data_27217 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27217 _Entry.Title ; Backbone Chemical Shift Assignments for the S99T/C115S Mutant of Human Cyclophilin A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-14 _Entry.Accession_date 2017-08-14 _Entry.Last_release_date 2017-08-14 _Entry.Original_release_date 2017-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Renee Otten . . . . 27217 2 Dorothee Kern . . . . 27217 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27217 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 27217 '15N chemical shifts' 316 27217 '1H chemical shifts' 316 27217 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 . . 2018-04-18 . original BMRB . 27217 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27218 'S99T/C115S/I97V Mutant of Human Cyclophilin A' 27217 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27217 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29615624 _Citation.Full_citation . _Citation.Title ; Rescue of Conformational Dynamics in Enzyme Catalysis by Directed Evolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1314 _Citation.Page_last 1314 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Renee Otten . . . . 27217 1 2 Lin Liu . . . . 27217 1 3 Lillian Kenner . R. . . 27217 1 4 Michael Clarkson . W. . . 27217 1 5 David Mavor . . . . 27217 1 6 Dan Tawfik . S. . . 27217 1 7 Dorothee Kern . . . . 27217 1 8 James Fraser . S. . . 27217 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27217 _Assembly.ID 1 _Assembly.Name 'cyclophilin A S99T/C115S' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18010.4 _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 'cyclophilin A S99T/C115S' 1 $CypA A . yes native no no . . . 27217 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CypA _Entity.Sf_category entity _Entity.Sf_framecode CypA _Entity.Entry_ID 27217 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CypA _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 ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILTM ANAGPNTNGSQFFISTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'S99T ; C115S' _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 . MET . 27217 1 2 . VAL . 27217 1 3 . ASN . 27217 1 4 . PRO . 27217 1 5 . THR . 27217 1 6 . VAL . 27217 1 7 . PHE . 27217 1 8 . PHE . 27217 1 9 . ASP . 27217 1 10 . ILE . 27217 1 11 . ALA . 27217 1 12 . VAL . 27217 1 13 . ASP . 27217 1 14 . GLY . 27217 1 15 . GLU . 27217 1 16 . PRO . 27217 1 17 . LEU . 27217 1 18 . GLY . 27217 1 19 . ARG . 27217 1 20 . VAL . 27217 1 21 . SER . 27217 1 22 . PHE . 27217 1 23 . GLU . 27217 1 24 . LEU . 27217 1 25 . PHE . 27217 1 26 . ALA . 27217 1 27 . ASP . 27217 1 28 . LYS . 27217 1 29 . VAL . 27217 1 30 . PRO . 27217 1 31 . LYS . 27217 1 32 . THR . 27217 1 33 . ALA . 27217 1 34 . GLU . 27217 1 35 . ASN . 27217 1 36 . PHE . 27217 1 37 . ARG . 27217 1 38 . ALA . 27217 1 39 . LEU . 27217 1 40 . SER . 27217 1 41 . THR . 27217 1 42 . GLY . 27217 1 43 . GLU . 27217 1 44 . LYS . 27217 1 45 . GLY . 27217 1 46 . PHE . 27217 1 47 . GLY . 27217 1 48 . TYR . 27217 1 49 . LYS . 27217 1 50 . GLY . 27217 1 51 . SER . 27217 1 52 . CYS . 27217 1 53 . PHE . 27217 1 54 . HIS . 27217 1 55 . ARG . 27217 1 56 . ILE . 27217 1 57 . ILE . 27217 1 58 . PRO . 27217 1 59 . GLY . 27217 1 60 . PHE . 27217 1 61 . MET . 27217 1 62 . CYS . 27217 1 63 . GLN . 27217 1 64 . GLY . 27217 1 65 . GLY . 27217 1 66 . ASP . 27217 1 67 . PHE . 27217 1 68 . THR . 27217 1 69 . ARG . 27217 1 70 . HIS . 27217 1 71 . ASN . 27217 1 72 . GLY . 27217 1 73 . THR . 27217 1 74 . GLY . 27217 1 75 . GLY . 27217 1 76 . LYS . 27217 1 77 . SER . 27217 1 78 . ILE . 27217 1 79 . TYR . 27217 1 80 . GLY . 27217 1 81 . GLU . 27217 1 82 . LYS . 27217 1 83 . PHE . 27217 1 84 . GLU . 27217 1 85 . ASP . 27217 1 86 . GLU . 27217 1 87 . ASN . 27217 1 88 . PHE . 27217 1 89 . ILE . 27217 1 90 . LEU . 27217 1 91 . LYS . 27217 1 92 . HIS . 27217 1 93 . THR . 27217 1 94 . GLY . 27217 1 95 . PRO . 27217 1 96 . GLY . 27217 1 97 . ILE . 27217 1 98 . LEU . 27217 1 99 . THR . 27217 1 100 . MET . 27217 1 101 . ALA . 27217 1 102 . ASN . 27217 1 103 . ALA . 27217 1 104 . GLY . 27217 1 105 . PRO . 27217 1 106 . ASN . 27217 1 107 . THR . 27217 1 108 . ASN . 27217 1 109 . GLY . 27217 1 110 . SER . 27217 1 111 . GLN . 27217 1 112 . PHE . 27217 1 113 . PHE . 27217 1 114 . ILE . 27217 1 115 . SER . 27217 1 116 . THR . 27217 1 117 . ALA . 27217 1 118 . LYS . 27217 1 119 . THR . 27217 1 120 . GLU . 27217 1 121 . TRP . 27217 1 122 . LEU . 27217 1 123 . ASP . 27217 1 124 . GLY . 27217 1 125 . LYS . 27217 1 126 . HIS . 27217 1 127 . VAL . 27217 1 128 . VAL . 27217 1 129 . PHE . 27217 1 130 . GLY . 27217 1 131 . LYS . 27217 1 132 . VAL . 27217 1 133 . LYS . 27217 1 134 . GLU . 27217 1 135 . GLY . 27217 1 136 . MET . 27217 1 137 . ASN . 27217 1 138 . ILE . 27217 1 139 . VAL . 27217 1 140 . GLU . 27217 1 141 . ALA . 27217 1 142 . MET . 27217 1 143 . GLU . 27217 1 144 . ARG . 27217 1 145 . PHE . 27217 1 146 . GLY . 27217 1 147 . SER . 27217 1 148 . ARG . 27217 1 149 . ASN . 27217 1 150 . GLY . 27217 1 151 . LYS . 27217 1 152 . THR . 27217 1 153 . SER . 27217 1 154 . LYS . 27217 1 155 . LYS . 27217 1 156 . ILE . 27217 1 157 . THR . 27217 1 158 . ILE . 27217 1 159 . ALA . 27217 1 160 . ASP . 27217 1 161 . CYS . 27217 1 162 . GLY . 27217 1 163 . GLN . 27217 1 164 . LEU . 27217 1 165 . GLU . 27217 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 27217 1 . VAL 2 2 27217 1 . ASN 3 3 27217 1 . PRO 4 4 27217 1 . THR 5 5 27217 1 . VAL 6 6 27217 1 . PHE 7 7 27217 1 . PHE 8 8 27217 1 . ASP 9 9 27217 1 . ILE 10 10 27217 1 . ALA 11 11 27217 1 . VAL 12 12 27217 1 . ASP 13 13 27217 1 . GLY 14 14 27217 1 . GLU 15 15 27217 1 . PRO 16 16 27217 1 . LEU 17 17 27217 1 . GLY 18 18 27217 1 . ARG 19 19 27217 1 . VAL 20 20 27217 1 . SER 21 21 27217 1 . PHE 22 22 27217 1 . GLU 23 23 27217 1 . LEU 24 24 27217 1 . PHE 25 25 27217 1 . ALA 26 26 27217 1 . ASP 27 27 27217 1 . LYS 28 28 27217 1 . VAL 29 29 27217 1 . PRO 30 30 27217 1 . LYS 31 31 27217 1 . THR 32 32 27217 1 . ALA 33 33 27217 1 . GLU 34 34 27217 1 . ASN 35 35 27217 1 . PHE 36 36 27217 1 . ARG 37 37 27217 1 . ALA 38 38 27217 1 . LEU 39 39 27217 1 . SER 40 40 27217 1 . THR 41 41 27217 1 . GLY 42 42 27217 1 . GLU 43 43 27217 1 . LYS 44 44 27217 1 . GLY 45 45 27217 1 . PHE 46 46 27217 1 . GLY 47 47 27217 1 . TYR 48 48 27217 1 . LYS 49 49 27217 1 . GLY 50 50 27217 1 . SER 51 51 27217 1 . CYS 52 52 27217 1 . PHE 53 53 27217 1 . HIS 54 54 27217 1 . ARG 55 55 27217 1 . ILE 56 56 27217 1 . ILE 57 57 27217 1 . PRO 58 58 27217 1 . GLY 59 59 27217 1 . PHE 60 60 27217 1 . MET 61 61 27217 1 . CYS 62 62 27217 1 . GLN 63 63 27217 1 . GLY 64 64 27217 1 . GLY 65 65 27217 1 . ASP 66 66 27217 1 . PHE 67 67 27217 1 . THR 68 68 27217 1 . ARG 69 69 27217 1 . HIS 70 70 27217 1 . ASN 71 71 27217 1 . GLY 72 72 27217 1 . THR 73 73 27217 1 . GLY 74 74 27217 1 . GLY 75 75 27217 1 . LYS 76 76 27217 1 . SER 77 77 27217 1 . ILE 78 78 27217 1 . TYR 79 79 27217 1 . GLY 80 80 27217 1 . GLU 81 81 27217 1 . LYS 82 82 27217 1 . PHE 83 83 27217 1 . GLU 84 84 27217 1 . ASP 85 85 27217 1 . GLU 86 86 27217 1 . ASN 87 87 27217 1 . PHE 88 88 27217 1 . ILE 89 89 27217 1 . LEU 90 90 27217 1 . LYS 91 91 27217 1 . HIS 92 92 27217 1 . THR 93 93 27217 1 . GLY 94 94 27217 1 . PRO 95 95 27217 1 . GLY 96 96 27217 1 . ILE 97 97 27217 1 . LEU 98 98 27217 1 . THR 99 99 27217 1 . MET 100 100 27217 1 . ALA 101 101 27217 1 . ASN 102 102 27217 1 . ALA 103 103 27217 1 . GLY 104 104 27217 1 . PRO 105 105 27217 1 . ASN 106 106 27217 1 . THR 107 107 27217 1 . ASN 108 108 27217 1 . GLY 109 109 27217 1 . SER 110 110 27217 1 . GLN 111 111 27217 1 . PHE 112 112 27217 1 . PHE 113 113 27217 1 . ILE 114 114 27217 1 . SER 115 115 27217 1 . THR 116 116 27217 1 . ALA 117 117 27217 1 . LYS 118 118 27217 1 . THR 119 119 27217 1 . GLU 120 120 27217 1 . TRP 121 121 27217 1 . LEU 122 122 27217 1 . ASP 123 123 27217 1 . GLY 124 124 27217 1 . LYS 125 125 27217 1 . HIS 126 126 27217 1 . VAL 127 127 27217 1 . VAL 128 128 27217 1 . PHE 129 129 27217 1 . GLY 130 130 27217 1 . LYS 131 131 27217 1 . VAL 132 132 27217 1 . LYS 133 133 27217 1 . GLU 134 134 27217 1 . GLY 135 135 27217 1 . MET 136 136 27217 1 . ASN 137 137 27217 1 . ILE 138 138 27217 1 . VAL 139 139 27217 1 . GLU 140 140 27217 1 . ALA 141 141 27217 1 . MET 142 142 27217 1 . GLU 143 143 27217 1 . ARG 144 144 27217 1 . PHE 145 145 27217 1 . GLY 146 146 27217 1 . SER 147 147 27217 1 . ARG 148 148 27217 1 . ASN 149 149 27217 1 . GLY 150 150 27217 1 . LYS 151 151 27217 1 . THR 152 152 27217 1 . SER 153 153 27217 1 . LYS 154 154 27217 1 . LYS 155 155 27217 1 . ILE 156 156 27217 1 . THR 157 157 27217 1 . ILE 158 158 27217 1 . ALA 159 159 27217 1 . ASP 160 160 27217 1 . CYS 161 161 27217 1 . GLY 162 162 27217 1 . GLN 163 163 27217 1 . LEU 164 164 27217 1 . GLU 165 165 27217 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 27217 _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 $CypA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27217 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 27217 _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 $CypA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET15 . . . 27217 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27217 _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 'CypA S99T/C115S' '[U-13C; U-15N]' . . 1 $CypA . . 1 . . mM . . . . 27217 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27217 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27217 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27217 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27217 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27217 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 27217 _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' 0.05 . M 27217 1 pH 6.5 . pH 27217 1 pressure 1 . atm 27217 1 temperature 298 . K 27217 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27217 _Sample_condition_list.ID 2 _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' 0.05 . M 27217 2 pH 6.5 . pH 27217 2 pressure 1 . atm 27217 2 temperature 283 . K 27217 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27217 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27217 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27217 1 stop_ save_ save_NMRFAM-SPARKY _Software.Sf_category software _Software.Sf_framecode NMRFAM-SPARKY _Software.Entry_ID 27217 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27217 2 'Lee, Tonelli, Markley' . http://www.nmrfam.wisc.edu/nmrfam-sparky-distribution.htm 27217 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27217 2 'peak picking' 27217 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 27217 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _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 27217 _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 Agilent DD2 . 