data_26718 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26718 _Entry.Title ; Domain Swapped HIV RNase H ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-11 _Entry.Accession_date 2015-12-11 _Entry.Last_release_date 2016-02-12 _Entry.Original_release_date 2016-02-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _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 Geoffrey Mueller . . . . 26718 2 Robert London . . . . 26718 3 Xunhai Zheng . . . . 26718 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26718 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 26718 '15N chemical shifts' 122 26718 '1H chemical shifts' 122 26718 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-03-09 2015-12-11 update BMRB 'update entry citation' 26718 1 . . 2016-02-12 2015-12-11 original author 'original release' 26718 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26718 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26773054 _Citation.Full_citation . _Citation.Title ; Unfolding the HIV-1 reverse transcriptase RNase H domain - how to lose a molecular tug-of-war ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 4 _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 1776 _Citation.Page_last 1788 _Citation.Year 2016 _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 Xunhai Zheng . . . . 26718 1 2 Lars Pedersen . . . . 26718 1 3 Scott Gabel . . . . 26718 1 4 Geoffrey Mueller . . . . 26718 1 5 Eugene DeRose . . . . 26718 1 6 Robert London . . . . 26718 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26718 _Assembly.ID 1 _Assembly.Name 'Domain Swapped HIV RNase H' _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 'Domain Swapped HIV RNase H' 1 $RNase_H A . yes native no no . . . 26718 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5DZM . . . . . . 26718 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_H _Entity.Sf_category entity _Entity.Sf_framecode RNase_H _Entity.Entry_ID 26718 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNase_H _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 ; MNELYQLEKEPIVGAETFYV DGAANRETKLGKAGYVTNRG RQKVVTLTDTTNQKTELQAI YLALQDSGLEVNIVTDSQYA LGIIQAQPDQSESELVNQII EQLIKKEKVYLAWVPAHKGI GGNEQVDKLVSAGIRKVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Add 422 for correct numbering to HIV-1 Reverse Transcriptase' _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 MET . 26718 1 2 2 ASN . 26718 1 3 3 GLU . 26718 1 4 4 LEU . 26718 1 5 5 TYR . 26718 1 6 6 GLN . 26718 1 7 7 LEU . 26718 1 8 8 GLU . 26718 1 9 9 LYS . 26718 1 10 10 GLU . 26718 1 11 11 PRO . 26718 1 12 12 ILE . 26718 1 13 13 VAL . 26718 1 14 14 GLY . 26718 1 15 15 ALA . 26718 1 16 16 GLU . 26718 1 17 17 THR . 26718 1 18 18 PHE . 26718 1 19 19 TYR . 26718 1 20 20 VAL . 26718 1 21 21 ASP . 26718 1 22 22 GLY . 26718 1 23 23 ALA . 26718 1 24 24 ALA . 26718 1 25 25 ASN . 26718 1 26 26 ARG . 26718 1 27 27 GLU . 26718 1 28 28 THR . 26718 1 29 29 LYS . 26718 1 30 30 LEU . 26718 1 31 31 GLY . 26718 1 32 32 LYS . 26718 1 33 33 ALA . 26718 1 34 34 GLY . 26718 1 35 35 TYR . 26718 1 36 36 VAL . 26718 1 37 37 THR . 26718 1 38 38 ASN . 26718 1 39 39 ARG . 26718 1 40 40 GLY . 26718 1 41 41 ARG . 26718 1 42 42 GLN . 26718 1 43 43 LYS . 26718 1 44 44 VAL . 26718 1 45 45 VAL . 26718 1 46 46 THR . 26718 1 47 47 LEU . 26718 1 48 48 THR . 26718 1 49 49 ASP . 26718 1 50 50 THR . 26718 1 51 51 THR . 26718 1 52 52 ASN . 26718 1 53 53 GLN . 26718 1 54 54 LYS . 26718 1 55 55 THR . 26718 1 56 56 GLU . 26718 1 57 57 LEU . 26718 1 58 58 GLN . 26718 1 59 59 ALA . 26718 1 60 60 ILE . 26718 1 61 61 TYR . 26718 1 62 62 LEU . 26718 1 63 63 ALA . 26718 1 64 64 LEU . 26718 1 65 65 GLN . 26718 1 66 66 ASP . 26718 1 67 67 SER . 26718 1 68 68 GLY . 26718 1 69 69 LEU . 26718 1 70 70 GLU . 26718 1 71 71 VAL . 26718 1 72 72 ASN . 26718 1 73 73 ILE . 26718 1 74 74 VAL . 26718 1 75 75 THR . 26718 1 76 76 ASP . 26718 1 77 77 SER . 26718 1 78 78 GLN . 26718 1 79 79 TYR . 26718 1 80 80 ALA . 26718 1 81 81 LEU . 26718 1 82 82 GLY . 26718 1 83 83 ILE . 26718 1 84 84 ILE . 26718 1 85 85 GLN . 26718 1 86 86 ALA . 26718 1 87 87 GLN . 26718 1 88 88 PRO . 26718 1 89 89 ASP . 26718 1 90 90 GLN . 26718 1 91 91 SER . 26718 1 92 92 GLU . 26718 1 93 93 SER . 26718 1 94 94 GLU . 26718 1 95 95 LEU . 26718 1 96 96 VAL . 26718 1 97 97 ASN . 26718 1 98 98 GLN . 26718 1 99 99 ILE . 26718 1 100 100 ILE . 26718 1 101 101 GLU . 26718 1 102 102 GLN . 26718 1 103 103 LEU . 26718 1 104 104 ILE . 26718 1 105 105 LYS . 26718 1 106 106 LYS . 26718 1 107 107 GLU . 26718 1 108 108 LYS . 26718 1 109 109 VAL . 26718 1 110 110 TYR . 26718 1 111 111 LEU . 26718 1 112 112 ALA . 26718 1 113 113 TRP . 26718 1 114 114 VAL . 26718 1 115 115 PRO . 26718 1 116 116 ALA . 26718 1 117 117 HIS . 26718 1 118 118 LYS . 26718 1 119 119 GLY . 26718 1 120 120 ILE . 26718 1 121 121 GLY . 26718 1 122 122 GLY . 26718 1 123 123 ASN . 26718 1 124 124 GLU . 26718 1 125 125 GLN . 26718 1 126 126 VAL . 26718 1 127 127 ASP . 26718 1 128 128 LYS . 26718 1 129 129 LEU . 26718 1 130 130 VAL . 26718 1 131 131 SER . 26718 1 132 132 ALA . 26718 1 133 133 GLY . 26718 1 134 134 ILE . 26718 1 135 135 ARG . 26718 1 136 136 LYS . 26718 1 137 137 VAL . 26718 1 138 138 LEU . 