63 VAL CG1 . 26637 1 530 . 1 1 63 63 VAL CG2 C 13 21.401 0.300 . 2 . . . . 63 VAL CG2 . 26637 1 531 . 1 1 63 63 VAL N N 15 119.931 0.300 . 1 . . . . 63 VAL N . 26637 1 532 . 1 1 64 64 SER H H 1 7.927 0.020 . 1 . . . . 64 SER H . 26637 1 533 . 1 1 64 64 SER HA H 1 4.669 0.020 . 1 . . . . 64 SER HA . 26637 1 534 . 1 1 64 64 SER HB2 H 1 4.070 0.020 . 2 . . . . 64 SER HB2 . 26637 1 535 . 1 1 64 64 SER HB3 H 1 3.886 0.020 . 2 . . . . 64 SER HB3 . 26637 1 536 . 1 1 64 64 SER C C 13 175.328 0.300 . 1 . . . . 64 SER C . 26637 1 537 . 1 1 64 64 SER CA C 13 57.608 0.300 . 1 . . . . 64 SER CA . 26637 1 538 . 1 1 64 64 SER CB C 13 64.087 0.300 . 1 . . . . 64 SER CB . 26637 1 539 . 1 1 64 64 SER N N 15 117.933 0.300 . 1 . . . . 64 SER N . 26637 1 540 . 1 1 65 65 LEU H H 1 8.833 0.020 . 1 . . . . 65 LEU H . 26637 1 541 . 1 1 65 65 LEU HA H 1 4.100 0.020 . 1 . . . . 65 LEU HA . 26637 1 542 . 1 1 65 65 LEU HB2 H 1 1.880 0.020 . 2 . . . . 65 LEU HB2 . 26637 1 543 . 1 1 65 65 LEU HB3 H 1 1.619 0.020 . 2 . . . . 65 LEU HB3 . 26637 1 544 . 1 1 65 65 LEU HG H 1 1.824 0.020 . 1 . . . . 65 LEU HG . 26637 1 545 . 1 1 65 65 LEU C C 13 178.728 0.300 . 1 . . . . 65 LEU C . 26637 1 546 . 1 1 65 65 LEU CA C 13 57.999 0.300 . 1 . . . . 65 LEU CA . 26637 1 547 . 1 1 65 65 LEU CB C 13 41.438 0.300 . 1 . . . . 65 LEU CB . 26637 1 548 . 1 1 65 65 LEU CG C 13 27.084 0.300 . 1 . . . . 65 LEU CG . 26637 1 549 . 1 1 65 65 LEU CD1 C 13 25.111 0.300 . 2 . . . . 65 LEU CD1 . 26637 1 550 . 1 1 65 65 LEU CD2 C 13 24.084 0.300 . 2 . . . . 65 LEU CD2 . 26637 1 551 . 1 1 65 65 LEU N N 15 124.777 0.300 . 1 . . . . 65 LEU N . 26637 1 552 . 1 1 66 66 THR H H 1 8.085 0.020 . 1 . . . . 66 THR H . 26637 1 553 . 1 1 66 66 THR HA H 1 3.890 0.020 . 1 . . . . 66 THR HA . 26637 1 554 . 1 1 66 66 THR HB H 1 4.106 0.020 . 1 . . . . 66 THR HB . 26637 1 555 . 1 1 66 66 THR C C 13 176.093 0.300 . 1 . . . . 66 THR C . 26637 1 556 . 1 1 66 66 THR CA C 13 66.244 0.300 . 1 . . . . 66 THR CA . 26637 1 557 . 1 1 66 66 THR CB C 13 68.690 0.300 . 1 . . . . 66 THR CB . 26637 1 558 . 1 1 66 66 THR CG2 C 13 21.907 0.300 . 1 . . . . 66 THR CG2 . 26637 1 559 . 1 1 66 66 THR N N 15 113.024 0.300 . 1 . . . . 66 THR N . 26637 1 560 . 1 1 67 67 ALA H H 1 7.758 0.020 . 1 . . . . 67 ALA H . 26637 1 561 . 1 1 67 67 ALA HA H 1 4.239 0.020 . 1 . . . . 67 ALA HA . 26637 1 562 . 1 1 67 67 ALA C C 13 180.650 0.300 . 1 . . . . 67 ALA C . 26637 1 563 . 1 1 67 67 ALA CA C 13 55.157 0.300 . 1 . . . . 67 ALA CA . 26637 1 564 . 1 1 67 67 ALA CB C 13 18.460 0.300 . 1 . . . . 67 ALA CB . 26637 1 565 . 1 1 67 67 ALA N N 15 124.075 0.300 . 1 . . . . 67 ALA N . 26637 1 566 . 1 1 68 68 ILE H H 1 7.818 0.020 . 1 . . . . 68 ILE H . 26637 1 567 . 1 1 68 68 ILE HA H 1 3.769 0.020 . 1 . . . . 68 ILE HA . 26637 1 568 . 1 1 68 68 ILE HB H 1 2.015 0.020 . 1 . . . . 68 ILE HB . 26637 1 569 . 1 1 68 68 ILE HG12 H 1 1.853 0.020 . 2 . . . . 68 ILE HG12 . 26637 1 570 . 1 1 68 68 ILE HG13 H 1 1.144 0.020 . 2 . . . . 68 ILE HG13 . 26637 1 571 . 1 1 68 68 ILE C C 13 177.353 0.300 . 1 . . . . 68 ILE C . 26637 1 572 . 1 1 68 68 ILE CA C 13 64.863 0.300 . 1 . . . . 68 ILE CA . 26637 1 573 . 1 1 68 68 ILE CB C 13 37.909 0.300 . 1 . . . . 68 ILE CB . 26637 1 574 . 1 1 68 68 ILE CG1 C 13 28.897 0.300 . 1 . . . . 68 ILE CG1 . 26637 1 575 . 1 1 68 68 ILE CG2 C 13 17.672 0.300 . 1 . . . . 68 ILE CG2 . 26637 1 576 . 1 1 68 68 ILE CD1 C 13 13.561 0.300 . 1 . . . . 68 ILE CD1 . 26637 1 577 . 1 1 68 68 ILE N N 15 117.752 0.300 . 1 . . . . 68 ILE N . 26637 1 578 . 1 1 69 69 ALA H H 1 8.361 0.020 . 1 . . . . 69 ALA H . 26637 1 579 . 1 1 69 69 ALA HA H 1 3.966 0.020 . 1 . . . . 69 ALA HA . 26637 1 580 . 1 1 69 69 ALA C C 13 179.746 0.300 . 1 . . . . 69 ALA C . 26637 1 581 . 1 1 69 69 ALA CA C 13 55.427 0.300 . 1 . . . . 69 ALA CA . 26637 1 582 . 1 1 69 69 ALA CB C 13 18.138 0.300 . 1 . . . . 69 ALA CB . 26637 1 583 . 1 1 69 69 ALA N N 15 121.998 0.300 . 1 . . . . 69 ALA N . 26637 1 584 . 1 1 70 70 ASN H H 1 8.268 0.020 . 1 . . . . 70 ASN H . 26637 1 585 . 1 1 70 70 ASN HA H 1 4.520 0.020 . 1 . . . . 70 ASN HA . 26637 1 586 . 1 1 70 70 ASN HB2 H 1 2.961 0.020 . 2 . . . . 70 ASN HB2 . 26637 1 587 . 1 1 70 70 ASN HB3 H 1 2.869 0.020 . 2 . . . . 70 ASN HB3 . 26637 1 588 . 1 1 70 70 ASN C C 13 177.749 0.300 . 1 . . . . 70 ASN C . 26637 1 589 . 1 1 70 70 ASN CA C 13 56.069 0.300 . 1 . . . . 70 ASN CA . 26637 1 590 . 1 1 70 70 ASN CB C 13 38.635 0.300 . 1 . . . . 70 ASN CB . 26637 1 591 . 1 1 70 70 ASN N N 15 115.516 0.300 . 1 . . . . 70 ASN N . 26637 1 592 . 1 1 71 71 GLN H H 1 8.036 0.020 . 1 . . . . 71 GLN H . 26637 1 593 . 1 1 71 71 GLN HA H 1 4.275 0.020 . 1 . . . . 71 GLN HA . 26637 1 594 . 1 1 71 71 GLN HG2 H 1 2.385 0.020 . 2 . . . . 71 GLN HG2 . 26637 1 595 . 1 1 71 71 GLN HG3 H 1 2.525 0.020 . 2 . . . . 71 GLN HG3 . 26637 1 596 . 1 1 71 71 GLN C C 13 178.003 0.300 . 1 . . . . 71 GLN C . 26637 1 597 . 1 1 71 71 GLN CA C 13 57.833 0.300 . 1 . . . . 71 GLN CA . 26637 1 598 . 1 1 71 71 GLN CB C 13 28.437 0.300 . 