600 . . . 27217 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 27217 _Experiment_list.ID 1 _Experiment_list.Details 'TROSY-versions of the listed experiments were used.' 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 . . . . . . . . . . . . . . . . 27217 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27217 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27217 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27217 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 27217 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 27217 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000000 . . . . . 27217 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 27217 1 stop_ save_ save_chemical_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_2 _Chem_shift_reference.Entry_ID 27217 _Chem_shift_reference.ID 2 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.911 internal direct 1.000000000 . . . . . 27217 2 N 15 water protons . . . . ppm 4.911 internal indirect 0.101329118 . . . . . 27217 2 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 27217 _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 'TROSY offset: amide protons and nitrogens.' _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' . . . 27217 1 2 '3D HNCACB' . . . 27217 1 3 '3D CBCA(CO)NH' . . . 27217 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL CA C 13 61.629 0.00 . 1 . . . . . 2 VAL CA . 27217 1 2 . 1 1 2 2 VAL CB C 13 33.294 0.04 . 1 . . . . . 2 VAL CB . 27217 1 3 . 1 1 3 3 ASN H H 1 8.606 0.00 . 1 . . . . . 3 ASN H . 27217 1 4 . 1 1 3 3 ASN CA C 13 51.169 0.00 . 1 . . . . . 3 ASN CA . 27217 1 5 . 1 1 3 3 ASN CB C 13 37.926 0.00 . 1 . . . . . 3 ASN CB . 27217 1 6 . 1 1 3 3 ASN N N 15 127.633 0.02 . 1 . . . . . 3 ASN N . 27217 1 7 . 1 1 4 4 PRO CA C 13 62.767 0.01 . 1 . . . . . 4 PRO CA . 27217 1 8 . 1 1 4 4 PRO CB C 13 33.210 0.03 . 1 . . . . . 4 PRO CB . 27217 1 9 . 1 1 5 5 THR H H 1 8.702 0.00 . 1 . . . . . 5 THR H . 27217 1 10 . 1 1 5 5 THR CA C 13 60.747 0.01 . 1 . . . . . 5 THR CA . 27217 1 11 . 1 1 5 5 THR CB C 13 70.906 0.02 . 1 . . . . . 5 THR CB . 27217 1 12 . 1 1 5 5 THR N N 15 115.960 0.01 . 1 . . . . . 5 THR N . 27217 1 13 . 1 1 6 6 VAL H H 1 8.699 0.00 . 1 . . . . . 6 VAL H . 27217 1 14 . 1 1 6 6 VAL CA C 13 58.792 0.01 . 1 . . . . . 6 VAL CA . 27217 1 15 . 1 1 6 6 VAL CB C 13 36.243 0.02 . 1 . . . . . 6 VAL CB . 27217 1 16 . 1 1 6 6 VAL N N 15 121.063 0.02 . 1 . . . . . 6 VAL N . 27217 1 17 . 1 1 7 7 PHE H H 1 8.877 0.00 . 1 . . . . . 7 PHE H . 27217 1 18 . 1 1 7 7 PHE CA C 13 55.721 0.01 . 1 . . . . . 7 PHE CA . 27217 1 19 . 1 1 7 7 PHE CB C 13 43.081 0.02 . 1 . . . . . 7 PHE CB . 27217 1 20 . 1 1 7 7 PHE N N 15 119.917 0.02 . 1 . . . . . 7 PHE N . 27217 1 21 . 1 1 8 8 PHE H H 1 9.459 0.00 . 1 . . . . . 8 PHE H . 27217 1 22 . 1 1 8 8 PHE CA C 13 53.410 0.01 . 1 . . . . . 8 PHE CA . 27217 1 23 . 1 1 8 8 PHE CB C 13 42.901 0.01 . 1 . . . . . 8 PHE CB . 27217 1 24 . 1 1 8 8 PHE N N 15 117.711 0.01 . 1 . . . . . 8 PHE N . 27217 1 25 . 1 1 9 9 ASP H H 1 9.208 0.00 . 1 . . . . . 9 ASP H . 27217 1 26 . 1 1 9 9 ASP CA C 13 54.771 0.01 . 1 . . . . . 9 ASP CA . 27217 1 27 . 1 1 9 9 ASP CB C 13 41.322 0.04 . 1 . . . . . 9 ASP CB . 27217 1 28 . 1 1 9 9 ASP N N 15 125.087 0.02 . 1 . . . . . 9 ASP N . 27217 1 29 . 1 1 10 10 ILE H H 1 8.950 0.00 . 1 . . . . . 10 ILE H . 27217 1 30 . 1 1 10 10 ILE CA C 13 58.168 0.01 . 1 . . . . . 10 ILE CA . 27217 1 31 . 1 1 10 10 ILE CB C 13 37.618 0.01 . 1 . . . . . 10 ILE CB . 27217 1 32 . 1 1 10 10 ILE N N 15 125.184 0.01 . 1 . . . . . 10 ILE N . 27217 1 33 . 1 1 11 11 ALA H H 1 9.531 0.00 . 1 . . . . . 11 ALA H . 27217 1 34 . 1 1 11 11 ALA CA C 13 50.766 0.02 . 1 . . . . . 11 ALA CA . 27217 1 35 . 1 1 11 11 ALA CB C 13 22.717 0.04 . 1 . . . . . 11 ALA CB . 27217 1 36 . 1 1 11 11 ALA N N 15 133.311 0.02 . 1 . . . . . 11 ALA N . 27217 1 37 . 1 1 12 12 VAL H H 1 8.873 0.00 . 1 . . . . . 12 VAL H . 27217 1 38 . 1 1 12 12 VAL CA C 13 60.472 0.01 . 1 . . . . . 12 VAL CA . 27217 1 39 . 1 1 12 12 VAL CB C 13 33.263 0.03 . 1 . . . . . 12 VAL CB . 27217 1 40 . 1 1 12 12 VAL N N 15 119.249 0.01 . 1 . . . . . 12 VAL N . 27217 1 41 . 1 1 13 13 ASP H H 1 9.777 0.00 . 1 . . . . . 13 ASP H . 27217 1 42 . 1 1 13 13 ASP CA C 13 55.763 0.03 . 1 . . . . . 13 ASP CA . 27217 1 43 . 1 1 13 13 ASP CB C 13 39.894 0.03 . 1 . . . . . 13 ASP CB . 27217 1 44 . 1 1 13 13 ASP N N 15 131.822 0.01 . 1 . . . . . 13 ASP N . 27217 1 45 . 1 1 14 14 GLY H H 1 8.470 0.00 . 1 . . . . . 14 GLY H . 27217 1 46 . 1 1 14 14 GLY CA C 13 45.305 0.03 . 1 . . . . . 14 GLY CA . 27217 1 47 . 1 1 14 14 GLY N N 15 102.508 0.02 . 1 . . . . . 14 GLY N . 27217 1 48 . 1 1 15 15 GLU H H 1 7.965 0.00 . 1 . . . . . 15 GLU H . 27217 1 49 . 1 1 15 15 GLU CA C 13 52.935 0.00 . 1 . . . . . 15 GLU CA . 27217 1 50 . 1 1 15 15 GLU CB C 13 30.437 0.00 . 1 . . . . . 15 GLU CB . 27217 1 51 . 1 1 15 15 GLU N N 15 124.092 0.01 . 1 . . . . . 15 GLU N . 27217 1 52 . 1 1 16 16 PRO CA C 13 64.684 0.01 . 1 . . . . . 16 PRO CA . 27217 1 53 . 1 1 16 16 PRO CB C 13 32.365 0.03 . 1 . . . . . 16 PRO CB . 27217 1 54 . 1 1 17 17 LEU H H 1 9.116 0.00 . 1 . . . . . 17 LEU H . 27217 1 55 . 1 1 17 17 LEU CA C 13 55.529 0.01 . 1 . . . . . 17 LEU CA . 27217 1 56 . 1 1 17 17 LEU CB C 13 44.151 0.02 . 1 . . . . . 17 LEU CB . 27217 1 57 . 1 1 17 17 LEU N N 15 126.900 0.01 . 1 . . . . . 17 LEU N . 27217 1 58 . 1 1 18 18 GLY H H 1 7.170 0.00 . 1 . . . . . 18 GLY H . 27217 1 59 . 1 1 18 18 GLY CA C 13 45.194 0.02 . 1 . . . . . 18 GLY CA . 27217 1 60 . 1 1 18 18 GLY N N 15 103.330 0.02 . 1 . . . . . 18 GLY N . 27217 1 61 . 1 1 19 19 ARG H H 1 8.266 0.00 . 1 . . . . . 19 ARG H . 27217 1 62 . 1 1 19 19 ARG CA C 13 55.086 0.00 . 1 . . . . . 19 ARG CA . 27217 1 63 . 1 1 19 19 ARG CB C 13 33.474 0.02 . 1 . . . . . 19 ARG CB . 27217 1 64 . 1 1 19 19 ARG N N 15 121.994 0.01 . 1 . . . . . 19 ARG N . 27217 1 65 . 1 1 20 20 VAL H H 1 9.295 0.00 . 1 . . . . . 20 VAL H . 27217 1 66 . 1 1 20 20 VAL CA C 13 59.970 0.01 . 1 . . . . . 20 VAL CA . 27217 1 67 . 1 1 20 20 VAL CB C 13 34.879 0.02 . 1 . . . . . 20 VAL CB . 27217 1 68 . 1 1 20 20 VAL N N 15 127.807 0.02 . 1 . . . . . 20 VAL N . 27217 1 69 . 1 1 21 21 SER H H 1 8.675 0.00 . 1 . . . . . 21 SER H . 27217 1 70 . 1 1 21 21 SER CA C 13 55.495 0.01 . 1 . . . . . 21 SER CA . 27217 1 71 . 1 1 21 21 SER CB C 13 66.452 0.02 . 1 . . . . . 21 SER CB . 27217 1 72 . 1 1 21 21 SER N N 15 121.164 0.02 . 1 . . . . . 21 SER N . 27217 1 73 . 1 1 22 22 PHE H H 1 9.468 0.00 . 1 . . . . . 22 PHE H . 27217 1 74 . 1 1 22 22 PHE CA C 13 55.739 0.00 . 1 . . . . . 22 PHE CA . 27217 1 75 . 1 1 22 22 PHE CB C 13 42.688 0.02 . 1 . . . . . 22 PHE CB . 27217 1 76 . 1 1 22 22 PHE N N 15 120.131 0.01 . 1 . . . . . 22 PHE N . 27217 1 77 . 1 1 23 23 GLU H H 1 8.668 0.00 . 1 . . . . . 23 GLU H . 27217 1 78 . 1 1 23 23 GLU CA C 13 55.008 0.01 . 1 . . . . . 23 GLU CA . 27217 1 79 . 1 1 23 23 GLU CB C 13 31.853 0.06 . 1 . . . . . 23 GLU CB . 27217 1 80 . 1 1 23 23 GLU N N 15 123.972 0.02 . 1 . . . . . 23 GLU N . 27217 1 81 . 1 1 24 24 LEU H H 1 8.137 0.00 . 1 . . . . . 24 LEU H . 27217 1 82 . 1 1 24 24 LEU CA C 13 51.715 0.02 . 1 . . . . . 24 LEU CA . 27217 1 83 . 1 1 24 24 LEU CB C 13 43.223 0.02 . 1 . . . . . 24 LEU CB . 27217 1 84 . 1 1 24 24 LEU N N 15 123.393 0.01 . 1 . . . . . 24 LEU N . 27217 1 85 . 1 1 25 25 PHE H H 1 8.757 0.00 . 1 . . . . . 25 PHE H . 27217 1 86 . 1 1 25 25 PHE CA C 13 54.290 0.01 . 1 . . . . . 25 PHE CA . 27217 1 87 . 1 1 25 25 PHE CB C 13 36.062 0.01 . 1 . . . . . 25 PHE CB . 27217 1 88 . 1 1 25 25 PHE N N 15 125.405 0.02 . 1 . . . . . 25 PHE N . 27217 1 89 . 1 1 26 26 ALA H H 1 8.354 0.00 . 1 . . . . . 26 ALA H . 27217 1 90 . 1 1 26 26 ALA CA C 13 54.419 0.02 . 1 . . . . . 26 ALA CA . 27217 1 91 . 1 1 26 26 ALA CB C 13 18.876 0.04 . 1 . . . . . 26 ALA CB . 27217 1 92 . 1 1 26 26 ALA N N 15 129.917 0.02 . 1 . . . . . 26 ALA N . 27217 1 93 . 1 1 27 27 ASP H H 1 8.964 0.00 . 1 . . . . . 27 ASP H . 27217 1 94 . 1 1 27 27 ASP CA C 13 55.384 0.01 . 1 . . . . . 27 ASP CA . 27217 1 95 . 1 1 27 27 ASP CB C 13 39.005 0.03 . 1 . . . . . 27 ASP CB . 27217 1 96 . 1 1 27 27 ASP N N 15 115.114 0.01 . 1 . . . . . 27 ASP N . 27217 1 97 . 1 1 28 28 LYS H H 1 7.466 0.00 . 1 . . . . . 28 LYS H . 27217 1 98 . 1 1 28 28 LYS CA C 13 56.374 0.00 . 1 . . . . . 28 LYS CA . 27217 1 99 . 1 1 28 28 LYS CB C 13 36.136 0.03 . 1 . . . . . 28 LYS CB . 27217 1 100 . 1 1 28 28 LYS N N 15 118.938 0.02 . 1 . . . . . 28 LYS N . 27217 1 101 . 1 1 29 29 VAL H H 1 8.318 0.00 . 1 . . . . . 29 VAL H . 27217 1 102 . 1 1 29 29 VAL CA C 13 57.932 0.00 . 1 . . . . . 29 VAL CA . 27217 1 103 . 1 1 29 29 VAL CB C 13 31.966 0.00 . 1 . . . . . 29 VAL CB . 27217 1 104 . 1 1 29 29 VAL N N 15 115.453 0.04 . 1 . . . . . 29 VAL N . 27217 1 105 . 1 1 30 30 PRO CA C 13 66.139 0.02 . 1 . . . . . 30 PRO CA . 27217 1 106 . 1 1 30 30 PRO CB C 13 31.353 0.00 . 1 . . . . . 30 PRO CB . 27217 1 107 . 1 1 31 31 LYS H H 1 10.573 0.00 . 1 . . . . . 31 LYS H . 27217 1 108 . 1 1 31 31 LYS CA C 13 60.408 0.01 . 1 . . . . . 31 LYS CA . 27217 1 109 . 1 1 31 31 LYS CB C 13 32.460 0.05 . 1 . . . . . 31 LYS CB . 27217 1 110 . 1 1 31 31 LYS N N 15 124.514 0.01 . 1 . . . . . 31 LYS N . 27217 1 111 . 1 1 32 32 THR H H 1 10.197 0.00 . 1 . . . . . 32 THR H . 27217 1 112 . 1 1 32 32 THR CA C 13 67.440 0.03 . 1 . . . . . 32 THR CA . 27217 1 113 . 1 1 32 32 THR CB C 13 68.683 0.00 . 1 . . . . . 32 THR CB . 27217 1 114 . 1 1 32 32 THR N N 15 124.880 0.01 . 