data_27290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27290 _Entry.Title ; (1)H, (13)C, (15)N resonance assignment of human YAP 50-171 fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-24 _Entry.Accession_date 2017-10-24 _Entry.Last_release_date 2017-10-24 _Entry.Original_release_date 2017-10-24 _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 Michael Feichtinger . . . . 27290 2 Tomas Sara . . . . 27290 3 Gerald Platzer . . . . 27290 4 Borja Mateos . . . . 27290 5 Fedir Bokhovchuk . . . . 27290 6 Patrick Chene . . . . 27290 7 Robert Konrat . . . . 27290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 27290 '15N chemical shifts' 102 27290 '1H chemical shifts' 101 27290 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-10-24 update BMRB 'update entry citation' 27290 1 . . 2018-01-25 2017-10-24 original author 'original release' 27290 stop_ save_ ############### # Citations # ############### save_Assignment_paper _Citation.Sf_category citations _Citation.Sf_framecode Assignment_paper _Citation.Entry_ID 27290 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29372459 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N resonance assignment of human YAP 50-171 fragment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 179 _Citation.Page_last 182 _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 Michael Feichtinger . . . . 27290 1 2 Tomas Sara . . . . 27290 1 3 Gerald Platzer . . . . 27290 1 4 Borja Mateos . . . . 27290 1 5 Fedir Bokhovchuk . . . . 27290 1 6 Patrick Chene . . . . 27290 1 7 Robert Konrat . . . . 27290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27290 _Assembly.ID 1 _Assembly.Name yap _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human YAP 50-171 fragment' 1 $YAP_50-171 A . yes 'intrinsically disordered' no no . . . 27290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YAP_50-171 _Entity.Sf_category entity _Entity.Sf_framecode YAP_50-171 _Entity.Entry_ID 27290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YAP_50-171 _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 ; AGHQIVHVRGDSETDLEALF NAVMNPKTANVPQTVPMRLR KLPDSFFKPPEPKSHSRQAS TDAGTAGALTPQHVRAHSSP ASLQLGAVSPGTLTPTGVVS GPAATPTAQHLRQSSFEIPD DV ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 50-171 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 50 ALA . 27290 1 2 51 GLY . 27290 1 3 52 HIS . 27290 1 4 53 GLN . 27290 1 5 54 ILE . 27290 1 6 55 VAL . 27290 1 7 56 HIS . 27290 1 8 57 VAL . 27290 1 9 58 ARG . 27290 1 10 59 GLY . 27290 1 11 60 ASP . 27290 1 12 61 SER . 27290 1 13 62 GLU . 27290 1 14 63 THR . 27290 1 15 64 ASP . 27290 1 16 65 LEU . 27290 1 17 66 GLU . 27290 1 18 67 ALA . 27290 1 19 68 LEU . 27290 1 20 69 PHE . 27290 1 21 70 ASN . 27290 1 22 71 ALA . 27290 1 23 72 VAL . 27290 1 24 73 MET . 27290 1 25 74 ASN . 27290 1 26 75 PRO . 27290 1 27 76 LYS . 27290 1 28 77 THR . 27290 1 29 78 ALA . 27290 1 30 79 ASN . 27290 1 31 80 VAL . 27290 1 32 81 PRO . 27290 1 33 82 GLN . 27290 1 34 83 THR . 27290 1 35 84 VAL . 27290 1 36 85 PRO . 27290 1 37 86 MET . 27290 1 38 87 ARG . 27290 1 39 88 LEU . 27290 1 40 89 ARG . 27290 1 41 90 LYS . 27290 1 42 91 LEU . 27290 1 43 92 PRO . 27290 1 44 93 ASP . 27290 1 45 94 SER . 27290 1 46 95 PHE . 27290 1 47 96 PHE . 27290 1 48 97 LYS . 27290 1 49 98 PRO . 27290 1 50 99 PRO . 27290 1 51 100 GLU . 27290 1 52 101 PRO . 27290 1 53 102 LYS . 27290 1 54 103 SER . 27290 1 55 104 HIS . 27290 1 56 105 SER . 27290 1 57 106 ARG . 27290 1 58 107 GLN . 27290 1 59 108 ALA . 27290 1 60 109 SER . 27290 1 61 110 THR . 27290 1 62 111 ASP . 27290 1 63 112 ALA . 27290 1 64 113 GLY . 27290 1 65 114 THR . 27290 1 66 115 ALA . 27290 1 67 116 GLY . 27290 1 68 117 ALA . 27290 1 69 118 LEU . 27290 1 70 119 THR . 27290 1 71 120 PRO . 27290 1 72 121 GLN . 27290 1 73 122 HIS . 27290 1 74 123 VAL . 27290 1 75 124 ARG . 27290 1 76 125 ALA . 27290 1 77 126 HIS . 27290 1 78 127 SER . 27290 1 79 128 SER . 27290 1 80 129 PRO . 27290 1 81 130 ALA . 27290 1 82 131 SER . 27290 1 83 132 LEU . 27290 1 84 133 GLN . 27290 1 85 134 LEU . 27290 1 86 135 GLY . 27290 1 87 136 ALA . 27290 1 88 137 VAL . 27290 1 89 138 SER . 27290 1 90 139 PRO . 27290 1 91 140 GLY . 27290 1 92 141 THR . 27290 1 93 142 LEU . 27290 1 94 143 THR . 27290 1 95 144 PRO . 27290 1 96 145 THR . 27290 1 97 146 GLY . 27290 1 98 147 VAL . 27290 1 99 148 VAL . 27290 1 100 149 SER . 27290 1 101 150 GLY . 27290 1 102 151 PRO . 27290 1 103 152 ALA . 27290 1 104 153 ALA . 27290 1 105 154 THR . 27290 1 106 155 PRO . 27290 1 107 156 THR . 27290 1 108 157 ALA . 27290 1 109 158 GLN . 27290 1 110 159 HIS . 27290 1 111 160 LEU . 27290 1 112 161 ARG . 27290 1 113 162 GLN . 27290 1 114 163 SER . 27290 1 115 164 SER . 27290 1 116 165 PHE . 27290 1 117 166 GLU . 27290 1 118 167 ILE . 27290 1 119 168 PRO . 27290 1 120 169 ASP . 27290 1 121 170 ASP . 27290 1 122 171 VAL . 