1 . . . . 71 GLN CB . 26637 1 599 . 1 1 71 71 GLN CG C 13 33.673 0.300 . 1 . . . . 71 GLN CG . 26637 1 600 . 1 1 71 71 GLN N N 15 118.709 0.300 . 1 . . . . 71 GLN N . 26637 1 601 . 1 1 72 72 ALA H H 1 8.485 0.020 . 1 . . . . 72 ALA H . 26637 1 602 . 1 1 72 72 ALA HA H 1 4.023 0.020 . 1 . . . . 72 ALA HA . 26637 1 603 . 1 1 72 72 ALA C C 13 178.740 0.300 . 1 . . . . 72 ALA C . 26637 1 604 . 1 1 72 72 ALA CA C 13 55.480 0.300 . 1 . . . . 72 ALA CA . 26637 1 605 . 1 1 72 72 ALA CB C 13 18.357 0.300 . 1 . . . . 72 ALA CB . 26637 1 606 . 1 1 72 72 ALA N N 15 121.297 0.300 . 1 . . . . 72 ALA N . 26637 1 607 . 1 1 73 73 THR H H 1 7.933 0.020 . 1 . . . . 73 THR H . 26637 1 608 . 1 1 73 73 THR HA H 1 3.943 0.020 . 1 . . . . 73 THR HA . 26637 1 609 . 1 1 73 73 THR HB H 1 4.347 0.020 . 1 . . . . 73 THR HB . 26637 1 610 . 1 1 73 73 THR C C 13 177.132 0.300 . 1 . . . . 73 THR C . 26637 1 611 . 1 1 73 73 THR CA C 13 66.405 0.300 . 1 . . . . 73 THR CA . 26637 1 612 . 1 1 73 73 THR CB C 13 68.747 0.300 . 1 . . . . 73 THR CB . 26637 1 613 . 1 1 73 73 THR CG2 C 13 21.875 0.300 . 1 . . . . 73 THR CG2 . 26637 1 614 . 1 1 73 73 THR N N 15 110.753 0.300 . 1 . . . . 73 THR N . 26637 1 615 . 1 1 74 74 VAL H H 1 7.603 0.020 . 1 . . . . 74 VAL H . 26637 1 616 . 1 1 74 74 VAL HA H 1 3.816 0.020 . 1 . . . . 74 VAL HA . 26637 1 617 . 1 1 74 74 VAL HB H 1 2.255 0.020 . 1 . . . . 74 VAL HB . 26637 1 618 . 1 1 74 74 VAL C C 13 178.755 0.300 . 1 . . . . 74 VAL C . 26637 1 619 . 1 1 74 74 VAL CA C 13 65.787 0.300 . 1 . . . . 74 VAL CA . 26637 1 620 . 1 1 74 74 VAL CB C 13 31.767 0.300 . 1 . . . . 74 VAL CB . 26637 1 621 . 1 1 74 74 VAL CG1 C 13 22.101 0.300 . 2 . . . . 74 VAL CG1 . 26637 1 622 . 1 1 74 74 VAL CG2 C 13 21.228 0.300 . 2 . . . . 74 VAL CG2 . 26637 1 623 . 1 1 74 74 VAL N N 15 122.207 0.300 . 1 . . . . 74 VAL N . 26637 1 624 . 1 1 75 75 LEU H H 1 7.953 0.020 . 1 . . . . 75 LEU H . 26637 1 625 . 1 1 75 75 LEU HA H 1 4.107 0.020 . 1 . . . . 75 LEU HA . 26637 1 626 . 1 1 75 75 LEU HB2 H 1 1.878 0.020 . 2 . . . . 75 LEU HB2 . 26637 1 627 . 1 1 75 75 LEU HB3 H 1 1.581 0.020 . 2 . . . . 75 LEU HB3 . 26637 1 628 . 1 1 75 75 LEU HG H 1 1.803 0.020 . 1 . . . . 75 LEU HG . 26637 1 629 . 1 1 75 75 LEU C C 13 178.336 0.300 . 1 . . . . 75 LEU C . 26637 1 630 . 1 1 75 75 LEU CA C 13 57.606 0.300 . 1 . . . . 75 LEU CA . 26637 1 631 . 1 1 75 75 LEU CB C 13 41.994 0.300 . 1 . . . . 75 LEU CB . 26637 1 632 . 1 1 75 75 LEU CG C 13 27.136 0.300 . 1 . . . . 75 LEU CG . 26637 1 633 . 1 1 75 75 LEU CD1 C 13 23.895 0.300 . 2 . . . . 75 LEU CD1 . 26637 1 634 . 1 1 75 75 LEU CD2 C 13 25.239 0.300 . 2 . . . . 75 LEU CD2 . 26637 1 635 . 1 1 75 75 LEU N N 15 119.754 0.300 . 1 . . . . 75 LEU N . 26637 1 636 . 1 1 76 76 MET H H 1 8.042 0.020 . 1 . . . . 76 MET H . 26637 1 637 . 1 1 76 76 MET HA H 1 4.190 0.020 . 1 . . . . 76 MET HA . 26637 1 638 . 1 1 76 76 MET HG2 H 1 2.536 0.020 . 2 . . . . 76 MET HG2 . 26637 1 639 . 1 1 76 76 MET HG3 H 1 2.707 0.020 . 2 . . . . 76 MET HG3 . 26637 1 640 . 1 1 76 76 MET C C 13 177.683 0.300 . 1 . . . . 76 MET C . 26637 1 641 . 1 1 76 76 MET CA C 13 57.847 0.300 . 1 . . . . 76 MET CA . 26637 1 642 . 1 1 76 76 MET CB C 13 33.017 0.300 . 1 . . . . 76 MET CB . 26637 1 643 . 1 1 76 76 MET CG C 13 32.891 0.300 . 1 . . . . 76 MET CG . 26637 1 644 . 1 1 76 76 MET CE C 13 17.503 0.300 . 1 . . . . 76 MET CE . 26637 1 645 . 1 1 76 76 MET N N 15 115.321 0.300 . 1 . . . . 76 MET N . 26637 1 646 . 1 1 77 77 GLY H H 1 7.801 0.020 . 1 . . . . 77 GLY H . 26637 1 647 . 1 1 77 77 GLY HA2 H 1 3.960 0.020 . 2 . . . . 77 GLY HA2 . 26637 1 648 . 1 1 77 77 GLY HA3 H 1 4.020 0.020 . 2 . . . . 77 GLY HA3 . 26637 1 649 . 1 1 77 77 GLY C C 13 175.637 0.300 . 1 . . . . 77 GLY C . 26637 1 650 . 1 1 77 77 GLY CA C 13 46.334 0.300 . 1 . . . . 77 GLY CA . 26637 1 651 . 1 1 77 77 GLY N N 15 105.807 0.300 . 1 . . . . 77 GLY N . 26637 1 652 . 1 1 78 78 LEU H H 1 7.735 0.020 . 1 . . . . 78 LEU H . 26637 1 653 . 1 1 78 78 LEU HA H 1 4.239 0.020 . 1 . . . . 78 LEU HA . 26637 1 654 . 1 1 78 78 LEU HB2 H 1 1.864 0.020 . 2 . . . . 78 LEU HB2 . 26637 1 655 . 1 1 78 78 LEU HB3 H 1 1.552 0.020 . 2 . . . . 78 LEU HB3 . 26637 1 656 . 1 1 78 78 LEU HG H 1 1.839 0.020 . 1 . . . . 78 LEU HG . 26637 1 657 . 1 1 78 78 LEU C C 13 178.203 0.300 . 1 . . . . 78 LEU C . 26637 1 658 . 1 1 78 78 LEU CA C 13 56.359 0.300 . 1 . . . . 78 LEU CA . 26637 1 659 . 1 1 78 78 LEU CB C 13 42.254 0.300 . 1 . . . . 78 LEU CB . 26637 1 660 . 1 1 78 78 LEU CG C 13 26.790 0.300 . 1 . . . . 78 LEU CG . 26637 1 661 . 1 1 78 78 LEU CD1 C 13 23.728 0.300 . 2 . . . . 78 LEU CD1 . 26637 1 662 . 1 1 78 78 LEU CD2 C 13 25.335 0.300 . 2 . . . . 78 LEU CD2 . 26637 1 663 . 1 1 78 78 LEU N N 15 120.501 0.300 . 1 . . . . 78 LEU N . 26637 1 664 . 1 1 79 79 GLY H H 1 8.095 0.020 . 1 . . . . 79 GLY H . 26637 1 665 . 1 1 79 79 GLY HA2 H 1 3.720 0.020 . 2 . . . . 79 GLY HA2 . 26637 1 666 . 1 1 79 79 GLY HA3 H 1 3.641 0.020 . 2 . . . . 79 GLY HA3 . 26637 1 667 . 1 1 79 79 GLY C C 13 174.155 0.300 . 