26718 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26718 1 . ASN 2 2 26718 1 . GLU 3 3 26718 1 . LEU 4 4 26718 1 . TYR 5 5 26718 1 . GLN 6 6 26718 1 . LEU 7 7 26718 1 . GLU 8 8 26718 1 . LYS 9 9 26718 1 . GLU 10 10 26718 1 . PRO 11 11 26718 1 . ILE 12 12 26718 1 . VAL 13 13 26718 1 . GLY 14 14 26718 1 . ALA 15 15 26718 1 . GLU 16 16 26718 1 . THR 17 17 26718 1 . PHE 18 18 26718 1 . TYR 19 19 26718 1 . VAL 20 20 26718 1 . ASP 21 21 26718 1 . GLY 22 22 26718 1 . ALA 23 23 26718 1 . ALA 24 24 26718 1 . ASN 25 25 26718 1 . ARG 26 26 26718 1 . GLU 27 27 26718 1 . THR 28 28 26718 1 . LYS 29 29 26718 1 . LEU 30 30 26718 1 . GLY 31 31 26718 1 . LYS 32 32 26718 1 . ALA 33 33 26718 1 . GLY 34 34 26718 1 . TYR 35 35 26718 1 . VAL 36 36 26718 1 . THR 37 37 26718 1 . ASN 38 38 26718 1 . ARG 39 39 26718 1 . GLY 40 40 26718 1 . ARG 41 41 26718 1 . GLN 42 42 26718 1 . LYS 43 43 26718 1 . VAL 44 44 26718 1 . VAL 45 45 26718 1 . THR 46 46 26718 1 . LEU 47 47 26718 1 . THR 48 48 26718 1 . ASP 49 49 26718 1 . THR 50 50 26718 1 . THR 51 51 26718 1 . ASN 52 52 26718 1 . GLN 53 53 26718 1 . LYS 54 54 26718 1 . THR 55 55 26718 1 . GLU 56 56 26718 1 . LEU 57 57 26718 1 . GLN 58 58 26718 1 . ALA 59 59 26718 1 . ILE 60 60 26718 1 . TYR 61 61 26718 1 . LEU 62 62 26718 1 . ALA 63 63 26718 1 . LEU 64 64 26718 1 . GLN 65 65 26718 1 . ASP 66 66 26718 1 . SER 67 67 26718 1 . GLY 68 68 26718 1 . LEU 69 69 26718 1 . GLU 70 70 26718 1 . VAL 71 71 26718 1 . ASN 72 72 26718 1 . ILE 73 73 26718 1 . VAL 74 74 26718 1 . THR 75 75 26718 1 . ASP 76 76 26718 1 . SER 77 77 26718 1 . GLN 78 78 26718 1 . TYR 79 79 26718 1 . ALA 80 80 26718 1 . LEU 81 81 26718 1 . GLY 82 82 26718 1 . ILE 83 83 26718 1 . ILE 84 84 26718 1 . GLN 85 85 26718 1 . ALA 86 86 26718 1 . GLN 87 87 26718 1 . PRO 88 88 26718 1 . ASP 89 89 26718 1 . GLN 90 90 26718 1 . SER 91 91 26718 1 . GLU 92 92 26718 1 . SER 93 93 26718 1 . GLU 94 94 26718 1 . LEU 95 95 26718 1 . VAL 96 96 26718 1 . ASN 97 97 26718 1 . GLN 98 98 26718 1 . ILE 99 99 26718 1 . ILE 100 100 26718 1 . GLU 101 101 26718 1 . GLN 102 102 26718 1 . LEU 103 103 26718 1 . ILE 104 104 26718 1 . LYS 105 105 26718 1 . LYS 106 106 26718 1 . GLU 107 107 26718 1 . LYS 108 108 26718 1 . VAL 109 109 26718 1 . TYR 110 110 26718 1 . LEU 111 111 26718 1 . ALA 112 112 26718 1 . TRP 113 113 26718 1 . VAL 114 114 26718 1 . PRO 115 115 26718 1 . ALA 116 116 26718 1 . HIS 117 117 26718 1 . LYS 118 118 26718 1 . GLY 119 119 26718 1 . ILE 120 120 26718 1 . GLY 121 121 26718 1 . GLY 122 122 26718 1 . ASN 123 123 26718 1 . GLU 124 124 26718 1 . GLN 125 125 26718 1 . VAL 126 126 26718 1 . ASP 127 127 26718 1 . LYS 128 128 26718 1 . LEU 129 129 26718 1 . VAL 130 130 26718 1 . SER 131 131 26718 1 . ALA 132 132 26718 1 . GLY 133 133 26718 1 . ILE 134 134 26718 1 . ARG 135 135 26718 1 . LYS 136 136 26718 1 . VAL 137 137 26718 1 . LEU 138 138 26718 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 26718 _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 $RNase_H . 11676 virus . 'Human immunodeficiency virus 1' HIV . . Viruses . Lentivirus 'Human immunodeficiency virus 1' . . . . . . . . . . . . . 26718 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 26718 _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 $RNase_H . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . RHmnel . . . 26718 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26718 _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 'RNase H' '[U-99% 13C; U-99% 15N]' . . 1 $RNase_H . . 444 . . uM . . . . 26718 1 2 TRIS [U-2H] . . . . . . 25 . . mM . . . . 26718 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26718 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26718 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26718 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 26718 _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' 0.002 . M 26718 1 pH 6.8 . pH 26718 1 pressure 1 . atm 26718 1 temperature 273 . K 26718 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26718 _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' . . 26718 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26718 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26718 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26718 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26718 2 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 26718 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26718 _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 Varian INOVA . 600 . . . 26718 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 26718 _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 . . . . . . . . . . . . . . . . 26718 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26718 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26718 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26718 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26718 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26718 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 26718 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 26718 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 26718 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 26718 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 26718 _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' . . . 26718 1 2 '3D HNCA' . . . 26718 1 3 '3D HNCACB' . . . 26718 1 4 '3D HN(CO)CA' . . . 26718 1 5 '3D HN(COCA)CB' . . . 26718 1 6 '3D HNCO' . . . 26718 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 2 2 ASN CA C 13 53.4199 0.0000 . 1 . 4593 . . 2 ASN CA . 26718 1 2 . 1 1 2 2 ASN CB C 13 37.9130 0.0000 . 1 . 5535 . . 2 ASN CB . 26718 1 3 . 1 1 3 3 GLU H H 1 8.4951 0.0000 . 1 . 5540 . . 3 GLU H . 26718 1 4 . 1 1 3 3 GLU CA C 13 56.7217 0.0000 . 1 . 5511 . . 3 GLU CA . 26718 1 5 . 1 1 3 3 GLU CB C 13 29.0060 0.0000 . 1 . 5550 . . 3 GLU CB . 26718 1 6 . 1 1 3 3 GLU N N 15 121.0261 0.0000 . 1 . 5542 . . 3 GLU N . 26718 1 7 . 1 1 4 4 LEU H H 1 8.3749 0.0000 . 1 . 6395 . . 4 LEU H . 26718 1 8 . 1 1 4 4 LEU CB C 13 41.7947 0.0000 . 1 . 5316 . . 4 LEU CB . 26718 1 9 . 1 1 4 4 LEU N N 15 122.2388 0.0000 . 1 . 6397 . . 4 LEU N . 26718 1 10 . 1 1 5 5 TYR H H 1 7.2673 0.0000 . 1 . 7181 . . 5 TYR H . 26718 1 11 . 1 1 5 5 TYR CA C 13 55.5887 0.0000 . 1 . 6708 . . 5 TYR CA . 26718 1 12 . 1 1 5 5 TYR CB C 13 38.7464 0.0000 . 1 . 12941 . . 5 TYR CB . 26718 1 13 . 1 1 5 5 TYR N N 15 115.8395 0.0000 . 1 . 7183 . . 5 TYR N . 26718 1 14 . 1 1 6 6 GLN H H 1 8.5672 0.0000 . 1 . 6512 . . 6 GLN H . 26718 1 15 . 1 1 6 6 GLN CA C 13 54.1246 0.0000 . 1 . 5568 . . 6 GLN CA . 26718 1 16 . 1 1 6 6 GLN CB C 13 30.0615 0.0000 . 1 . 5583 . . 6 GLN CB . 26718 1 17 . 1 1 6 6 GLN N N 15 120.9199 0.0000 . 1 . 6514 . . 6 GLN N . 26718 1 18 . 1 1 7 7 LEU H H 1 8.4491 0.0000 . 1 . 