27290 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 . ALA 1 1 27290 1 . GLY 2 2 27290 1 . HIS 3 3 27290 1 . GLN 4 4 27290 1 . ILE 5 5 27290 1 . VAL 6 6 27290 1 . HIS 7 7 27290 1 . VAL 8 8 27290 1 . ARG 9 9 27290 1 . GLY 10 10 27290 1 . ASP 11 11 27290 1 . SER 12 12 27290 1 . GLU 13 13 27290 1 . THR 14 14 27290 1 . ASP 15 15 27290 1 . LEU 16 16 27290 1 . GLU 17 17 27290 1 . ALA 18 18 27290 1 . LEU 19 19 27290 1 . PHE 20 20 27290 1 . ASN 21 21 27290 1 . ALA 22 22 27290 1 . VAL 23 23 27290 1 . MET 24 24 27290 1 . ASN 25 25 27290 1 . PRO 26 26 27290 1 . LYS 27 27 27290 1 . THR 28 28 27290 1 . ALA 29 29 27290 1 . ASN 30 30 27290 1 . VAL 31 31 27290 1 . PRO 32 32 27290 1 . GLN 33 33 27290 1 . THR 34 34 27290 1 . VAL 35 35 27290 1 . PRO 36 36 27290 1 . MET 37 37 27290 1 . ARG 38 38 27290 1 . LEU 39 39 27290 1 . ARG 40 40 27290 1 . LYS 41 41 27290 1 . LEU 42 42 27290 1 . PRO 43 43 27290 1 . ASP 44 44 27290 1 . SER 45 45 27290 1 . PHE 46 46 27290 1 . PHE 47 47 27290 1 . LYS 48 48 27290 1 . PRO 49 49 27290 1 . PRO 50 50 27290 1 . GLU 51 51 27290 1 . PRO 52 52 27290 1 . LYS 53 53 27290 1 . SER 54 54 27290 1 . HIS 55 55 27290 1 . SER 56 56 27290 1 . ARG 57 57 27290 1 . GLN 58 58 27290 1 . ALA 59 59 27290 1 . SER 60 60 27290 1 . THR 61 61 27290 1 . ASP 62 62 27290 1 . ALA 63 63 27290 1 . GLY 64 64 27290 1 . THR 65 65 27290 1 . ALA 66 66 27290 1 . GLY 67 67 27290 1 . ALA 68 68 27290 1 . LEU 69 69 27290 1 . THR 70 70 27290 1 . PRO 71 71 27290 1 . GLN 72 72 27290 1 . HIS 73 73 27290 1 . VAL 74 74 27290 1 . ARG 75 75 27290 1 . ALA 76 76 27290 1 . HIS 77 77 27290 1 . SER 78 78 27290 1 . SER 79 79 27290 1 . PRO 80 80 27290 1 . ALA 81 81 27290 1 . SER 82 82 27290 1 . LEU 83 83 27290 1 . GLN 84 84 27290 1 . LEU 85 85 27290 1 . GLY 86 86 27290 1 . ALA 87 87 27290 1 . VAL 88 88 27290 1 . SER 89 89 27290 1 . PRO 90 90 27290 1 . GLY 91 91 27290 1 . THR 92 92 27290 1 . LEU 93 93 27290 1 . THR 94 94 27290 1 . PRO 95 95 27290 1 . THR 96 96 27290 1 . GLY 97 97 27290 1 . VAL 98 98 27290 1 . VAL 99 99 27290 1 . SER 100 100 27290 1 . GLY 101 101 27290 1 . PRO 102 102 27290 1 . ALA 103 103 27290 1 . ALA 104 104 27290 1 . THR 105 105 27290 1 . PRO 106 106 27290 1 . THR 107 107 27290 1 . ALA 108 108 27290 1 . GLN 109 109 27290 1 . HIS 110 110 27290 1 . LEU 111 111 27290 1 . ARG 112 112 27290 1 . GLN 113 113 27290 1 . SER 114 114 27290 1 . SER 115 115 27290 1 . PHE 116 116 27290 1 . GLU 117 117 27290 1 . ILE 118 118 27290 1 . PRO 119 119 27290 1 . ASP 120 120 27290 1 . ASP 121 121 27290 1 . VAL 122 122 27290 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 27290 _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 $YAP_50-171 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27290 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 27290 _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 $YAP_50-171 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PETM14 . . . 27290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27290 _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 'YAP 50-171' '[U-95% 13C; U-90% 15N]' . . 1 $YAP_50-171 . . 0.5 . . mM . . . . 27290 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27290 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27290 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27290 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 27290 _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' 171 . mM 27290 1 pH 6 . pH 27290 1 pressure 1 . atm 27290 1 temperature 298 . K 27290 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27290 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27290 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27290 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27290 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27290 _Software.ID 3 _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' . . 27290 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27290 3 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 27290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27290 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27290 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 27290 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 1 4 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 1 5 '3D HN(COCA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27290 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 27290 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27290 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27290 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27290 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27290 1 2 '3D HNCACB' . . . 27290 1 3 '3D HNCO' . . . 27290 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 1 1 ALA C C 13 178.258 0.000 . 1 . . . . . 50 ALA C . 27290 1 2 . 1 1 1 1 ALA CA C 13 52.717 0.000 . 1 . . . . . 50 ALA CA . 27290 1 3 . 1 1 1 1 ALA CB C 13 19.308 0.000 . 1 . . . . . 50 ALA CB . 27290 1 4 . 1 1 1 1 ALA N N 15 125.274 0.001 . 1 . . . . . 50 ALA N . 27290 1 5 . 1 1 2 2 GLY H H 1 8.277 0.005 . 1 . . . . . 51 GLY H . 27290 1 6 . 1 1 2 2 GLY C C 13 173.996 0.000 . 1 . . . . . 51 GLY C . 27290 1 7 . 1 1 2 2 GLY CA C 13 45.350 0.000 . 1 . . . . . 51 GLY CA . 27290 1 8 . 1 1 2 2 GLY N N 15 108.536 0.009 . 1 . . . . . 51 GLY N . 27290 1 9 . 1 1 3 3 HIS H H 1 8.224 0.000 . 1 . . . . . 52 HIS H . 27290 1 10 . 1 1 3 3 HIS C C 13 174.539 0.000 . 1 . . . . . 52 HIS C . 27290 1 11 . 1 1 3 3 HIS N N 15 119.036 0.000 . 1 . . . . . 52 HIS N . 27290 1 12 . 1 1 4 4 GLN H H 1 8.375 0.001 . 1 . . . . . 53 GLN H . 27290 1 13 . 1 1 4 4 GLN C C 13 175.553 0.000 . 1 . . . . . 53 GLN C . 27290 1 14 . 1 1 4 4 GLN CA C 13 55.896 0.000 . 1 . . . . . 53 GLN CA . 27290 1 15 . 1 1 4 4 GLN CB C 13 29.690 0.000 . 1 . . . . . 53 GLN CB . 27290 1 16 . 1 1 4 4 GLN N N 15 122.567 0.003 . 1 . . . . . 53 GLN N . 27290 1 17 . 1 1 5 5 ILE H H 1 8.223 0.000 . 1 . . . . . 54 ILE H . 27290 1 18 . 1 1 5 5 ILE C C 13 175.941 0.000 . 1 . . . . . 54 ILE C . 27290 1 19 . 1 1 5 5 ILE CA C 13 61.323 0.000 . 1 . . . . . 54 ILE CA . 27290 1 20 . 1 1 5 5 ILE CB C 13 38.479 0.000 . 1 . . . . . 54 ILE CB . 27290 1 21 . 1 1 5 5 ILE N N 15 123.688 0.002 . 1 . . . . . 54 ILE N . 27290 1 22 . 1 1 6 6 VAL H H 1 8.153 0.001 . 1 . . . . . 55 VAL H . 27290 1 23 . 1 1 6 6 VAL C C 13 175.617 0.000 . 1 . . . . . 55 VAL C . 27290 1 24 . 1 1 6 6 VAL CA C 13 62.108 0.000 . 1 . . . . . 55 VAL CA . 