1 . . . . 79 GLY C . 26637 1 668 . 1 1 79 79 GLY CA C 13 45.909 0.300 . 1 . . . . 79 GLY CA . 26637 1 669 . 1 1 79 79 GLY N N 15 106.049 0.300 . 1 . . . . 79 GLY N . 26637 1 670 . 1 1 80 80 LYS H H 1 7.753 0.020 . 1 . . . . 80 LYS H . 26637 1 671 . 1 1 80 80 LYS HA H 1 4.244 0.020 . 1 . . . . 80 LYS HA . 26637 1 672 . 1 1 80 80 LYS HB2 H 1 1.873 0.020 . 2 . . . . 80 LYS HB2 . 26637 1 673 . 1 1 80 80 LYS HB3 H 1 1.805 0.020 . 2 . . . . 80 LYS HB3 . 26637 1 674 . 1 1 80 80 LYS HG2 H 1 1.446 0.020 . 2 . . . . 80 LYS HG2 . 26637 1 675 . 1 1 80 80 LYS HG3 H 1 1.494 0.020 . 2 . . . . 80 LYS HG3 . 26637 1 676 . 1 1 80 80 LYS C C 13 176.888 0.300 . 1 . . . . 80 LYS C . 26637 1 677 . 1 1 80 80 LYS CA C 13 57.112 0.300 . 1 . . . . 80 LYS CA . 26637 1 678 . 1 1 80 80 LYS CB C 13 32.562 0.300 . 1 . . . . 80 LYS CB . 26637 1 679 . 1 1 80 80 LYS CG C 13 24.885 0.300 . 1 . . . . 80 LYS CG . 26637 1 680 . 1 1 80 80 LYS CD C 13 29.212 0.300 . 1 . . . . 80 LYS CD . 26637 1 681 . 1 1 80 80 LYS CE C 13 41.956 0.300 . 1 . . . . 80 LYS CE . 26637 1 682 . 1 1 80 80 LYS N N 15 118.945 0.300 . 1 . . . . 80 LYS N . 26637 1 683 . 1 1 81 81 GLY H H 1 8.141 0.020 . 1 . . . . 81 GLY H . 26637 1 684 . 1 1 81 81 GLY C C 13 173.751 0.300 . 1 . . . . 81 GLY C . 26637 1 685 . 1 1 81 81 GLY CA C 13 45.123 0.300 . 1 . . . . 81 GLY CA . 26637 1 686 . 1 1 81 81 GLY N N 15 107.729 0.300 . 1 . . . . 81 GLY N . 26637 1 687 . 1 1 82 82 TRP H H 1 8.022 0.020 . 1 . . . . 82 TRP H . 26637 1 688 . 1 1 82 82 TRP HA H 1 4.914 0.020 . 1 . . . . 82 TRP HA . 26637 1 689 . 1 1 82 82 TRP HE1 H 1 10.095 0.020 . 1 . . . . 82 TRP HE1 . 26637 1 690 . 1 1 82 82 TRP C C 13 175.397 0.300 . 1 . . . . 82 TRP C . 26637 1 691 . 1 1 82 82 TRP CA C 13 55.438 0.300 . 1 . . . . 82 TRP CA . 26637 1 692 . 1 1 82 82 TRP CB C 13 29.393 0.300 . 1 . . . . 82 TRP CB . 26637 1 693 . 1 1 82 82 TRP N N 15 122.187 0.300 . 1 . . . . 82 TRP N . 26637 1 694 . 1 1 82 82 TRP NE1 N 15 128.859 0.300 . 1 . . . . 82 TRP NE1 . 26637 1 695 . 1 1 83 83 PRO HA H 1 4.581 0.020 . 1 . . . . 83 PRO HA . 26637 1 696 . 1 1 83 83 PRO HB2 H 1 2.010 0.020 . 2 . . . . 83 PRO HB2 . 26637 1 697 . 1 1 83 83 PRO HB3 H 1 2.152 0.020 . 2 . . . . 83 PRO HB3 . 26637 1 698 . 1 1 83 83 PRO HG2 H 1 1.844 0.020 . 2 . . . . 83 PRO HG2 . 26637 1 699 . 1 1 83 83 PRO HG3 H 1 2.003 0.020 . 2 . . . . 83 PRO HG3 . 26637 1 700 . 1 1 83 83 PRO HD2 H 1 3.859 0.020 . 2 . . . . 83 PRO HD2 . 26637 1 701 . 1 1 83 83 PRO HD3 H 1 3.373 0.020 . 2 . . . . 83 PRO HD3 . 26637 1 702 . 1 1 83 83 PRO C C 13 176.428 0.300 . 1 . . . . 83 PRO C . 26637 1 703 . 1 1 83 83 PRO CA C 13 63.593 0.300 . 1 . . . . 83 PRO CA . 26637 1 704 . 1 1 83 83 PRO CB C 13 30.783 0.300 . 1 . . . . 83 PRO CB . 26637 1 705 . 1 1 83 83 PRO CG C 13 27.627 0.300 . 1 . . . . 83 PRO CG . 26637 1 706 . 1 1 83 83 PRO CD C 13 50.550 0.300 . 1 . . . . 83 PRO CD . 26637 1 707 . 1 1 84 84 LEU H H 1 7.443 0.020 . 1 . . . . 84 LEU H . 26637 1 708 . 1 1 84 84 LEU HA H 1 4.273 0.020 . 1 . . . . 84 LEU HA . 26637 1 709 . 1 1 84 84 LEU HG H 1 1.628 0.020 . 1 . . . . 84 LEU HG . 26637 1 710 . 1 1 84 84 LEU C C 13 177.378 0.300 . 1 . . . . 84 LEU C . 26637 1 711 . 1 1 84 84 LEU CA C 13 56.091 0.300 . 1 . . . . 84 LEU CA . 26637 1 712 . 1 1 84 84 LEU CB C 13 42.192 0.300 . 1 . . . . 84 LEU CB . 26637 1 713 . 1 1 84 84 LEU CG C 13 27.450 0.300 . 1 . . . . 84 LEU CG . 26637 1 714 . 1 1 84 84 LEU CD1 C 13 25.570 0.300 . 2 . . . . 84 LEU CD1 . 26637 1 715 . 1 1 84 84 LEU CD2 C 13 23.744 0.300 . 2 . . . . 84 LEU CD2 . 26637 1 716 . 1 1 84 84 LEU N N 15 119.951 0.300 . 1 . . . . 84 LEU N . 26637 1 717 . 1 1 85 85 SER H H 1 8.114 0.020 . 1 . . . . 85 SER H . 26637 1 718 . 1 1 85 85 SER HA H 1 4.371 0.020 . 1 . . . . 85 SER HA . 26637 1 719 . 1 1 85 85 SER HB2 H 1 4.002 0.020 . 2 . . . . 85 SER HB2 . 26637 1 720 . 1 1 85 85 SER HB3 H 1 3.964 0.020 . 2 . . . . 85 SER HB3 . 26637 1 721 . 1 1 85 85 SER C C 13 174.955 0.300 . 1 . . . . 85 SER C . 26637 1 722 . 1 1 85 85 SER CA C 13 59.512 0.300 . 1 . . . . 85 SER CA . 26637 1 723 . 1 1 85 85 SER CB C 13 63.748 0.300 . 1 . . . . 85 SER CB . 26637 1 724 . 1 1 85 85 SER N N 15 113.285 0.300 . 1 . . . . 85 SER N . 26637 1 725 . 1 1 86 86 LYS H H 1 7.956 0.020 . 1 . . . . 86 LYS H . 26637 1 726 . 1 1 86 86 LYS HA H 1 4.336 0.020 . 1 . . . . 86 LYS HA . 26637 1 727 . 1 1 86 86 LYS HB2 H 1 1.759 0.020 . 2 . . . . 86 LYS HB2 . 26637 1 728 . 1 1 86 86 LYS HB3 H 1 1.924 0.020 . 2 . . . . 86 LYS HB3 . 26637 1 729 . 1 1 86 86 LYS C C 13 176.416 0.300 . 1 . . . . 86 LYS C . 26637 1 730 . 1 1 86 86 LYS CA C 13 56.499 0.300 . 1 . . . . 86 LYS CA . 26637 1 731 . 1 1 86 86 LYS CB C 13 32.550 0.300 . 1 . . . . 86 LYS CB . 26637 1 732 . 1 1 86 86 LYS CG C 13 24.866 0.300 . 1 . . . . 86 LYS CG . 26637 1 733 . 1 1 86 86 LYS CD C 13 28.906 0.300 . 1 . . . . 86 LYS CD . 26637 1 734 . 1 1 86 86 LYS CE C 13 41.973 0.300 . 1 . . . . 86 LYS CE . 26637 1 735 . 1 1 86 86 LYS N N 15 120.391 0.300 . 1 . . . . 86 LYS N . 26637 1 736 . 