1 . . . . . 32 THR N . 27217 1 115 . 1 1 33 33 ALA H H 1 9.211 0.00 . 1 . . . . . 33 ALA H . 27217 1 116 . 1 1 33 33 ALA CA C 13 55.890 0.02 . 1 . . . . . 33 ALA CA . 27217 1 117 . 1 1 33 33 ALA CB C 13 18.349 0.04 . 1 . . . . . 33 ALA CB . 27217 1 118 . 1 1 33 33 ALA N N 15 126.420 0.03 . 1 . . . . . 33 ALA N . 27217 1 119 . 1 1 34 34 GLU H H 1 7.947 0.00 . 1 . . . . . 34 GLU H . 27217 1 120 . 1 1 34 34 GLU CA C 13 57.859 0.01 . 1 . . . . . 34 GLU CA . 27217 1 121 . 1 1 34 34 GLU CB C 13 28.125 0.05 . 1 . . . . . 34 GLU CB . 27217 1 122 . 1 1 34 34 GLU N N 15 118.092 0.01 . 1 . . . . . 34 GLU N . 27217 1 123 . 1 1 35 35 ASN H H 1 7.039 0.00 . 1 . . . . . 35 ASN H . 27217 1 124 . 1 1 35 35 ASN CA C 13 56.666 0.01 . 1 . . . . . 35 ASN CA . 27217 1 125 . 1 1 35 35 ASN CB C 13 39.567 0.02 . 1 . . . . . 35 ASN CB . 27217 1 126 . 1 1 35 35 ASN N N 15 116.413 0.02 . 1 . . . . . 35 ASN N . 27217 1 127 . 1 1 36 36 PHE H H 1 6.906 0.00 . 1 . . . . . 36 PHE H . 27217 1 128 . 1 1 36 36 PHE CA C 13 61.416 0.01 . 1 . . . . . 36 PHE CA . 27217 1 129 . 1 1 36 36 PHE CB C 13 40.200 0.05 . 1 . . . . . 36 PHE CB . 27217 1 130 . 1 1 36 36 PHE N N 15 118.623 0.01 . 1 . . . . . 36 PHE N . 27217 1 131 . 1 1 37 37 ARG H H 1 8.857 0.00 . 1 . . . . . 37 ARG H . 27217 1 132 . 1 1 37 37 ARG CA C 13 60.448 0.02 . 1 . . . . . 37 ARG CA . 27217 1 133 . 1 1 37 37 ARG CB C 13 30.001 0.03 . 1 . . . . . 37 ARG CB . 27217 1 134 . 1 1 37 37 ARG N N 15 121.938 0.01 . 1 . . . . . 37 ARG N . 27217 1 135 . 1 1 38 38 ALA H H 1 8.604 0.00 . 1 . . . . . 38 ALA H . 27217 1 136 . 1 1 38 38 ALA CA C 13 54.443 0.00 . 1 . . . . . 38 ALA CA . 27217 1 137 . 1 1 38 38 ALA CB C 13 18.347 0.03 . 1 . . . . . 38 ALA CB . 27217 1 138 . 1 1 38 38 ALA N N 15 119.898 0.02 . 1 . . . . . 38 ALA N . 27217 1 139 . 1 1 39 39 LEU H H 1 8.071 0.00 . 1 . . . . . 39 LEU H . 27217 1 140 . 1 1 39 39 LEU CA C 13 57.247 0.02 . 1 . . . . . 39 LEU CA . 27217 1 141 . 1 1 39 39 LEU CB C 13 40.979 0.03 . 1 . . . . . 39 LEU CB . 27217 1 142 . 1 1 39 39 LEU N N 15 121.610 0.02 . 1 . . . . . 39 LEU N . 27217 1 143 . 1 1 40 40 SER H H 1 7.823 0.00 . 1 . . . . . 40 SER H . 27217 1 144 . 1 1 40 40 SER CA C 13 62.453 0.00 . 1 . . . . . 40 SER CA . 27217 1 145 . 1 1 40 40 SER CB C 13 63.031 0.00 . 1 . . . . . 40 SER CB . 27217 1 146 . 1 1 40 40 SER N N 15 120.074 0.02 . 1 . . . . . 40 SER N . 27217 1 147 . 1 1 41 41 THR H H 1 7.898 0.00 . 1 . . . . . 41 THR H . 27217 1 148 . 1 1 41 41 THR CA C 13 62.823 0.01 . 1 . . . . . 41 THR CA . 27217 1 149 . 1 1 41 41 THR CB C 13 69.434 0.04 . 1 . . . . . 41 THR CB . 27217 1 150 . 1 1 41 41 THR N N 15 109.294 0.00 . 1 . . . . . 41 THR N . 27217 1 151 . 1 1 42 42 GLY H H 1 7.505 0.00 . 1 . . . . . 42 GLY H . 27217 1 152 . 1 1 42 42 GLY CA C 13 45.802 0.03 . 1 . . . . . 42 GLY CA . 27217 1 153 . 1 1 42 42 GLY N N 15 109.207 0.02 . 1 . . . . . 42 GLY N . 27217 1 154 . 1 1 43 43 GLU H H 1 7.935 0.00 . 1 . . . . . 43 GLU H . 27217 1 155 . 1 1 43 43 GLU CA C 13 58.521 0.01 . 1 . . . . . 43 GLU CA . 27217 1 156 . 1 1 43 43 GLU CB C 13 30.072 0.04 . 1 . . . . . 43 GLU CB . 27217 1 157 . 1 1 43 43 GLU N N 15 119.515 0.01 . 1 . . . . . 43 GLU N . 27217 1 158 . 1 1 44 44 LYS H H 1 9.029 0.00 . 1 . . . . . 44 LYS H . 27217 1 159 . 1 1 44 44 LYS CA C 13 54.302 0.01 . 1 . . . . . 44 LYS CA . 27217 1 160 . 1 1 44 44 LYS CB C 13 30.393 0.01 . 1 . . . . . 44 LYS CB . 27217 1 161 . 1 1 44 44 LYS N N 15 119.321 0.04 . 1 . . . . . 44 LYS N . 27217 1 162 . 1 1 45 45 GLY H H 1 7.858 0.00 . 1 . . . . . 45 GLY H . 27217 1 163 . 1 1 45 45 GLY CA C 13 44.678 0.04 . 1 . . . . . 45 GLY CA . 27217 1 164 . 1 1 45 45 GLY N N 15 106.397 0.01 . 1 . . . . . 45 GLY N . 27217 1 165 . 1 1 46 46 PHE H H 1 6.339 0.00 . 1 . . . . . 46 PHE H . 27217 1 166 . 1 1 46 46 PHE CA C 13 54.054 0.02 . 1 . . . . . 46 PHE CA . 27217 1 167 . 1 1 46 46 PHE CB C 13 39.594 0.02 . 1 . . . . . 46 PHE CB . 27217 1 168 . 1 1 46 46 PHE N N 15 114.531 0.02 . 1 . . . . . 46 PHE N . 27217 1 169 . 1 1 47 47 GLY H H 1 7.695 0.00 . 1 . . . . . 47 GLY H . 27217 1 170 . 1 1 47 47 GLY CA C 13 45.534 0.02 . 1 . . . . . 47 GLY CA . 27217 1 171 . 1 1 47 47 GLY N N 15 105.550 0.01 . 1 . . . . . 47 GLY N . 27217 1 172 . 1 1 48 48 TYR H H 1 6.837 0.00 . 1 . . . . . 48 TYR H . 27217 1 173 . 1 1 48 48 TYR CA C 13 57.072 0.01 . 1 . . . . . 48 TYR CA . 27217 1 174 . 1 1 48 48 TYR CB C 13 38.587 0.07 . 1 . . . . . 48 TYR CB . 27217 1 175 . 1 1 48 48 TYR N N 15 114.688 0.01 . 1 . . . . . 48 TYR N . 27217 1 176 . 1 1 49 49 LYS H H 1 8.420 0.00 . 1 . . . . . 49 LYS H . 27217 1 177 . 1 1 49 49 LYS CA C 13 61.165 0.01 . 1 . . . . . 49 LYS CA . 27217 1 178 . 1 1 49 49 LYS CB C 13 31.315 0.05 . 1 . . . . . 49 LYS CB . 27217 1 179 . 1 1 49 49 LYS N N 15 125.899 0.01 . 1 . . . . . 49 LYS N . 27217 1 180 . 1 1 50 50 GLY H H 1 9.368 0.00 . 1 . . . . . 50 GLY H . 27217 1 181 . 1 1 50 50 GLY CA C 13 45.278 0.03 . 1 . . . . . 50 GLY CA . 27217 1 182 . 1 1 50 50 GLY N N 15 118.714 0.02 . 1 . . . . . 50 GLY N . 27217 1 183 . 1 1 51 51 SER H H 1 8.269 0.00 . 1 . . . . . 51 SER H . 27217 1 184 . 1 1 51 51 SER CA C 13 58.914 0.01 . 1 . . . . . 51 SER CA . 27217 1 185 . 1 1 51 51 SER CB C 13 64.624 0.00 . 1 . . . . . 51 SER CB . 27217 1 186 . 1 1 51 51 SER N N 15 117.220 0.01 . 1 . . . . . 51 SER N . 27217 1 187 . 1 1 52 52 CYS H H 1 9.915 0.00 . 1 . . . . . 52 CYS H . 27217 1 188 . 1 1 52 52 CYS CA C 13 56.075 0.01 . 1 . . . . . 52 CYS CA . 27217 1 189 . 1 1 52 52 CYS CB C 13 32.036 0.03 . 1 . . . . . 52 CYS CB . 27217 1 190 . 1 1 52 52 CYS N N 15 116.001 0.02 . 1 . . . . . 52 CYS N . 27217 1 191 . 1 1 53 53 PHE H H 1 8.613 0.00 . 1 . . . . . 53 PHE H . 27217 1 192 . 1 1 53 53 PHE CA C 13 58.050 0.01 . 1 . . . . . 53 PHE CA . 27217 1 193 . 1 1 53 53 PHE CB C 13 38.745 0.03 . 1 . . . . . 53 PHE CB . 27217 1 194 . 1 1 53 53 PHE N N 15 124.209 0.02 . 1 . . . . . 53 PHE N . 27217 1 195 . 1 1 54 54 HIS H H 1 7.459 0.00 . 1 . . . . . 54 HIS H . 27217 1 196 . 1 1 54 54 HIS CA C 13 57.394 0.00 . 1 . . . . . 54 HIS CA . 27217 1 197 . 1 1 54 54 HIS CB C 13 31.411 0.05 . 1 . . . . . 54 HIS CB . 27217 1 198 . 1 1 54 54 HIS N N 15 120.963 0.04 . 1 . . . . . 54 HIS N . 27217 1 199 . 1 1 55 55 ARG H H 1 6.942 0.00 . 1 . . . . . 55 ARG H . 27217 1 200 . 1 1 55 55 ARG CA C 13 55.133 0.01 . 1 . . . . . 55 ARG CA . 27217 1 201 . 1 1 55 55 ARG CB C 13 34.133 0.03 . 1 . . . . . 55 ARG CB . 27217 1 202 . 1 1 55 55 ARG N N 15 123.246 0.01 . 1 . . . . . 55 ARG N . 27217 1 203 . 1 1 56 56 ILE H H 1 9.015 0.00 . 1 . . . . . 56 ILE H . 27217 1 204 . 1 1 56 56 ILE CA C 13 61.764 0.01 . 1 . . . . . 56 ILE CA . 27217 1 205 . 1 1 56 56 ILE CB C 13 42.056 0.03 . 1 . . . . . 56 ILE CB . 27217 1 206 . 1 1 56 56 ILE N N 15 126.517 0.02 . 1 . . . . . 56 ILE N . 27217 1 207 . 1 1 57 57 ILE H H 1 8.566 0.00 . 1 . . . . . 57 ILE H . 27217 1 208 . 1 1 57 57 ILE CA C 13 57.634 0.00 . 1 . . . . . 57 ILE CA . 27217 1 209 . 1 1 57 57 ILE CB C 13 40.144 0.00 . 1 . . . . . 57 ILE CB . 27217 1 210 . 1 1 57 57 ILE N N 15 128.652 0.01 . 1 . . . . . 57 ILE N . 27217 1 211 . 1 1 58 58 PRO CA C 13 62.978 0.00 . 1 . . . . . 58 PRO CA . 27217 1 212 . 1 1 58 58 PRO CB C 13 32.010 0.04 . 1 . . . . . 58 PRO CB . 27217 1 213 . 1 1 59 59 GLY H H 1 9.583 0.00 . 1 . . . . . 59 GLY H . 27217 1 214 . 1 1 59 59 GLY CA C 13 45.043 0.02 . 1 . . . . . 59 GLY CA . 27217 1 215 . 1 1 59 59 GLY N N 15 114.799 0.01 . 1 . . . . . 59 GLY N . 27217 1 216 . 1 1 60 60 PHE H H 1 8.102 0.00 . 1 . . . . . 60 PHE H . 27217 1 217 . 1 1 60 60 PHE CA C 13 57.032 0.01 . 1 . . . . . 60 PHE CA . 27217 1 218 . 1 1 60 60 PHE CB C 13 39.862 0.03 . 1 . . . . . 60 PHE CB . 27217 1 219 . 1 1 60 60 PHE N N 15 119.946 0.01 . 1 . . . . . 60 PHE N . 27217 1 220 . 1 1 61 61 MET H H 1 7.995 0.00 . 1 . . . . . 61 MET H . 27217 1 221 . 1 1 61 61 MET CA C 13 54.796 0.01 . 1 . . . . . 61 MET CA . 27217 1 222 . 1 1 61 61 MET CB C 13 34.474 0.04 . 1 . . . . . 61 MET CB . 27217 1 223 . 1 1 61 61 MET N N 15 112.483 0.03 . 1 . . . . . 61 MET N . 27217 1 224 . 1 1 62 62 CYS H H 1 8.311 0.00 . 1 . . . . . 62 CYS H . 27217 1 225 . 1 1 62 62 CYS CA C 13 57.784 0.01 . 1 . . . . . 62 CYS CA . 27217 1 226 . 1 1 62 62 CYS CB C 13 30.392 0.06 . 1 . . . . . 62 CYS CB . 27217 1 227 . 1 1 62 62 CYS N N 15 115.319 0.02 . 1 . . . . . 62 CYS N . 27217 1 228 . 1 1 63 63 GLN H H 1 9.413 0.00 . 1 . . . . . 63 GLN H . 27217 1 229 . 1 1 63 63 GLN CA C 13 54.494 0.02 . 1 . . . . . 63 GLN CA . 27217 1 230 . 1 1 63 63 GLN CB C 13 30.021 0.02 . 1 . . . . . 63 GLN CB . 27217 1 231 . 1 1 63 63 GLN N N 15 126.893 0.01 . 1 . . . . . 63 GLN N . 27217 1 232 . 1 1 64 64 GLY H H 1 7.175 0.00 . 1 . . . . . 64 GLY H . 27217 1 233 . 1 1 64 64 GLY CA C 13 44.217 0.03 . 1 . . . . . 64 GLY CA . 27217 1 234 . 1 1 64 64 GLY N N 15 111.372 0.02 . 1 . . . . . 64 GLY N . 27217 1 235 . 1 1 65 65 GLY H H 1 9.420 0.00 . 1 . . . . . 65 GLY H . 27217 1 236 . 1 1 65 65 GLY CA C 13 46.572 0.02 . 1 . . . . . 65 GLY CA . 27217 1 237 . 1 1 65 65 GLY N N 15 106.226 0.02 . 1 . . . . . 65 GLY N . 27217 1 238 . 1 1 66 66 ASP H H 1 9.860 0.00 . 1 . . . . . 66 ASP H . 27217 1 239 . 1 1 66 66 ASP CA C 13 51.654 0.04 . 1 . . . . . 66 ASP CA . 27217 1 240 . 1 1 66 66 ASP CB C 13 38.678 0.03 . 1 . . . . . 66 ASP CB . 27217 1 241 . 1 1 66 66 ASP N N 15 124.930 0.01 . 1 . . . . . 66 ASP N . 27217 1 242 . 1 1 67 67 PHE H H 1 6.588 0.00 . 1 . . . . . 67 PHE H . 27217 1 243 . 1 1 67 67 PHE CA C 13 56.053 0.02 . 1 . . . . . 67 PHE CA . 27217 1 244 . 1 1 67 67 PHE CB C 13 39.562 0.00 . 1 . . . . . 67 PHE CB . 27217 1 245 . 1 1 67 67 PHE N N 15 116.737 0.01 . 1 . . . . . 67 PHE N . 27217 1 246 . 1 1 68 68 THR H H 1 7.216 0.01 . 1 . . . . . 68 THR H . 27217 1 247 . 1 1 68 68 THR CA C 13 61.768 0.03 . 1 . . . . . 68 THR CA . 27217 1 248 . 1 1 68 68 THR CB C 13 68.874 0.02 . 1 . . . . . 68 THR CB . 27217 1 249 . 1 1 68 68 THR N N 15 109.714 0.02 . 1 . . . . . 68 THR N . 27217 1 250 . 1 1 69 69 ARG H H 1 8.580 0.00 . 1 . . . . . 69 ARG H . 27217 1 251 . 1 1 69 69 ARG CA C 13 55.136 0.00 . 1 . . . . . 69 ARG CA . 27217 1 252 . 1 1 69 69 ARG CB C 13 31.878 0.05 . 1 . . . . . 69 ARG CB . 27217 1 253 . 1 1 69 69 ARG N N 15 122.825 0.02 . 1 . . . . . 69 ARG N . 27217 1 254 . 1 1 70 70 HIS H H 1 6.534 0.00 . 