27290 1 25 . 1 1 6 6 VAL CB C 13 32.850 0.000 . 1 . . . . . 55 VAL CB . 27290 1 26 . 1 1 6 6 VAL N N 15 125.579 0.005 . 1 . . . . . 55 VAL N . 27290 1 27 . 1 1 7 7 HIS H H 1 8.551 0.003 . 1 . . . . . 56 HIS H . 27290 1 28 . 1 1 7 7 HIS C C 13 174.438 0.000 . 1 . . . . . 56 HIS C . 27290 1 29 . 1 1 7 7 HIS CA C 13 55.444 0.000 . 1 . . . . . 56 HIS CA . 27290 1 30 . 1 1 7 7 HIS CB C 13 29.646 0.000 . 1 . . . . . 56 HIS CB . 27290 1 31 . 1 1 7 7 HIS N N 15 124.425 0.004 . 1 . . . . . 56 HIS N . 27290 1 32 . 1 1 8 8 VAL H H 1 8.255 0.001 . 1 . . . . . 57 VAL H . 27290 1 33 . 1 1 8 8 VAL C C 13 175.823 0.000 . 1 . . . . . 57 VAL C . 27290 1 34 . 1 1 8 8 VAL CA C 13 62.097 0.000 . 1 . . . . . 57 VAL CA . 27290 1 35 . 1 1 8 8 VAL CB C 13 32.920 0.000 . 1 . . . . . 57 VAL CB . 27290 1 36 . 1 1 8 8 VAL N N 15 123.398 0.001 . 1 . . . . . 57 VAL N . 27290 1 37 . 1 1 9 9 ARG H H 1 8.449 0.001 . 1 . . . . . 58 ARG H . 27290 1 38 . 1 1 9 9 ARG C C 13 176.760 0.000 . 1 . . . . . 58 ARG C . 27290 1 39 . 1 1 9 9 ARG CA C 13 56.439 0.000 . 1 . . . . . 58 ARG CA . 27290 1 40 . 1 1 9 9 ARG CB C 13 30.786 0.000 . 1 . . . . . 58 ARG CB . 27290 1 41 . 1 1 9 9 ARG N N 15 125.499 0.002 . 1 . . . . . 58 ARG N . 27290 1 42 . 1 1 10 10 GLY H H 1 8.499 0.003 . 1 . . . . . 59 GLY H . 27290 1 43 . 1 1 10 10 GLY C C 13 174.010 0.000 . 1 . . . . . 59 GLY C . 27290 1 44 . 1 1 10 10 GLY CA C 13 45.292 0.000 . 1 . . . . . 59 GLY CA . 27290 1 45 . 1 1 10 10 GLY N N 15 111.679 0.001 . 1 . . . . . 59 GLY N . 27290 1 46 . 1 1 11 11 ASP H H 1 8.251 0.000 . 1 . . . . . 60 ASP H . 27290 1 47 . 1 1 11 11 ASP C C 13 176.558 0.000 . 1 . . . . . 60 ASP C . 27290 1 48 . 1 1 11 11 ASP CA C 13 54.559 0.000 . 1 . . . . . 60 ASP CA . 27290 1 49 . 1 1 11 11 ASP CB C 13 41.159 0.000 . 1 . . . . . 60 ASP CB . 27290 1 50 . 1 1 11 11 ASP N N 15 121.019 0.001 . 1 . . . . . 60 ASP N . 27290 1 51 . 1 1 12 12 SER H H 1 8.262 0.001 . 1 . . . . . 61 SER H . 27290 1 52 . 1 1 12 12 SER C C 13 174.818 0.000 . 1 . . . . . 61 SER C . 27290 1 53 . 1 1 12 12 SER CA C 13 58.830 0.000 . 1 . . . . . 61 SER CA . 27290 1 54 . 1 1 12 12 SER CB C 13 63.872 0.000 . 1 . . . . . 61 SER CB . 27290 1 55 . 1 1 12 12 SER N N 15 115.871 0.003 . 1 . . . . . 61 SER N . 27290 1 56 . 1 1 13 13 GLU H H 1 8.413 0.003 . 1 . . . . . 62 GLU H . 27290 1 57 . 1 1 13 13 GLU C C 13 176.921 0.000 . 1 . . . . . 62 GLU C . 27290 1 58 . 1 1 13 13 GLU CA C 13 57.389 0.000 . 1 . . . . . 62 GLU CA . 27290 1 59 . 1 1 13 13 GLU CB C 13 30.049 0.000 . 1 . . . . . 62 GLU CB . 27290 1 60 . 1 1 13 13 GLU N N 15 123.019 0.007 . 1 . . . . . 62 GLU N . 27290 1 61 . 1 1 14 14 THR H H 1 8.056 0.001 . 1 . . . . . 63 THR H . 27290 1 62 . 1 1 14 14 THR C C 13 174.501 0.000 . 1 . . . . . 63 THR C . 27290 1 63 . 1 1 14 14 THR CA C 13 62.589 0.000 . 1 . . . . . 63 THR CA . 27290 1 64 . 1 1 14 14 THR CB C 13 69.903 0.000 . 1 . . . . . 63 THR CB . 27290 1 65 . 1 1 14 14 THR N N 15 114.959 0.003 . 1 . . . . . 63 THR N . 27290 1 66 . 1 1 15 15 ASP H H 1 8.274 0.002 . 1 . . . . . 64 ASP H . 27290 1 67 . 1 1 15 15 ASP C C 13 176.713 0.000 . 1 . . . . . 64 ASP C . 27290 1 68 . 1 1 15 15 ASP CA C 13 54.680 0.000 . 1 . . . . . 64 ASP CA . 27290 1 69 . 1 1 15 15 ASP CB C 13 40.773 0.000 . 1 . . . . . 64 ASP CB . 27290 1 70 . 1 1 15 15 ASP N N 15 123.711 0.001 . 1 . . . . . 64 ASP N . 27290 1 71 . 1 1 16 16 LEU H H 1 8.137 0.003 . 1 . . . . . 65 LEU H . 27290 1 72 . 1 1 16 16 LEU C C 13 178.371 0.000 . 1 . . . . . 65 LEU C . 27290 1 73 . 1 1 16 16 LEU CA C 13 56.440 0.000 . 1 . . . . . 65 LEU CA . 27290 1 74 . 1 1 16 16 LEU CB C 13 42.027 0.000 . 1 . . . . . 65 LEU CB . 27290 1 75 . 1 1 16 16 LEU N N 15 123.332 0.003 . 1 . . . . . 65 LEU N . 27290 1 76 . 1 1 17 17 GLU H H 1 8.180 0.003 . 1 . . . . . 66 GLU H . 27290 1 77 . 1 1 17 17 GLU C C 13 177.241 0.000 . 1 . . . . . 66 GLU C . 27290 1 78 . 1 1 17 17 GLU CA C 13 58.067 0.000 . 1 . . . . . 66 GLU CA . 27290 1 79 . 1 1 17 17 GLU CB C 13 29.543 0.000 . 1 . . . . . 66 GLU CB . 27290 1 80 . 1 1 17 17 GLU N N 15 120.540 0.006 . 1 . . . . . 66 GLU N . 27290 1 81 . 1 1 18 18 ALA H H 1 7.884 0.002 . 1 . . . . . 67 ALA H . 27290 1 82 . 1 1 18 18 ALA C C 13 178.628 0.000 . 1 . . . . . 67 ALA C . 27290 1 83 . 1 1 18 18 ALA CA C 13 53.487 0.000 . 1 . . . . . 67 ALA CA . 27290 1 84 . 1 1 18 18 ALA CB C 13 18.756 0.000 . 1 . . . . . 67 ALA CB . 27290 1 85 . 1 1 18 18 ALA N N 15 123.231 0.004 . 1 . . . . . 67 ALA N . 27290 1 86 . 1 1 19 19 LEU H H 1 7.810 0.001 . 1 . . . . . 68 LEU H . 27290 1 87 . 1 1 19 19 LEU C C 13 177.846 0.000 . 1 . . . . . 68 LEU C . 27290 1 88 . 1 1 19 19 LEU CA C 13 56.281 0.000 . 1 . . . . . 68 LEU CA . 27290 1 89 . 1 1 19 19 LEU CB C 13 42.164 0.000 . 1 . . . . . 68 LEU CB . 27290 1 90 . 1 1 19 19 LEU N N 15 120.205 0.004 . 1 . . . . . 68 LEU N . 27290 1 91 . 1 1 20 20 PHE H H 1 7.971 0.003 . 1 . . . . . 69 PHE H . 27290 1 92 . 1 1 20 20 PHE C C 13 176.096 0.000 . 1 . . . . . 69 PHE C . 27290 1 93 . 1 1 20 20 PHE CA C 13 58.841 0.000 . 1 . . . . . 69 PHE CA . 27290 1 94 . 1 1 20 20 PHE CB C 13 39.167 0.000 . 1 . . . . . 69 PHE CB . 27290 1 95 . 1 1 20 20 PHE N N 15 119.844 0.005 . 1 . . . . . 69 PHE N . 27290 1 96 . 1 1 21 21 ASN H H 1 8.118 0.001 . 1 . . . . . 70 ASN H . 27290 1 97 . 1 1 21 21 ASN C C 13 175.122 0.000 . 1 . . . . . 70 ASN C . 27290 1 98 . 1 1 21 21 ASN CA C 13 53.868 0.000 . 1 . . . . . 70 ASN CA . 27290 1 99 . 1 1 21 21 ASN CB C 13 38.931 0.000 . 1 . . . . . 70 ASN CB . 27290 1 100 . 1 1 21 21 ASN N N 15 119.789 0.004 . 1 . . . . . 70 ASN N . 27290 1 101 . 1 1 22 22 ALA H H 1 7.946 0.001 . 1 . . . . . 71 ALA H . 27290 1 102 . 1 1 22 22 ALA C C 13 178.024 0.000 . 