1 1 87 87 MET H H 1 7.829 0.020 . 1 . . . . 87 MET H . 26637 1 737 . 1 1 87 87 MET HA H 1 4.415 0.020 . 1 . . . . 87 MET HA . 26637 1 738 . 1 1 87 87 MET HB2 H 1 2.049 0.020 . 2 . . . . 87 MET HB2 . 26637 1 739 . 1 1 87 87 MET HB3 H 1 2.075 0.020 . 2 . . . . 87 MET HB3 . 26637 1 740 . 1 1 87 87 MET HG2 H 1 2.515 0.020 . 2 . . . . 87 MET HG2 . 26637 1 741 . 1 1 87 87 MET HG3 H 1 2.571 0.020 . 2 . . . . 87 MET HG3 . 26637 1 742 . 1 1 87 87 MET C C 13 175.131 0.300 . 1 . . . . 87 MET C . 26637 1 743 . 1 1 87 87 MET CA C 13 55.839 0.300 . 1 . . . . 87 MET CA . 26637 1 744 . 1 1 87 87 MET CB C 13 33.636 0.300 . 1 . . . . 87 MET CB . 26637 1 745 . 1 1 87 87 MET CG C 13 32.400 0.300 . 1 . . . . 87 MET CG . 26637 1 746 . 1 1 87 87 MET CE C 13 17.557 0.300 . 1 . . . . 87 MET CE . 26637 1 747 . 1 1 87 87 MET N N 15 118.900 0.300 . 1 . . . . 87 MET N . 26637 1 748 . 1 1 88 88 ASP H H 1 8.134 0.020 . 1 . . . . 88 ASP H . 26637 1 749 . 1 1 88 88 ASP HA H 1 4.705 0.020 . 1 . . . . 88 ASP HA . 26637 1 750 . 1 1 88 88 ASP HB2 H 1 2.661 0.020 . 2 . . . . 88 ASP HB2 . 26637 1 751 . 1 1 88 88 ASP HB3 H 1 2.824 0.020 . 2 . . . . 88 ASP HB3 . 26637 1 752 . 1 1 88 88 ASP C C 13 176.236 0.300 . 1 . . . . 88 ASP C . 26637 1 753 . 1 1 88 88 ASP CA C 13 54.046 0.300 . 1 . . . . 88 ASP CA . 26637 1 754 . 1 1 88 88 ASP CB C 13 41.013 0.300 . 1 . . . . 88 ASP CB . 26637 1 755 . 1 1 88 88 ASP N N 15 121.015 0.300 . 1 . . . . 88 ASP N . 26637 1 756 . 1 1 89 89 ILE H H 1 7.960 0.020 . 1 . . . . 89 ILE H . 26637 1 757 . 1 1 89 89 ILE HA H 1 4.161 0.020 . 1 . . . . 89 ILE HA . 26637 1 758 . 1 1 89 89 ILE HB H 1 1.959 0.020 . 1 . . . . 89 ILE HB . 26637 1 759 . 1 1 89 89 ILE HG12 H 1 1.502 0.020 . 2 . . . . 89 ILE HG12 . 26637 1 760 . 1 1 89 89 ILE HG13 H 1 1.253 0.020 . 2 . . . . 89 ILE HG13 . 26637 1 761 . 1 1 89 89 ILE C C 13 175.598 0.300 . 1 . . . . 89 ILE C . 26637 1 762 . 1 1 89 89 ILE CA C 13 61.718 0.300 . 1 . . . . 89 ILE CA . 26637 1 763 . 1 1 89 89 ILE CB C 13 38.887 0.300 . 1 . . . . 89 ILE CB . 26637 1 764 . 1 1 89 89 ILE CG1 C 13 27.637 0.300 . 1 . . . . 89 ILE CG1 . 26637 1 765 . 1 1 89 89 ILE CG2 C 13 18.054 0.300 . 1 . . . . 89 ILE CG2 . 26637 1 766 . 1 1 89 89 ILE CD1 C 13 13.703 0.300 . 1 . . . . 89 ILE CD1 . 26637 1 767 . 1 1 89 89 ILE N N 15 119.570 0.300 . 1 . . . . 89 ILE N . 26637 1 768 . 1 1 90 90 GLY H H 1 8.315 0.020 . 1 . . . . 90 GLY H . 26637 1 769 . 1 1 90 90 GLY C C 13 174.460 0.300 . 1 . . . . 90 GLY C . 26637 1 770 . 1 1 90 90 GLY CA C 13 46.116 0.300 . 1 . . . . 90 GLY CA . 26637 1 771 . 1 1 90 90 GLY N N 15 109.091 0.300 . 1 . . . . 90 GLY N . 26637 1 772 . 1 1 91 91 VAL H H 1 7.813 0.020 . 1 . . . . 91 VAL H . 26637 1 773 . 1 1 91 91 VAL HA H 1 4.149 0.020 . 1 . . . . 91 VAL HA . 26637 1 774 . 1 1 91 91 VAL HB H 1 2.194 0.020 . 1 . . . . 91 VAL HB . 26637 1 775 . 1 1 91 91 VAL CA C 13 63.816 0.300 . 1 . . . . 91 VAL CA . 26637 1 776 . 1 1 91 91 VAL CB C 13 31.251 0.300 . 1 . . . . 91 VAL CB . 26637 1 777 . 1 1 91 91 VAL CG1 C 13 21.967 0.300 . 2 . . . . 91 VAL CG1 . 26637 1 778 . 1 1 91 91 VAL CG2 C 13 21.529 0.300 . 2 . . . . 91 VAL CG2 . 26637 1 779 . 1 1 91 91 VAL N N 15 119.188 0.300 . 1 . . . . 91 VAL N . 26637 1 780 . 1 1 92 92 PRO HA H 1 4.434 0.020 . 1 . . . . 92 PRO HA . 26637 1 781 . 1 1 92 92 PRO HB2 H 1 2.238 0.020 . 2 . . . . 92 PRO HB2 . 26637 1 782 . 1 1 92 92 PRO HB3 H 1 1.902 0.020 . 2 . . . . 92 PRO HB3 . 26637 1 783 . 1 1 92 92 PRO HG2 H 1 2.120 0.020 . 2 . . . . 92 PRO HG2 . 26637 1 784 . 1 1 92 92 PRO HG3 H 1 1.963 0.020 . 2 . . . . 92 PRO HG3 . 26637 1 785 . 1 1 92 92 PRO HD2 H 1 3.811 0.020 . 2 . . . . 92 PRO HD2 . 26637 1 786 . 1 1 92 92 PRO HD3 H 1 3.727 0.020 . 2 . . . . 92 PRO HD3 . 26637 1 787 . 1 1 92 92 PRO C C 13 176.965 0.300 . 1 . . . . 92 PRO C . 26637 1 788 . 1 1 92 92 PRO CA C 13 64.486 0.300 . 1 . . . . 92 PRO CA . 26637 1 789 . 1 1 92 92 PRO CB C 13 31.353 0.300 . 1 . . . . 92 PRO CB . 26637 1 790 . 1 1 92 92 PRO CG C 13 27.893 0.300 . 1 . . . . 92 PRO CG . 26637 1 791 . 1 1 92 92 PRO CD C 13 50.366 0.300 . 1 . . . . 92 PRO CD . 26637 1 792 . 1 1 93 93 LEU H H 1 7.732 0.020 . 1 . . . . 93 LEU H . 26637 1 793 . 1 1 93 93 LEU HA H 1 4.144 0.020 . 1 . . . . 93 LEU HA . 26637 1 794 . 1 1 93 93 LEU C C 13 178.315 0.300 . 1 . . . . 93 LEU C . 26637 1 795 . 1 1 93 93 LEU CA C 13 57.180 0.300 . 1 . . . . 93 LEU CA . 26637 1 796 . 1 1 93 93 LEU CB C 13 41.955 0.300 . 1 . . . . 93 LEU CB . 26637 1 797 . 1 1 93 93 LEU N N 15 117.985 0.300 . 1 . . . . 93 LEU N . 26637 1 798 . 1 1 94 94 LEU H H 1 7.974 0.020 . 1 . . . . 94 LEU H . 26637 1 799 . 1 1 94 94 LEU HA H 1 4.237 0.020 . 1 . . . . 94 LEU HA . 26637 1 800 . 1 1 94 94 LEU C C 13 178.053 0.300 . 1 . . . . 94 LEU C . 26637 1 801 . 1 1 94 94 LEU CA C 13 56.500 0.300 . 1 . . . . 94 LEU CA . 26637 1 802 . 1 1 94 94 LEU CB C 13 42.090 0.300 . 1 . . . . 94 LEU CB . 26637 1 803 . 1 1 94 94 LEU CG C 13 27.091 0.300 . 1 . . . . 94 LEU CG . 26637 1 804 . 1 1 94 94 LEU CD1 C 13 24.899 0.300 . 2 . . . . 94 LEU CD1 . 26637 1 805 . 