5054 . . 7 LEU H . 26718 1 19 . 1 1 7 7 LEU CA C 13 53.6344 0.0000 . 1 . 5055 . . 7 LEU CA . 26718 1 20 . 1 1 7 7 LEU CB C 13 41.2684 0.0000 . 1 . 5058 . . 7 LEU CB . 26718 1 21 . 1 1 7 7 LEU N N 15 124.6439 0.0000 . 1 . 5056 . . 7 LEU N . 26718 1 22 . 1 1 8 8 GLU H H 1 8.9982 0.0000 . 1 . 9722 . . 8 GLU H . 26718 1 23 . 1 1 8 8 GLU CA C 13 55.2964 0.0000 . 1 . 9729 . . 8 GLU CA . 26718 1 24 . 1 1 8 8 GLU CB C 13 30.4120 0.0000 . 1 . 9735 . . 8 GLU CB . 26718 1 25 . 1 1 8 8 GLU N N 15 122.0663 0.0000 . 1 . 9724 . . 8 GLU N . 26718 1 26 . 1 1 9 9 LYS H H 1 8.7809 0.0000 . 1 . 4625 . . 9 LYS H . 26718 1 27 . 1 1 9 9 LYS CA C 13 56.8742 0.0000 . 1 . 5667 . . 9 LYS CA . 26718 1 28 . 1 1 9 9 LYS CB C 13 32.5094 0.0000 . 1 . 5688 . . 9 LYS CB . 26718 1 29 . 1 1 9 9 LYS N N 15 120.1032 0.0000 . 1 . 4627 . . 9 LYS N . 26718 1 30 . 1 1 10 10 GLU H H 1 7.5042 0.0000 . 1 . 7115 . . 10 GLU H . 26718 1 31 . 1 1 10 10 GLU CA C 13 52.7417 0.0000 . 1 . 5868 . . 10 GLU CA . 26718 1 32 . 1 1 10 10 GLU CB C 13 30.1103 0.0000 . 1 . 5880 . . 10 GLU CB . 26718 1 33 . 1 1 10 10 GLU N N 15 118.0687 0.0000 . 1 . 7117 . . 10 GLU N . 26718 1 34 . 1 1 11 11 PRO CA C 13 61.7130 0.0000 . 1 . 6285 . . 11 PRO CA . 26718 1 35 . 1 1 11 11 PRO CB C 13 30.3170 0.0000 . 1 . 5019 . . 11 PRO CB . 26718 1 36 . 1 1 12 12 ILE H H 1 9.2936 0.0000 . 1 . 5009 . . 12 ILE H . 26718 1 37 . 1 1 12 12 ILE CA C 13 60.6313 0.0000 . 1 . 6288 . . 12 ILE CA . 26718 1 38 . 1 1 12 12 ILE CB C 13 37.6210 0.0000 . 1 . 14963 . . 12 ILE CB . 26718 1 39 . 1 1 12 12 ILE N N 15 125.5725 0.0000 . 1 . 5011 . . 12 ILE N . 26718 1 40 . 1 1 13 13 VAL H H 1 8.6225 0.0000 . 1 . 4838 . . 13 VAL H . 26718 1 41 . 1 1 13 13 VAL CA C 13 64.4972 0.0000 . 1 . 6219 . . 13 VAL CA . 26718 1 42 . 1 1 13 13 VAL CB C 13 30.2965 0.0000 . 1 . 4836 . . 13 VAL CB . 26718 1 43 . 1 1 13 13 VAL N N 15 132.6659 0.0000 . 1 . 4840 . . 13 VAL N . 26718 1 44 . 1 1 14 14 GLY H H 1 8.6706 0.0000 . 1 . 6056 . . 14 GLY H . 26718 1 45 . 1 1 14 14 GLY CA C 13 44.7315 0.0000 . 1 . 6057 . . 14 GLY CA . 26718 1 46 . 1 1 14 14 GLY N N 15 114.8647 0.0000 . 1 . 6058 . . 14 GLY N . 26718 1 47 . 1 1 15 15 ALA H H 1 6.9178 0.0000 . 1 . 5285 . . 15 ALA H . 26718 1 48 . 1 1 15 15 ALA CA C 13 50.3089 0.0000 . 1 . 6381 . . 15 ALA CA . 26718 1 49 . 1 1 15 15 ALA CB C 13 18.5311 0.0000 . 1 . 5295 . . 15 ALA CB . 26718 1 50 . 1 1 15 15 ALA N N 15 122.4361 0.0000 . 1 . 5287 . . 15 ALA N . 26718 1 51 . 1 1 16 16 GLU H H 1 8.9142 0.0000 . 1 . 4988 . . 16 GLU H . 26718 1 52 . 1 1 16 16 GLU CA C 13 57.0089 0.0000 . 1 . 6273 . . 16 GLU CA . 26718 1 53 . 1 1 16 16 GLU CB C 13 30.0966 0.0000 . 1 . 4986 . . 16 GLU CB . 26718 1 54 . 1 1 16 16 GLU N N 15 126.2711 0.0000 . 1 . 4990 . . 16 GLU N . 26718 1 55 . 1 1 17 17 THR H H 1 8.4965 0.0000 . 1 . 6377 . . 17 THR H . 26718 1 56 . 1 1 17 17 THR CA C 13 60.8720 0.0000 . 1 . 5256 . . 17 THR CA . 26718 1 57 . 1 1 17 17 THR CB C 13 69.5004 0.0000 . 1 . 5253 . . 17 THR CB . 26718 1 58 . 1 1 17 17 THR N N 15 122.4460 0.0000 . 1 . 6379 . . 17 THR N . 26718 1 59 . 1 1 18 18 PHE H H 1 9.2974 0.0000 . 1 . 4952 . . 18 PHE H . 26718 1 60 . 1 1 18 18 PHE CA C 13 55.6381 0.0000 . 1 . 6264 . . 18 PHE CA . 26718 1 61 . 1 1 18 18 PHE CB C 13 40.3982 0.0000 . 1 . 4953 . . 18 PHE CB . 26718 1 62 . 1 1 18 18 PHE N N 15 127.7191 0.0000 . 1 . 4954 . . 18 PHE N . 26718 1 63 . 1 1 19 19 TYR H H 1 9.1236 0.0000 . 1 . 6293 . . 19 TYR H . 26718 1 64 . 1 1 19 19 TYR CA C 13 56.7042 0.0000 . 1 . 5025 . . 19 TYR CA . 26718 1 65 . 1 1 19 19 TYR CB C 13 35.8135 0.0000 . 1 . 5040 . . 19 TYR CB . 26718 1 66 . 1 1 19 19 TYR N N 15 125.2648 0.0000 . 1 . 6295 . . 19 TYR N . 26718 1 67 . 1 1 20 20 VAL H H 1 8.5740 0.0000 . 1 . 5747 . . 20 VAL H . 26718 1 68 . 1 1 20 20 VAL CA C 13 58.8615 0.0000 . 1 . 5748 . . 20 VAL CA . 26718 1 69 . 1 1 20 20 VAL N N 15 119.0192 0.0000 . 1 . 5749 . . 20 VAL N . 26718 1 70 . 1 1 21 21 ASP H H 1 8.7094 0.0000 . 1 . 5504 . . 21 ASP H . 26718 1 71 . 1 1 21 21 ASP CA C 13 53.4625 0.0000 . 1 . 6504 . . 21 ASP CA . 26718 1 72 . 1 1 21 21 ASP CB C 13 44.3233 0.0000 . 1 . 5529 . . 21 ASP CB . 26718 1 73 . 1 1 21 21 ASP N N 15 121.0770 0.0000 . 1 . 5506 . . 21 ASP N . 26718 1 74 . 1 1 22 22 GLY H H 1 8.4251 0.0000 . 1 . 6788 . . 22 GLY H . 26718 1 75 . 1 1 22 22 GLY CA C 13 45.4646 0.0000 . 1 . 6792 . . 22 GLY CA . 26718 1 76 . 1 1 22 22 GLY N N 15 109.7629 0.0000 . 1 . 6790 . . 22 GLY N . 26718 1 77 . 1 1 23 23 ALA H H 1 8.2999 0.0000 . 1 . 5126 . . 23 ALA H . 26718 1 78 . 1 1 23 23 ALA CA C 13 52.1377 0.0000 . 1 . 6336 . . 23 ALA CA . 26718 1 79 . 1 1 23 23 ALA CB C 13 22.0013 0.0000 . 1 . 5142 . . 23 ALA CB . 26718 1 80 . 1 1 23 23 ALA N N 15 123.8989 0.0000 . 1 . 5128 . . 23 ALA N . 26718 1 81 . 1 1 24 24 ALA H H 1 8.7051 0.0000 . 1 . 5339 . . 24 ALA H . 26718 1 82 . 1 1 24 24 ALA CA C 13 49.9547 0.0000 . 1 . 5343 . . 24 ALA CA . 26718 1 83 . 1 1 24 24 ALA CB C 13 21.1732 0.0000 . 1 . 5370 . . 24 ALA CB . 26718 1 84 . 1 1 24 24 ALA N N 15 121.9494 0.0000 . 1 . 5341 . . 24 ALA N . 26718 1 85 . 1 1 25 25 ASN H H 1 8.2392 0.0000 . 1 . 5459 . . 25 ASN H . 26718 1 86 . 1 1 25 25 ASN CA C 13 52.0569 0.0000 . 1 . 6480 . . 25 ASN CA . 26718 1 87 . 1 1 25 25 ASN N N 15 121.4183 0.0000 . 1 . 5461 . . 25 ASN N . 26718 1 88 . 1 1 26 26 ARG H H 1 8.9985 0.0000 . 1 . 4430 . . 26 ARG H . 26718 1 89 . 1 1 26 26 ARG CA C 13 58.2465 0.0000 . 1 . 8334 . . 26 ARG CA . 26718 1 90 . 1 1 26 26 ARG N N 15 128.0809 0.0000 . 1 . 4432 . . 26 ARG N . 26718 1 91 . 1 1 27 27 GLU H H 1 8.3057 0.0000 . 1 . 5873 . . 27 GLU H . 26718 1 92 . 1 1 27 27 GLU CA C 13 58.5134 0.0000 . 1 . 5859 . . 27 GLU CA . 26718 1 93 . 1 1 27 27 GLU CB C 13 29.3642 0.0000 . 1 . 5883 . . 27 GLU CB . 26718 1 94 . 1 1 27 27 GLU N N 15 118.0941 0.0000 . 1 . 5875 . . 27 GLU N . 26718 1 95 . 1 1 28 28 THR H H 1 7.9612 0.0000 . 1 . 6185 . . 28 THR H . 26718 1 96 . 1 1 28 28 THR CA C 13 61.2880 0.0000 . 1 . 6813 . . 28 THR CA . 26718 1 97 . 1 1 28 28 THR CB C 13 69.6776 0.0000 . 1 . 6186 . . 28 THR CB . 26718 1 98 . 1 1 28 28 THR N N 15 108.4177 0.0000 . 