1 . . . . . 70 HIS H . 27217 1 255 . 1 1 70 70 HIS CA C 13 57.273 0.00 . 1 . . . . . 70 HIS CA . 27217 1 256 . 1 1 70 70 HIS CB C 13 28.590 0.00 . 1 . . . . . 70 HIS CB . 27217 1 257 . 1 1 70 70 HIS N N 15 111.936 0.06 . 1 . . . . . 70 HIS N . 27217 1 258 . 1 1 71 71 ASN H H 1 7.409 0.00 . 1 . . . . . 71 ASN H . 27217 1 259 . 1 1 71 71 ASN CA C 13 52.431 0.04 . 1 . . . . . 71 ASN CA . 27217 1 260 . 1 1 71 71 ASN CB C 13 38.878 0.01 . 1 . . . . . 71 ASN CB . 27217 1 261 . 1 1 71 71 ASN N N 15 113.254 0.03 . 1 . . . . . 71 ASN N . 27217 1 262 . 1 1 72 72 GLY H H 1 9.598 0.00 . 1 . . . . . 72 GLY H . 27217 1 263 . 1 1 72 72 GLY CA C 13 44.900 0.04 . 1 . . . . . 72 GLY CA . 27217 1 264 . 1 1 72 72 GLY N N 15 111.470 0.02 . 1 . . . . . 72 GLY N . 27217 1 265 . 1 1 73 73 THR H H 1 7.858 0.00 . 1 . . . . . 73 THR H . 27217 1 266 . 1 1 73 73 THR CA C 13 62.320 0.00 . 1 . . . . . 73 THR CA . 27217 1 267 . 1 1 73 73 THR CB C 13 70.491 0.01 . 1 . . . . . 73 THR CB . 27217 1 268 . 1 1 73 73 THR N N 15 112.942 0.02 . 1 . . . . . 73 THR N . 27217 1 269 . 1 1 74 74 GLY H H 1 8.635 0.00 . 1 . . . . . 74 GLY H . 27217 1 270 . 1 1 74 74 GLY CA C 13 45.019 0.02 . 1 . . . . . 74 GLY CA . 27217 1 271 . 1 1 74 74 GLY N N 15 114.812 0.01 . 1 . . . . . 74 GLY N . 27217 1 272 . 1 1 75 75 GLY H H 1 8.027 0.00 . 1 . . . . . 75 GLY H . 27217 1 273 . 1 1 75 75 GLY CA C 13 43.124 0.04 . 1 . . . . . 75 GLY CA . 27217 1 274 . 1 1 75 75 GLY N N 15 109.784 0.02 . 1 . . . . . 75 GLY N . 27217 1 275 . 1 1 76 76 LYS H H 1 6.921 0.00 . 1 . . . . . 76 LYS H . 27217 1 276 . 1 1 76 76 LYS CA C 13 55.934 0.01 . 1 . . . . . 76 LYS CA . 27217 1 277 . 1 1 76 76 LYS CB C 13 34.513 0.01 . 1 . . . . . 76 LYS CB . 27217 1 278 . 1 1 76 76 LYS N N 15 116.302 0.02 . 1 . . . . . 76 LYS N . 27217 1 279 . 1 1 77 77 SER H H 1 7.664 0.00 . 1 . . . . . 77 SER H . 27217 1 280 . 1 1 77 77 SER CA C 13 57.036 0.03 . 1 . . . . . 77 SER CA . 27217 1 281 . 1 1 77 77 SER CB C 13 69.303 0.03 . 1 . . . . . 77 SER CB . 27217 1 282 . 1 1 77 77 SER N N 15 115.107 0.01 . 1 . . . . . 77 SER N . 27217 1 283 . 1 1 78 78 ILE H H 1 8.477 0.00 . 1 . . . . . 78 ILE H . 27217 1 284 . 1 1 78 78 ILE CA C 13 63.730 0.02 . 1 . . . . . 78 ILE CA . 27217 1 285 . 1 1 78 78 ILE CB C 13 37.384 0.03 . 1 . . . . . 78 ILE CB . 27217 1 286 . 1 1 78 78 ILE N N 15 112.137 0.03 . 1 . . . . . 78 ILE N . 27217 1 287 . 1 1 79 79 TYR H H 1 7.956 0.00 . 1 . . . . . 79 TYR H . 27217 1 288 . 1 1 79 79 TYR CA C 13 56.246 0.01 . 1 . . . . . 79 TYR CA . 27217 1 289 . 1 1 79 79 TYR CB C 13 38.795 0.03 . 1 . . . . . 79 TYR CB . 27217 1 290 . 1 1 79 79 TYR N N 15 121.631 0.02 . 1 . . . . . 79 TYR N . 27217 1 291 . 1 1 80 80 GLY H H 1 7.015 0.00 . 1 . . . . . 80 GLY H . 27217 1 292 . 1 1 80 80 GLY CA C 13 43.935 0.00 . 1 . . . . . 80 GLY CA . 27217 1 293 . 1 1 80 80 GLY N N 15 107.304 0.01 . 1 . . . . . 80 GLY N . 27217 1 294 . 1 1 81 81 GLU CA C 13 60.590 0.01 . 1 . . . . . 81 GLU CA . 27217 1 295 . 1 1 81 81 GLU CB C 13 30.190 0.02 . 1 . . . . . 81 GLU CB . 27217 1 296 . 1 1 82 82 LYS H H 1 7.757 0.00 . 1 . . . . . 82 LYS H . 27217 1 297 . 1 1 82 82 LYS CA C 13 53.820 0.01 . 1 . . . . . 82 LYS CA . 27217 1 298 . 1 1 82 82 LYS CB C 13 36.585 0.03 . 1 . . . . . 82 LYS CB . 27217 1 299 . 1 1 82 82 LYS N N 15 113.140 0.02 . 1 . . . . . 82 LYS N . 27217 1 300 . 1 1 83 83 PHE H H 1 9.073 0.00 . 1 . . . . . 83 PHE H . 27217 1 301 . 1 1 83 83 PHE CA C 13 55.957 0.00 . 1 . . . . . 83 PHE CA . 27217 1 302 . 1 1 83 83 PHE CB C 13 41.367 0.01 . 1 . . . . . 83 PHE CB . 27217 1 303 . 1 1 83 83 PHE N N 15 117.379 0.01 . 1 . . . . . 83 PHE N . 27217 1 304 . 1 1 84 84 GLU H H 1 9.181 0.00 . 1 . . . . . 84 GLU H . 27217 1 305 . 1 1 84 84 GLU CA C 13 56.389 0.02 . 1 . . . . . 84 GLU CA . 27217 1 306 . 1 1 84 84 GLU CB C 13 29.348 0.04 . 1 . . . . . 84 GLU CB . 27217 1 307 . 1 1 84 84 GLU N N 15 120.385 0.02 . 1 . . . . . 84 GLU N . 27217 1 308 . 1 1 85 85 ASP H H 1 8.516 0.00 . 1 . . . . . 85 ASP H . 27217 1 309 . 1 1 85 85 ASP CA C 13 54.314 0.02 . 1 . . . . . 85 ASP CA . 27217 1 310 . 1 1 85 85 ASP CB C 13 40.956 0.03 . 1 . . . . . 85 ASP CB . 27217 1 311 . 1 1 85 85 ASP N N 15 119.601 0.01 . 1 . . . . . 85 ASP N . 27217 1 312 . 1 1 86 86 GLU H H 1 9.377 0.00 . 1 . . . . . 86 GLU H . 27217 1 313 . 1 1 86 86 GLU CA C 13 60.314 0.04 . 1 . . . . . 86 GLU CA . 27217 1 314 . 1 1 86 86 GLU CB C 13 31.779 0.00 . 1 . . . . . 86 GLU CB . 27217 1 315 . 1 1 86 86 GLU N N 15 132.485 0.05 . 1 . . . . . 86 GLU N . 27217 1 316 . 1 1 87 87 ASN H H 1 6.955 0.00 . 1 . . . . . 87 ASN H . 27217 1 317 . 1 1 87 87 ASN CA C 13 52.791 0.02 . 1 . . . . . 87 ASN CA . 27217 1 318 . 1 1 87 87 ASN CB C 13 39.451 0.03 . 1 . . . . . 87 ASN CB . 27217 1 319 . 1 1 87 87 ASN N N 15 107.795 0.03 . 1 . . . . . 87 ASN N . 27217 1 320 . 1 1 88 88 PHE H H 1 8.246 0.00 . 1 . . . . . 88 PHE H . 27217 1 321 . 1 1 88 88 PHE CA C 13 55.778 0.02 . 1 . . . . . 88 PHE CA . 27217 1 322 . 1 1 88 88 PHE CB C 13 38.859 0.02 . 1 . . . . . 88 PHE CB . 27217 1 323 . 1 1 88 88 PHE N N 15 113.846 0.02 . 1 . . . . . 88 PHE N . 27217 1 324 . 1 1 89 89 ILE H H 1 8.202 0.00 . 1 . . . . . 89 ILE H . 27217 1 325 . 1 1 89 89 ILE CA C 13 64.907 0.00 . 1 . . . . . 89 ILE CA . 27217 1 326 . 1 1 89 89 ILE CB C 13 38.975 0.00 . 1 . . . . . 89 ILE CB . 27217 1 327 . 1 1 89 89 ILE N N 15 120.527 0.01 . 1 . . . . . 89 ILE N . 27217 1 328 . 1 1 90 90 LEU H H 1 7.562 0.00 . 1 . . . . . 90 LEU H . 27217 1 329 . 1 1 90 90 LEU CA C 13 54.145 0.02 . 1 . . . . . 90 LEU CA . 27217 1 330 . 1 1 90 90 LEU CB C 13 42.116 0.05 . 1 . . . . . 90 LEU CB . 27217 1 331 . 1 1 90 90 LEU N N 15 118.319 0.01 . 1 . . . . . 90 LEU N . 27217 1 332 . 1 1 91 91 LYS H H 1 8.082 0.00 . 1 . . . . . 91 LYS H . 27217 1 333 . 1 1 91 91 LYS CA C 13 54.334 0.02 . 1 . . . . . 91 LYS CA . 27217 1 334 . 1 1 91 91 LYS CB C 13 34.504 0.03 . 1 . . . . . 91 LYS CB . 27217 1 335 . 1 1 91 91 LYS N N 15 119.689 0.01 . 1 . . . . . 91 LYS N . 27217 1 336 . 1 1 92 92 HIS H H 1 10.266 0.00 . 1 . . . . . 92 HIS H . 27217 1 337 . 1 1 92 92 HIS CA C 13 57.045 0.01 . 1 . . . . . 92 HIS CA . 27217 1 338 . 1 1 92 92 HIS CB C 13 26.189 0.05 . 1 . . . . . 92 HIS CB . 27217 1 339 . 1 1 92 92 HIS N N 15 122.650 0.03 . 1 . . . . . 92 HIS N . 27217 1 340 . 1 1 93 93 THR H H 1 7.015 0.00 . 1 . . . . . 93 THR H . 27217 1 341 . 1 1 93 93 THR CA C 13 63.177 0.01 . 1 . . . . . 93 THR CA . 27217 1 342 . 1 1 93 93 THR CB C 13 69.662 0.01 . 1 . . . . . 93 THR CB . 27217 1 343 . 1 1 93 93 THR N N 15 110.735 0.01 . 1 . . . . . 93 THR N . 27217 1 344 . 1 1 94 94 GLY H H 1 7.271 0.00 . 1 . . . . . 94 GLY H . 27217 1 345 . 1 1 94 94 GLY CA C 13 45.691 0.00 . 1 . . . . . 94 GLY CA . 27217 1 346 . 1 1 94 94 GLY N N 15 108.023 0.03 . 1 . . . . . 94 GLY N . 27217 1 347 . 1 1 95 95 PRO CA C 13 62.770 0.01 . 1 . . . . . 95 PRO CA . 27217 1 348 . 1 1 95 95 PRO CB C 13 32.566 0.00 . 1 . . . . . 95 PRO CB . 27217 1 349 . 1 1 96 96 GLY H H 1 8.781 0.00 . 1 . . . . . 96 GLY H . 27217 1 350 . 1 1 96 96 GLY CA C 13 45.929 0.01 . 1 . . . . . 96 GLY CA . 27217 1 351 . 1 1 96 96 GLY N N 15 111.275 0.01 . 1 . . . . . 96 GLY N . 27217 1 352 . 1 1 97 97 ILE H H 1 7.784 0.00 . 1 . . . . . 97 ILE H . 27217 1 353 . 1 1 97 97 ILE CA C 13 59.321 0.01 . 1 . . . . . 97 ILE CA . 27217 1 354 . 1 1 97 97 ILE CB C 13 37.812 0.02 . 1 . . . . . 97 ILE CB . 27217 1 355 . 1 1 97 97 ILE N N 15 122.804 0.02 . 1 . . . . . 97 ILE N . 27217 1 356 . 1 1 98 98 LEU H H 1 7.714 0.00 . 1 . . . . . 98 LEU H . 27217 1 357 . 1 1 98 98 LEU CA C 13 53.233 0.03 . 1 . . . . . 98 LEU CA . 27217 1 358 . 1 1 98 98 LEU CB C 13 42.842 0.02 . 1 . . . . . 98 LEU CB . 27217 1 359 . 1 1 98 98 LEU N N 15 128.463 0.03 . 1 . . . . . 98 LEU N . 27217 1 360 . 1 1 99 99 THR H H 1 8.399 0.00 . 1 . . . . . 99 THR H . 27217 1 361 . 1 1 99 99 THR CA C 13 57.840 0.02 . 1 . . . . . 99 THR CA . 27217 1 362 . 1 1 99 99 THR CB C 13 70.384 0.05 . 1 . . . . . 99 THR CB . 27217 1 363 . 1 1 99 99 THR N N 15 120.285 0.01 . 1 . . . . . 99 THR N . 27217 1 364 . 1 1 100 100 MET H H 1 8.486 0.00 . 1 . . . . . 100 MET H . 27217 1 365 . 1 1 100 100 MET CA C 13 54.322 0.05 . 1 . . . . . 100 MET CA . 27217 1 366 . 1 1 100 100 MET CB C 13 31.181 0.01 . 1 . . . . . 100 MET CB . 27217 1 367 . 1 1 100 100 MET N N 15 126.875 0.04 . 1 . . . . . 100 MET N . 27217 1 368 . 1 1 101 101 ALA H H 1 7.939 0.00 . 1 . . . . . 101 ALA H . 27217 1 369 . 1 1 101 101 ALA CA C 13 51.102 0.03 . 1 . . . . . 101 ALA CA . 27217 1 370 . 1 1 101 101 ALA CB C 13 19.812 0.03 . 1 . . . . . 101 ALA CB . 27217 1 371 . 1 1 101 101 ALA N N 15 125.582 0.02 . 1 . . . . . 101 ALA N . 27217 1 372 . 1 1 102 102 ASN H H 1 7.605 0.00 . 1 . . . . . 102 ASN H . 27217 1 373 . 1 1 102 102 ASN CA C 13 53.802 0.01 . 1 . . . . . 102 ASN CA . 27217 1 374 . 1 1 102 102 ASN CB C 13 40.768 0.03 . 1 . . . . . 102 ASN CB . 27217 1 375 . 1 1 102 102 ASN N N 15 114.083 0.02 . 1 . . . . . 102 ASN N . 27217 1 376 . 1 1 103 103 ALA H H 1 8.745 0.00 . 1 . . . . . 103 ALA H . 27217 1 377 . 1 1 103 103 ALA CA C 13 50.370 0.02 . 1 . . . . . 103 ALA CA . 27217 1 378 . 1 1 103 103 ALA CB C 13 19.227 0.04 . 1 . . . . . 103 ALA CB . 27217 1 379 . 1 1 103 103 ALA N N 15 124.596 0.01 . 1 . . . . . 103 ALA N . 27217 1 380 . 1 1 104 104 GLY H H 1 8.008 0.00 . 1 . . . . . 104 GLY H . 27217 1 381 . 1 1 104 104 GLY CA C 13 43.527 0.00 . 1 . . . . . 104 GLY CA . 27217 1 382 . 1 1 104 104 GLY N N 15 109.951 0.02 . 1 . . . . . 104 GLY N . 27217 1 383 . 1 1 105 105 PRO CA C 13 63.925 0.02 . 1 . . . . . 105 PRO CA . 27217 1 384 . 1 1 105 105 PRO CB C 13 31.974 0.02 . 1 . . . . . 105 PRO CB . 27217 1 385 . 1 1 106 106 ASN H H 1 8.762 0.00 . 1 . . . . . 106 ASN H . 27217 1 386 . 1 1 106 106 ASN CA C 13 54.148 0.06 . 1 . . . . . 106 ASN CA . 27217 1 387 . 1 1 106 106 ASN CB C 13 37.082 0.04 . 1 . . . . . 106 ASN CB . 27217 1 388 . 1 1 106 106 ASN N N 15 119.892 0.02 . 1 . . . . . 106 ASN N . 27217 1 389 . 1 1 107 107 THR H H 1 10.047 0.00 . 1 . . . . . 107 THR H . 27217 1 390 . 1 1 107 107 THR CA C 13 60.196 0.01 . 1 . . . . . 107 THR CA . 27217 1 391 . 1 1 107 107 THR CB C 13 68.895 0.03 . 1 . . . . . 107 THR CB . 27217 1 392 . 1 1 107 107 THR N N 15 111.043 0.01 . 1 . . . . . 107 THR N . 27217 1 393 . 