1 1 94 94 LEU CD2 C 13 23.924 0.300 . 2 . . . . 94 LEU CD2 . 26637 1 806 . 1 1 94 94 LEU N N 15 119.131 0.300 . 1 . . . . 94 LEU N . 26637 1 807 . 1 1 95 95 ALA H H 1 7.884 0.020 . 1 . . . . 95 ALA H . 26637 1 808 . 1 1 95 95 ALA HA H 1 4.290 0.020 . 1 . . . . 95 ALA HA . 26637 1 809 . 1 1 95 95 ALA C C 13 178.535 0.300 . 1 . . . . 95 ALA C . 26637 1 810 . 1 1 95 95 ALA CA C 13 53.679 0.300 . 1 . . . . 95 ALA CA . 26637 1 811 . 1 1 95 95 ALA CB C 13 18.830 0.300 . 1 . . . . 95 ALA CB . 26637 1 812 . 1 1 95 95 ALA N N 15 121.641 0.300 . 1 . . . . 95 ALA N . 26637 1 813 . 1 1 96 96 ILE H H 1 7.825 0.020 . 1 . . . . 96 ILE H . 26637 1 814 . 1 1 96 96 ILE HA H 1 4.011 0.020 . 1 . . . . 96 ILE HA . 26637 1 815 . 1 1 96 96 ILE HB H 1 1.992 0.020 . 1 . . . . 96 ILE HB . 26637 1 816 . 1 1 96 96 ILE HG12 H 1 1.663 0.020 . 2 . . . . 96 ILE HG12 . 26637 1 817 . 1 1 96 96 ILE HG13 H 1 1.244 0.020 . 2 . . . . 96 ILE HG13 . 26637 1 818 . 1 1 96 96 ILE C C 13 177.183 0.300 . 1 . . . . 96 ILE C . 26637 1 819 . 1 1 96 96 ILE CA C 13 63.112 0.300 . 1 . . . . 96 ILE CA . 26637 1 820 . 1 1 96 96 ILE CB C 13 38.406 0.300 . 1 . . . . 96 ILE CB . 26637 1 821 . 1 1 96 96 ILE CG1 C 13 28.354 0.300 . 1 . . . . 96 ILE CG1 . 26637 1 822 . 1 1 96 96 ILE CG2 C 13 17.836 0.300 . 1 . . . . 96 ILE CG2 . 26637 1 823 . 1 1 96 96 ILE CD1 C 13 13.513 0.300 . 1 . . . . 96 ILE CD1 . 26637 1 824 . 1 1 96 96 ILE N N 15 116.496 0.300 . 1 . . . . 96 ILE N . 26637 1 825 . 1 1 97 97 GLY H H 1 8.192 0.020 . 1 . . . . 97 GLY H . 26637 1 826 . 1 1 97 97 GLY C C 13 175.055 0.300 . 1 . . . . 97 GLY C . 26637 1 827 . 1 1 97 97 GLY CA C 13 46.462 0.300 . 1 . . . . 97 GLY CA . 26637 1 828 . 1 1 97 97 GLY N N 15 108.407 0.300 . 1 . . . . 97 GLY N . 26637 1 829 . 1 1 98 98 CYS H H 1 7.923 0.020 . 1 . . . . 98 CYS H . 26637 1 830 . 1 1 98 98 CYS HA H 1 4.404 0.020 . 1 . . . . 98 CYS HA . 26637 1 831 . 1 1 98 98 CYS HB2 H 1 2.827 0.020 . 2 . . . . 98 CYS HB2 . 26637 1 832 . 1 1 98 98 CYS HB3 H 1 2.891 0.020 . 2 . . . . 98 CYS HB3 . 26637 1 833 . 1 1 98 98 CYS C C 13 175.311 0.300 . 1 . . . . 98 CYS C . 26637 1 834 . 1 1 98 98 CYS CA C 13 60.002 0.300 . 1 . . . . 98 CYS CA . 26637 1 835 . 1 1 98 98 CYS CB C 13 27.503 0.300 . 1 . . . . 98 CYS CB . 26637 1 836 . 1 1 98 98 CYS N N 15 117.738 0.300 . 1 . . . . 98 CYS N . 26637 1 837 . 1 1 99 99 TYR H H 1 7.997 0.020 . 1 . . . . 99 TYR H . 26637 1 838 . 1 1 99 99 TYR HA H 1 4.483 0.020 . 1 . . . . 99 TYR HA . 26637 1 839 . 1 1 99 99 TYR HB2 H 1 2.989 0.020 . 2 . . . . 99 TYR HB2 . 26637 1 840 . 1 1 99 99 TYR HB3 H 1 3.183 0.020 . 2 . . . . 99 TYR HB3 . 26637 1 841 . 1 1 99 99 TYR C C 13 175.936 0.300 . 1 . . . . 99 TYR C . 26637 1 842 . 1 1 99 99 TYR CA C 13 59.192 0.300 . 1 . . . . 99 TYR CA . 26637 1 843 . 1 1 99 99 TYR CB C 13 38.519 0.300 . 1 . . . . 99 TYR CB . 26637 1 844 . 1 1 99 99 TYR N N 15 120.497 0.300 . 1 . . . . 99 TYR N . 26637 1 845 . 1 1 100 100 SER H H 1 7.905 0.020 . 1 . . . . 100 SER H . 26637 1 846 . 1 1 100 100 SER HA H 1 4.302 0.020 . 1 . . . . 100 SER HA . 26637 1 847 . 1 1 100 100 SER HB2 H 1 3.948 0.020 . 2 . . . . 100 SER HB2 . 26637 1 848 . 1 1 100 100 SER HB3 H 1 3.838 0.020 . 2 . . . . 100 SER HB3 . 26637 1 849 . 1 1 100 100 SER C C 13 174.545 0.300 . 1 . . . . 100 SER C . 26637 1 850 . 1 1 100 100 SER CA C 13 59.648 0.300 . 1 . . . . 100 SER CA . 26637 1 851 . 1 1 100 100 SER CB C 13 63.810 0.300 . 1 . . . . 100 SER CB . 26637 1 852 . 1 1 100 100 SER N N 15 113.946 0.300 . 1 . . . . 100 SER N . 26637 1 853 . 1 1 101 101 GLN H H 1 8.016 0.020 . 1 . . . . 101 GLN H . 26637 1 854 . 1 1 101 101 GLN HA H 1 4.356 0.020 . 1 . . . . 101 GLN HA . 26637 1 855 . 1 1 101 101 GLN HB2 H 1 2.231 0.020 . 2 . . . . 101 GLN HB2 . 26637 1 856 . 1 1 101 101 GLN HB3 H 1 2.019 0.020 . 2 . . . . 101 GLN HB3 . 26637 1 857 . 1 1 101 101 GLN C C 13 175.690 0.300 . 1 . . . . 101 GLN C . 26637 1 858 . 1 1 101 101 GLN CA C 13 56.100 0.300 . 1 . . . . 101 GLN CA . 26637 1 859 . 1 1 101 101 GLN CB C 13 29.140 0.300 . 1 . . . . 101 GLN CB . 26637 1 860 . 1 1 101 101 GLN CG C 13 34.023 0.300 . 1 . . . . 101 GLN CG . 26637 1 861 . 1 1 101 101 GLN N N 15 119.089 0.300 . 1 . . . . 101 GLN N . 26637 1 862 . 1 1 102 102 VAL H H 1 7.734 0.020 . 1 . . . . 102 VAL H . 26637 1 863 . 1 1 102 102 VAL HA H 1 4.061 0.020 . 1 . . . . 102 VAL HA . 26637 1 864 . 1 1 102 102 VAL HB H 1 2.109 0.020 . 1 . . . . 102 VAL HB . 26637 1 865 . 1 1 102 102 VAL C C 13 174.201 0.300 . 1 . . . . 102 VAL C . 26637 1 866 . 1 1 102 102 VAL CA C 13 62.065 0.300 . 1 . . . . 102 VAL CA . 26637 1 867 . 1 1 102 102 VAL CB C 13 32.613 0.300 . 1 . . . . 102 VAL CB . 26637 1 868 . 1 1 102 102 VAL CG1 C 13 21.446 0.300 . 2 . . . . 102 VAL CG1 . 26637 1 869 . 1 1 102 102 VAL CG2 C 13 21.275 0.300 . 2 . . . . 102 VAL CG2 . 26637 1 870 . 1 1 102 102 VAL N N 15 118.924 0.300 . 1 . . . . 102 VAL N . 26637 1 871 . 1 1 103 103 ASN H H 1 8.249 0.020 . 1 . . . . 103 ASN H . 26637 1 872 . 1 1 103 103 ASN HA H 1 5.002 0.020 . 1 . . . . 