1 . 6187 . . 28 THR N . 26718 1 99 . 1 1 29 29 LYS H H 1 8.0355 0.0000 . 1 . 7160 . . 29 LYS H . 26718 1 100 . 1 1 29 29 LYS CA C 13 57.4762 0.0000 . 1 . 5955 . . 29 LYS CA . 26718 1 101 . 1 1 29 29 LYS CB C 13 28.2077 0.0000 . 1 . 5961 . . 29 LYS CB . 26718 1 102 . 1 1 29 29 LYS N N 15 116.6562 0.0000 . 1 . 7162 . . 29 LYS N . 26718 1 103 . 1 1 30 30 LEU H H 1 7.3623 0.0000 . 1 . 6605 . . 30 LEU H . 26718 1 104 . 1 1 30 30 LEU CA C 13 53.6731 0.0000 . 1 . 5790 . . 30 LEU CA . 26718 1 105 . 1 1 30 30 LEU CB C 13 42.5592 0.0000 . 1 . 5796 . . 30 LEU CB . 26718 1 106 . 1 1 30 30 LEU N N 15 118.7103 0.0000 . 1 . 6607 . . 30 LEU N . 26718 1 107 . 1 1 31 31 GLY H H 1 8.9475 0.0000 . 1 . 6776 . . 31 GLY H . 26718 1 108 . 1 1 31 31 GLY CA C 13 44.3031 0.0000 . 1 . 6129 . . 31 GLY CA . 26718 1 109 . 1 1 31 31 GLY N N 15 111.4016 0.0000 . 1 . 6778 . . 31 GLY N . 26718 1 110 . 1 1 32 32 LYS H H 1 8.5575 0.0000 . 1 . 4619 . . 32 LYS H . 26718 1 111 . 1 1 32 32 LYS CB C 13 35.5473 0.0000 . 1 . 5646 . . 32 LYS CB . 26718 1 112 . 1 1 32 32 LYS N N 15 120.3795 0.0000 . 1 . 4621 . . 32 LYS N . 26718 1 113 . 1 1 33 33 ALA H H 1 8.4863 0.0000 . 1 . 6338 . . 33 ALA H . 26718 1 114 . 1 1 33 33 ALA CA C 13 49.7474 0.0000 . 1 . 6342 . . 33 ALA CA . 26718 1 115 . 1 1 33 33 ALA CB C 13 22.1787 0.0000 . 1 . 5163 . . 33 ALA CB . 26718 1 116 . 1 1 33 33 ALA N N 15 123.5496 0.0000 . 1 . 6340 . . 33 ALA N . 26718 1 117 . 1 1 34 34 GLY H H 1 8.7311 0.0000 . 1 . 6197 . . 34 GLY H . 26718 1 118 . 1 1 34 34 GLY CA C 13 46.2213 0.0000 . 1 . 6825 . . 34 GLY CA . 26718 1 119 . 1 1 34 34 GLY N N 15 107.1468 0.0000 . 1 . 6199 . . 34 GLY N . 26718 1 120 . 1 1 35 35 TYR H H 1 8.3882 0.0000 . 1 . 4781 . . 35 TYR H . 26718 1 121 . 1 1 35 35 TYR CA C 13 55.1686 0.0000 . 1 . 6774 . . 35 TYR CA . 26718 1 122 . 1 1 35 35 TYR CB C 13 42.1780 0.0000 . 1 . 6126 . . 35 TYR CB . 26718 1 123 . 1 1 35 35 TYR N N 15 111.7693 0.0000 . 1 . 4783 . . 35 TYR N . 26718 1 124 . 1 1 36 36 VAL H H 1 8.4965 0.0000 . 1 . 6680 . . 36 VAL H . 26718 1 125 . 1 1 36 36 VAL CA C 13 60.4544 0.0000 . 1 . 6681 . . 36 VAL CA . 26718 1 126 . 1 1 36 36 VAL CB C 13 34.7567 0.0000 . 1 . 5952 . . 36 VAL CB . 26718 1 127 . 1 1 36 36 VAL N N 15 116.8947 0.0000 . 1 . 6682 . . 36 VAL N . 26718 1 128 . 1 1 37 37 THR H H 1 8.8337 0.0000 . 1 . 6713 . . 37 THR H . 26718 1 129 . 1 1 37 37 THR CA C 13 57.1965 0.0000 . 1 . 6717 . . 37 THR CA . 26718 1 130 . 1 1 37 37 THR CB C 13 72.3438 0.0000 . 1 . 6003 . . 37 THR CB . 26718 1 131 . 1 1 37 37 THR N N 15 115.6231 0.0000 . 1 . 6715 . . 37 THR N . 26718 1 132 . 1 1 38 38 ASN H H 1 8.9331 0.0000 . 1 . 5720 . . 38 ASN H . 26718 1 133 . 1 1 38 38 ASN CA C 13 53.9520 0.0000 . 1 . 5718 . . 38 ASN CA . 26718 1 134 . 1 1 38 38 ASN CB C 13 36.7809 0.0000 . 1 . 5721 . . 38 ASN CB . 26718 1 135 . 1 1 38 38 ASN N N 15 119.6717 0.0000 . 1 . 5722 . . 38 ASN N . 26718 1 136 . 1 1 39 39 ARG H H 1 8.0612 0.0000 . 1 . 5762 . . 39 ARG H . 26718 1 137 . 1 1 39 39 ARG CA C 13 54.8624 0.0000 . 1 . 6615 . . 39 ARG CA . 26718 1 138 . 1 1 39 39 ARG CB C 13 29.1492 0.0000 . 1 . 5769 . . 39 ARG CB . 26718 1 139 . 1 1 39 39 ARG N N 15 118.8848 0.0000 . 1 . 5764 . . 39 ARG N . 26718 1 140 . 1 1 40 40 GLY H H 1 7.8057 0.0000 . 1 . 6821 . . 40 GLY H . 26718 1 141 . 1 1 40 40 GLY CA C 13 45.2369 0.0000 . 1 . 6819 . . 40 GLY CA . 26718 1 142 . 1 1 40 40 GLY N N 15 108.4145 0.0000 . 1 . 6823 . . 40 GLY N . 26718 1 143 . 1 1 41 41 ARG H H 1 7.1560 0.0000 . 1 . 6611 . . 41 ARG H . 26718 1 144 . 1 1 41 41 ARG CA C 13 55.9641 0.0000 . 1 . 6612 . . 41 ARG CA . 26718 1 145 . 1 1 41 41 ARG CB C 13 31.0220 0.0000 . 1 . 5802 . . 41 ARG CB . 26718 1 146 . 1 1 41 41 ARG N N 15 118.8515 0.0000 . 1 . 6613 . . 41 ARG N . 26718 1 147 . 1 1 42 42 GLN H H 1 8.4433 0.0000 . 1 . 6587 . . 42 GLN H . 26718 1 148 . 1 1 42 42 GLN CA C 13 54.6061 0.0000 . 1 . 6585 . . 42 GLN CA . 26718 1 149 . 1 1 42 42 GLN CB C 13 31.7080 0.0000 . 1 . 5739 . . 42 GLN CB . 26718 1 150 . 1 1 42 42 GLN N N 15 119.1573 0.0000 . 1 . 6589 . . 42 GLN N . 26718 1 151 . 1 1 43 43 LYS H H 1 7.6184 0.0000 . 1 . 5102 . . 43 LYS H . 26718 1 152 . 1 1 43 43 LYS CA C 13 56.0507 0.0000 . 1 . 5088 . . 43 LYS CA . 26718 1 153 . 1 1 43 43 LYS CB C 13 33.9697 0.0000 . 1 . 5103 . . 43 LYS CB . 26718 1 154 . 1 1 43 43 LYS N N 15 124.1991 0.0000 . 1 . 5104 . . 43 LYS N . 26718 1 155 . 1 1 44 44 VAL H H 1 8.0615 0.0000 . 1 . 6332 . . 44 VAL H . 26718 1 156 . 1 1 44 44 VAL CA C 13 60.6462 0.0000 . 1 . 5118 . . 44 VAL CA . 26718 1 157 . 1 1 44 44 VAL CB C 13 34.3033 0.0000 . 1 . 5130 . . 44 VAL CB . 26718 1 158 . 1 1 44 44 VAL N N 15 123.8760 0.0000 . 1 . 6334 . . 44 VAL N . 26718 1 159 . 1 1 45 45 VAL H H 1 9.2763 0.0000 . 1 . 5048 . . 45 VAL H . 26718 1 160 . 1 1 45 45 VAL CA C 13 59.3353 0.0000 . 1 . 6306 . . 45 VAL CA . 26718 1 161 . 1 1 45 45 VAL CB C 13 33.9286 0.0000 . 1 . 5061 . . 45 VAL CB . 26718 1 162 . 1 1 45 45 VAL N N 15 124.5672 0.0000 . 1 . 5050 . . 45 VAL N . 26718 1 163 . 1 1 46 46 THR H H 1 8.3217 0.0000 . 1 . 7481 . . 46 THR H . 26718 1 164 . 1 1 46 46 THR CA C 13 61.4141 0.0000 . 1 . 11596 . . 46 THR CA . 26718 1 165 . 1 1 46 46 THR CB C 13 69.2897 0.0000 . 1 . 11639 . . 46 THR CB . 26718 1 166 . 1 1 46 46 THR N N 15 118.5227 0.0000 . 1 . 7482 . . 46 THR N . 26718 1 167 . 1 1 47 47 LEU H H 1 8.7309 0.0000 . 1 . 4943 . . 47 LEU H . 26718 1 168 . 1 1 47 47 LEU CA C 13 53.3777 0.0000 . 1 . 4938 . . 47 LEU CA . 26718 1 169 . 1 1 47 47 LEU CB C 13 44.2575 0.0000 . 1 . 4941 . . 47 LEU CB . 26718 1 170 . 1 1 47 47 LEU N N 15 127.9297 0.0000 . 1 . 4945 . . 47 LEU N . 26718 1 171 . 1 1 48 48 THR H H 1 8.1293 0.0000 . 1 . 4775 . . 48 THR H . 26718 1 172 . 1 1 48 48 THR CA C 13 60.0015 0.0000 . 1 . 6090 . . 48 THR CA . 26718 1 173 . 1 1 48 48 THR CB C 13 70.1510 0.0000 . 1 . 6084 . . 48 THR CB . 26718 1 174 . 1 1 48 48 THR N N 15 113.1634 0.0000 . 1 . 4777 . . 48 THR N . 26718 1 175 . 1 1 49 49 ASP H H 1 8.5427 0.0000 . 1 . 5219 . . 49 ASP H . 26718 1 176 . 1 1 49 49 ASP CA C 13 54.8735 0.0000 . 1 . 