1 . . . . . 71 ALA C . 27290 1 103 . 1 1 22 22 ALA CA C 13 53.194 0.000 . 1 . . . . . 71 ALA CA . 27290 1 104 . 1 1 22 22 ALA CB C 13 19.213 0.000 . 1 . . . . . 71 ALA CB . 27290 1 105 . 1 1 22 22 ALA N N 15 123.943 0.001 . 1 . . . . . 71 ALA N . 27290 1 106 . 1 1 23 23 VAL H H 1 7.843 0.001 . 1 . . . . . 72 VAL H . 27290 1 107 . 1 1 23 23 VAL C C 13 176.385 0.000 . 1 . . . . . 72 VAL C . 27290 1 108 . 1 1 23 23 VAL CA C 13 62.829 0.000 . 1 . . . . . 72 VAL CA . 27290 1 109 . 1 1 23 23 VAL CB C 13 32.600 0.000 . 1 . . . . . 72 VAL CB . 27290 1 110 . 1 1 23 23 VAL N N 15 118.299 0.005 . 1 . . . . . 72 VAL N . 27290 1 111 . 1 1 24 24 MET H H 1 8.110 0.001 . 1 . . . . . 73 MET H . 27290 1 112 . 1 1 24 24 MET C C 13 175.618 0.000 . 1 . . . . . 73 MET C . 27290 1 113 . 1 1 24 24 MET CA C 13 55.394 0.000 . 1 . . . . . 73 MET CA . 27290 1 114 . 1 1 24 24 MET CB C 13 32.622 0.000 . 1 . . . . . 73 MET CB . 27290 1 115 . 1 1 24 24 MET N N 15 122.622 0.006 . 1 . . . . . 73 MET N . 27290 1 116 . 1 1 25 25 ASN H H 1 8.223 0.002 . 1 . . . . . 74 ASN H . 27290 1 117 . 1 1 25 25 ASN CA C 13 51.433 0.000 . 1 . . . . . 74 ASN CA . 27290 1 118 . 1 1 25 25 ASN CB C 13 38.955 0.000 . 1 . . . . . 74 ASN CB . 27290 1 119 . 1 1 25 25 ASN N N 15 120.990 0.001 . 1 . . . . . 74 ASN N . 27290 1 120 . 1 1 28 28 THR H H 1 7.873 0.001 . 1 . . . . . 77 THR H . 27290 1 121 . 1 1 28 28 THR C C 13 174.240 0.000 . 1 . . . . . 77 THR C . 27290 1 122 . 1 1 28 28 THR CA C 13 62.278 0.000 . 1 . . . . . 77 THR CA . 27290 1 123 . 1 1 28 28 THR CB C 13 69.957 0.000 . 1 . . . . . 77 THR CB . 27290 1 124 . 1 1 28 28 THR N N 15 114.434 0.004 . 1 . . . . . 77 THR N . 27290 1 125 . 1 1 29 29 ALA H H 1 8.129 0.001 . 1 . . . . . 78 ALA H . 27290 1 126 . 1 1 29 29 ALA C C 13 177.279 0.000 . 1 . . . . . 78 ALA C . 27290 1 127 . 1 1 29 29 ALA CA C 13 52.624 0.000 . 1 . . . . . 78 ALA CA . 27290 1 128 . 1 1 29 29 ALA CB C 13 19.485 0.000 . 1 . . . . . 78 ALA CB . 27290 1 129 . 1 1 29 29 ALA N N 15 126.404 0.001 . 1 . . . . . 78 ALA N . 27290 1 130 . 1 1 30 30 ASN H H 1 8.336 0.001 . 1 . . . . . 79 ASN H . 27290 1 131 . 1 1 30 30 ASN CA C 13 53.121 0.000 . 1 . . . . . 79 ASN CA . 27290 1 132 . 1 1 30 30 ASN CB C 13 38.876 0.000 . 1 . . . . . 79 ASN CB . 27290 1 133 . 1 1 30 30 ASN N N 15 118.583 0.004 . 1 . . . . . 79 ASN N . 27290 1 134 . 1 1 31 31 VAL H H 1 7.946 0.000 . 1 . . . . . 80 VAL H . 27290 1 135 . 1 1 31 31 VAL CA C 13 60.084 0.000 . 1 . . . . . 80 VAL CA . 27290 1 136 . 1 1 31 31 VAL CB C 13 32.616 0.000 . 1 . . . . . 80 VAL CB . 27290 1 137 . 1 1 31 31 VAL N N 15 121.983 0.000 . 1 . . . . . 80 VAL N . 27290 1 138 . 1 1 32 32 PRO C C 13 176.842 0.000 . 1 . . . . . 81 PRO C . 27290 1 139 . 1 1 33 33 GLN H H 1 8.460 0.002 . 1 . . . . . 82 GLN H . 27290 1 140 . 1 1 33 33 GLN C C 13 176.204 0.000 . 1 . . . . . 82 GLN C . 27290 1 141 . 1 1 33 33 GLN CA C 13 55.880 0.000 . 1 . . . . . 82 GLN CA . 27290 1 142 . 1 1 33 33 GLN CB C 13 29.591 0.000 . 1 . . . . . 82 GLN CB . 27290 1 143 . 1 1 33 33 GLN N N 15 121.327 0.004 . 1 . . . . . 82 GLN N . 27290 1 144 . 1 1 34 34 THR H H 1 8.126 0.001 . 1 . . . . . 83 THR H . 27290 1 145 . 1 1 34 34 THR CA C 13 62.037 0.000 . 1 . . . . . 83 THR CA . 27290 1 146 . 1 1 34 34 THR CB C 13 70.097 0.000 . 1 . . . . . 83 THR CB . 27290 1 147 . 1 1 34 34 THR N N 15 116.308 0.003 . 1 . . . . . 83 THR N . 27290 1 148 . 1 1 35 35 VAL H H 1 8.156 0.009 . 1 . . . . . 84 VAL H . 27290 1 149 . 1 1 35 35 VAL CA C 13 60.094 0.000 . 1 . . . . . 84 VAL CA . 27290 1 150 . 1 1 35 35 VAL CB C 13 32.665 0.000 . 1 . . . . . 84 VAL CB . 27290 1 151 . 1 1 35 35 VAL N N 15 124.607 0.006 . 1 . . . . . 84 VAL N . 27290 1 152 . 1 1 36 36 PRO C C 13 176.980 0.000 . 1 . . . . . 85 PRO C . 27290 1 153 . 1 1 37 37 MET H H 1 8.354 0.004 . 1 . . . . . 86 MET H . 27290 1 154 . 1 1 37 37 MET C C 13 176.657 0.000 . 1 . . . . . 86 MET C . 27290 1 155 . 1 1 37 37 MET CA C 13 56.417 0.000 . 1 . . . . . 86 MET CA . 27290 1 156 . 1 1 37 37 MET CB C 13 32.955 0.000 . 1 . . . . . 86 MET CB . 27290 1 157 . 1 1 37 37 MET N N 15 121.669 0.004 . 1 . . . . . 86 MET N . 27290 1 158 . 1 1 38 38 ARG H H 1 8.318 0.001 . 1 . . . . . 87 ARG H . 27290 1 159 . 1 1 38 38 ARG C C 13 176.121 0.000 . 1 . . . . . 87 ARG C . 27290 1 160 . 1 1 38 38 ARG CA C 13 56.379 0.000 . 1 . . . . . 87 ARG CA . 27290 1 161 . 1 1 38 38 ARG CB C 13 30.402 0.000 . 1 . . . . . 87 ARG CB . 27290 1 162 . 1 1 38 38 ARG N N 15 121.750 0.002 . 1 . . . . . 87 ARG N . 27290 1 163 . 1 1 39 39 LEU H H 1 8.085 0.004 . 1 . . . . . 88 LEU H . 27290 1 164 . 1 1 39 39 LEU CA C 13 55.175 0.000 . 1 . . . . . 88 LEU CA . 27290 1 165 . 1 1 39 39 LEU CB C 13 42.404 0.000 . 1 . . . . . 88 LEU CB . 27290 1 166 . 1 1 39 39 LEU N N 15 122.999 0.004 . 1 . . . . . 88 LEU N . 27290 1 167 . 1 1 40 40 ARG H H 1 8.041 0.000 . 1 . . . . . 89 ARG H . 27290 1 168 . 1 1 40 40 ARG N N 15 122.297 0.000 . 1 . . . . . 89 ARG N . 27290 1 169 . 1 1 42 42 LEU H H 1 8.278 0.001 . 1 . . . . . 91 LEU H . 27290 1 170 . 1 1 42 42 LEU CA C 13 53.231 0.000 . 1 . . . . . 91 LEU CA . 27290 1 171 . 1 1 42 42 LEU CB C 13 41.462 0.000 . 1 . . . . . 91 LEU CB . 27290 1 172 . 1 1 42 42 LEU N N 15 126.117 0.003 . 1 . . . . . 91 LEU N . 27290 1 173 . 1 1 43 43 PRO C C 13 176.739 0.000 . 1 . . . . . 92 PRO C . 27290 1 174 . 1 1 44 44 ASP H H 1 8.362 0.001 . 1 . . . . . 93 ASP H . 27290 1 175 . 1 1 44 44 ASP C C 13 176.752 0.000 . 1 . . . . . 93 ASP C . 27290 1 176 . 1 1 44 44 ASP CA C 13 55.112 0.000 . 1 . . . . . 93 ASP CA . 27290 1 177 . 1 1 44 44 ASP CB C 13 41.044 0.000 . 1 . . . . . 93 ASP CB . 27290 1 178 . 1 1 44 44 ASP N N 15 121.060 0.003 . 1 . . . . . 93 ASP N . 