103 ASN HA . 26637 1 873 . 1 1 103 103 ASN HB2 H 1 2.875 0.020 . 2 . . . . 103 ASN HB2 . 26637 1 874 . 1 1 103 103 ASN HB3 H 1 3.049 0.020 . 2 . . . . 103 ASN HB3 . 26637 1 875 . 1 1 103 103 ASN C C 13 174.171 0.300 . 1 . . . . 103 ASN C . 26637 1 876 . 1 1 103 103 ASN CA C 13 51.062 0.300 . 1 . . . . 103 ASN CA . 26637 1 877 . 1 1 103 103 ASN CB C 13 39.207 0.300 . 1 . . . . 103 ASN CB . 26637 1 878 . 1 1 103 103 ASN N N 15 123.120 0.300 . 1 . . . . 103 ASN N . 26637 1 879 . 1 1 104 104 PRO HA H 1 4.262 0.020 . 1 . . . . 104 PRO HA . 26637 1 880 . 1 1 104 104 PRO HB2 H 1 2.277 0.020 . 2 . . . . 104 PRO HB2 . 26637 1 881 . 1 1 104 104 PRO HB3 H 1 1.983 0.020 . 2 . . . . 104 PRO HB3 . 26637 1 882 . 1 1 104 104 PRO HG2 H 1 2.002 0.020 . 2 . . . . 104 PRO HG2 . 26637 1 883 . 1 1 104 104 PRO HG3 H 1 2.164 0.020 . 2 . . . . 104 PRO HG3 . 26637 1 884 . 1 1 104 104 PRO HD2 H 1 4.004 0.020 . 2 . . . . 104 PRO HD2 . 26637 1 885 . 1 1 104 104 PRO HD3 H 1 3.925 0.020 . 2 . . . . 104 PRO HD3 . 26637 1 886 . 1 1 104 104 PRO C C 13 177.833 0.300 . 1 . . . . 104 PRO C . 26637 1 887 . 1 1 104 104 PRO CA C 13 65.262 0.300 . 1 . . . . 104 PRO CA . 26637 1 888 . 1 1 104 104 PRO CB C 13 32.328 0.300 . 1 . . . . 104 PRO CB . 26637 1 889 . 1 1 104 104 PRO CG C 13 27.702 0.300 . 1 . . . . 104 PRO CG . 26637 1 890 . 1 1 104 104 PRO CD C 13 50.913 0.300 . 1 . . . . 104 PRO CD . 26637 1 891 . 1 1 105 105 ILE H H 1 8.162 0.020 . 1 . . . . 105 ILE H . 26637 1 892 . 1 1 105 105 ILE HA H 1 3.925 0.020 . 1 . . . . 105 ILE HA . 26637 1 893 . 1 1 105 105 ILE HB H 1 2.082 0.020 . 1 . . . . 105 ILE HB . 26637 1 894 . 1 1 105 105 ILE HG12 H 1 1.621 0.020 . 2 . . . . 105 ILE HG12 . 26637 1 895 . 1 1 105 105 ILE HG13 H 1 1.285 0.020 . 2 . . . . 105 ILE HG13 . 26637 1 896 . 1 1 105 105 ILE C C 13 177.356 0.300 . 1 . . . . 105 ILE C . 26637 1 897 . 1 1 105 105 ILE CA C 13 63.781 0.300 . 1 . . . . 105 ILE CA . 26637 1 898 . 1 1 105 105 ILE CB C 13 37.366 0.300 . 1 . . . . 105 ILE CB . 26637 1 899 . 1 1 105 105 ILE CG1 C 13 28.790 0.300 . 1 . . . . 105 ILE CG1 . 26637 1 900 . 1 1 105 105 ILE CG2 C 13 17.445 0.300 . 1 . . . . 105 ILE CG2 . 26637 1 901 . 1 1 105 105 ILE CD1 C 13 12.554 0.300 . 1 . . . . 105 ILE CD1 . 26637 1 902 . 1 1 105 105 ILE N N 15 119.055 0.300 . 1 . . . . 105 ILE N . 26637 1 903 . 1 1 106 106 THR H H 1 7.682 0.020 . 1 . . . . 106 THR H . 26637 1 904 . 1 1 106 106 THR HA H 1 4.086 0.020 . 1 . . . . 106 THR HA . 26637 1 905 . 1 1 106 106 THR HB H 1 4.318 0.020 . 1 . . . . 106 THR HB . 26637 1 906 . 1 1 106 106 THR C C 13 176.786 0.300 . 1 . . . . 106 THR C . 26637 1 907 . 1 1 106 106 THR CA C 13 64.763 0.300 . 1 . . . . 106 THR CA . 26637 1 908 . 1 1 106 106 THR CB C 13 68.771 0.300 . 1 . . . . 106 THR CB . 26637 1 909 . 1 1 106 106 THR CG2 C 13 22.429 0.300 . 1 . . . . 106 THR CG2 . 26637 1 910 . 1 1 106 106 THR N N 15 115.437 0.300 . 1 . . . . 106 THR N . 26637 1 911 . 1 1 107 107 LEU H H 1 8.137 0.020 . 1 . . . . 107 LEU H . 26637 1 912 . 1 1 107 107 LEU HA H 1 4.153 0.020 . 1 . . . . 107 LEU HA . 26637 1 913 . 1 1 107 107 LEU HB2 H 1 1.749 0.020 . 2 . . . . 107 LEU HB2 . 26637 1 914 . 1 1 107 107 LEU HB3 H 1 1.644 0.020 . 2 . . . . 107 LEU HB3 . 26637 1 915 . 1 1 107 107 LEU HG H 1 1.729 0.020 . 1 . . . . 107 LEU HG . 26637 1 916 . 1 1 107 107 LEU C C 13 178.048 0.300 . 1 . . . . 107 LEU C . 26637 1 917 . 1 1 107 107 LEU CA C 13 58.145 0.300 . 1 . . . . 107 LEU CA . 26637 1 918 . 1 1 107 107 LEU CB C 13 42.133 0.300 . 1 . . . . 107 LEU CB . 26637 1 919 . 1 1 107 107 LEU CG C 13 27.266 0.300 . 1 . . . . 107 LEU CG . 26637 1 920 . 1 1 107 107 LEU N N 15 121.445 0.300 . 1 . . . . 107 LEU N . 26637 1 921 . 1 1 108 108 THR H H 1 7.890 0.020 . 1 . . . . 108 THR H . 26637 1 922 . 1 1 108 108 THR HA H 1 3.765 0.020 . 1 . . . . 108 THR HA . 26637 1 923 . 1 1 108 108 THR HB H 1 4.234 0.020 . 1 . . . . 108 THR HB . 26637 1 924 . 1 1 108 108 THR C C 13 175.851 0.300 . 1 . . . . 108 THR C . 26637 1 925 . 1 1 108 108 THR CA C 13 67.498 0.300 . 1 . . . . 108 THR CA . 26637 1 926 . 1 1 108 108 THR CB C 13 68.410 0.300 . 1 . . . . 108 THR CB . 26637 1 927 . 1 1 108 108 THR CG2 C 13 21.974 0.300 . 1 . . . . 108 THR CG2 . 26637 1 928 . 1 1 108 108 THR N N 15 113.643 0.300 . 1 . . . . 108 THR N . 26637 1 929 . 1 1 109 109 ALA H H 1 8.000 0.020 . 1 . . . . 109 ALA H . 26637 1 930 . 1 1 109 109 ALA HA H 1 4.060 0.020 . 1 . . . . 109 ALA HA . 26637 1 931 . 1 1 109 109 ALA C C 13 179.774 0.300 . 1 . . . . 109 ALA C . 26637 1 932 . 1 1 109 109 ALA CA C 13 55.521 0.300 . 1 . . . . 109 ALA CA . 26637 1 933 . 1 1 109 109 ALA CB C 13 18.175 0.300 . 1 . . . . 109 ALA CB . 26637 1 934 . 1 1 109 109 ALA N N 15 122.499 0.300 . 1 . . . . 109 ALA N . 26637 1 935 . 1 1 110 110 ALA H H 1 7.955 0.020 . 1 . . . . 110 ALA H . 26637 1 936 . 1 1 110 110 ALA HA H 1 4.113 0.020 . 1 . . . . 110 ALA HA . 26637 1 937 . 1 1 110 110 ALA C C 13 179.754 0.300 . 1 . . . . 110 ALA C . 26637 1 938 . 1 1 110 110 ALA CA C 13 55.267 0.300 . 1 . . . . 110 ALA CA . 