1 1 108 108 ASN H H 1 7.267 0.00 . 1 . . . . . 108 ASN H . 27217 1 394 . 1 1 108 108 ASN CA C 13 55.665 0.01 . 1 . . . . . 108 ASN CA . 27217 1 395 . 1 1 108 108 ASN CB C 13 39.718 0.04 . 1 . . . . . 108 ASN CB . 27217 1 396 . 1 1 108 108 ASN N N 15 121.380 0.02 . 1 . . . . . 108 ASN N . 27217 1 397 . 1 1 109 109 GLY H H 1 9.014 0.00 . 1 . . . . . 109 GLY H . 27217 1 398 . 1 1 109 109 GLY CA C 13 45.762 0.02 . 1 . . . . . 109 GLY CA . 27217 1 399 . 1 1 109 109 GLY N N 15 111.701 0.01 . 1 . . . . . 109 GLY N . 27217 1 400 . 1 1 110 110 SER H H 1 8.702 0.00 . 1 . . . . . 110 SER H . 27217 1 401 . 1 1 110 110 SER CA C 13 57.557 0.02 . 1 . . . . . 110 SER CA . 27217 1 402 . 1 1 110 110 SER CB C 13 66.203 0.00 . 1 . . . . . 110 SER CB . 27217 1 403 . 1 1 110 110 SER N N 15 117.929 0.01 . 1 . . . . . 110 SER N . 27217 1 404 . 1 1 111 111 GLN H H 1 8.261 0.00 . 1 . . . . . 111 GLN H . 27217 1 405 . 1 1 111 111 GLN CA C 13 57.304 0.02 . 1 . . . . . 111 GLN CA . 27217 1 406 . 1 1 111 111 GLN CB C 13 32.097 0.03 . 1 . . . . . 111 GLN CB . 27217 1 407 . 1 1 111 111 GLN N N 15 125.141 0.02 . 1 . . . . . 111 GLN N . 27217 1 408 . 1 1 112 112 PHE H H 1 7.985 0.00 . 1 . . . . . 112 PHE H . 27217 1 409 . 1 1 112 112 PHE CA C 13 55.664 0.01 . 1 . . . . . 112 PHE CA . 27217 1 410 . 1 1 112 112 PHE CB C 13 42.774 0.03 . 1 . . . . . 112 PHE CB . 27217 1 411 . 1 1 112 112 PHE N N 15 117.982 0.02 . 1 . . . . . 112 PHE N . 27217 1 412 . 1 1 113 113 PHE H H 1 9.627 0.00 . 1 . . . . . 113 PHE H . 27217 1 413 . 1 1 113 113 PHE CA C 13 52.951 0.01 . 1 . . . . . 113 PHE CA . 27217 1 414 . 1 1 113 113 PHE CB C 13 40.895 0.04 . 1 . . . . . 113 PHE CB . 27217 1 415 . 1 1 113 113 PHE N N 15 117.279 0.02 . 1 . . . . . 113 PHE N . 27217 1 416 . 1 1 114 114 ILE H H 1 9.025 0.01 . 1 . . . . . 114 ILE H . 27217 1 417 . 1 1 114 114 ILE CA C 13 60.270 0.02 . 1 . . . . . 114 ILE CA . 27217 1 418 . 1 1 114 114 ILE CB C 13 40.248 0.00 . 1 . . . . . 114 ILE CB . 27217 1 419 . 1 1 114 114 ILE N N 15 119.400 0.01 . 1 . . . . . 114 ILE N . 27217 1 420 . 1 1 115 115 SER H H 1 9.801 0.00 . 1 . . . . . 115 SER H . 27217 1 421 . 1 1 115 115 SER CA C 13 59.253 0.02 . 1 . . . . . 115 SER CA . 27217 1 422 . 1 1 115 115 SER CB C 13 64.901 0.03 . 1 . . . . . 115 SER CB . 27217 1 423 . 1 1 115 115 SER N N 15 124.253 0.02 . 1 . . . . . 115 SER N . 27217 1 424 . 1 1 116 116 THR H H 1 8.621 0.00 . 1 . . . . . 116 THR H . 27217 1 425 . 1 1 116 116 THR CA C 13 60.427 0.05 . 1 . . . . . 116 THR CA . 27217 1 426 . 1 1 116 116 THR CB C 13 67.069 0.03 . 1 . . . . . 116 THR CB . 27217 1 427 . 1 1 116 116 THR N N 15 113.683 0.02 . 1 . . . . . 116 THR N . 27217 1 428 . 1 1 117 117 ALA H H 1 7.682 0.00 . 1 . . . . . 117 ALA H . 27217 1 429 . 1 1 117 117 ALA CA C 13 50.782 0.01 . 1 . . . . . 117 ALA CA . 27217 1 430 . 1 1 117 117 ALA CB C 13 22.796 0.04 . 1 . . . . . 117 ALA CB . 27217 1 431 . 1 1 117 117 ALA N N 15 123.421 0.01 . 1 . . . . . 117 ALA N . 27217 1 432 . 1 1 118 118 LYS H H 1 8.664 0.00 . 1 . . . . . 118 LYS H . 27217 1 433 . 1 1 118 118 LYS CA C 13 58.248 0.05 . 1 . . . . . 118 LYS CA . 27217 1 434 . 1 1 118 118 LYS CB C 13 32.698 0.03 . 1 . . . . . 118 LYS CB . 27217 1 435 . 1 1 118 118 LYS N N 15 120.983 0.01 . 1 . . . . . 118 LYS N . 27217 1 436 . 1 1 119 119 THR H H 1 7.150 0.01 . 1 . . . . . 119 THR H . 27217 1 437 . 1 1 119 119 THR CA C 13 57.228 0.06 . 1 . . . . . 119 THR CA . 27217 1 438 . 1 1 119 119 THR CB C 13 69.344 0.03 . 1 . . . . . 119 THR CB . 27217 1 439 . 1 1 119 119 THR N N 15 119.150 0.03 . 1 . . . . . 119 THR N . 27217 1 440 . 1 1 120 120 GLU H H 1 9.224 0.00 . 1 . . . . . 120 GLU H . 27217 1 441 . 1 1 120 120 GLU CA C 13 59.249 0.02 . 1 . . . . . 120 GLU CA . 27217 1 442 . 1 1 120 120 GLU CB C 13 29.090 0.04 . 1 . . . . . 120 GLU CB . 27217 1 443 . 1 1 120 120 GLU N N 15 125.790 0.03 . 1 . . . . . 120 GLU N . 27217 1 444 . 1 1 121 121 TRP H H 1 7.158 0.00 . 1 . . . . . 121 TRP H . 27217 1 445 . 1 1 121 121 TRP HE1 H 1 9.486 0.00 . 1 . . . . . 121 TRP HE1 . 27217 1 446 . 1 1 121 121 TRP CA C 13 59.542 0.01 . 1 . . . . . 121 TRP CA . 27217 1 447 . 1 1 121 121 TRP CB C 13 26.909 0.05 . 1 . . . . . 121 TRP CB . 27217 1 448 . 1 1 121 121 TRP N N 15 118.824 0.01 . 1 . . . . . 121 TRP N . 27217 1 449 . 1 1 121 121 TRP NE1 N 15 130.998 0.00 . 1 . . . . . 121 TRP NE1 . 27217 1 450 . 1 1 122 122 LEU H H 1 6.888 0.00 . 1 . . . . . 122 LEU H . 27217 1 451 . 1 1 122 122 LEU CA C 13 54.881 0.04 . 1 . . . . . 122 LEU CA . 27217 1 452 . 1 1 122 122 LEU CB C 13 38.621 0.02 . 1 . . . . . 122 LEU CB . 27217 1 453 . 1 1 122 122 LEU N N 15 120.266 0.01 . 1 . . . . . 122 LEU N . 27217 1 454 . 1 1 123 123 ASP H H 1 7.603 0.00 . 1 . . . . . 123 ASP H . 27217 1 455 . 1 1 123 123 ASP CA C 13 55.876 0.04 . 1 . . . . . 123 ASP CA . 27217 1 456 . 1 1 123 123 ASP CB C 13 39.624 0.02 . 1 . . . . . 123 ASP CB . 27217 1 457 . 1 1 123 123 ASP N N 15 122.669 0.02 . 1 . . . . . 123 ASP N . 27217 1 458 . 1 1 124 124 GLY H H 1 9.470 0.00 . 1 . . . . . 124 GLY H . 27217 1 459 . 1 1 124 124 GLY CA C 13 45.103 0.03 . 1 . . . . . 124 GLY CA . 27217 1 460 . 1 1 124 124 GLY N N 15 111.888 0.01 . 1 . . . . . 124 GLY N . 27217 1 461 . 1 1 125 125 LYS H H 1 7.656 0.00 . 1 . . . . . 125 LYS H . 27217 1 462 . 1 1 125 125 LYS CA C 13 56.352 0.00 . 1 . . . . . 125 LYS CA . 27217 1 463 . 1 1 125 125 LYS CB C 13 35.772 0.03 . 1 . . . . . 125 LYS CB . 27217 1 464 . 1 1 125 125 LYS N N 15 116.096 0.01 . 1 . . . . . 125 LYS N . 27217 1 465 . 1 1 126 126 HIS H H 1 7.635 0.00 . 1 . . . . . 126 HIS H . 27217 1 466 . 1 1 126 126 HIS CA C 13 54.775 0.04 . 1 . . . . . 126 HIS CA . 27217 1 467 . 1 1 126 126 HIS CB C 13 31.418 0.00 . 1 . . . . . 126 HIS CB . 27217 1 468 . 1 1 126 126 HIS N N 15 121.236 0.03 . 1 . . . . . 126 HIS N . 27217 1 469 . 1 1 127 127 VAL H H 1 8.101 0.00 . 1 . . . . . 127 VAL H . 27217 1 470 . 1 1 127 127 VAL CA C 13 63.874 0.01 . 1 . . . . . 127 VAL CA . 27217 1 471 . 1 1 127 127 VAL CB C 13 33.611 0.00 . 1 . . . . . 127 VAL CB . 27217 1 472 . 1 1 127 127 VAL N N 15 125.218 0.04 . 1 . . . . . 127 VAL N . 27217 1 473 . 1 1 128 128 VAL H H 1 9.236 0.01 . 1 . . . . . 128 VAL H . 27217 1 474 . 1 1 128 128 VAL CA C 13 63.261 0.03 . 1 . . . . . 128 VAL CA . 27217 1 475 . 1 1 128 128 VAL CB C 13 31.711 0.00 . 1 . . . . . 128 VAL CB . 27217 1 476 . 1 1 128 128 VAL N N 15 133.879 0.04 . 1 . . . . . 128 VAL N . 27217 1 477 . 1 1 129 129 PHE H H 1 8.142 0.00 . 1 . . . . . 129 PHE H . 27217 1 478 . 1 1 129 129 PHE CA C 13 56.069 0.02 . 1 . . . . . 129 PHE CA . 27217 1 479 . 1 1 129 129 PHE CB C 13 42.386 0.03 . 1 . . . . . 129 PHE CB . 27217 1 480 . 1 1 129 129 PHE N N 15 118.550 0.01 . 1 . . . . . 129 PHE N . 27217 1 481 . 1 1 130 130 GLY H H 1 7.281 0.00 . 1 . . . . . 130 GLY H . 27217 1 482 . 1 1 130 130 GLY CA C 13 46.552 0.02 . 1 . . . . . 130 GLY CA . 27217 1 483 . 1 1 130 130 GLY N N 15 111.899 0.01 . 1 . . . . . 130 GLY N . 27217 1 484 . 1 1 131 131 LYS H H 1 8.309 0.00 . 1 . . . . . 131 LYS H . 27217 1 485 . 1 1 131 131 LYS CA C 13 54.667 0.01 . 1 . . . . . 131 LYS CA . 27217 1 486 . 1 1 131 131 LYS CB C 13 35.851 0.02 . 1 . . . . . 131 LYS CB . 27217 1 487 . 1 1 131 131 LYS N N 15 115.799 0.01 . 1 . . . . . 131 LYS N . 27217 1 488 . 1 1 132 132 VAL H H 1 9.174 0.00 . 1 . . . . . 132 VAL H . 27217 1 489 . 1 1 132 132 VAL CA C 13 63.992 0.01 . 1 . . . . . 132 VAL CA . 27217 1 490 . 1 1 132 132 VAL CB C 13 32.641 0.02 . 1 . . . . . 132 VAL CB . 27217 1 491 . 1 1 132 132 VAL N N 15 124.259 0.02 . 1 . . . . . 132 VAL N . 27217 1 492 . 1 1 133 133 LYS H H 1 9.408 0.01 . 1 . . . . . 133 LYS H . 27217 1 493 . 1 1 133 133 LYS CA C 13 56.837 0.01 . 1 . . . . . 133 LYS CA . 27217 1 494 . 1 1 133 133 LYS CB C 13 34.005 0.04 . 1 . . . . . 133 LYS CB . 27217 1 495 . 1 1 133 133 LYS N N 15 132.526 0.03 . 1 . . . . . 133 LYS N . 27217 1 496 . 1 1 134 134 GLU H H 1 7.478 0.00 . 1 . . . . . 134 GLU H . 27217 1 497 . 1 1 134 134 GLU CA C 13 55.377 0.01 . 1 . . . . . 134 GLU CA . 27217 1 498 . 1 1 134 134 GLU CB C 13 32.882 0.03 . 1 . . . . . 134 GLU CB . 27217 1 499 . 1 1 134 134 GLU N N 15 119.257 0.01 . 1 . . . . . 134 GLU N . 27217 1 500 . 1 1 135 135 GLY H H 1 8.610 0.00 . 1 . . . . . 135 GLY H . 27217 1 501 . 1 1 135 135 GLY CA C 13 46.066 0.02 . 1 . . . . . 135 GLY CA . 27217 1 502 . 1 1 135 135 GLY N N 15 108.977 0.01 . 1 . . . . . 135 GLY N . 27217 1 503 . 1 1 136 136 MET H H 1 8.764 0.00 . 1 . . . . . 136 MET H . 27217 1 504 . 1 1 136 136 MET CA C 13 56.878 0.02 . 1 . . . . . 136 MET CA . 27217 1 505 . 1 1 136 136 MET CB C 13 30.331 0.05 . 1 . . . . . 136 MET CB . 27217 1 506 . 1 1 136 136 MET N N 15 123.478 0.01 . 1 . . . . . 136 MET N . 27217 1 507 . 1 1 137 137 ASN H H 1 8.817 0.00 . 1 . . . . . 137 ASN H . 27217 1 508 . 1 1 137 137 ASN CA C 13 56.031 0.01 . 1 . . . . . 137 ASN CA . 27217 1 509 . 1 1 137 137 ASN CB C 13 36.016 0.03 . 1 . . . . . 137 ASN CB . 27217 1 510 . 1 1 137 137 ASN N N 15 115.194 0.01 . 1 . . . . . 137 ASN N . 27217 1 511 . 1 1 138 138 ILE H H 1 7.589 0.00 . 1 . . . . . 138 ILE H . 27217 1 512 . 1 1 138 138 ILE CA C 13 61.475 0.01 . 1 . . . . . 138 ILE CA . 27217 1 513 . 1 1 138 138 ILE CB C 13 34.416 0.04 . 1 . . . . . 138 ILE CB . 27217 1 514 . 1 1 138 138 ILE N N 15 125.006 0.02 . 1 . . . . . 138 ILE N . 27217 1 515 . 1 1 139 139 VAL H H 1 7.149 0.00 . 1 . . . . . 139 VAL H . 27217 1 516 . 1 1 139 139 VAL CA C 13 66.066 0.01 . 1 . . . . . 139 VAL CA . 27217 1 517 . 1 1 139 139 VAL CB C 13 31.145 0.04 . 1 . . . . . 139 VAL CB . 27217 1 518 . 1 1 139 139 VAL N N 15 122.883 0.01 . 1 . . . . . 139 VAL N . 27217 1 519 . 1 1 140 140 GLU H H 1 8.218 0.00 . 1 . . . . . 140 GLU H . 27217 1 520 . 1 1 140 140 GLU CA C 13 59.222 0.01 . 1 . . . . . 140 GLU CA . 27217 1 521 . 1 1 140 140 GLU CB C 13 29.553 0.04 . 1 . . . . . 140 GLU CB . 27217 1 522 . 1 1 140 140 GLU N N 15 118.134 0.01 . 1 . . . . . 140 GLU N . 27217 1 523 . 1 1 141 141 ALA H H 1 7.439 0.00 . 1 . . . . . 141 ALA H . 27217 1 524 . 1 1 141 141 ALA CA C 13 54.852 0.01 . 1 . . . . . 141 ALA CA . 27217 1 525 . 1 1 141 141 ALA CB C 13 18.192 0.02 . 1 . . . . . 141 ALA CB . 27217 1 526 . 1 1 141 141 ALA N N 15 121.980 0.01 . 1 . . . . . 141 ALA N . 27217 1 527 . 1 1 142 142 MET H H 1 8.197 0.00 . 