6366 . . 49 ASP CA . 26718 1 177 . 1 1 49 49 ASP CB C 13 39.1711 0.0000 . 1 . 5229 . . 49 ASP CB . 26718 1 178 . 1 1 49 49 ASP N N 15 122.9214 0.0000 . 1 . 5221 . . 49 ASP N . 26718 1 179 . 1 1 50 50 THR H H 1 8.7963 0.0000 . 1 . 6044 . . 50 THR H . 26718 1 180 . 1 1 50 50 THR CA C 13 59.2637 0.0000 . 1 . 6738 . . 50 THR CA . 26718 1 181 . 1 1 50 50 THR CB C 13 69.7571 0.0000 . 1 . 6036 . . 50 THR CB . 26718 1 182 . 1 1 50 50 THR N N 15 115.0917 0.0000 . 1 . 6046 . . 50 THR N . 26718 1 183 . 1 1 51 51 THR H H 1 8.1111 0.0000 . 1 . 6785 . . 51 THR H . 26718 1 184 . 1 1 51 51 THR CA C 13 58.1567 0.0000 . 1 . 6147 . . 51 THR CA . 26718 1 185 . 1 1 51 51 THR CB C 13 72.2686 0.0000 . 1 . 6138 . . 51 THR CB . 26718 1 186 . 1 1 51 51 THR N N 15 110.1567 0.0000 . 1 . 6787 . . 51 THR N . 26718 1 187 . 1 1 52 52 ASN CA C 13 57.5106 0.0000 . 1 . 6603 . . 52 ASN CA . 26718 1 188 . 1 1 52 52 ASN CB C 13 38.0166 0.0000 . 1 . 7083 . . 52 ASN CB . 26718 1 189 . 1 1 53 53 GLN H H 1 8.7260 0.0000 . 1 . 6599 . . 53 GLN H . 26718 1 190 . 1 1 53 53 GLN CA C 13 59.4790 0.0000 . 1 . 6600 . . 53 GLN CA . 26718 1 191 . 1 1 53 53 GLN CB C 13 27.4040 0.0000 . 1 . 5808 . . 53 GLN CB . 26718 1 192 . 1 1 53 53 GLN N N 15 118.7545 0.0000 . 1 . 6601 . . 53 GLN N . 26718 1 193 . 1 1 54 54 LYS H H 1 7.4569 0.0000 . 1 . 5933 . . 54 LYS H . 26718 1 194 . 1 1 54 54 LYS CA C 13 60.4593 0.0000 . 1 . 5931 . . 54 LYS CA . 26718 1 195 . 1 1 54 54 LYS CB C 13 31.0130 0.0000 . 1 . 5928 . . 54 LYS CB . 26718 1 196 . 1 1 54 54 LYS N N 15 117.2524 0.0000 . 1 . 5935 . . 54 LYS N . 26718 1 197 . 1 1 55 55 THR H H 1 8.0581 0.0000 . 1 . 6749 . . 55 THR H . 26718 1 198 . 1 1 55 55 THR CA C 13 66.4987 0.0000 . 1 . 6750 . . 55 THR CA . 26718 1 199 . 1 1 55 55 THR CB C 13 67.4811 0.0000 . 1 . 13424 . . 55 THR CB . 26718 1 200 . 1 1 55 55 THR N N 15 113.8897 0.0000 . 1 . 6751 . . 55 THR N . 26718 1 201 . 1 1 56 56 GLU H H 1 7.8756 0.0000 . 1 . 5291 . . 56 GLU H . 26718 1 202 . 1 1 56 56 GLU CA C 13 59.3065 0.0000 . 1 . 5262 . . 56 GLU CA . 26718 1 203 . 1 1 56 56 GLU CB C 13 28.0961 0.0000 . 1 . 5292 . . 56 GLU CB . 26718 1 204 . 1 1 56 56 GLU N N 15 122.4435 0.0000 . 1 . 5293 . . 56 GLU N . 26718 1 205 . 1 1 57 57 LEU H H 1 7.5373 0.0000 . 1 . 6629 . . 57 LEU H . 26718 1 206 . 1 1 57 57 LEU CA C 13 57.2295 0.0000 . 1 . 6633 . . 57 LEU CA . 26718 1 207 . 1 1 57 57 LEU CB C 13 41.4625 0.0000 . 1 . 5829 . . 57 LEU CB . 26718 1 208 . 1 1 57 57 LEU N N 15 118.5266 0.0000 . 1 . 6631 . . 57 LEU N . 26718 1 209 . 1 1 58 58 GLN H H 1 8.8960 0.0000 . 1 . 5447 . . 58 GLN H . 26718 1 210 . 1 1 58 58 GLN CA C 13 57.9919 0.0000 . 1 . 5427 . . 58 GLN CA . 26718 1 211 . 1 1 58 58 GLN CB C 13 26.4238 0.0000 . 1 . 5448 . . 58 GLN CB . 26718 1 212 . 1 1 58 58 GLN N N 15 121.4748 0.0000 . 1 . 5449 . . 58 GLN N . 26718 1 213 . 1 1 59 59 ALA CA C 13 55.3832 0.0000 . 1 . 6723 . . 59 ALA CA . 26718 1 214 . 1 1 59 59 ALA CB C 13 17.9364 0.0000 . 1 . 7197 . . 59 ALA CB . 26718 1 215 . 1 1 60 60 ILE H H 1 6.7855 0.0000 . 1 . 6722 . . 60 ILE H . 26718 1 216 . 1 1 60 60 ILE CA C 13 64.6941 0.0000 . 1 . 6711 . . 60 ILE CA . 26718 1 217 . 1 1 60 60 ILE CB C 13 37.0290 0.0000 . 1 . 6018 . . 60 ILE CB . 26718 1 218 . 1 1 60 60 ILE N N 15 115.5396 0.0000 . 1 . 6724 . . 60 ILE N . 26718 1 219 . 1 1 61 61 TYR H H 1 8.1569 0.0000 . 1 . 5642 . . 61 TYR H . 26718 1 220 . 1 1 61 61 TYR CA C 13 60.6072 0.0000 . 1 . 6543 . . 61 TYR CA . 26718 1 221 . 1 1 61 61 TYR CB C 13 36.9978 0.0000 . 1 . 5643 . . 61 TYR CB . 26718 1 222 . 1 1 61 61 TYR N N 15 120.3942 0.0000 . 1 . 5644 . . 61 TYR N . 26718 1 223 . 1 1 62 62 LEU H H 1 8.5111 0.0000 . 1 . 7073 . . 62 LEU H . 26718 1 224 . 1 1 62 62 LEU CA C 13 57.2934 0.0000 . 1 . 6597 . . 62 LEU CA . 26718 1 225 . 1 1 62 62 LEU CB C 13 41.7141 0.0000 . 1 . 5760 . . 62 LEU CB . 26718 1 226 . 1 1 62 62 LEU N N 15 118.9616 0.0000 . 1 . 7075 . . 62 LEU N . 26718 1 227 . 1 1 63 63 ALA H H 1 7.0709 0.0000 . 1 . 6641 . . 63 ALA H . 26718 1 228 . 1 1 63 63 ALA CA C 13 53.4486 0.0000 . 1 . 5847 . . 63 ALA CA . 26718 1 229 . 1 1 63 63 ALA CB C 13 18.4914 0.0000 . 1 . 5856 . . 63 ALA CB . 26718 1 230 . 1 1 63 63 ALA N N 15 118.3642 0.0000 . 1 . 6643 . . 63 ALA N . 26718 1 231 . 1 1 64 64 LEU H H 1 7.6816 0.0000 . 1 . 7130 . . 64 LEU H . 26718 1 232 . 1 1 64 64 LEU CA C 13 57.1997 0.0000 . 1 . 6666 . . 64 LEU CA . 26718 1 233 . 1 1 64 64 LEU CB C 13 40.4833 0.0000 . 1 . 5892 . . 64 LEU CB . 26718 1 234 . 1 1 64 64 LEU N N 15 117.6828 0.0000 . 1 . 7132 . . 64 LEU N . 26718 1 235 . 1 1 65 65 GLN H H 1 8.1651 0.0000 . 1 . 7103 . . 65 GLN H . 26718 1 236 . 1 1 65 65 GLN CA C 13 58.4632 0.0000 . 1 . 11904 . . 65 GLN CA . 26718 1 237 . 1 1 65 65 GLN CB C 13 29.1280 0.0000 . 1 . 11986 . . 65 GLN CB . 26718 1 238 . 1 1 65 65 GLN N N 15 118.3321 0.0000 . 1 . 7105 . . 65 GLN N . 26718 1 239 . 1 1 66 66 ASP H H 1 7.3881 0.0000 . 1 . 5981 . . 66 ASP H . 26718 1 240 . 1 1 66 66 ASP CA C 13 54.1695 0.0000 . 1 . 6702 . . 66 ASP CA . 26718 1 241 . 1 1 66 66 ASP CB C 13 38.7873 0.0000 . 1 . 5991 . . 66 ASP CB . 26718 1 242 . 1 1 66 66 ASP N N 15 116.2214 0.0000 . 1 . 5983 . . 66 ASP N . 26718 1 243 . 1 1 67 67 SER H H 1 6.9831 0.0000 . 1 . 4766 . . 67 SER H . 26718 1 244 . 1 1 67 67 SER CA C 13 55.7305 0.0000 . 1 . 6066 . . 67 SER CA . 26718 1 245 . 1 1 67 67 SER CB C 13 66.7905 0.0000 . 1 . 6060 . . 67 SER CB . 26718 1 246 . 1 1 67 67 SER N N 15 113.9521 0.0000 . 1 . 4768 . . 67 SER N . 26718 1 247 . 1 1 68 68 GLY H H 1 8.2198 0.0000 . 1 . 4817 . . 68 GLY H . 26718 1 248 . 1 1 68 68 GLY CA C 13 43.6721 0.0000 . 1 . 6210 . . 68 GLY CA . 26718 1 249 . 1 1 68 68 GLY N N 15 105.7398 0.0000 . 1 . 4819 . . 68 GLY N . 26718 1 250 . 1 1 69 69 LEU H H 1 8.2727 0.0000 . 1 . 5780 . . 69 LEU H . 26718 1 251 . 1 1 69 69 LEU CA C 13 57.1517 0.0000 . 1 . 6609 . . 69 LEU CA . 26718 1 252 . 1 1 69 69 LEU CB C 13 41.6848 0.0000 . 1 . 5799 . . 69 LEU CB . 26718 1 253 . 1 1 69 69 LEU N N 15 118.7203 0.0000 . 1 . 5782 . . 69 LEU N . 26718 1 254 . 1 1 70 70 GLU H H 1 7.4880 0.0000 . 1 . 6698 . . 