26637 1 939 . 1 1 110 110 ALA CB C 13 18.189 0.300 . 1 . . . . 110 ALA CB . 26637 1 940 . 1 1 110 110 ALA N N 15 119.408 0.300 . 1 . . . . 110 ALA N . 26637 1 941 . 1 1 111 111 LEU H H 1 8.154 0.020 . 1 . . . . 111 LEU H . 26637 1 942 . 1 1 111 111 LEU HA H 1 4.091 0.020 . 1 . . . . 111 LEU HA . 26637 1 943 . 1 1 111 111 LEU C C 13 178.704 0.300 . 1 . . . . 111 LEU C . 26637 1 944 . 1 1 111 111 LEU CA C 13 58.113 0.300 . 1 . . . . 111 LEU CA . 26637 1 945 . 1 1 111 111 LEU CB C 13 41.742 0.300 . 1 . . . . 111 LEU CB . 26637 1 946 . 1 1 111 111 LEU CD1 C 13 26.927 0.300 . 2 . . . . 111 LEU CD1 . 26637 1 947 . 1 1 111 111 LEU CD2 C 13 24.358 0.300 . 2 . . . . 111 LEU CD2 . 26637 1 948 . 1 1 111 111 LEU N N 15 118.112 0.300 . 1 . . . . 111 LEU N . 26637 1 949 . 1 1 112 112 LEU H H 1 8.290 0.020 . 1 . . . . 112 LEU H . 26637 1 950 . 1 1 112 112 LEU HA H 1 4.037 0.020 . 1 . . . . 112 LEU HA . 26637 1 951 . 1 1 112 112 LEU HB2 H 1 1.937 0.020 . 2 . . . . 112 LEU HB2 . 26637 1 952 . 1 1 112 112 LEU HB3 H 1 1.547 0.020 . 2 . . . . 112 LEU HB3 . 26637 1 953 . 1 1 112 112 LEU HG H 1 1.903 0.020 . 1 . . . . 112 LEU HG . 26637 1 954 . 1 1 112 112 LEU C C 13 179.565 0.300 . 1 . . . . 112 LEU C . 26637 1 955 . 1 1 112 112 LEU CA C 13 58.187 0.300 . 1 . . . . 112 LEU CA . 26637 1 956 . 1 1 112 112 LEU CB C 13 41.331 0.300 . 1 . . . . 112 LEU CB . 26637 1 957 . 1 1 112 112 LEU CG C 13 27.096 0.300 . 1 . . . . 112 LEU CG . 26637 1 958 . 1 1 112 112 LEU CD1 C 13 25.416 0.300 . 2 . . . . 112 LEU CD1 . 26637 1 959 . 1 1 112 112 LEU CD2 C 13 23.048 0.300 . 2 . . . . 112 LEU CD2 . 26637 1 960 . 1 1 112 112 LEU N N 15 118.171 0.300 . 1 . . . . 112 LEU N . 26637 1 961 . 1 1 113 113 LEU H H 1 7.919 0.020 . 1 . . . . 113 LEU H . 26637 1 962 . 1 1 113 113 LEU HA H 1 4.095 0.020 . 1 . . . . 113 LEU HA . 26637 1 963 . 1 1 113 113 LEU C C 13 179.566 0.300 . 1 . . . . 113 LEU C . 26637 1 964 . 1 1 113 113 LEU CA C 13 58.096 0.300 . 1 . . . . 113 LEU CA . 26637 1 965 . 1 1 113 113 LEU CB C 13 42.017 0.300 . 1 . . . . 113 LEU CB . 26637 1 966 . 1 1 113 113 LEU N N 15 119.722 0.300 . 1 . . . . 113 LEU N . 26637 1 967 . 1 1 114 114 LEU H H 1 7.946 0.020 . 1 . . . . 114 LEU H . 26637 1 968 . 1 1 114 114 LEU HA H 1 4.141 0.020 . 1 . . . . 114 LEU HA . 26637 1 969 . 1 1 114 114 LEU C C 13 179.141 0.300 . 1 . . . . 114 LEU C . 26637 1 970 . 1 1 114 114 LEU CA C 13 58.636 0.300 . 1 . . . . 114 LEU CA . 26637 1 971 . 1 1 114 114 LEU CB C 13 42.298 0.300 . 1 . . . . 114 LEU CB . 26637 1 972 . 1 1 114 114 LEU CD1 C 13 24.965 0.300 . 2 . . . . 114 LEU CD1 . 26637 1 973 . 1 1 114 114 LEU CD2 C 13 26.987 0.300 . 2 . . . . 114 LEU CD2 . 26637 1 974 . 1 1 114 114 LEU N N 15 120.722 0.300 . 1 . . . . 114 LEU N . 26637 1 975 . 1 1 115 115 VAL H H 1 8.320 0.020 . 1 . . . . 115 VAL H . 26637 1 976 . 1 1 115 115 VAL HA H 1 3.720 0.020 . 1 . . . . 115 VAL HA . 26637 1 977 . 1 1 115 115 VAL HB H 1 2.291 0.020 . 1 . . . . 115 VAL HB . 26637 1 978 . 1 1 115 115 VAL C C 13 177.738 0.300 . 1 . . . . 115 VAL C . 26637 1 979 . 1 1 115 115 VAL CA C 13 66.742 0.300 . 1 . . . . 115 VAL CA . 26637 1 980 . 1 1 115 115 VAL CB C 13 31.587 0.300 . 1 . . . . 115 VAL CB . 26637 1 981 . 1 1 115 115 VAL CG1 C 13 22.895 0.300 . 2 . . . . 115 VAL CG1 . 26637 1 982 . 1 1 115 115 VAL CG2 C 13 21.827 0.300 . 2 . . . . 115 VAL CG2 . 26637 1 983 . 1 1 115 115 VAL N N 15 117.273 0.300 . 1 . . . . 115 VAL N . 26637 1 984 . 1 1 116 116 ALA H H 1 8.117 0.020 . 1 . . . . 116 ALA H . 26637 1 985 . 1 1 116 116 ALA HA H 1 4.160 0.020 . 1 . . . . 116 ALA HA . 26637 1 986 . 1 1 116 116 ALA C C 13 179.306 0.300 . 1 . . . . 116 ALA C . 26637 1 987 . 1 1 116 116 ALA CA C 13 54.786 0.300 . 1 . . . . 116 ALA CA . 26637 1 988 . 1 1 116 116 ALA CB C 13 18.325 0.300 . 1 . . . . 116 ALA CB . 26637 1 989 . 1 1 116 116 ALA N N 15 120.388 0.300 . 1 . . . . 116 ALA N . 26637 1 990 . 1 1 117 117 HIS H H 1 8.033 0.020 . 1 . . . . 117 HIS H . 26637 1 991 . 1 1 117 117 HIS HA H 1 4.439 0.020 . 1 . . . . 117 HIS HA . 26637 1 992 . 1 1 117 117 HIS HB2 H 1 3.218 0.020 . 2 . . . . 117 HIS HB2 . 26637 1 993 . 1 1 117 117 HIS HB3 H 1 3.323 0.020 . 2 . . . . 117 HIS HB3 . 26637 1 994 . 1 1 117 117 HIS C C 13 175.823 0.300 . 1 . . . . 117 HIS C . 26637 1 995 . 1 1 117 117 HIS CA C 13 57.845 0.300 . 1 . . . . 117 HIS CA . 26637 1 996 . 1 1 117 117 HIS CB C 13 28.693 0.300 . 1 . . . . 117 HIS CB . 26637 1 997 . 1 1 117 117 HIS N N 15 114.127 0.300 . 1 . . . . 117 HIS N . 26637 1 998 . 1 1 118 118 TYR H H 1 8.027 0.020 . 1 . . . . 118 TYR H . 26637 1 999 . 1 1 118 118 TYR HA H 1 4.318 0.020 . 1 . . . . 118 TYR HA . 26637 1 1000 . 1 1 118 118 TYR HB2 H 1 2.995 0.020 . 2 . . . . 118 TYR HB2 . 26637 1 1001 . 1 1 118 118 TYR HB3 H 1 3.197 0.020 . 2 . . . . 118 TYR HB3 . 26637 1 1002 . 1 1 118 118 TYR C C 13 175.988 0.300 . 1 . . . . 118 TYR C . 26637 1 1003 . 1 1 118 118 TYR CA C 13 60.748 0.300 . 1 . . . . 118 TYR CA . 26637 1 1004 . 1 1 118 118 TYR CB C 13 38.834 0.300 . 1 . . . . 118 TYR CB . 