27290 1 179 . 1 1 45 45 SER H H 1 8.075 0.002 . 1 . . . . . 94 SER H . 27290 1 180 . 1 1 45 45 SER C C 13 174.331 0.000 . 1 . . . . . 94 SER C . 27290 1 181 . 1 1 45 45 SER CA C 13 58.855 0.000 . 1 . . . . . 94 SER CA . 27290 1 182 . 1 1 45 45 SER CB C 13 63.770 0.000 . 1 . . . . . 94 SER CB . 27290 1 183 . 1 1 45 45 SER N N 15 115.299 0.001 . 1 . . . . . 94 SER N . 27290 1 184 . 1 1 46 46 PHE H H 1 8.051 0.001 . 1 . . . . . 95 PHE H . 27290 1 185 . 1 1 46 46 PHE C C 13 175.244 0.000 . 1 . . . . . 95 PHE C . 27290 1 186 . 1 1 46 46 PHE CA C 13 58.217 0.000 . 1 . . . . . 95 PHE CA . 27290 1 187 . 1 1 46 46 PHE CB C 13 39.512 0.000 . 1 . . . . . 95 PHE CB . 27290 1 188 . 1 1 46 46 PHE N N 15 122.139 0.056 . 1 . . . . . 95 PHE N . 27290 1 189 . 1 1 47 47 PHE H H 1 7.936 0.003 . 1 . . . . . 96 PHE H . 27290 1 190 . 1 1 47 47 PHE CA C 13 57.777 0.000 . 1 . . . . . 96 PHE CA . 27290 1 191 . 1 1 47 47 PHE CB C 13 39.635 0.000 . 1 . . . . . 96 PHE CB . 27290 1 192 . 1 1 47 47 PHE N N 15 121.635 0.003 . 1 . . . . . 96 PHE N . 27290 1 193 . 1 1 50 50 PRO C C 13 176.690 0.000 . 1 . . . . . 99 PRO C . 27290 1 194 . 1 1 51 51 GLU H H 1 8.373 0.003 . 1 . . . . . 100 GLU H . 27290 1 195 . 1 1 51 51 GLU CA C 13 54.378 0.000 . 1 . . . . . 100 GLU CA . 27290 1 196 . 1 1 51 51 GLU CB C 13 29.730 0.000 . 1 . . . . . 100 GLU CB . 27290 1 197 . 1 1 51 51 GLU N N 15 123.068 0.007 . 1 . . . . . 100 GLU N . 27290 1 198 . 1 1 53 53 LYS C C 13 176.862 0.000 . 1 . . . . . 102 LYS C . 27290 1 199 . 1 1 54 54 SER H H 1 8.189 0.001 . 1 . . . . . 103 SER H . 27290 1 200 . 1 1 54 54 SER CA C 13 58.278 0.000 . 1 . . . . . 103 SER CA . 27290 1 201 . 1 1 54 54 SER CB C 13 63.883 0.000 . 1 . . . . . 103 SER CB . 27290 1 202 . 1 1 54 54 SER N N 15 116.761 0.002 . 1 . . . . . 103 SER N . 27290 1 203 . 1 1 56 56 SER H H 1 8.243 0.000 . 1 . . . . . 105 SER H . 27290 1 204 . 1 1 56 56 SER C C 13 174.510 0.000 . 1 . . . . . 105 SER C . 27290 1 205 . 1 1 56 56 SER N N 15 117.430 0.000 . 1 . . . . . 105 SER N . 27290 1 206 . 1 1 57 57 ARG H H 1 8.425 0.001 . 1 . . . . . 106 ARG H . 27290 1 207 . 1 1 57 57 ARG C C 13 176.300 0.000 . 1 . . . . . 106 ARG C . 27290 1 208 . 1 1 57 57 ARG CA C 13 56.354 0.000 . 1 . . . . . 106 ARG CA . 27290 1 209 . 1 1 57 57 ARG CB C 13 30.707 0.000 . 1 . . . . . 106 ARG CB . 27290 1 210 . 1 1 57 57 ARG N N 15 123.768 0.007 . 1 . . . . . 106 ARG N . 27290 1 211 . 1 1 58 58 GLN H H 1 8.343 0.002 . 1 . . . . . 107 GLN H . 27290 1 212 . 1 1 58 58 GLN C C 13 175.657 0.000 . 1 . . . . . 107 GLN C . 27290 1 213 . 1 1 58 58 GLN CA C 13 56.191 0.000 . 1 . . . . . 107 GLN CA . 27290 1 214 . 1 1 58 58 GLN CB C 13 29.512 0.000 . 1 . . . . . 107 GLN CB . 27290 1 215 . 1 1 58 58 GLN N N 15 122.400 0.003 . 1 . . . . . 107 GLN N . 27290 1 216 . 1 1 59 59 ALA H H 1 8.355 0.003 . 1 . . . . . 108 ALA H . 27290 1 217 . 1 1 59 59 ALA C C 13 177.905 0.000 . 1 . . . . . 108 ALA C . 27290 1 218 . 1 1 59 59 ALA CA C 13 52.613 0.000 . 1 . . . . . 108 ALA CA . 27290 1 219 . 1 1 59 59 ALA CB C 13 19.453 0.000 . 1 . . . . . 108 ALA CB . 27290 1 220 . 1 1 59 59 ALA N N 15 126.276 0.001 . 1 . . . . . 108 ALA N . 27290 1 221 . 1 1 60 60 SER H H 1 8.307 0.002 . 1 . . . . . 109 SER H . 27290 1 222 . 1 1 60 60 SER C C 13 175.040 0.000 . 1 . . . . . 109 SER C . 27290 1 223 . 1 1 60 60 SER CA C 13 58.533 0.000 . 1 . . . . . 109 SER CA . 27290 1 224 . 1 1 60 60 SER CB C 13 63.880 0.000 . 1 . . . . . 109 SER CB . 27290 1 225 . 1 1 60 60 SER N N 15 115.859 0.006 . 1 . . . . . 109 SER N . 27290 1 226 . 1 1 61 61 THR H H 1 8.136 0.000 . 1 . . . . . 110 THR H . 27290 1 227 . 1 1 61 61 THR C C 13 174.436 0.000 . 1 . . . . . 110 THR C . 27290 1 228 . 1 1 61 61 THR CA C 13 61.990 0.000 . 1 . . . . . 110 THR CA . 27290 1 229 . 1 1 61 61 THR CB C 13 69.812 0.000 . 1 . . . . . 110 THR CB . 27290 1 230 . 1 1 61 61 THR N N 15 115.840 0.002 . 1 . . . . . 110 THR N . 27290 1 231 . 1 1 62 62 ASP H H 1 8.230 0.002 . 1 . . . . . 111 ASP H . 27290 1 232 . 1 1 62 62 ASP C C 13 176.110 0.000 . 1 . . . . . 111 ASP C . 27290 1 233 . 1 1 62 62 ASP CA C 13 54.479 0.000 . 1 . . . . . 111 ASP CA . 27290 1 234 . 1 1 62 62 ASP CB C 13 41.431 0.000 . 1 . . . . . 111 ASP CB . 27290 1 235 . 1 1 62 62 ASP N N 15 123.233 0.001 . 1 . . . . . 111 ASP N . 27290 1 236 . 1 1 63 63 ALA H H 1 8.248 0.002 . 1 . . . . . 112 ALA H . 27290 1 237 . 1 1 63 63 ALA C C 13 178.582 0.000 . 1 . . . . . 112 ALA C . 27290 1 238 . 1 1 63 63 ALA CA C 13 53.208 0.000 . 1 . . . . . 112 ALA CA . 27290 1 239 . 1 1 63 63 ALA CB C 13 19.067 0.000 . 1 . . . . . 112 ALA CB . 27290 1 240 . 1 1 63 63 ALA N N 15 125.305 0.001 . 1 . . . . . 112 ALA N . 27290 1 241 . 1 1 64 64 GLY H H 1 8.368 0.001 . 1 . . . . . 113 GLY H . 27290 1 242 . 1 1 64 64 GLY C C 13 174.772 0.000 . 1 . . . . . 113 GLY C . 27290 1 243 . 1 1 64 64 GLY CA C 13 45.678 0.000 . 1 . . . . . 113 GLY CA . 27290 1 244 . 1 1 64 64 GLY N N 15 108.248 0.001 . 1 . . . . . 113 GLY N . 27290 1 245 . 1 1 65 65 THR H H 1 7.939 0.001 . 1 . . . . . 114 THR H . 27290 1 246 . 1 1 65 65 THR C C 13 174.782 0.000 . 1 . . . . . 114 THR C . 27290 1 247 . 1 1 65 65 THR CA C 13 62.205 0.000 . 1 . . . . . 114 THR CA . 27290 1 248 . 1 1 65 65 THR CB C 13 70.030 0.000 . 1 . . . . . 114 THR CB . 27290 1 249 . 1 1 65 65 THR N N 15 114.027 0.001 . 1 . . . . . 114 THR N . 27290 1 250 . 1 1 66 66 ALA H H 1 8.298 0.001 . 1 . . . . . 115 ALA H . 27290 1 251 . 1 1 66 66 ALA C C 13 178.309 0.000 . 1 . . . . . 115 ALA C . 27290 1 252 . 1 1 66 66 ALA CA C 13 53.183 0.000 . 1 . . . . . 115 ALA CA . 27290 1 253 . 1 1 66 66 ALA CB C 13 18.931 0.000 . 1 . . . . . 115 ALA CB . 27290 1 254 . 1 1 66 66 ALA N N 15 126.886 0.002 . 