70 GLU H . 26718 1 255 . 1 1 70 70 GLU CA C 13 53.4206 0.0000 . 1 . 5985 . . 70 GLU CA . 26718 1 256 . 1 1 70 70 GLU CB C 13 31.4780 0.0000 . 1 . 5994 . . 70 GLU CB . 26718 1 257 . 1 1 70 70 GLU N N 15 116.1685 0.0000 . 1 . 6700 . . 70 GLU N . 26718 1 258 . 1 1 71 71 VAL H H 1 8.0717 0.0000 . 1 . 4631 . . 71 VAL H . 26718 1 259 . 1 1 71 71 VAL CA C 13 60.7333 0.0000 . 1 . 6558 . . 71 VAL CA . 26718 1 260 . 1 1 71 71 VAL CB C 13 33.4942 0.0000 . 1 . 5685 . . 71 VAL CB . 26718 1 261 . 1 1 71 71 VAL N N 15 120.2216 0.0000 . 1 . 4633 . . 71 VAL N . 26718 1 262 . 1 1 72 72 ASN H H 1 7.8266 0.0000 . 1 . 6344 . . 72 ASN H . 26718 1 263 . 1 1 72 72 ASN CA C 13 51.4039 0.0000 . 1 . 6348 . . 72 ASN CA . 26718 1 264 . 1 1 72 72 ASN CB C 13 40.9865 0.0000 . 1 . 5175 . . 72 ASN CB . 26718 1 265 . 1 1 72 72 ASN N N 15 123.4261 0.0000 . 1 . 6346 . . 72 ASN N . 26718 1 266 . 1 1 73 73 ILE H H 1 9.6980 0.0000 . 1 . 6281 . . 73 ILE H . 26718 1 267 . 1 1 73 73 ILE CA C 13 60.4554 0.0000 . 1 . 6276 . . 73 ILE CA . 26718 1 268 . 1 1 73 73 ILE CB C 13 39.8054 0.0000 . 1 . 5007 . . 73 ILE CB . 26718 1 269 . 1 1 73 73 ILE N N 15 125.7326 0.0000 . 1 . 6283 . . 73 ILE N . 26718 1 270 . 1 1 74 74 VAL H H 1 8.8880 0.0000 . 1 . 4436 . . 74 VAL H . 26718 1 271 . 1 1 74 74 VAL CA C 13 60.2016 0.0000 . 1 . 4959 . . 74 VAL CA . 26718 1 272 . 1 1 74 74 VAL CB C 13 32.6894 0.0000 . 1 . 4965 . . 74 VAL CB . 26718 1 273 . 1 1 74 74 VAL N N 15 127.3068 0.0000 . 1 . 4438 . . 74 VAL N . 26718 1 274 . 1 1 75 75 THR H H 1 8.8284 0.0000 . 1 . 6977 . . 75 THR H . 26718 1 275 . 1 1 75 75 THR CB C 13 69.7890 0.0000 . 1 . 5412 . . 75 THR CB . 26718 1 276 . 1 1 75 75 THR N N 15 121.4692 0.0000 . 1 . 6979 . . 75 THR N . 26718 1 277 . 1 1 76 76 ASP H H 1 8.3169 0.0000 . 1 . 7339 . . 76 ASP H . 26718 1 278 . 1 1 76 76 ASP CA C 13 53.3452 0.0000 . 1 . 8798 . . 76 ASP CA . 26718 1 279 . 1 1 76 76 ASP N N 15 125.2407 0.0000 . 1 . 7340 . . 76 ASP N . 26718 1 280 . 1 1 77 77 SER H H 1 8.8212 0.0000 . 1 . 4700 . . 77 SER H . 26718 1 281 . 1 1 77 77 SER CA C 13 56.1969 0.0000 . 1 . 5910 . . 77 SER CA . 26718 1 282 . 1 1 77 77 SER CB C 13 61.8409 0.0000 . 1 . 5901 . . 77 SER CB . 26718 1 283 . 1 1 77 77 SER N N 15 117.5615 0.0000 . 1 . 4702 . . 77 SER N . 26718 1 284 . 1 1 78 78 GLN H H 1 8.5970 0.0000 . 1 . 4898 . . 78 GLN H . 26718 1 285 . 1 1 78 78 GLN CA C 13 58.2326 0.0000 . 1 . 4908 . . 78 GLN CA . 26718 1 286 . 1 1 78 78 GLN CB C 13 27.4381 0.0000 . 1 . 4905 . . 78 GLN CB . 26718 1 287 . 1 1 78 78 GLN N N 15 130.4893 0.0000 . 1 . 4900 . . 78 GLN N . 26718 1 288 . 1 1 79 79 TYR CA C 13 60.4264 0.0000 . 1 . 4554 . . 79 TYR CA . 26718 1 289 . 1 1 80 80 ALA H H 1 8.5658 0.0000 . 1 . 5435 . . 80 ALA H . 26718 1 290 . 1 1 80 80 ALA CA C 13 54.0996 0.0000 . 1 . 4755 . . 80 ALA CA . 26718 1 291 . 1 1 80 80 ALA CB C 13 17.5723 0.0000 . 1 . 5454 . . 80 ALA CB . 26718 1 292 . 1 1 80 80 ALA N N 15 121.3627 0.0000 . 1 . 5437 . . 80 ALA N . 26718 1 293 . 1 1 81 81 LEU H H 1 7.2287 0.0000 . 1 . 6746 . . 81 LEU H . 26718 1 294 . 1 1 81 81 LEU CA C 13 57.4031 0.0000 . 1 . 6741 . . 81 LEU CA . 26718 1 295 . 1 1 81 81 LEU CB C 13 40.7098 0.0000 . 1 . 6051 . . 81 LEU CB . 26718 1 296 . 1 1 81 81 LEU N N 15 115.1208 0.0000 . 1 . 6748 . . 81 LEU N . 26718 1 297 . 1 1 82 82 GLY H H 1 7.7182 0.0000 . 1 . 7298 . . 82 GLY H . 26718 1 298 . 1 1 82 82 GLY CA C 13 46.3710 0.0000 . 1 . 6213 . . 82 GLY CA . 26718 1 299 . 1 1 82 82 GLY N N 15 105.4976 0.0000 . 1 . 7300 . . 82 GLY N . 26718 1 300 . 1 1 83 83 ILE H H 1 7.4568 0.0000 . 1 . 5438 . . 83 ILE H . 26718 1 301 . 1 1 83 83 ILE CA C 13 62.2458 0.0000 . 1 . 5418 . . 83 ILE CA . 26718 1 302 . 1 1 83 83 ILE CB C 13 36.6341 0.0000 . 1 . 5445 . . 83 ILE CB . 26718 1 303 . 1 1 83 83 ILE N N 15 121.5903 0.0000 . 1 . 5440 . . 83 ILE N . 26718 1 304 . 1 1 84 84 ILE H H 1 7.3497 0.0000 . 1 . 5765 . . 84 ILE H . 26718 1 305 . 1 1 84 84 ILE CA C 13 63.4634 0.0000 . 1 . 6591 . . 84 ILE CA . 26718 1 306 . 1 1 84 84 ILE N N 15 119.0422 0.0000 . 1 . 5767 . . 84 ILE N . 26718 1 307 . 1 1 85 85 GLN H H 1 7.9056 0.0000 . 1 . 12402 . . 85 GLN H . 26718 1 308 . 1 1 85 85 GLN CA C 13 57.2474 0.0000 . 1 . 12406 . . 85 GLN CA . 26718 1 309 . 1 1 85 85 GLN CB C 13 28.2880 0.0000 . 1 . 12447 . . 85 GLN CB . 26718 1 310 . 1 1 85 85 GLN N N 15 117.6612 0.0000 . 1 . 12404 . . 85 GLN N . 26718 1 311 . 1 1 86 86 ALA H H 1 7.4142 0.0000 . 1 . 6446 . . 86 ALA H . 26718 1 312 . 1 1 86 86 ALA CA C 13 52.4527 0.0000 . 1 . 5388 . . 86 ALA CA . 26718 1 313 . 1 1 86 86 ALA CB C 13 18.5141 0.0000 . 1 . 5409 . . 86 ALA CB . 26718 1 314 . 1 1 86 86 ALA N N 15 121.8132 0.0000 . 1 . 6448 . . 86 ALA N . 26718 1 315 . 1 1 87 87 GLN H H 1 7.7876 0.0000 . 1 . 6656 . . 87 GLN H . 26718 1 316 . 1 1 87 87 GLN CA C 13 54.4234 0.0000 . 1 . 5865 . . 87 GLN CA . 26718 1 317 . 1 1 87 87 GLN CB C 13 27.4034 0.0000 . 1 . 5898 . . 87 GLN CB . 26718 1 318 . 1 1 87 87 GLN N N 15 117.9537 0.0000 . 1 . 6658 . . 87 GLN N . 26718 1 319 . 1 1 88 88 PRO CA C 13 62.8485 0.0000 . 1 . 5562 . . 88 PRO CA . 26718 1 320 . 1 1 88 88 PRO CB C 13 31.1777 0.0000 . 1 . 5580 . . 88 PRO CB . 26718 1 321 . 1 1 89 89 ASP H H 1 8.1126 0.0000 . 1 . 5579 . . 89 ASP H . 26718 1 322 . 1 1 89 89 ASP CA C 13 52.5928 0.0000 . 1 . 5526 . . 89 ASP CA . 26718 1 323 . 1 1 89 89 ASP CB C 13 40.9188 0.0000 . 1 . 5532 . . 89 ASP CB . 26718 1 324 . 1 1 89 89 ASP N N 15 120.9661 0.0000 . 1 . 5581 . . 89 ASP N . 26718 1 325 . 1 1 90 90 GLN H H 1 8.7206 0.0000 . 1 . 5072 . . 90 GLN H . 26718 1 326 . 1 1 90 90 GLN CA C 13 58.1125 0.0000 . 1 . 6312 . . 90 GLN CA . 26718 1 327 . 1 1 90 90 GLN CB C 13 27.7257 0.0000 . 1 . 5079 . . 90 GLN CB . 26718 1 328 . 1 1 90 90 GLN N N 15 124.3018 0.0000 . 1 . 5074 . . 90 GLN N . 26718 1 329 . 1 1 91 91 SER H H 1 8.3522 0.0000 . 1 . 5969 . . 91 SER H . 26718 1 330 . 1 1 91 91 SER CA C 13 60.6544 0.0000 . 1 . 5967 . . 91 SER CA . 26718 1 331 . 1 1 91 91 SER CB C 13 61.9826 0.0000 . 1 . 5964 . . 91 SER CB . 26718 1 332 . 1 1 91 91 SER N N 15 116.5177 0.0000 . 1 . 5971 . . 91 SER N . 