26637 1 1005 . 1 1 118 118 TYR N N 15 118.056 0.300 . 1 . . . . 118 TYR N . 26637 1 1006 . 1 1 119 119 ALA H H 1 8.157 0.020 . 1 . . . . 119 ALA H . 26637 1 1007 . 1 1 119 119 ALA HA H 1 4.143 0.020 . 1 . . . . 119 ALA HA . 26637 1 1008 . 1 1 119 119 ALA C C 13 177.750 0.300 . 1 . . . . 119 ALA C . 26637 1 1009 . 1 1 119 119 ALA CA C 13 53.893 0.300 . 1 . . . . 119 ALA CA . 26637 1 1010 . 1 1 119 119 ALA CB C 13 18.684 0.300 . 1 . . . . 119 ALA CB . 26637 1 1011 . 1 1 119 119 ALA N N 15 120.681 0.300 . 1 . . . . 119 ALA N . 26637 1 1012 . 1 1 120 120 ILE H H 1 7.589 0.020 . 1 . . . . 120 ILE H . 26637 1 1013 . 1 1 120 120 ILE HA H 1 4.107 0.020 . 1 . . . . 120 ILE HA . 26637 1 1014 . 1 1 120 120 ILE HB H 1 2.001 0.020 . 1 . . . . 120 ILE HB . 26637 1 1015 . 1 1 120 120 ILE HG12 H 1 1.518 0.020 . 2 . . . . 120 ILE HG12 . 26637 1 1016 . 1 1 120 120 ILE HG13 H 1 1.282 0.020 . 2 . . . . 120 ILE HG13 . 26637 1 1017 . 1 1 120 120 ILE C C 13 176.395 0.300 . 1 . . . . 120 ILE C . 26637 1 1018 . 1 1 120 120 ILE CA C 13 62.379 0.300 . 1 . . . . 120 ILE CA . 26637 1 1019 . 1 1 120 120 ILE CB C 13 38.608 0.300 . 1 . . . . 120 ILE CB . 26637 1 1020 . 1 1 120 120 ILE CG2 C 13 17.814 0.300 . 1 . . . . 120 ILE CG2 . 26637 1 1021 . 1 1 120 120 ILE CD1 C 13 13.434 0.300 . 1 . . . . 120 ILE CD1 . 26637 1 1022 . 1 1 120 120 ILE N N 15 114.503 0.300 . 1 . . . . 120 ILE N . 26637 1 1023 . 1 1 121 121 ILE H H 1 7.687 0.020 . 1 . . . . 121 ILE H . 26637 1 1024 . 1 1 121 121 ILE HA H 1 4.131 0.020 . 1 . . . . 121 ILE HA . 26637 1 1025 . 1 1 121 121 ILE HB H 1 1.911 0.020 . 1 . . . . 121 ILE HB . 26637 1 1026 . 1 1 121 121 ILE HG12 H 1 1.515 0.020 . 2 . . . . 121 ILE HG12 . 26637 1 1027 . 1 1 121 121 ILE HG13 H 1 1.213 0.020 . 2 . . . . 121 ILE HG13 . 26637 1 1028 . 1 1 121 121 ILE C C 13 176.369 0.300 . 1 . . . . 121 ILE C . 26637 1 1029 . 1 1 121 121 ILE CA C 13 62.162 0.300 . 1 . . . . 121 ILE CA . 26637 1 1030 . 1 1 121 121 ILE CB C 13 38.686 0.300 . 1 . . . . 121 ILE CB . 26637 1 1031 . 1 1 121 121 ILE CG2 C 13 13.340 0.300 . 1 . . . . 121 ILE CG2 . 26637 1 1032 . 1 1 121 121 ILE CD1 C 13 17.746 0.300 . 1 . . . . 121 ILE CD1 . 26637 1 1033 . 1 1 121 121 ILE N N 15 118.088 0.300 . 1 . . . . 121 ILE N . 26637 1 1034 . 1 1 122 122 GLY H H 1 8.088 0.020 . 1 . . . . 122 GLY H . 26637 1 1035 . 1 1 122 122 GLY C C 13 172.849 0.300 . 1 . . . . 122 GLY C . 26637 1 1036 . 1 1 122 122 GLY CA C 13 46.426 0.300 . 1 . . . . 122 GLY CA . 26637 1 1037 . 1 1 122 122 GLY N N 15 109.189 0.300 . 1 . . . . 122 GLY N . 26637 1 1038 . 1 1 123 123 PRO HA H 1 4.377 0.020 . 1 . . . . 123 PRO HA . 26637 1 1039 . 1 1 123 123 PRO HB2 H 1 2.295 0.020 . 2 . . . . 123 PRO HB2 . 26637 1 1040 . 1 1 123 123 PRO HB3 H 1 1.917 0.020 . 2 . . . . 123 PRO HB3 . 26637 1 1041 . 1 1 123 123 PRO HG2 H 1 1.968 0.020 . 2 . . . . 123 PRO HG2 . 26637 1 1042 . 1 1 123 123 PRO HG3 H 1 2.074 0.020 . 2 . . . . 123 PRO HG3 . 26637 1 1043 . 1 1 123 123 PRO C C 13 178.012 0.300 . 1 . . . . 123 PRO C . 26637 1 1044 . 1 1 123 123 PRO CA C 13 64.378 0.300 . 1 . . . . 123 PRO CA . 26637 1 1045 . 1 1 123 123 PRO CB C 13 31.907 0.300 . 1 . . . . 123 PRO CB . 26637 1 1046 . 1 1 123 123 PRO CG C 13 27.567 0.300 . 1 . . . . 123 PRO CG . 26637 1 1047 . 1 1 123 123 PRO CD C 13 50.557 0.300 . 1 . . . . 123 PRO CD . 26637 1 1048 . 1 1 124 124 GLY H H 1 8.211 0.020 . 1 . . . . 124 GLY H . 26637 1 1049 . 1 1 124 124 GLY HA2 H 1 3.915 0.020 . 2 . . . . 124 GLY HA . 26637 1 1050 . 1 1 124 124 GLY HA3 H 1 3.915 0.020 . 2 . . . . 124 GLY HA . 26637 1 1051 . 1 1 124 124 GLY C C 13 174.898 0.300 . 1 . . . . 124 GLY C . 26637 1 1052 . 1 1 124 124 GLY CA C 13 46.333 0.300 . 1 . . . . 124 GLY CA . 26637 1 1053 . 1 1 124 124 GLY N N 15 106.897 0.300 . 1 . . . . 124 GLY N . 26637 1 1054 . 1 1 125 125 LEU H H 1 8.040 0.020 . 1 . . . . 125 LEU H . 26637 1 1055 . 1 1 125 125 LEU HA H 1 4.244 0.020 . 1 . . . . 125 LEU HA . 26637 1 1056 . 1 1 125 125 LEU HB2 H 1 1.764 0.020 . 2 . . . . 125 LEU HB2 . 26637 1 1057 . 1 1 125 125 LEU HB3 H 1 1.596 0.020 . 2 . . . . 125 LEU HB3 . 26637 1 1058 . 1 1 125 125 LEU C C 13 177.874 0.300 . 1 . . . . 125 LEU C . 26637 1 1059 . 1 1 125 125 LEU CA C 13 56.254 0.300 . 1 . . . . 125 LEU CA . 26637 1 1060 . 1 1 125 125 LEU CB C 13 42.183 0.300 . 1 . . . . 125 LEU CB . 26637 1 1061 . 1 1 125 125 LEU CD1 C 13 25.314 0.300 . 2 . . . . 125 LEU CD1 . 26637 1 1062 . 1 1 125 125 LEU CD2 C 13 23.603 0.300 . 2 . . . . 125 LEU CD2 . 26637 1 1063 . 1 1 125 125 LEU N N 15 120.811 0.300 . 1 . . . . 125 LEU N . 26637 1 1064 . 1 1 126 126 GLU H H 1 8.194 0.020 . 1 . . . . 126 GLU H . 26637 1 1065 . 1 1 126 126 GLU HA H 1 4.143 0.020 . 1 . . . . 126 GLU HA . 26637 1 1066 . 1 1 126 126 GLU C C 13 176.930 0.300 . 1 . . . . 126 GLU C . 26637 1 1067 . 1 1 126 126 GLU CA C 13 57.626 0.300 . 1 . . . . 126 GLU CA . 26637 1 1068 . 1 1 126 126 GLU CB C 13 29.571 0.300 . 1 . . . . 126 GLU CB . 26637 1 1069 . 1 1 126 126 GLU N N 15 119.138 0.300 . 1 . . . . 126 GLU N . 26637 1 stop_ save_