1 . . . . . 115 ALA N . 27290 1 255 . 1 1 67 67 GLY H H 1 8.254 0.004 . 1 . . . . . 116 GLY H . 27290 1 256 . 1 1 67 67 GLY C C 13 173.970 0.000 . 1 . . . . . 116 GLY C . 27290 1 257 . 1 1 67 67 GLY CA C 13 45.270 0.000 . 1 . . . . . 116 GLY CA . 27290 1 258 . 1 1 67 67 GLY N N 15 108.741 0.004 . 1 . . . . . 116 GLY N . 27290 1 259 . 1 1 68 68 ALA H H 1 7.974 0.001 . 1 . . . . . 117 ALA H . 27290 1 260 . 1 1 68 68 ALA C C 13 177.729 0.000 . 1 . . . . . 117 ALA C . 27290 1 261 . 1 1 68 68 ALA CA C 13 52.568 0.000 . 1 . . . . . 117 ALA CA . 27290 1 262 . 1 1 68 68 ALA CB C 13 19.530 0.000 . 1 . . . . . 117 ALA CB . 27290 1 263 . 1 1 68 68 ALA N N 15 123.952 0.003 . 1 . . . . . 117 ALA N . 27290 1 264 . 1 1 69 69 LEU H H 1 8.174 0.003 . 1 . . . . . 118 LEU H . 27290 1 265 . 1 1 69 69 LEU C C 13 177.472 0.000 . 1 . . . . . 118 LEU C . 27290 1 266 . 1 1 69 69 LEU CA C 13 55.093 0.000 . 1 . . . . . 118 LEU CA . 27290 1 267 . 1 1 69 69 LEU CB C 13 42.324 0.000 . 1 . . . . . 118 LEU CB . 27290 1 268 . 1 1 69 69 LEU N N 15 121.559 0.001 . 1 . . . . . 118 LEU N . 27290 1 269 . 1 1 70 70 THR H H 1 8.030 0.002 . 1 . . . . . 119 THR H . 27290 1 270 . 1 1 70 70 THR CA C 13 60.073 0.000 . 1 . . . . . 119 THR CA . 27290 1 271 . 1 1 70 70 THR CB C 13 69.730 0.000 . 1 . . . . . 119 THR CB . 27290 1 272 . 1 1 70 70 THR N N 15 117.581 0.004 . 1 . . . . . 119 THR N . 27290 1 273 . 1 1 71 71 PRO C C 13 177.001 0.000 . 1 . . . . . 120 PRO C . 27290 1 274 . 1 1 72 72 GLN H H 1 8.383 0.001 . 1 . . . . . 121 GLN H . 27290 1 275 . 1 1 72 72 GLN CA C 13 56.385 0.000 . 1 . . . . . 121 GLN CA . 27290 1 276 . 1 1 72 72 GLN CB C 13 29.383 0.000 . 1 . . . . . 121 GLN CB . 27290 1 277 . 1 1 72 72 GLN N N 15 120.465 0.011 . 1 . . . . . 121 GLN N . 27290 1 278 . 1 1 73 73 HIS H H 1 8.313 0.000 . 1 . . . . . 122 HIS H . 27290 1 279 . 1 1 73 73 HIS C C 13 174.859 0.000 . 1 . . . . . 122 HIS C . 27290 1 280 . 1 1 73 73 HIS N N 15 120.169 0.000 . 1 . . . . . 122 HIS N . 27290 1 281 . 1 1 74 74 VAL H H 1 8.020 0.000 . 1 . . . . . 123 VAL H . 27290 1 282 . 1 1 74 74 VAL C C 13 176.111 0.000 . 1 . . . . . 123 VAL C . 27290 1 283 . 1 1 74 74 VAL CA C 13 62.637 0.000 . 1 . . . . . 123 VAL CA . 27290 1 284 . 1 1 74 74 VAL CB C 13 32.685 0.000 . 1 . . . . . 123 VAL CB . 27290 1 285 . 1 1 74 74 VAL N N 15 122.100 0.001 . 1 . . . . . 123 VAL N . 27290 1 286 . 1 1 75 75 ARG H H 1 8.346 0.002 . 1 . . . . . 124 ARG H . 27290 1 287 . 1 1 75 75 ARG C C 13 175.976 0.000 . 1 . . . . . 124 ARG C . 27290 1 288 . 1 1 75 75 ARG CA C 13 56.334 0.000 . 1 . . . . . 124 ARG CA . 27290 1 289 . 1 1 75 75 ARG CB C 13 30.761 0.000 . 1 . . . . . 124 ARG CB . 27290 1 290 . 1 1 75 75 ARG N N 15 125.460 0.000 . 1 . . . . . 124 ARG N . 27290 1 291 . 1 1 76 76 ALA H H 1 8.257 0.002 . 1 . . . . . 125 ALA H . 27290 1 292 . 1 1 76 76 ALA CA C 13 52.631 0.000 . 1 . . . . . 125 ALA CA . 27290 1 293 . 1 1 76 76 ALA CB C 13 19.269 0.000 . 1 . . . . . 125 ALA CB . 27290 1 294 . 1 1 76 76 ALA N N 15 125.903 0.003 . 1 . . . . . 125 ALA N . 27290 1 295 . 1 1 78 78 SER H H 1 8.208 0.000 . 1 . . . . . 127 SER H . 27290 1 296 . 1 1 78 78 SER C C 13 173.987 0.000 . 1 . . . . . 127 SER C . 27290 1 297 . 1 1 78 78 SER N N 15 117.589 0.000 . 1 . . . . . 127 SER N . 27290 1 298 . 1 1 79 79 SER H H 1 8.377 0.001 . 1 . . . . . 128 SER H . 27290 1 299 . 1 1 79 79 SER CA C 13 56.385 0.000 . 1 . . . . . 128 SER CA . 27290 1 300 . 1 1 79 79 SER CB C 13 63.809 0.000 . 1 . . . . . 128 SER CB . 27290 1 301 . 1 1 79 79 SER N N 15 119.495 0.007 . 1 . . . . . 128 SER N . 27290 1 302 . 1 1 80 80 PRO C C 13 176.973 0.000 . 1 . . . . . 129 PRO C . 27290 1 303 . 1 1 81 81 ALA H H 1 8.304 0.003 . 1 . . . . . 130 ALA H . 27290 1 304 . 1 1 81 81 ALA C C 13 178.172 0.000 . 1 . . . . . 130 ALA C . 27290 1 305 . 1 1 81 81 ALA CA C 13 52.951 0.000 . 1 . . . . . 130 ALA CA . 27290 1 306 . 1 1 81 81 ALA CB C 13 19.158 0.000 . 1 . . . . . 130 ALA CB . 27290 1 307 . 1 1 81 81 ALA N N 15 124.209 0.001 . 1 . . . . . 130 ALA N . 27290 1 308 . 1 1 82 82 SER H H 1 8.100 0.001 . 1 . . . . . 131 SER H . 27290 1 309 . 1 1 82 82 SER C C 13 174.714 0.000 . 1 . . . . . 131 SER C . 27290 1 310 . 1 1 82 82 SER CA C 13 58.796 0.000 . 1 . . . . . 131 SER CA . 27290 1 311 . 1 1 82 82 SER CB C 13 63.801 0.000 . 1 . . . . . 131 SER CB . 27290 1 312 . 1 1 82 82 SER N N 15 114.943 0.003 . 1 . . . . . 131 SER N . 27290 1 313 . 1 1 83 83 LEU H H 1 8.064 0.002 . 1 . . . . . 132 LEU H . 27290 1 314 . 1 1 83 83 LEU C C 13 177.294 0.000 . 1 . . . . . 132 LEU C . 27290 1 315 . 1 1 83 83 LEU CA C 13 55.507 0.000 . 1 . . . . . 132 LEU CA . 27290 1 316 . 1 1 83 83 LEU CB C 13 42.602 0.000 . 1 . . . . . 132 LEU CB . 27290 1 317 . 1 1 83 83 LEU N N 15 124.334 0.008 . 1 . . . . . 132 LEU N . 27290 1 318 . 1 1 84 84 GLN H H 1 8.196 0.003 . 1 . . . . . 133 GLN H . 27290 1 319 . 1 1 84 84 GLN C C 13 175.934 0.000 . 1 . . . . . 133 GLN C . 27290 1 320 . 1 1 84 84 GLN CA C 13 55.518 0.000 . 1 . . . . . 133 GLN CA . 27290 1 321 . 1 1 84 84 GLN CB C 13 29.049 0.000 . 1 . . . . . 133 GLN CB . 27290 1 322 . 1 1 84 84 GLN N N 15 121.434 0.008 . 1 . . . . . 133 GLN N . 27290 1 323 . 1 1 85 85 LEU H H 1 8.176 0.002 . 1 . . . . . 134 LEU H . 27290 1 324 . 1 1 85 85 LEU C C 13 177.924 0.000 . 1 . . . . . 134 LEU C . 27290 1 325 . 1 1 85 85 LEU CA C 13 55.746 0.000 . 1 . . . . . 134 LEU CA . 27290 1 326 . 1 1 85 85 LEU CB C 13 42.223 0.000 . 1 . . . . . 134 LEU CB . 27290 1 327 . 1 1 85 85 LEU N N 15 124.028 0.000 . 1 . . . . . 134 LEU N . 27290 1 328 . 1 1 86 86 GLY H H 1 8.333 0.001 . 1 . . . . . 135 GLY H . 27290 1 329 . 1 1 86 86 GLY C C 13 173.710 0.000 . 1 . . . . . 135 GLY C . 