1 . . . . . 142 MET H . 27217 1 528 . 1 1 142 142 MET CA C 13 59.700 0.01 . 1 . . . . . 142 MET CA . 27217 1 529 . 1 1 142 142 MET CB C 13 33.910 0.04 . 1 . . . . . 142 MET CB . 27217 1 530 . 1 1 142 142 MET N N 15 118.539 0.00 . 1 . . . . . 142 MET N . 27217 1 531 . 1 1 143 143 GLU H H 1 7.765 0.00 . 1 . . . . . 143 GLU H . 27217 1 532 . 1 1 143 143 GLU CA C 13 59.082 0.01 . 1 . . . . . 143 GLU CA . 27217 1 533 . 1 1 143 143 GLU CB C 13 30.365 0.03 . 1 . . . . . 143 GLU CB . 27217 1 534 . 1 1 143 143 GLU N N 15 117.550 0.01 . 1 . . . . . 143 GLU N . 27217 1 535 . 1 1 144 144 ARG H H 1 6.936 0.00 . 1 . . . . . 144 ARG H . 27217 1 536 . 1 1 144 144 ARG CA C 13 57.627 0.01 . 1 . . . . . 144 ARG CA . 27217 1 537 . 1 1 144 144 ARG CB C 13 29.540 0.04 . 1 . . . . . 144 ARG CB . 27217 1 538 . 1 1 144 144 ARG N N 15 115.175 0.02 . 1 . . . . . 144 ARG N . 27217 1 539 . 1 1 145 145 PHE H H 1 7.591 0.00 . 1 . . . . . 145 PHE H . 27217 1 540 . 1 1 145 145 PHE CA C 13 57.915 0.03 . 1 . . . . . 145 PHE CA . 27217 1 541 . 1 1 145 145 PHE CB C 13 39.022 0.04 . 1 . . . . . 145 PHE CB . 27217 1 542 . 1 1 145 145 PHE N N 15 116.274 0.01 . 1 . . . . . 145 PHE N . 27217 1 543 . 1 1 146 146 GLY H H 1 7.459 0.00 . 1 . . . . . 146 GLY H . 27217 1 544 . 1 1 146 146 GLY CA C 13 44.168 0.02 . 1 . . . . . 146 GLY CA . 27217 1 545 . 1 1 146 146 GLY N N 15 105.555 0.01 . 1 . . . . . 146 GLY N . 27217 1 546 . 1 1 147 147 SER H H 1 8.055 0.00 . 1 . . . . . 147 SER H . 27217 1 547 . 1 1 147 147 SER CA C 13 58.175 0.00 . 1 . . . . . 147 SER CA . 27217 1 548 . 1 1 147 147 SER CB C 13 65.729 0.02 . 1 . . . . . 147 SER CB . 27217 1 549 . 1 1 147 147 SER N N 15 110.808 0.01 . 1 . . . . . 147 SER N . 27217 1 550 . 1 1 148 148 ARG H H 1 8.773 0.00 . 1 . . . . . 148 ARG H . 27217 1 551 . 1 1 148 148 ARG CA C 13 59.803 0.02 . 1 . . . . . 148 ARG CA . 27217 1 552 . 1 1 148 148 ARG CB C 13 29.817 0.02 . 1 . . . . . 148 ARG CB . 27217 1 553 . 1 1 148 148 ARG N N 15 121.110 0.01 . 1 . . . . . 148 ARG N . 27217 1 554 . 1 1 149 149 ASN H H 1 7.827 0.00 . 1 . . . . . 149 ASN H . 27217 1 555 . 1 1 149 149 ASN CA C 13 52.387 0.01 . 1 . . . . . 149 ASN CA . 27217 1 556 . 1 1 149 149 ASN CB C 13 38.314 0.02 . 1 . . . . . 149 ASN CB . 27217 1 557 . 1 1 149 149 ASN N N 15 112.652 0.02 . 1 . . . . . 149 ASN N . 27217 1 558 . 1 1 150 150 GLY H H 1 7.993 0.00 . 1 . . . . . 150 GLY H . 27217 1 559 . 1 1 150 150 GLY CA C 13 45.052 0.02 . 1 . . . . . 150 GLY CA . 27217 1 560 . 1 1 150 150 GLY N N 15 111.189 0.01 . 1 . . . . . 150 GLY N . 27217 1 561 . 1 1 151 151 LYS H H 1 7.458 0.00 . 1 . . . . . 151 LYS H . 27217 1 562 . 1 1 151 151 LYS CA C 13 57.303 0.00 . 1 . . . . . 151 LYS CA . 27217 1 563 . 1 1 151 151 LYS CB C 13 32.434 0.03 . 1 . . . . . 151 LYS CB . 27217 1 564 . 1 1 151 151 LYS N N 15 120.774 0.01 . 1 . . . . . 151 LYS N . 27217 1 565 . 1 1 152 152 THR H H 1 8.766 0.00 . 1 . . . . . 152 THR H . 27217 1 566 . 1 1 152 152 THR CA C 13 60.019 0.01 . 1 . . . . . 152 THR CA . 27217 1 567 . 1 1 152 152 THR CB C 13 71.266 0.02 . 1 . . . . . 152 THR CB . 27217 1 568 . 1 1 152 152 THR N N 15 117.520 0.01 . 1 . . . . . 152 THR N . 27217 1 569 . 1 1 153 153 SER H H 1 9.339 0.00 . 1 . . . . . 153 SER H . 27217 1 570 . 1 1 153 153 SER CA C 13 58.974 0.03 . 1 . . . . . 153 SER CA . 27217 1 571 . 1 1 153 153 SER CB C 13 63.649 0.01 . 1 . . . . . 153 SER CB . 27217 1 572 . 1 1 153 153 SER N N 15 117.992 0.01 . 1 . . . . . 153 SER N . 27217 1 573 . 1 1 154 154 LYS H H 1 7.440 0.00 . 1 . . . . . 154 LYS H . 27217 1 574 . 1 1 154 154 LYS CA C 13 54.585 0.01 . 1 . . . . . 154 LYS CA . 27217 1 575 . 1 1 154 154 LYS CB C 13 38.468 0.03 . 1 . . . . . 154 LYS CB . 27217 1 576 . 1 1 154 154 LYS N N 15 120.011 0.01 . 1 . . . . . 154 LYS N . 27217 1 577 . 1 1 155 155 LYS H H 1 8.714 0.00 . 1 . . . . . 155 LYS H . 27217 1 578 . 1 1 155 155 LYS CA C 13 56.372 0.00 . 1 . . . . . 155 LYS CA . 27217 1 579 . 1 1 155 155 LYS CB C 13 32.179 0.03 . 1 . . . . . 155 LYS CB . 27217 1 580 . 1 1 155 155 LYS N N 15 122.688 0.02 . 1 . . . . . 155 LYS N . 27217 1 581 . 1 1 156 156 ILE H H 1 9.527 0.00 . 1 . . . . . 156 ILE H . 27217 1 582 . 1 1 156 156 ILE CA C 13 59.364 0.01 . 1 . . . . . 156 ILE CA . 27217 1 583 . 1 1 156 156 ILE CB C 13 37.057 0.04 . 1 . . . . . 156 ILE CB . 27217 1 584 . 1 1 156 156 ILE N N 15 135.205 0.02 . 1 . . . . . 156 ILE N . 27217 1 585 . 1 1 157 157 THR H H 1 9.177 0.00 . 1 . . . . . 157 THR H . 27217 1 586 . 1 1 157 157 THR CA C 13 59.414 0.01 . 1 . . . . . 157 THR CA . 27217 1 587 . 1 1 157 157 THR CB C 13 72.653 0.03 . 1 . . . . . 157 THR CB . 27217 1 588 . 1 1 157 157 THR N N 15 117.905 0.01 . 1 . . . . . 157 THR N . 27217 1 589 . 1 1 158 158 ILE H H 1 8.503 0.00 . 1 . . . . . 158 ILE H . 27217 1 590 . 1 1 158 158 ILE CA C 13 60.885 0.01 . 1 . . . . . 158 ILE CA . 27217 1 591 . 1 1 158 158 ILE CB C 13 37.007 0.04 . 1 . . . . . 158 ILE CB . 27217 1 592 . 1 1 158 158 ILE N N 15 122.350 0.02 . 1 . . . . . 158 ILE N . 27217 1 593 . 1 1 159 159 ALA H H 1 8.794 0.00 . 1 . . . . . 159 ALA H . 27217 1 594 . 1 1 159 159 ALA CA C 13 54.208 0.02 . 1 . . . . . 159 ALA CA . 27217 1 595 . 1 1 159 159 ALA CB C 13 19.205 0.05 . 1 . . . . . 159 ALA CB . 27217 1 596 . 1 1 159 159 ALA N N 15 133.291 0.02 . 1 . . . . . 159 ALA N . 27217 1 597 . 1 1 160 160 ASP H H 1 7.984 0.00 . 1 . . . . . 160 ASP H . 27217 1 598 . 1 1 160 160 ASP CA C 13 52.789 0.02 . 1 . . . . . 160 ASP CA . 27217 1 599 . 1 1 160 160 ASP CB C 13 43.625 0.03 . 1 . . . . . 160 ASP CB . 27217 1 600 . 1 1 160 160 ASP N N 15 112.361 0.02 . 1 . . . . . 160 ASP N . 27217 1 601 . 1 1 161 161 CYS H H 1 8.518 0.00 . 1 . . . . . 161 CYS H . 27217 1 602 . 1 1 161 161 CYS CA C 13 55.355 0.01 . 1 . . . . . 161 CYS CA . 27217 1 603 . 1 1 161 161 CYS CB C 13 31.381 0.03 . 1 . . . . . 161 CYS CB . 27217 1 604 . 1 1 161 161 CYS N N 15 116.986 0.01 . 1 . . . . . 161 CYS N . 27217 1 605 . 1 1 162 162 GLY H H 1 6.742 0.00 . 1 . . . . . 162 GLY H . 27217 1 606 . 1 1 162 162 GLY CA C 13 45.383 0.02 . 1 . . . . . 162 GLY CA . 27217 1 607 . 1 1 162 162 GLY N N 15 104.993 0.02 . 1 . . . . . 162 GLY N . 27217 1 608 . 1 1 163 163 GLN H H 1 8.991 0.00 . 1 . . . . . 163 GLN H . 27217 1 609 . 1 1 163 163 GLN CA C 13 54.954 0.03 . 1 . . . . . 163 GLN CA . 27217 1 610 . 1 1 163 163 GLN CB C 13 30.801 0.04 . 1 . . . . . 163 GLN CB . 27217 1 611 . 1 1 163 163 GLN N N 15 121.797 0.02 . 1 . . . . . 163 GLN N . 27217 1 612 . 1 1 164 164 LEU H H 1 8.529 0.00 . 1 . . . . . 164 LEU H . 27217 1 613 . 1 1 164 164 LEU CA C 13 54.855 0.01 . 1 . . . . . 164 LEU CA . 27217 1 614 . 1 1 164 164 LEU CB C 13 43.412 0.03 . 1 . . . . . 164 LEU CB . 27217 1 615 . 1 1 164 164 LEU N N 15 126.885 0.01 . 1 . . . . . 164 LEU N . 27217 1 616 . 1 1 165 165 GLU H H 1 8.058 0.00 . 1 . . . . . 165 GLU H . 27217 1 617 . 1 1 165 165 GLU CA C 13 58.117 0.00 . 1 . . . . . 165 GLU CA . 27217 1 618 . 1 1 165 165 GLU CB C 13 31.747 0.00 . 1 . . . . . 165 GLU CB . 27217 1 619 . 1 1 165 165 GLU N N 15 126.942 0.01 . 1 . . . . . 165 GLU N . 27217 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27217 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_2 _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 ; 1HN and 15N cross peak assignments at 10 degrees Celsius were obtained by recording HSQC spectra between 25 and 10 degrees Celsius with an interval of 5 degrees. TROSY offset: amide protons and nitrogens. ; _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 4 '2D 1H-15N HSQC' . . . 27217 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL H H 1 8.528 0.00 . 1 . . . . . 2 VAL H . 27217 2 2 . 1 1 2 2 VAL N N 15 124.234 0.00 . 1 . . . . . 2 VAL N . 27217 2 3 . 1 1 3 3 ASN H H 1 8.758 0.00 . 1 . . . . . 3 ASN H . 27217 2 4 . 1 1 3 3 ASN N N 15 128.047 0.00 . 1 . . . . . 3 ASN N . 27217 2 5 . 1 1 5 5 THR H H 1 8.787 0.00 . 1 . . . . . 5 THR H . 27217 2 6 . 1 1 5 5 THR N N 15 115.981 0.00 . 1 . . . . . 5 THR N . 27217 2 7 . 1 1 6 6 VAL H H 1 8.715 0.00 . 1 . . . . . 6 VAL H . 27217 2 8 . 1 1 6 6 VAL N N 15 120.772 0.00 . 1 . . . . . 6 VAL N . 27217 2 9 . 1 1 7 7 PHE H H 1 8.919 0.00 . 1 . . . . . 7 PHE H . 27217 2 10 . 1 1 7 7 PHE N N 15 119.832 0.00 . 1 . . . . . 7 PHE N . 27217 2 11 . 1 1 8 8 PHE H H 1 9.526 0.00 . 1 . . . . . 8 PHE H . 27217 2 12 . 1 1 8 8 PHE N N 15 117.739 0.00 . 1 . . . . . 8 PHE N . 27217 2 13 . 1 1 9 9 ASP H H 1 9.268 0.00 . 1 . . . . . 9 ASP H . 27217 2 14 . 1 1 9 9 ASP N N 15 125.174 0.00 . 1 . . . . . 9 ASP N . 27217 2 15 . 1 1 10 10 ILE H H 1 9.017 0.00 . 1 . . . . . 10 ILE H . 27217 2 16 . 1 1 10 10 ILE N N 15 125.274 0.00 . 1 . . . . . 10 ILE N . 27217 2 17 . 1 1 11 11 ALA H H 1 9.590 0.00 . 1 . . . . . 11 ALA H . 27217 2 18 . 1 1 11 11 ALA N N 15 133.546 0.00 . 1 . . . . . 11 ALA N . 27217 2 19 . 1 1 12 12 VAL H H 1 8.885 0.00 . 1 . . . . . 12 VAL H . 27217 2 20 . 1 1 12 12 VAL N N 15 119.305 0.00 . 1 . . . . . 12 VAL N . 27217 2 21 . 1 1 13 13 ASP H H 1 9.852 0.00 . 1 . . . . . 13 ASP H . 27217 2 22 . 1 1 13 13 ASP N N 15 132.064 0.00 . 1 . . . . . 13 ASP N . 27217 2 23 . 1 1 14 14 GLY H H 1 8.537 0.00 . 1 . . . . . 14 GLY H . 27217 2 24 . 1 1 14 14 GLY N N 15 102.491 0.00 . 1 . . . . . 14 GLY N . 27217 2 25 . 1 1 15 15 GLU H H 1 7.996 0.00 . 1 . . . . . 15 GLU H . 27217 2 26 . 1 1 15 15 GLU N N 15 124.210 0.00 . 1 . . . . . 15 GLU N . 27217 2 27 . 1 1 17 17 LEU H H 1 9.157 0.00 . 1 . . . . . 17 LEU H . 27217 2 28 . 1 1 17 17 LEU N N 15 127.105 0.00 . 1 . . . . . 17 LEU N . 27217 2 29 . 1 1 18 18 GLY H H 1 7.184 0.00 . 1 . . . . . 18 GLY H . 27217 2 30 . 1 1 18 18 GLY N N 15 103.494 0.00 . 1 . . . . . 18 GLY N . 27217 2 31 . 1 1 19 19 ARG H H 1 8.372 0.00 . 1 . . . . . 19 ARG H . 27217 2 32 . 1 1 19 19 ARG N N 15 122.031 0.00 . 1 . . . . . 19 ARG N . 27217 2 33 . 1 1 20 20 VAL H H 1 9.353 0.00 . 1 . . . . . 20 VAL H . 27217 2 34 . 1 1 20 20 VAL N N 15 128.059 0.00 . 1 . . . . . 20 VAL N . 27217 2 35 . 1 1 21 21 SER H H 1 8.745 0.00 . 1 . . . . . 21 SER H . 27217 2 36 . 1 1 21 21 SER N N 15 121.366 0.00 . 1 . . . . . 21 SER N . 27217 2 37 . 1 1 22 22 PHE H H 1 9.499 0.00 . 1 . . . . . 22 PHE H . 27217 2 38 . 1 1 22 22 PHE N N 15 120.005 0.00 . 1 . . . . . 22 PHE N . 27217 2 39 . 1 1 23 23 GLU H H 1 8.690 0.00 . 