26718 1 333 . 1 1 92 92 GLU H H 1 8.0391 0.0000 . 1 . 5021 . . 92 GLU H . 26718 1 334 . 1 1 92 92 GLU CA C 13 59.0067 0.0000 . 1 . 6279 . . 92 GLU CA . 26718 1 335 . 1 1 92 92 GLU CB C 13 28.7515 0.0000 . 1 . 5022 . . 92 GLU CB . 26718 1 336 . 1 1 92 92 GLU N N 15 125.6287 0.0000 . 1 . 5023 . . 92 GLU N . 26718 1 337 . 1 1 93 93 SER H H 1 7.8816 0.0000 . 1 . 7205 . . 93 SER H . 26718 1 338 . 1 1 93 93 SER CA C 13 61.4149 0.0000 . 1 . 6726 . . 93 SER CA . 26718 1 339 . 1 1 93 93 SER N N 15 115.2660 0.0000 . 1 . 7207 . . 93 SER N . 26718 1 340 . 1 1 94 94 GLU H H 1 7.9276 0.0000 . 1 . 15311 . . 94 GLU H . 26718 1 341 . 1 1 94 94 GLU CA C 13 58.8402 0.0000 . 1 . 15315 . . 94 GLU CA . 26718 1 342 . 1 1 94 94 GLU CB C 13 28.5026 0.0000 . 1 . 15377 . . 94 GLU CB . 26718 1 343 . 1 1 94 94 GLU N N 15 121.5911 0.0000 . 1 . 15313 . . 94 GLU N . 26718 1 344 . 1 1 95 95 LEU H H 1 7.2622 0.0000 . 1 . 6389 . . 95 LEU H . 26718 1 345 . 1 1 95 95 LEU CB C 13 41.0004 0.0000 . 1 . 5280 . . 95 LEU CB . 26718 1 346 . 1 1 95 95 LEU N N 15 122.3514 0.0000 . 1 . 6391 . . 95 LEU N . 26718 1 347 . 1 1 96 96 VAL H H 1 8.2257 0.0000 . 1 . 4634 . . 96 VAL H . 26718 1 348 . 1 1 96 96 VAL CA C 13 67.2460 0.0000 . 1 . 5658 . . 96 VAL CA . 26718 1 349 . 1 1 96 96 VAL N N 15 120.1048 0.0000 . 1 . 4636 . . 96 VAL N . 26718 1 350 . 1 1 97 97 ASN H H 1 7.9573 0.0000 . 1 . 12410 . . 97 ASN H . 26718 1 351 . 1 1 97 97 ASN CA C 13 56.2430 0.0000 . 1 . 12414 . . 97 ASN CA . 26718 1 352 . 1 1 97 97 ASN CB C 13 37.1987 0.0000 . 1 . 12420 . . 97 ASN CB . 26718 1 353 . 1 1 97 97 ASN N N 15 117.7538 0.0000 . 1 . 12412 . . 97 ASN N . 26718 1 354 . 1 1 98 98 GLN H H 1 7.8674 0.0000 . 1 . 6533 . . 98 GLN H . 26718 1 355 . 1 1 98 98 GLN CA C 13 58.6636 0.0000 . 1 . 6525 . . 98 GLN CA . 26718 1 356 . 1 1 98 98 GLN CB C 13 27.2224 0.0000 . 1 . 5616 . . 98 GLN CB . 26718 1 357 . 1 1 98 98 GLN N N 15 120.6236 0.0000 . 1 . 6535 . . 98 GLN N . 26718 1 358 . 1 1 99 99 ILE H H 1 8.1963 0.0000 . 1 . 5216 . . 99 ILE H . 26718 1 359 . 1 1 99 99 ILE CA C 13 65.6703 0.0000 . 1 . 6360 . . 99 ILE CA . 26718 1 360 . 1 1 99 99 ILE CB C 13 36.9562 0.0000 . 1 . 5241 . . 99 ILE CB . 26718 1 361 . 1 1 99 99 ILE N N 15 122.8516 0.0000 . 1 . 5218 . . 99 ILE N . 26718 1 362 . 1 1 100 100 ILE CA C 13 65.1074 0.0000 . 1 . 4689 . . 100 ILE CA . 26718 1 363 . 1 1 100 100 ILE CB C 13 36.4683 0.0000 . 1 . 15673 . . 100 ILE CB . 26718 1 364 . 1 1 101 101 GLU H H 1 7.8380 0.0000 . 1 . 4688 . . 101 GLU H . 26718 1 365 . 1 1 101 101 GLU CA C 13 59.1563 0.0000 . 1 . 6660 . . 101 GLU CA . 26718 1 366 . 1 1 101 101 GLU CB C 13 28.6469 0.0000 . 1 . 5922 . . 101 GLU CB . 26718 1 367 . 1 1 101 101 GLU N N 15 117.7207 0.0000 . 1 . 4690 . . 101 GLU N . 26718 1 368 . 1 1 102 102 GLN H H 1 7.3633 0.0000 . 1 . 6731 . . 102 GLN H . 26718 1 369 . 1 1 102 102 GLN CA C 13 57.2336 0.0000 . 1 . 6030 . . 102 GLN CA . 26718 1 370 . 1 1 102 102 GLN CB C 13 28.5743 0.0000 . 1 . 6033 . . 102 GLN CB . 26718 1 371 . 1 1 102 102 GLN N N 15 115.2144 0.0000 . 1 . 6733 . . 102 GLN N . 26718 1 372 . 1 1 103 103 LEU CA C 13 58.1352 0.0000 . 1 . 4749 . . 103 LEU CA . 26718 1 373 . 1 1 103 103 LEU CB C 13 40.6378 0.0000 . 1 . 7209 . . 103 LEU CB . 26718 1 374 . 1 1 104 104 ILE H H 1 7.8086 0.0000 . 1 . 6020 . . 104 ILE H . 26718 1 375 . 1 1 104 104 ILE CA C 13 63.8652 0.0000 . 1 . 6021 . . 104 ILE CA . 26718 1 376 . 1 1 104 104 ILE CB C 13 37.4768 0.0000 . 1 . 13297 . . 104 ILE CB . 26718 1 377 . 1 1 104 104 ILE N N 15 115.1539 0.0000 . 1 . 6022 . . 104 ILE N . 26718 1 378 . 1 1 105 105 LYS H H 1 6.8675 0.0000 . 1 . 5936 . . 105 LYS H . 26718 1 379 . 1 1 105 105 LYS CA C 13 56.4844 0.0000 . 1 . 6678 . . 105 LYS CA . 26718 1 380 . 1 1 105 105 LYS CB C 13 32.2163 0.0000 . 1 . 5940 . . 105 LYS CB . 26718 1 381 . 1 1 105 105 LYS N N 15 117.2324 0.0000 . 1 . 5938 . . 105 LYS N . 26718 1 382 . 1 1 106 106 LYS H H 1 7.1503 0.0000 . 1 . 6671 . . 106 LYS H . 26718 1 383 . 1 1 106 106 LYS CB C 13 31.6113 0.0000 . 1 . 5919 . . 106 LYS CB . 26718 1 384 . 1 1 106 106 LYS N N 15 117.7123 0.0000 . 1 . 6673 . . 106 LYS N . 26718 1 385 . 1 1 107 107 GLU H H 1 8.9904 0.0000 . 1 . 10076 . . 107 GLU H . 26718 1 386 . 1 1 107 107 GLU CA C 13 58.2612 0.0000 . 1 . 10083 . . 107 GLU CA . 26718 1 387 . 1 1 107 107 GLU N N 15 121.6123 0.0000 . 1 . 10078 . . 107 GLU N . 26718 1 388 . 1 1 108 108 LYS H H 1 7.6351 0.0000 . 1 . 6011 . . 108 LYS H . 26718 1 389 . 1 1 108 108 LYS CA C 13 55.7156 0.0000 . 1 . 6012 . . 108 LYS CA . 26718 1 390 . 1 1 108 108 LYS CB C 13 38.3262 0.0000 . 1 . 6015 . . 108 LYS CB . 26718 1 391 . 1 1 108 108 LYS N N 15 115.6303 0.0000 . 1 . 6013 . . 108 LYS N . 26718 1 392 . 1 1 109 109 VAL H H 1 8.9849 0.0000 . 1 . 9748 . . 109 VAL H . 26718 1 393 . 1 1 109 109 VAL CA C 13 60.0758 0.0000 . 1 . 9761 . . 109 VAL CA . 26718 1 394 . 1 1 109 109 VAL CB C 13 34.0183 0.0000 . 1 . 9758 . . 109 VAL CB . 26718 1 395 . 1 1 109 109 VAL N N 15 122.0573 0.0000 . 1 . 9750 . . 109 VAL N . 26718 1 396 . 1 1 110 110 TYR H H 1 8.4050 0.0000 . 1 . 7309 . . 110 TYR H . 26718 1 397 . 1 1 110 110 TYR CA C 13 55.8444 0.0000 . 1 . 8089 . . 110 TYR CA . 26718 1 398 . 1 1 110 110 TYR CB C 13 39.6480 0.0000 . 1 . 8178 . . 110 TYR CB . 26718 1 399 . 1 1 110 110 TYR N N 15 129.9312 0.0000 . 1 . 7310 . . 110 TYR N . 26718 1 400 . 1 1 111 111 LEU H H 1 7.9113 0.0000 . 1 . 4424 . . 111 LEU H . 26718 1 401 . 1 1 111 111 LEU CA C 13 52.4276 0.0000 . 1 . 4926 . . 111 LEU CA . 26718 1 402 . 1 1 111 111 LEU CB C 13 44.6635 0.0000 . 1 . 4929 . . 111 LEU CB . 26718 1 403 . 1 1 111 111 LEU N N 15 129.1863 0.0000 . 1 . 4426 . . 111 LEU N . 26718 1 404 . 1 1 112 112 ALA H H 1 8.4518 0.0000 . 1 . 6299 . . 112 ALA H . 26718 1 405 . 1 1 112 112 ALA CA C 13 50.3755 0.0000 . 1 . 6300 . . 112 ALA CA . 26718 1 406 . 1 1 112 112 ALA CB C 13 22.7154 0.0000 . 1 . 5043 . . 112 ALA CB . 26718 1 407 . 1 1 112 112 ALA N N 15 125.2125 0.0000 . 1 . 6301 . . 112 ALA N . 26718 1 408 . 1 1 113 113 TRP H H 1 8.2925 0.0000 . 1 . 4571 . . 113 TRP H . 26718 1 409 . 