27290 1 330 . 1 1 86 86 GLY CA C 13 45.270 0.000 . 1 . . . . . 135 GLY CA . 27290 1 331 . 1 1 86 86 GLY N N 15 110.238 0.005 . 1 . . . . . 135 GLY N . 27290 1 332 . 1 1 87 87 ALA H H 1 8.002 0.001 . 1 . . . . . 136 ALA H . 27290 1 333 . 1 1 87 87 ALA C C 13 177.656 0.000 . 1 . . . . . 136 ALA C . 27290 1 334 . 1 1 87 87 ALA CA C 13 52.598 0.000 . 1 . . . . . 136 ALA CA . 27290 1 335 . 1 1 87 87 ALA CB C 13 19.470 0.000 . 1 . . . . . 136 ALA CB . 27290 1 336 . 1 1 87 87 ALA N N 15 124.219 0.020 . 1 . . . . . 136 ALA N . 27290 1 337 . 1 1 88 88 VAL H H 1 8.053 0.002 . 1 . . . . . 137 VAL H . 27290 1 338 . 1 1 88 88 VAL C C 13 176.124 0.000 . 1 . . . . . 137 VAL C . 27290 1 339 . 1 1 88 88 VAL CA C 13 62.040 0.000 . 1 . . . . . 137 VAL CA . 27290 1 340 . 1 1 88 88 VAL CB C 13 32.992 0.000 . 1 . . . . . 137 VAL CB . 27290 1 341 . 1 1 88 88 VAL N N 15 119.696 0.005 . 1 . . . . . 137 VAL N . 27290 1 342 . 1 1 89 89 SER H H 1 8.396 0.003 . 1 . . . . . 138 SER H . 27290 1 343 . 1 1 89 89 SER CA C 13 56.413 0.000 . 1 . . . . . 138 SER CA . 27290 1 344 . 1 1 89 89 SER CB C 13 63.426 0.000 . 1 . . . . . 138 SER CB . 27290 1 345 . 1 1 89 89 SER N N 15 121.630 0.004 . 1 . . . . . 138 SER N . 27290 1 346 . 1 1 90 90 PRO C C 13 177.546 0.000 . 1 . . . . . 139 PRO C . 27290 1 347 . 1 1 91 91 GLY H H 1 8.396 0.001 . 1 . . . . . 140 GLY H . 27290 1 348 . 1 1 91 91 GLY C C 13 174.356 0.000 . 1 . . . . . 140 GLY C . 27290 1 349 . 1 1 91 91 GLY CA C 13 45.338 0.000 . 1 . . . . . 140 GLY CA . 27290 1 350 . 1 1 91 91 GLY N N 15 109.626 0.002 . 1 . . . . . 140 GLY N . 27290 1 351 . 1 1 92 92 THR H H 1 7.902 0.000 . 1 . . . . . 141 THR H . 27290 1 352 . 1 1 92 92 THR C C 13 174.397 0.000 . 1 . . . . . 141 THR C . 27290 1 353 . 1 1 92 92 THR CA C 13 62.039 0.000 . 1 . . . . . 141 THR CA . 27290 1 354 . 1 1 92 92 THR CB C 13 70.038 0.000 . 1 . . . . . 141 THR CB . 27290 1 355 . 1 1 92 92 THR N N 15 114.632 0.002 . 1 . . . . . 141 THR N . 27290 1 356 . 1 1 93 93 LEU H H 1 8.265 0.002 . 1 . . . . . 142 LEU H . 27290 1 357 . 1 1 93 93 LEU C C 13 177.187 0.000 . 1 . . . . . 142 LEU C . 27290 1 358 . 1 1 93 93 LEU CA C 13 55.171 0.000 . 1 . . . . . 142 LEU CA . 27290 1 359 . 1 1 93 93 LEU CB C 13 42.584 0.000 . 1 . . . . . 142 LEU CB . 27290 1 360 . 1 1 93 93 LEU N N 15 125.425 0.002 . 1 . . . . . 142 LEU N . 27290 1 361 . 1 1 94 94 THR H H 1 8.135 0.001 . 1 . . . . . 143 THR H . 27290 1 362 . 1 1 94 94 THR CA C 13 60.035 0.000 . 1 . . . . . 143 THR CA . 27290 1 363 . 1 1 94 94 THR CB C 13 69.713 0.000 . 1 . . . . . 143 THR CB . 27290 1 364 . 1 1 94 94 THR N N 15 118.267 0.005 . 1 . . . . . 143 THR N . 27290 1 365 . 1 1 95 95 PRO C C 13 177.235 0.000 . 1 . . . . . 144 PRO C . 27290 1 366 . 1 1 96 96 THR H H 1 8.140 0.001 . 1 . . . . . 145 THR H . 27290 1 367 . 1 1 96 96 THR C C 13 175.180 0.000 . 1 . . . . . 145 THR C . 27290 1 368 . 1 1 96 96 THR CA C 13 62.863 0.000 . 1 . . . . . 145 THR CA . 27290 1 369 . 1 1 96 96 THR CB C 13 69.957 0.000 . 1 . . . . . 145 THR CB . 27290 1 370 . 1 1 96 96 THR N N 15 113.945 0.003 . 1 . . . . . 145 THR N . 27290 1 371 . 1 1 97 97 GLY H H 1 8.271 0.002 . 1 . . . . . 146 GLY H . 27290 1 372 . 1 1 97 97 GLY C C 13 173.832 0.000 . 1 . . . . . 146 GLY C . 27290 1 373 . 1 1 97 97 GLY CA C 13 45.338 0.000 . 1 . . . . . 146 GLY CA . 27290 1 374 . 1 1 97 97 GLY N N 15 111.729 0.006 . 1 . . . . . 146 GLY N . 27290 1 375 . 1 1 98 98 VAL H H 1 7.903 0.001 . 1 . . . . . 147 VAL H . 27290 1 376 . 1 1 98 98 VAL C C 13 176.274 0.000 . 1 . . . . . 147 VAL C . 27290 1 377 . 1 1 98 98 VAL CA C 13 62.492 0.000 . 1 . . . . . 147 VAL CA . 27290 1 378 . 1 1 98 98 VAL CB C 13 32.675 0.000 . 1 . . . . . 147 VAL CB . 27290 1 379 . 1 1 98 98 VAL N N 15 120.345 0.001 . 1 . . . . . 147 VAL N . 27290 1 380 . 1 1 99 99 VAL H H 1 8.269 0.001 . 1 . . . . . 148 VAL H . 27290 1 381 . 1 1 99 99 VAL C C 13 176.071 0.000 . 1 . . . . . 148 VAL C . 27290 1 382 . 1 1 99 99 VAL CA C 13 62.250 0.000 . 1 . . . . . 148 VAL CA . 27290 1 383 . 1 1 99 99 VAL CB C 13 32.635 0.000 . 1 . . . . . 148 VAL CB . 27290 1 384 . 1 1 99 99 VAL N N 15 125.195 0.000 . 1 . . . . . 148 VAL N . 27290 1 385 . 1 1 100 100 SER H H 1 8.346 0.001 . 1 . . . . . 149 SER H . 27290 1 386 . 1 1 100 100 SER C C 13 174.401 0.000 . 1 . . . . . 149 SER C . 27290 1 387 . 1 1 100 100 SER CA C 13 58.280 0.000 . 1 . . . . . 149 SER CA . 27290 1 388 . 1 1 100 100 SER CB C 13 64.175 0.000 . 1 . . . . . 149 SER CB . 27290 1 389 . 1 1 100 100 SER N N 15 120.670 0.004 . 1 . . . . . 149 SER N . 27290 1 390 . 1 1 101 101 GLY H H 1 8.199 0.002 . 1 . . . . . 150 GLY H . 27290 1 391 . 1 1 101 101 GLY CA C 13 44.681 0.000 . 1 . . . . . 150 GLY CA . 27290 1 392 . 1 1 101 101 GLY N N 15 111.491 0.004 . 1 . . . . . 150 GLY N . 27290 1 393 . 1 1 102 102 PRO C C 13 176.944 0.000 . 1 . . . . . 151 PRO C . 27290 1 394 . 1 1 103 103 ALA H H 1 8.308 0.000 . 1 . . . . . 152 ALA H . 27290 1 395 . 1 1 103 103 ALA C C 13 177.487 0.000 . 1 . . . . . 152 ALA C . 27290 1 396 . 1 1 103 103 ALA CA C 13 52.585 0.000 . 1 . . . . . 152 ALA CA . 27290 1 397 . 1 1 103 103 ALA CB C 13 19.144 0.000 . 1 . . . . . 152 ALA CB . 27290 1 398 . 1 1 103 103 ALA N N 15 124.422 0.000 . 1 . . . . . 152 ALA N . 27290 1 399 . 1 1 104 104 ALA H H 1 8.159 0.001 . 1 . . . . . 153 ALA H . 27290 1 400 . 1 1 104 104 ALA C C 13 177.620 0.000 . 1 . . . . . 153 ALA C . 27290 1 401 . 1 1 104 104 ALA CA C 13 52.292 0.000 . 1 . . . . . 153 ALA CA . 27290 1 402 . 1 1 104 104 ALA CB C 13 19.376 0.000 . 1 . . . . . 153 ALA CB . 27290 1 403 . 1 1 104 104 ALA N N 15 123.809 0.001 . 1 . . . . . 153 ALA N . 27290 1 404 . 1 1 105 105 THR H H 1 8.053 0.001 . 1 . . . . . 