1 . . . . . 23 GLU H . 27217 2 40 . 1 1 23 23 GLU N N 15 124.017 0.00 . 1 . . . . . 23 GLU N . 27217 2 41 . 1 1 24 24 LEU H H 1 8.188 0.00 . 1 . . . . . 24 LEU H . 27217 2 42 . 1 1 24 24 LEU N N 15 123.447 0.00 . 1 . . . . . 24 LEU N . 27217 2 43 . 1 1 25 25 PHE H H 1 8.826 0.00 . 1 . . . . . 25 PHE H . 27217 2 44 . 1 1 25 25 PHE N N 15 125.709 0.00 . 1 . . . . . 25 PHE N . 27217 2 45 . 1 1 26 26 ALA H H 1 8.417 0.00 . 1 . . . . . 26 ALA H . 27217 2 46 . 1 1 26 26 ALA N N 15 130.229 0.00 . 1 . . . . . 26 ALA N . 27217 2 47 . 1 1 27 27 ASP H H 1 8.971 0.00 . 1 . . . . . 27 ASP H . 27217 2 48 . 1 1 27 27 ASP N N 15 115.227 0.00 . 1 . . . . . 27 ASP N . 27217 2 49 . 1 1 28 28 LYS H H 1 7.503 0.00 . 1 . . . . . 28 LYS H . 27217 2 50 . 1 1 28 28 LYS N N 15 119.013 0.00 . 1 . . . . . 28 LYS N . 27217 2 51 . 1 1 29 29 VAL H H 1 8.387 0.00 . 1 . . . . . 29 VAL H . 27217 2 52 . 1 1 29 29 VAL N N 15 115.703 0.00 . 1 . . . . . 29 VAL N . 27217 2 53 . 1 1 31 31 LYS H H 1 10.640 0.00 . 1 . . . . . 31 LYS H . 27217 2 54 . 1 1 31 31 LYS N N 15 124.736 0.00 . 1 . . . . . 31 LYS N . 27217 2 55 . 1 1 32 32 THR H H 1 10.246 0.00 . 1 . . . . . 32 THR H . 27217 2 56 . 1 1 32 32 THR N N 15 125.097 0.00 . 1 . . . . . 32 THR N . 27217 2 57 . 1 1 33 33 ALA H H 1 9.259 0.00 . 1 . . . . . 33 ALA H . 27217 2 58 . 1 1 33 33 ALA N N 15 126.601 0.00 . 1 . . . . . 33 ALA N . 27217 2 59 . 1 1 34 34 GLU H H 1 7.985 0.00 . 1 . . . . . 34 GLU H . 27217 2 60 . 1 1 34 34 GLU N N 15 118.092 0.00 . 1 . . . . . 34 GLU N . 27217 2 61 . 1 1 35 35 ASN H H 1 7.040 0.00 . 1 . . . . . 35 ASN H . 27217 2 62 . 1 1 35 35 ASN N N 15 116.462 0.00 . 1 . . . . . 35 ASN N . 27217 2 63 . 1 1 36 36 PHE H H 1 6.915 0.00 . 1 . . . . . 36 PHE H . 27217 2 64 . 1 1 36 36 PHE N N 15 118.719 0.00 . 1 . . . . . 36 PHE N . 27217 2 65 . 1 1 37 37 ARG H H 1 8.904 0.00 . 1 . . . . . 37 ARG H . 27217 2 66 . 1 1 37 37 ARG N N 15 122.115 0.00 . 1 . . . . . 37 ARG N . 27217 2 67 . 1 1 38 38 ALA H H 1 8.619 0.00 . 1 . . . . . 38 ALA H . 27217 2 68 . 1 1 38 38 ALA N N 15 119.889 0.00 . 1 . . . . . 38 ALA N . 27217 2 69 . 1 1 39 39 LEU H H 1 8.118 0.00 . 1 . . . . . 39 LEU H . 27217 2 70 . 1 1 39 39 LEU N N 15 121.805 0.00 . 1 . . . . . 39 LEU N . 27217 2 71 . 1 1 40 40 SER H H 1 7.848 0.00 . 1 . . . . . 40 SER H . 27217 2 72 . 1 1 40 40 SER N N 15 120.317 0.00 . 1 . . . . . 40 SER N . 27217 2 73 . 1 1 41 41 THR H H 1 7.918 0.00 . 1 . . . . . 41 THR H . 27217 2 74 . 1 1 41 41 THR N N 15 109.294 0.00 . 1 . . . . . 41 THR N . 27217 2 75 . 1 1 42 42 GLY H H 1 7.530 0.00 . 1 . . . . . 42 GLY H . 27217 2 76 . 1 1 42 42 GLY N N 15 109.243 0.00 . 1 . . . . . 42 GLY N . 27217 2 77 . 1 1 43 43 GLU H H 1 7.979 0.00 . 1 . . . . . 43 GLU H . 27217 2 78 . 1 1 43 43 GLU N N 15 119.573 0.00 . 1 . . . . . 43 GLU N . 27217 2 79 . 1 1 44 44 LYS H H 1 9.107 0.00 . 1 . . . . . 44 LYS H . 27217 2 80 . 1 1 44 44 LYS N N 15 119.502 0.00 . 1 . . . . . 44 LYS N . 27217 2 81 . 1 1 45 45 GLY H H 1 7.904 0.00 . 1 . . . . . 45 GLY H . 27217 2 82 . 1 1 45 45 GLY N N 15 106.523 0.00 . 1 . . . . . 45 GLY N . 27217 2 83 . 1 1 46 46 PHE H H 1 6.354 0.00 . 1 . . . . . 46 PHE H . 27217 2 84 . 1 1 46 46 PHE N N 15 114.658 0.00 . 1 . . . . . 46 PHE N . 27217 2 85 . 1 1 47 47 GLY H H 1 7.795 0.00 . 1 . . . . . 47 GLY H . 27217 2 86 . 1 1 47 47 GLY N N 15 105.699 0.00 . 1 . . . . . 47 GLY N . 27217 2 87 . 1 1 48 48 TYR H H 1 6.843 0.00 . 1 . . . . . 48 TYR H . 27217 2 88 . 1 1 48 48 TYR N N 15 114.749 0.00 . 1 . . . . . 48 TYR N . 27217 2 89 . 1 1 49 49 LYS H H 1 8.475 0.00 . 1 . . . . . 49 LYS H . 27217 2 90 . 1 1 49 49 LYS N N 15 126.153 0.00 . 1 . . . . . 49 LYS N . 27217 2 91 . 1 1 50 50 GLY H H 1 9.432 0.00 . 1 . . . . . 50 GLY H . 27217 2 92 . 1 1 50 50 GLY N N 15 118.939 0.00 . 1 . . . . . 50 GLY N . 27217 2 93 . 1 1 51 51 SER H H 1 8.296 0.00 . 1 . . . . . 51 SER H . 27217 2 94 . 1 1 51 51 SER N N 15 117.421 0.00 . 1 . . . . . 51 SER N . 27217 2 95 . 1 1 52 52 CYS H H 1 10.037 0.00 . 1 . . . . . 52 CYS H . 27217 2 96 . 1 1 52 52 CYS N N 15 116.117 0.00 . 1 . . . . . 52 CYS N . 27217 2 97 . 1 1 53 53 PHE H H 1 8.684 0.00 . 1 . . . . . 53 PHE H . 27217 2 98 . 1 1 53 53 PHE N N 15 124.485 0.00 . 1 . . . . . 53 PHE N . 27217 2 99 . 1 1 54 54 HIS H H 1 7.434 0.00 . 1 . . . . . 54 HIS H . 27217 2 100 . 1 1 54 54 HIS N N 15 121.010 0.00 . 1 . . . . . 54 HIS N . 27217 2 101 . 1 1 55 55 ARG H H 1 6.948 0.00 . 1 . . . . . 55 ARG H . 27217 2 102 . 1 1 55 55 ARG N N 15 123.623 0.00 . 1 . . . . . 55 ARG N . 27217 2 103 . 1 1 56 56 ILE H H 1 9.107 0.00 . 1 . . . . . 56 ILE H . 27217 2 104 . 1 1 56 56 ILE N N 15 126.660 0.00 . 1 . . . . . 56 ILE N . 27217 2 105 . 1 1 57 57 ILE H H 1 8.590 0.00 . 1 . . . . . 57 ILE H . 27217 2 106 . 1 1 57 57 ILE N N 15 128.739 0.00 . 1 . . . . . 57 ILE N . 27217 2 107 . 1 1 59 59 GLY H H 1 9.641 0.00 . 1 . . . . . 59 GLY H . 27217 2 108 . 1 1 59 59 GLY N N 15 114.991 0.00 . 1 . . . . . 59 GLY N . 27217 2 109 . 1 1 60 60 PHE H H 1 8.159 0.00 . 1 . . . . . 60 PHE H . 27217 2 110 . 1 1 60 60 PHE N N 15 120.294 0.00 . 1 . . . . . 60 PHE N . 27217 2 111 . 1 1 61 61 MET H H 1 8.039 0.00 . 1 . . . . . 61 MET H . 27217 2 112 . 1 1 61 61 MET N N 15 112.495 0.00 . 1 . . . . . 61 MET N . 27217 2 113 . 1 1 62 62 CYS H H 1 8.316 0.00 . 1 . . . . . 62 CYS H . 27217 2 114 . 1 1 62 62 CYS N N 15 115.098 0.00 . 1 . . . . . 62 CYS N . 27217 2 115 . 1 1 63 63 GLN H H 1 9.448 0.00 . 1 . . . . . 63 GLN H . 27217 2 116 . 1 1 63 63 GLN N N 15 127.075 0.00 . 1 . . . . . 63 GLN N . 27217 2 117 . 1 1 64 64 GLY H H 1 7.158 0.00 . 1 . . . . . 64 GLY H . 27217 2 118 . 1 1 64 64 GLY N N 15 111.481 0.00 . 1 . . . . . 64 GLY N . 27217 2 119 . 1 1 65 65 GLY H H 1 9.581 0.00 . 1 . . . . . 65 GLY H . 27217 2 120 . 1 1 65 65 GLY N N 15 106.299 0.00 . 1 . . . . . 65 GLY N . 27217 2 121 . 1 1 66 66 ASP H H 1 9.922 0.00 . 1 . . . . . 66 ASP H . 27217 2 122 . 1 1 66 66 ASP N N 15 125.107 0.00 . 1 . . . . . 66 ASP N . 27217 2 123 . 1 1 67 67 PHE H H 1 6.644 0.00 . 1 . . . . . 67 PHE H . 27217 2 124 . 1 1 67 67 PHE N N 15 116.793 0.00 . 1 . . . . . 67 PHE N . 27217 2 125 . 1 1 68 68 THR H H 1 7.200 0.00 . 1 . . . . . 68 THR H . 27217 2 126 . 1 1 68 68 THR N N 15 109.687 0.00 . 1 . . . . . 68 THR N . 27217 2 127 . 1 1 69 69 ARG H H 1 8.608 0.00 . 1 . . . . . 69 ARG H . 27217 2 128 . 1 1 69 69 ARG N N 15 122.941 0.00 . 1 . . . . . 69 ARG N . 27217 2 129 . 1 1 70 70 HIS H H 1 6.506 0.00 . 1 . . . . . 70 HIS H . 27217 2 130 . 1 1 70 70 HIS N N 15 111.989 0.00 . 1 . . . . . 70 HIS N . 27217 2 131 . 1 1 71 71 ASN H H 1 7.401 0.00 . 1 . . . . . 71 ASN H . 27217 2 132 . 1 1 71 71 ASN N N 15 113.250 0.00 . 1 . . . . . 71 ASN N . 27217 2 133 . 1 1 72 72 GLY H H 1 9.654 0.00 . 1 . . . . . 72 GLY H . 27217 2 134 . 1 1 72 72 GLY N N 15 111.742 0.00 . 1 . . . . . 72 GLY N . 27217 2 135 . 1 1 73 73 THR H H 1 7.891 0.00 . 1 . . . . . 73 THR H . 27217 2 136 . 1 1 73 73 THR N N 15 113.068 0.00 . 1 . . . . . 73 THR N . 27217 2 137 . 1 1 74 74 GLY H H 1 8.688 0.00 . 1 . . . . . 74 GLY H . 27217 2 138 . 1 1 74 74 GLY N N 15 115.006 0.00 . 1 . . . . . 74 GLY N . 27217 2 139 . 1 1 75 75 GLY H H 1 8.122 0.00 . 1 . . . . . 75 GLY H . 27217 2 140 . 1 1 75 75 GLY N N 15 109.985 0.00 . 1 . . . . . 75 GLY N . 27217 2 141 . 1 1 76 76 LYS H H 1 6.942 0.00 . 1 . . . . . 76 LYS H . 27217 2 142 . 1 1 76 76 LYS N N 15 116.341 0.00 . 1 . . . . . 76 LYS N . 27217 2 143 . 1 1 77 77 SER H H 1 7.702 0.00 . 1 . . . . . 77 SER H . 27217 2 144 . 1 1 77 77 SER N N 15 115.180 0.00 . 1 . . . . . 77 SER N . 27217 2 145 . 1 1 78 78 ILE H H 1 8.530 0.00 . 1 . . . . . 78 ILE H . 27217 2 146 . 1 1 78 78 ILE N N 15 112.072 0.00 . 1 . . . . . 78 ILE N . 27217 2 147 . 1 1 79 79 TYR H H 1 8.026 0.00 . 1 . . . . . 79 TYR H . 27217 2 148 . 1 1 79 79 TYR N N 15 121.883 0.00 . 1 . . . . . 79 TYR N . 27217 2 149 . 1 1 80 80 GLY H H 1 7.028 0.00 . 1 . . . . . 80 GLY H . 27217 2 150 . 1 1 80 80 GLY N N 15 107.514 0.00 . 1 . . . . . 80 GLY N . 27217 2 151 . 1 1 81 81 GLU H H 1 8.980 0.00 . 1 . . . . . 81 GLU H . 27217 2 152 . 1 1 81 81 GLU N N 15 124.517 0.00 . 1 . . . . . 81 GLU N . 27217 2 153 . 1 1 82 82 LYS H H 1 7.865 0.00 . 1 . . . . . 82 LYS H . 27217 2 154 . 1 1 82 82 LYS N N 15 113.377 0.00 . 1 . . . . . 82 LYS N . 27217 2 155 . 1 1 83 83 PHE H H 1 9.130 0.00 . 1 . . . . . 83 PHE H . 27217 2 156 . 1 1 83 83 PHE N N 15 117.371 0.00 . 1 . . . . . 83 PHE N . 27217 2 157 . 1 1 84 84 GLU H H 1 9.217 0.00 . 1 . . . . . 84 GLU H . 27217 2 158 . 1 1 84 84 GLU N N 15 120.462 0.00 . 1 . . . . . 84 GLU N . 27217 2 159 . 1 1 85 85 ASP H H 1 8.600 0.00 . 1 . . . . . 85 ASP H . 27217 2 160 . 1 1 85 85 ASP N N 15 119.697 0.00 . 1 . . . . . 85 ASP N . 27217 2 161 . 1 1 86 86 GLU H H 1 9.489 0.00 . 1 . . . . . 86 GLU H . 27217 2 162 . 1 1 86 86 GLU N N 15 132.970 0.00 . 1 . . . . . 86 GLU N . 27217 2 163 . 1 1 87 87 ASN H H 1 6.987 0.00 . 1 . . . . . 87 ASN H . 27217 2 164 . 1 1 87 87 ASN N N 15 107.768 0.00 . 1 . . . . . 87 ASN N . 27217 2 165 . 1 1 88 88 PHE H H 1 8.332 0.00 . 1 . . . . . 88 PHE H . 27217 2 166 . 1 1 88 88 PHE N N 15 113.785 0.00 . 1 . . . . . 88 PHE N . 27217 2 167 . 1 1 89 89 ILE H H 1 8.268 0.00 . 1 . . . . . 89 ILE H . 27217 2 168 . 1 1 89 89 ILE N N 15 120.683 0.00 . 1 . . . . . 89 ILE N . 27217 2 169 . 1 1 90 90 LEU H H 1 7.595 0.00 . 1 . . . . . 90 LEU H . 27217 2 170 . 1 1 90 90 LEU N N 15 118.276 0.00 . 1 . . . . . 90 LEU N . 27217 2 171 . 1 1 91 91 LYS H H 1 8.185 0.00 . 1 . . . . . 91 LYS H . 27217 2 172 . 1 1 91 91 LYS N N 15 119.754 0.00 . 1 . . . . . 91 LYS N . 27217 2 173 . 1 1 92 92 HIS H H 1 10.301 0.00 . 1 . . . . . 92 HIS H . 27217 2 174 . 1 1 92 92 HIS N N 15 122.706 0.00 . 1 . . . . . 92 HIS N . 27217 2 175 . 1 1 93 93 THR H H 1 7.027 0.00 . 1 . . . . . 93 THR H . 27217 2 176 . 1 1 93 93 THR N N 15 110.812 0.00 . 1 . . . . . 93 THR N . 27217 2 177 . 1 1 94 94 GLY H H 1 7.298 0.00 . 1 . . . . . 94 GLY H . 27217 2 178 . 1 1 94 94 GLY N N 15 108.199 0.00 . 1 . . . . . 94 GLY N . 27217 2 179 . 1 1 96 96 GLY H H 1 8.800 0.00 . 1 . . . . . 96 GLY H . 27217 2 180 . 1 1 96 96 GLY N N 15 111.553 0.00 . 1 . . . . . 96 GLY N . 27217 2 181 . 1 1 97 97 ILE H H 1 7.864 0.00 . 1 . . . . . 97 ILE H . 27217 2 182 . 1 1 97 97 ILE N N 15 122.936 0.00 . 