1 1 113 113 TRP CA C 13 54.8087 0.0000 . 1 . 5463 . . 113 TRP CA . 26718 1 410 . 1 1 113 113 TRP CB C 13 29.7846 0.0000 . 1 . 5484 . . 113 TRP CB . 26718 1 411 . 1 1 113 113 TRP N N 15 121.2445 0.0000 . 1 . 4573 . . 113 TRP N . 26718 1 412 . 1 1 114 114 VAL H H 1 7.7037 0.0000 . 1 . 4442 . . 114 VAL H . 26718 1 413 . 1 1 114 114 VAL CA C 13 58.0385 0.0000 . 1 . 8496 . . 114 VAL CA . 26718 1 414 . 1 1 114 114 VAL N N 15 125.8967 0.0000 . 1 . 4444 . . 114 VAL N . 26718 1 415 . 1 1 117 117 HIS CA C 13 56.1435 0.0000 . 1 . 4524 . . 117 HIS CA . 26718 1 416 . 1 1 117 117 HIS CB C 13 29.9204 0.0000 . 1 . 9856 . . 117 HIS CB . 26718 1 417 . 1 1 118 118 LYS H H 1 8.0888 0.0000 . 1 . 6410 . . 118 LYS H . 26718 1 418 . 1 1 118 118 LYS CA C 13 55.7909 0.0000 . 1 . 5331 . . 118 LYS CA . 26718 1 419 . 1 1 118 118 LYS CB C 13 32.0373 0.0000 . 1 . 5364 . . 118 LYS CB . 26718 1 420 . 1 1 118 118 LYS N N 15 121.9777 0.0000 . 1 . 6412 . . 118 LYS N . 26718 1 421 . 1 1 119 119 GLY H H 1 8.3285 0.0000 . 1 . 6131 . . 119 GLY H . 26718 1 422 . 1 1 119 119 GLY CA C 13 45.1267 0.0000 . 1 . 6132 . . 119 GLY CA . 26718 1 423 . 1 1 119 119 GLY N N 15 110.4860 0.0000 . 1 . 6133 . . 119 GLY N . 26718 1 424 . 1 1 120 120 ILE H H 1 7.8972 0.0000 . 1 . 6548 . . 120 ILE H . 26718 1 425 . 1 1 120 120 ILE CA C 13 60.8312 0.0000 . 1 . 5622 . . 120 ILE CA . 26718 1 426 . 1 1 120 120 ILE CB C 13 37.6322 0.0000 . 1 . 5640 . . 120 ILE CB . 26718 1 427 . 1 1 120 120 ILE N N 15 120.4346 0.0000 . 1 . 6550 . . 120 ILE N . 26718 1 428 . 1 1 121 121 GLY H H 1 8.4243 0.0000 . 1 . 7244 . . 121 GLY H . 26718 1 429 . 1 1 121 121 GLY CA C 13 45.1434 0.0000 . 1 . 6759 . . 121 GLY CA . 26718 1 430 . 1 1 121 121 GLY N N 15 113.4108 0.0000 . 1 . 7246 . . 121 GLY N . 26718 1 431 . 1 1 122 122 GLY H H 1 8.1418 0.0000 . 1 . 6797 . . 122 GLY H . 26718 1 432 . 1 1 122 122 GLY CA C 13 44.8706 0.0000 . 1 . 6171 . . 122 GLY CA . 26718 1 433 . 1 1 122 122 GLY N N 15 109.3442 0.0000 . 1 . 6799 . . 122 GLY N . 26718 1 434 . 1 1 123 123 ASN H H 1 8.3016 0.0000 . 1 . 6578 . . 123 ASN H . 26718 1 435 . 1 1 123 123 ASN CA C 13 53.1859 0.0000 . 1 . 6579 . . 123 ASN CA . 26718 1 436 . 1 1 123 123 ASN CB C 13 38.4460 0.0000 . 1 . 5730 . . 123 ASN CB . 26718 1 437 . 1 1 123 123 ASN N N 15 119.4146 0.0000 . 1 . 6580 . . 123 ASN N . 26718 1 438 . 1 1 124 124 GLU H H 1 8.4410 0.0000 . 1 . 6971 . . 124 GLU H . 26718 1 439 . 1 1 124 124 GLU CA C 13 57.0380 0.0000 . 1 . 6435 . . 124 GLU CA . 26718 1 440 . 1 1 124 124 GLU CB C 13 29.0281 0.0000 . 1 . 5406 . . 124 GLU CB . 26718 1 441 . 1 1 124 124 GLU N N 15 121.8188 0.0000 . 1 . 6973 . . 124 GLU N . 26718 1 442 . 1 1 125 125 GLN H H 1 8.1996 0.0000 . 1 . 7037 . . 125 GLN H . 26718 1 443 . 1 1 125 125 GLN CA C 13 56.0071 0.0000 . 1 . 14739 . . 125 GLN CA . 26718 1 444 . 1 1 125 125 GLN CB C 13 28.1557 0.0000 . 1 . 14743 . . 125 GLN CB . 26718 1 445 . 1 1 125 125 GLN N N 15 120.7051 0.0000 . 1 . 7039 . . 125 GLN N . 26718 1 446 . 1 1 126 126 VAL H H 1 7.9445 0.0000 . 1 . 14805 . . 126 VAL H . 26718 1 447 . 1 1 126 126 VAL CA C 13 62.9608 0.0000 . 1 . 14821 . . 126 VAL CA . 26718 1 448 . 1 1 126 126 VAL CB C 13 31.5554 0.0000 . 1 . 14812 . . 126 VAL CB . 26718 1 449 . 1 1 126 126 VAL N N 15 121.1040 0.0000 . 1 . 14807 . . 126 VAL N . 26718 1 450 . 1 1 127 127 ASP CA C 13 54.8419 0.0000 . 1 . 14832 . . 127 ASP CA . 26718 1 451 . 1 1 127 127 ASP CB C 13 40.4772 0.0000 . 1 . 14860 . . 127 ASP CB . 26718 1 452 . 1 1 128 128 LYS H H 1 7.9156 0.0000 . 1 . 14831 . . 128 LYS H . 26718 1 453 . 1 1 128 128 LYS CA C 13 56.8834 0.0000 . 1 . 15191 . . 128 LYS CA . 26718 1 454 . 1 1 128 128 LYS CB C 13 31.6900 0.0000 . 1 . 15227 . . 128 LYS CB . 26718 1 455 . 1 1 128 128 LYS N N 15 121.2974 0.0000 . 1 . 14833 . . 128 LYS N . 26718 1 456 . 1 1 129 129 LEU H H 1 7.9252 0.0000 . 1 . 15291 . . 129 LEU H . 26718 1 457 . 1 1 129 129 LEU CA C 13 55.7861 0.0000 . 1 . 15303 . . 129 LEU CA . 26718 1 458 . 1 1 129 129 LEU CB C 13 41.1504 0.0000 . 1 . 15300 . . 129 LEU CB . 26718 1 459 . 1 1 129 129 LEU N N 15 121.6785 0.0000 . 1 . 15293 . . 129 LEU N . 26718 1 460 . 1 1 132 132 ALA CA C 13 52.5460 0.0000 . 1 . 15039 . . 132 ALA CA . 26718 1 461 . 1 1 133 133 GLY H H 1 8.1416 0.0000 . 1 . 4811 . . 133 GLY H . 26718 1 462 . 1 1 133 133 GLY CA C 13 44.9829 0.0000 . 1 . 6195 . . 133 GLY CA . 26718 1 463 . 1 1 133 133 GLY N N 15 108.2202 0.0000 . 1 . 4813 . . 133 GLY N . 26718 1 464 . 1 1 134 134 ILE H H 1 7.7892 0.0000 . 1 . 5618 . . 134 ILE H . 26718 1 465 . 1 1 134 134 ILE CA C 13 60.6785 0.0000 . 1 . 6522 . . 134 ILE CA . 26718 1 466 . 1 1 134 134 ILE CB C 13 37.7027 0.0000 . 1 . 5604 . . 134 ILE CB . 26718 1 467 . 1 1 134 134 ILE N N 15 120.6933 0.0000 . 1 . 5620 . . 134 ILE N . 26718 1 468 . 1 1 135 135 ARG H H 1 8.1454 0.0000 . 1 . 4466 . . 135 ARG H . 26718 1 469 . 1 1 135 135 ARG CA C 13 55.3515 0.0000 . 1 . 5094 . . 135 ARG CA . 26718 1 470 . 1 1 135 135 ARG CB C 13 30.0220 0.0000 . 1 . 5112 . . 135 ARG CB . 26718 1 471 . 1 1 135 135 ARG N N 15 124.2151 0.0000 . 1 . 4468 . . 135 ARG N . 26718 1 472 . 1 1 136 136 LYS H H 1 8.2061 0.0000 . 1 . 5081 . . 136 LYS H . 26718 1 473 . 1 1 136 136 LYS CA C 13 55.8873 0.0000 . 1 . 6327 . . 136 LYS CA . 26718 1 474 . 1 1 136 136 LYS CB C 13 32.2293 0.0000 . 1 . 5106 . . 136 LYS CB . 26718 1 475 . 1 1 136 136 LYS N N 15 124.1366 0.0000 . 1 . 5083 . . 136 LYS N . 26718 1 476 . 1 1 137 137 VAL H H 1 8.0961 0.0000 . 1 . 5177 . . 137 VAL H . 26718 1 477 . 1 1 137 137 VAL CA C 13 61.8337 0.0000 . 1 . 5184 . . 137 VAL CA . 26718 1 478 . 1 1 137 137 VAL CB C 13 31.9067 0.0000 . 1 . 5202 . . 137 VAL CB . 26718 1 479 . 1 1 137 137 VAL N N 15 123.1820 0.0000 . 1 . 5179 . . 137 VAL N . 26718 1 480 . 1 1 138 138 LEU H H 1 7.7662 0.0000 . 1 . 6842 . . 138 LEU H . 26718 1 481 . 1 1 138 138 LEU CA C 13 56.3379 0.0000 . 1 . 7926 . . 138 LEU CA . 26718 1 482 . 1 1 138 138 LEU CB C 13 42.3310 0.0000 . 1 . 7918 . . 138 LEU CB . 26718 1 483 . 1 1 138 138 LEU N N 15 131.6854 0.0000 . 1 . 6844 . . 138 LEU N . 26718 1 stop_ save_