154 THR H . 27290 1 405 . 1 1 105 105 THR CA C 13 60.069 0.000 . 1 . . . . . 154 THR CA . 27290 1 406 . 1 1 105 105 THR CB C 13 69.753 0.000 . 1 . . . . . 154 THR CB . 27290 1 407 . 1 1 105 105 THR N N 15 116.419 0.001 . 1 . . . . . 154 THR N . 27290 1 408 . 1 1 106 106 PRO C C 13 177.266 0.000 . 1 . . . . . 155 PRO C . 27290 1 409 . 1 1 107 107 THR H H 1 8.126 0.000 . 1 . . . . . 156 THR H . 27290 1 410 . 1 1 107 107 THR C C 13 174.575 0.000 . 1 . . . . . 156 THR C . 27290 1 411 . 1 1 107 107 THR CA C 13 62.312 0.000 . 1 . . . . . 156 THR CA . 27290 1 412 . 1 1 107 107 THR CB C 13 70.058 0.000 . 1 . . . . . 156 THR CB . 27290 1 413 . 1 1 107 107 THR N N 15 114.962 0.001 . 1 . . . . . 156 THR N . 27290 1 414 . 1 1 108 108 ALA H H 1 8.230 0.001 . 1 . . . . . 157 ALA H . 27290 1 415 . 1 1 108 108 ALA C C 13 177.813 0.000 . 1 . . . . . 157 ALA C . 27290 1 416 . 1 1 108 108 ALA CA C 13 52.632 0.000 . 1 . . . . . 157 ALA CA . 27290 1 417 . 1 1 108 108 ALA CB C 13 18.907 0.000 . 1 . . . . . 157 ALA CB . 27290 1 418 . 1 1 108 108 ALA N N 15 126.597 0.001 . 1 . . . . . 157 ALA N . 27290 1 419 . 1 1 109 109 GLN H H 1 8.233 0.000 . 1 . . . . . 158 GLN H . 27290 1 420 . 1 1 109 109 GLN C C 13 176.115 0.000 . 1 . . . . . 158 GLN C . 27290 1 421 . 1 1 109 109 GLN CA C 13 56.388 0.000 . 1 . . . . . 158 GLN CA . 27290 1 422 . 1 1 109 109 GLN CB C 13 29.517 0.000 . 1 . . . . . 158 GLN CB . 27290 1 423 . 1 1 109 109 GLN N N 15 119.661 0.003 . 1 . . . . . 158 GLN N . 27290 1 424 . 1 1 110 110 HIS H H 1 8.336 0.000 . 1 . . . . . 159 HIS H . 27290 1 425 . 1 1 110 110 HIS C C 13 174.782 0.000 . 1 . . . . . 159 HIS C . 27290 1 426 . 1 1 110 110 HIS N N 15 119.944 0.000 . 1 . . . . . 159 HIS N . 27290 1 427 . 1 1 111 111 LEU H H 1 8.128 0.002 . 1 . . . . . 160 LEU H . 27290 1 428 . 1 1 111 111 LEU C C 13 177.308 0.000 . 1 . . . . . 160 LEU C . 27290 1 429 . 1 1 111 111 LEU CA C 13 55.814 0.000 . 1 . . . . . 160 LEU CA . 27290 1 430 . 1 1 111 111 LEU CB C 13 42.234 0.000 . 1 . . . . . 160 LEU CB . 27290 1 431 . 1 1 111 111 LEU N N 15 123.567 0.004 . 1 . . . . . 160 LEU N . 27290 1 432 . 1 1 112 112 ARG H H 1 8.269 0.002 . 1 . . . . . 161 ARG H . 27290 1 433 . 1 1 112 112 ARG C C 13 176.278 0.000 . 1 . . . . . 161 ARG C . 27290 1 434 . 1 1 112 112 ARG CA C 13 56.354 0.000 . 1 . . . . . 161 ARG CA . 27290 1 435 . 1 1 112 112 ARG CB C 13 30.700 0.000 . 1 . . . . . 161 ARG CB . 27290 1 436 . 1 1 112 112 ARG N N 15 122.315 0.001 . 1 . . . . . 161 ARG N . 27290 1 437 . 1 1 113 113 GLN H H 1 8.373 0.001 . 1 . . . . . 162 GLN H . 27290 1 438 . 1 1 113 113 GLN C C 13 176.009 0.000 . 1 . . . . . 162 GLN C . 27290 1 439 . 1 1 113 113 GLN CA C 13 56.342 0.000 . 1 . . . . . 162 GLN CA . 27290 1 440 . 1 1 113 113 GLN CB C 13 29.517 0.000 . 1 . . . . . 162 GLN CB . 27290 1 441 . 1 1 113 113 GLN N N 15 122.352 0.007 . 1 . . . . . 162 GLN N . 27290 1 442 . 1 1 114 114 SER H H 1 8.314 0.002 . 1 . . . . . 163 SER H . 27290 1 443 . 1 1 114 114 SER C C 13 174.526 0.000 . 1 . . . . . 163 SER C . 27290 1 444 . 1 1 114 114 SER CA C 13 58.536 0.000 . 1 . . . . . 163 SER CA . 27290 1 445 . 1 1 114 114 SER CB C 13 63.868 0.000 . 1 . . . . . 163 SER CB . 27290 1 446 . 1 1 114 114 SER N N 15 117.556 0.000 . 1 . . . . . 163 SER N . 27290 1 447 . 1 1 115 115 SER H H 1 8.220 0.001 . 1 . . . . . 164 SER H . 27290 1 448 . 1 1 115 115 SER C C 13 174.000 0.000 . 1 . . . . . 164 SER C . 27290 1 449 . 1 1 115 115 SER CA C 13 58.724 0.000 . 1 . . . . . 164 SER CA . 27290 1 450 . 1 1 115 115 SER CB C 13 63.909 0.000 . 1 . . . . . 164 SER CB . 27290 1 451 . 1 1 115 115 SER N N 15 118.004 0.002 . 1 . . . . . 164 SER N . 27290 1 452 . 1 1 116 116 PHE H H 1 8.049 0.001 . 1 . . . . . 165 PHE H . 27290 1 453 . 1 1 116 116 PHE C C 13 175.377 0.000 . 1 . . . . . 165 PHE C . 27290 1 454 . 1 1 116 116 PHE CA C 13 57.718 0.000 . 1 . . . . . 165 PHE CA . 27290 1 455 . 1 1 116 116 PHE CB C 13 39.519 0.000 . 1 . . . . . 165 PHE CB . 27290 1 456 . 1 1 116 116 PHE N N 15 121.703 0.006 . 1 . . . . . 165 PHE N . 27290 1 457 . 1 1 117 117 GLU H H 1 8.144 0.002 . 1 . . . . . 166 GLU H . 27290 1 458 . 1 1 117 117 GLU C C 13 175.730 0.000 . 1 . . . . . 166 GLU C . 27290 1 459 . 1 1 117 117 GLU CA C 13 56.308 0.000 . 1 . . . . . 166 GLU CA . 27290 1 460 . 1 1 117 117 GLU CB C 13 30.407 0.000 . 1 . . . . . 166 GLU CB . 27290 1 461 . 1 1 117 117 GLU N N 15 122.465 0.000 . 1 . . . . . 166 GLU N . 27290 1 462 . 1 1 118 118 ILE H H 1 8.146 0.001 . 1 . . . . . 167 ILE H . 27290 1 463 . 1 1 118 118 ILE CA C 13 58.633 0.000 . 1 . . . . . 167 ILE CA . 27290 1 464 . 1 1 118 118 ILE CB C 13 38.819 0.000 . 1 . . . . . 167 ILE CB . 27290 1 465 . 1 1 118 118 ILE N N 15 124.248 0.001 . 1 . . . . . 167 ILE N . 27290 1 466 . 1 1 119 119 PRO C C 13 176.617 0.000 . 1 . . . . . 168 PRO C . 27290 1 467 . 1 1 120 120 ASP H H 1 8.296 0.002 . 1 . . . . . 169 ASP H . 27290 1 468 . 1 1 120 120 ASP C C 13 175.992 0.000 . 1 . . . . . 169 ASP C . 27290 1 469 . 1 1 120 120 ASP CA C 13 54.596 0.000 . 1 . . . . . 169 ASP CA . 27290 1 470 . 1 1 120 120 ASP CB C 13 41.180 0.000 . 1 . . . . . 169 ASP CB . 27290 1 471 . 1 1 120 120 ASP N N 15 120.983 0.003 . 1 . . . . . 169 ASP N . 27290 1 472 . 1 1 121 121 ASP H H 1 8.250 0.001 . 1 . . . . . 170 ASP H . 27290 1 473 . 1 1 121 121 ASP CA C 13 54.685 0.000 . 1 . . . . . 170 ASP CA . 27290 1 474 . 1 1 121 121 ASP CB C 13 41.023 0.000 . 1 . . . . . 170 ASP CB . 27290 1 475 . 1 1 121 121 ASP N N 15 121.216 0.001 . 1 . . . . . 170 ASP N . 27290 1 476 . 1 1 122 122 VAL H H 1 7.519 0.000 . 1 . . . . . 171 VAL H . 27290 1 477 . 1 1 122 122 VAL N N 15 123.992 0.000 . 1 . . . . . 171 VAL N . 27290 1 stop_ save_