1 . . . . . 97 ILE N . 27217 2 183 . 1 1 98 98 LEU H H 1 7.740 0.00 . 1 . . . . . 98 LEU H . 27217 2 184 . 1 1 98 98 LEU N N 15 128.486 0.00 . 1 . . . . . 98 LEU N . 27217 2 185 . 1 1 99 99 THR H H 1 8.427 0.00 . 1 . . . . . 99 THR H . 27217 2 186 . 1 1 99 99 THR N N 15 120.301 0.00 . 1 . . . . . 99 THR N . 27217 2 187 . 1 1 100 100 MET H H 1 8.512 0.00 . 1 . . . . . 100 MET H . 27217 2 188 . 1 1 100 100 MET N N 15 126.978 0.00 . 1 . . . . . 100 MET N . 27217 2 189 . 1 1 101 101 ALA H H 1 8.029 0.00 . 1 . . . . . 101 ALA H . 27217 2 190 . 1 1 101 101 ALA N N 15 125.865 0.00 . 1 . . . . . 101 ALA N . 27217 2 191 . 1 1 102 102 ASN H H 1 7.762 0.00 . 1 . . . . . 102 ASN H . 27217 2 192 . 1 1 102 102 ASN N N 15 114.069 0.00 . 1 . . . . . 102 ASN N . 27217 2 193 . 1 1 103 103 ALA H H 1 8.789 0.00 . 1 . . . . . 103 ALA H . 27217 2 194 . 1 1 103 103 ALA N N 15 124.691 0.00 . 1 . . . . . 103 ALA N . 27217 2 195 . 1 1 104 104 GLY H H 1 8.018 0.00 . 1 . . . . . 104 GLY H . 27217 2 196 . 1 1 104 104 GLY N N 15 110.026 0.00 . 1 . . . . . 104 GLY N . 27217 2 197 . 1 1 106 106 ASN H H 1 8.784 0.00 . 1 . . . . . 106 ASN H . 27217 2 198 . 1 1 106 106 ASN N N 15 119.934 0.00 . 1 . . . . . 106 ASN N . 27217 2 199 . 1 1 107 107 THR H H 1 10.150 0.00 . 1 . . . . . 107 THR H . 27217 2 200 . 1 1 107 107 THR N N 15 111.461 0.00 . 1 . . . . . 107 THR N . 27217 2 201 . 1 1 108 108 ASN H H 1 7.301 0.00 . 1 . . . . . 108 ASN H . 27217 2 202 . 1 1 108 108 ASN N N 15 121.557 0.00 . 1 . . . . . 108 ASN N . 27217 2 203 . 1 1 109 109 GLY H H 1 9.080 0.00 . 1 . . . . . 109 GLY H . 27217 2 204 . 1 1 109 109 GLY N N 15 111.918 0.00 . 1 . . . . . 109 GLY N . 27217 2 205 . 1 1 110 110 SER H H 1 8.773 0.00 . 1 . . . . . 110 SER H . 27217 2 206 . 1 1 110 110 SER N N 15 118.094 0.00 . 1 . . . . . 110 SER N . 27217 2 207 . 1 1 111 111 GLN H H 1 8.332 0.00 . 1 . . . . . 111 GLN H . 27217 2 208 . 1 1 111 111 GLN N N 15 125.298 0.00 . 1 . . . . . 111 GLN N . 27217 2 209 . 1 1 112 112 PHE H H 1 8.010 0.00 . 1 . . . . . 112 PHE H . 27217 2 210 . 1 1 112 112 PHE N N 15 117.958 0.00 . 1 . . . . . 112 PHE N . 27217 2 211 . 1 1 113 113 PHE H H 1 9.668 0.00 . 1 . . . . . 113 PHE H . 27217 2 212 . 1 1 113 113 PHE N N 15 117.338 0.00 . 1 . . . . . 113 PHE N . 27217 2 213 . 1 1 114 114 ILE H H 1 9.092 0.00 . 1 . . . . . 114 ILE H . 27217 2 214 . 1 1 114 114 ILE N N 15 119.476 0.00 . 1 . . . . . 114 ILE N . 27217 2 215 . 1 1 115 115 SER H H 1 9.892 0.00 . 1 . . . . . 115 SER H . 27217 2 216 . 1 1 115 115 SER N N 15 124.348 0.00 . 1 . . . . . 115 SER N . 27217 2 217 . 1 1 116 116 THR H H 1 8.677 0.00 . 1 . . . . . 116 THR H . 27217 2 218 . 1 1 116 116 THR N N 15 113.540 0.00 . 1 . . . . . 116 THR N . 27217 2 219 . 1 1 117 117 ALA H H 1 7.727 0.00 . 1 . . . . . 117 ALA H . 27217 2 220 . 1 1 117 117 ALA N N 15 123.617 0.00 . 1 . . . . . 117 ALA N . 27217 2 221 . 1 1 118 118 LYS H H 1 8.789 0.00 . 1 . . . . . 118 LYS H . 27217 2 222 . 1 1 118 118 LYS N N 15 121.273 0.00 . 1 . . . . . 118 LYS N . 27217 2 223 . 1 1 119 119 THR H H 1 7.155 0.00 . 1 . . . . . 119 THR H . 27217 2 224 . 1 1 119 119 THR N N 15 119.251 0.00 . 1 . . . . . 119 THR N . 27217 2 225 . 1 1 120 120 GLU H H 1 9.340 0.00 . 1 . . . . . 120 GLU H . 27217 2 226 . 1 1 120 120 GLU N N 15 126.172 0.00 . 1 . . . . . 120 GLU N . 27217 2 227 . 1 1 121 121 TRP H H 1 7.188 0.00 . 1 . . . . . 121 TRP H . 27217 2 228 . 1 1 121 121 TRP HE1 H 1 9.527 0.00 . 1 . . . . . 121 TRP HE1 . 27217 2 229 . 1 1 121 121 TRP N N 15 119.045 0.00 . 1 . . . . . 121 TRP N . 27217 2 230 . 1 1 121 121 TRP NE1 N 15 131.210 0.00 . 1 . . . . . 121 TRP NE1 . 27217 2 231 . 1 1 122 122 LEU H H 1 6.922 0.00 . 1 . . . . . 122 LEU H . 27217 2 232 . 1 1 122 122 LEU N N 15 120.404 0.00 . 1 . . . . . 122 LEU N . 27217 2 233 . 1 1 123 123 ASP H H 1 7.645 0.00 . 1 . . . . . 123 ASP H . 27217 2 234 . 1 1 123 123 ASP N N 15 122.797 0.00 . 1 . . . . . 123 ASP N . 27217 2 235 . 1 1 124 124 GLY H H 1 9.522 0.00 . 1 . . . . . 124 GLY H . 27217 2 236 . 1 1 124 124 GLY N N 15 112.052 0.00 . 1 . . . . . 124 GLY N . 27217 2 237 . 1 1 125 125 LYS H H 1 7.666 0.00 . 1 . . . . . 125 LYS H . 27217 2 238 . 1 1 125 125 LYS N N 15 116.024 0.00 . 1 . . . . . 125 LYS N . 27217 2 239 . 1 1 126 126 HIS H H 1 7.675 0.00 . 1 . . . . . 126 HIS H . 27217 2 240 . 1 1 126 126 HIS N N 15 121.305 0.00 . 1 . . . . . 126 HIS N . 27217 2 241 . 1 1 127 127 VAL H H 1 8.139 0.00 . 1 . . . . . 127 VAL H . 27217 2 242 . 1 1 127 127 VAL N N 15 125.415 0.00 . 1 . . . . . 127 VAL N . 27217 2 243 . 1 1 128 128 VAL H H 1 9.352 0.00 . 1 . . . . . 128 VAL H . 27217 2 244 . 1 1 128 128 VAL N N 15 134.045 0.00 . 1 . . . . . 128 VAL N . 27217 2 245 . 1 1 129 129 PHE H H 1 8.174 0.00 . 1 . . . . . 129 PHE H . 27217 2 246 . 1 1 129 129 PHE N N 15 118.690 0.00 . 1 . . . . . 129 PHE N . 27217 2 247 . 1 1 130 130 GLY H H 1 7.314 0.00 . 1 . . . . . 130 GLY H . 27217 2 248 . 1 1 130 130 GLY N N 15 112.150 0.00 . 1 . . . . . 130 GLY N . 27217 2 249 . 1 1 131 131 LYS H H 1 8.344 0.00 . 1 . . . . . 131 LYS H . 27217 2 250 . 1 1 131 131 LYS N N 15 115.785 0.00 . 1 . . . . . 131 LYS N . 27217 2 251 . 1 1 132 132 VAL H H 1 9.250 0.00 . 1 . . . . . 132 VAL H . 27217 2 252 . 1 1 132 132 VAL N N 15 124.260 0.00 . 1 . . . . . 132 VAL N . 27217 2 253 . 1 1 133 133 LYS H H 1 9.466 0.00 . 1 . . . . . 133 LYS H . 27217 2 254 . 1 1 133 133 LYS N N 15 132.744 0.00 . 1 . . . . . 133 LYS N . 27217 2 255 . 1 1 134 134 GLU H H 1 7.518 0.00 . 1 . . . . . 134 GLU H . 27217 2 256 . 1 1 134 134 GLU N N 15 119.471 0.00 . 1 . . . . . 134 GLU N . 27217 2 257 . 1 1 135 135 GLY H H 1 8.698 0.00 . 1 . . . . . 135 GLY H . 27217 2 258 . 1 1 135 135 GLY N N 15 109.085 0.00 . 1 . . . . . 135 GLY N . 27217 2 259 . 1 1 136 136 MET H H 1 8.864 0.00 . 1 . . . . . 136 MET H . 27217 2 260 . 1 1 136 136 MET N N 15 123.715 0.00 . 1 . . . . . 136 MET N . 27217 2 261 . 1 1 137 137 ASN H H 1 8.883 0.00 . 1 . . . . . 137 ASN H . 27217 2 262 . 1 1 137 137 ASN N N 15 115.471 0.00 . 1 . . . . . 137 ASN N . 27217 2 263 . 1 1 138 138 ILE H H 1 7.617 0.00 . 1 . . . . . 138 ILE H . 27217 2 264 . 1 1 138 138 ILE N N 15 125.291 0.00 . 1 . . . . . 138 ILE N . 27217 2 265 . 1 1 139 139 VAL H H 1 7.186 0.00 . 1 . . . . . 139 VAL H . 27217 2 266 . 1 1 139 139 VAL N N 15 123.113 0.00 . 1 . . . . . 139 VAL N . 27217 2 267 . 1 1 140 140 GLU H H 1 8.295 0.00 . 1 . . . . . 140 GLU H . 27217 2 268 . 1 1 140 140 GLU N N 15 118.287 0.00 . 1 . . . . . 140 GLU N . 27217 2 269 . 1 1 141 141 ALA H H 1 7.475 0.00 . 1 . . . . . 141 ALA H . 27217 2 270 . 1 1 141 141 ALA N N 15 122.150 0.00 . 1 . . . . . 141 ALA N . 27217 2 271 . 1 1 142 142 MET H H 1 8.270 0.00 . 1 . . . . . 142 MET H . 27217 2 272 . 1 1 142 142 MET N N 15 118.969 0.00 . 1 . . . . . 142 MET N . 27217 2 273 . 1 1 143 143 GLU H H 1 7.836 0.00 . 1 . . . . . 143 GLU H . 27217 2 274 . 1 1 143 143 GLU N N 15 117.772 0.00 . 1 . . . . . 143 GLU N . 27217 2 275 . 1 1 144 144 ARG H H 1 6.928 0.00 . 1 . . . . . 144 ARG H . 27217 2 276 . 1 1 144 144 ARG N N 15 115.011 0.00 . 1 . . . . . 144 ARG N . 27217 2 277 . 1 1 145 145 PHE H H 1 7.637 0.00 . 1 . . . . . 145 PHE H . 27217 2 278 . 1 1 145 145 PHE N N 15 116.418 0.00 . 1 . . . . . 145 PHE N . 27217 2 279 . 1 1 146 146 GLY H H 1 7.491 0.00 . 1 . . . . . 146 GLY H . 27217 2 280 . 1 1 146 146 GLY N N 15 105.568 0.00 . 1 . . . . . 146 GLY N . 27217 2 281 . 1 1 147 147 SER H H 1 8.123 0.00 . 1 . . . . . 147 SER H . 27217 2 282 . 1 1 147 147 SER N N 15 110.937 0.00 . 1 . . . . . 147 SER N . 27217 2 283 . 1 1 148 148 ARG H H 1 8.854 0.00 . 1 . . . . . 148 ARG H . 27217 2 284 . 1 1 148 148 ARG N N 15 121.198 0.00 . 1 . . . . . 148 ARG N . 27217 2 285 . 1 1 149 149 ASN H H 1 7.900 0.00 . 1 . . . . . 149 ASN H . 27217 2 286 . 1 1 149 149 ASN N N 15 112.771 0.00 . 1 . . . . . 149 ASN N . 27217 2 287 . 1 1 150 150 GLY H H 1 8.013 0.00 . 1 . . . . . 150 GLY H . 27217 2 288 . 1 1 150 150 GLY N N 15 111.464 0.00 . 1 . . . . . 150 GLY N . 27217 2 289 . 1 1 151 151 LYS H H 1 7.544 0.00 . 1 . . . . . 151 LYS H . 27217 2 290 . 1 1 151 151 LYS N N 15 120.954 0.00 . 1 . . . . . 151 LYS N . 27217 2 291 . 1 1 152 152 THR H H 1 8.888 0.00 . 1 . . . . . 152 THR H . 27217 2 292 . 1 1 152 152 THR N N 15 118.101 0.00 . 1 . . . . . 152 THR N . 27217 2 293 . 1 1 153 153 SER H H 1 9.421 0.00 . 1 . . . . . 153 SER H . 27217 2 294 . 1 1 153 153 SER N N 15 118.000 0.00 . 1 . . . . . 153 SER N . 27217 2 295 . 1 1 154 154 LYS H H 1 7.489 0.00 . 1 . . . . . 154 LYS H . 27217 2 296 . 1 1 154 154 LYS N N 15 120.214 0.00 . 1 . . . . . 154 LYS N . 27217 2 297 . 1 1 155 155 LYS H H 1 8.750 0.00 . 1 . . . . . 155 LYS H . 27217 2 298 . 1 1 155 155 LYS N N 15 122.590 0.00 . 1 . . . . . 155 LYS N . 27217 2 299 . 1 1 156 156 ILE H H 1 9.617 0.00 . 1 . . . . . 156 ILE H . 27217 2 300 . 1 1 156 156 ILE N N 15 135.676 0.00 . 1 . . . . . 156 ILE N . 27217 2 301 . 1 1 157 157 THR H H 1 9.221 0.00 . 1 . . . . . 157 THR H . 27217 2 302 . 1 1 157 157 THR N N 15 117.658 0.00 . 1 . . . . . 157 THR N . 27217 2 303 . 1 1 158 158 ILE H H 1 8.540 0.00 . 1 . . . . . 158 ILE H . 27217 2 304 . 1 1 158 158 ILE N N 15 122.229 0.00 . 1 . . . . . 158 ILE N . 27217 2 305 . 1 1 159 159 ALA H H 1 8.834 0.00 . 1 . . . . . 159 ALA H . 27217 2 306 . 1 1 159 159 ALA N N 15 133.216 0.00 . 1 . . . . . 159 ALA N . 27217 2 307 . 1 1 160 160 ASP H H 1 8.014 0.00 . 1 . . . . . 160 ASP H . 27217 2 308 . 1 1 160 160 ASP N N 15 112.473 0.00 . 1 . . . . . 160 ASP N . 27217 2 309 . 1 1 161 161 CYS H H 1 8.537 0.00 . 1 . . . . . 161 CYS H . 27217 2 310 . 1 1 161 161 CYS N N 15 117.105 0.00 . 1 . . . . . 161 CYS N . 27217 2 311 . 1 1 162 162 GLY H H 1 6.772 0.00 . 1 . . . . . 162 GLY H . 27217 2 312 . 1 1 162 162 GLY N N 15 105.263 0.00 . 1 . . . . . 162 GLY N . 27217 2 313 . 1 1 163 163 GLN H H 1 9.091 0.00 . 1 . . . . . 163 GLN H . 27217 2 314 . 1 1 163 163 GLN N N 15 121.964 0.00 . 1 . . . . . 163 GLN N . 27217 2 315 . 1 1 164 164 LEU H H 1 8.555 0.00 . 1 . . . . . 164 LEU H . 27217 2 316 . 1 1 164 164 LEU N N 15 127.051 0.00 . 1 . . . . . 164 LEU N . 27217 2 317 . 1 1 165 165 GLU H H 1 8.166 0.00 . 1 . . . . . 165 GLU H . 27217 2 318 . 1 1 165 165 GLU N N 15 127.247 0.00 . 1 . . . . . 165 GLU N . 27217 2 stop_ save_