data_27438 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27438 _Entry.Title ; Competitive Regulation of the Cold Sensing Ion Channel TRPM8 by PIP2 and PIRT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-29 _Entry.Accession_date 2018-03-29 _Entry.Last_release_date 2018-04-02 _Entry.Original_release_date 2018-04-02 _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 Nicholas Sisco . J. . . 27438 2 Cole Helsel . VM. . . 27438 3 Parthasarathi Rath . . . . 27438 4 Dorothy Machorro . . . . 27438 5 Wade 'Van Horn' . D. . . 27438 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Van Horn Research Group, MRRC' . 27438 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27438 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 141 27438 '15N chemical shifts' 91 27438 '1H chemical shifts' 92 27438 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 . . 2019-04-12 . original BMRB . 27438 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27438 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29724821 _Citation.Full_citation . _Citation.Title ; Phosphoinositide-interacting regulator of TRP (PIRT) has opposing effects on human and mouse TRPM8 ion channels ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 9423 _Citation.Page_last 9434 _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 Jacob Hilton J. K. . . 27438 1 2 Taraneh Salehpour T. . . . 27438 1 3 Nicholas Sisco N. J. . . 27438 1 4 Parthasarathi Rath P. . . . 27438 1 5 Wade 'Van Horn' W. D. . . 27438 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27438 _Assembly.ID 1 _Assembly.Name 'Human PIRT' _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 16660 _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 PIRT' 1 $Human_PIRT A . yes native no no . . . 27438 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_PIRT _Entity.Sf_category entity _Entity.Sf_framecode Human_PIRT _Entity.Entry_ID 27438 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_PIRT _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 ; MGHHHHHHGMTMETLPKVLE VDEKSPEAKDLLPSQTASSL CISSRSESVWTTTPRSNWEI YRKPIVIMSVGGAILLFGVV ITCLAYTLKLSDKSLSILKM VGPGFLSLGLMMLVCGLVWV PIIKKKQKHRQKSNFLRSLK SFFLTR ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -8 MET . 27438 1 2 -7 GLY . 27438 1 3 -6 HIS . 27438 1 4 -5 HIS . 27438 1 5 -4 HIS . 27438 1 6 -3 HIS . 27438 1 7 -2 HIS . 27438 1 8 -1 HIS . 27438 1 9 0 GLY . 27438 1 10 1 MET . 27438 1 11 2 THR . 27438 1 12 3 MET . 27438 1 13 4 GLU . 27438 1 14 5 THR . 27438 1 15 6 LEU . 27438 1 16 7 PRO . 27438 1 17 8 LYS . 27438 1 18 9 VAL . 27438 1 19 10 LEU . 27438 1 20 11 GLU . 27438 1 21 12 VAL . 27438 1 22 13 ASP . 27438 1 23 14 GLU . 27438 1 24 15 LYS . 27438 1 25 16 SER . 27438 1 26 17 PRO . 27438 1 27 18 GLU . 27438 1 28 19 ALA . 27438 1 29 20 LYS . 27438 1 30 21 ASP . 27438 1 31 22 LEU . 27438 1 32 23 LEU . 27438 1 33 24 PRO . 27438 1 34 25 SER . 27438 1 35 26 GLN . 27438 1 36 27 THR . 27438 1 37 28 ALA . 27438 1 38 29 SER . 27438 1 39 30 SER . 27438 1 40 31 LEU . 27438 1 41 32 CYS . 27438 1 42 33 ILE . 27438 1 43 34 SER . 27438 1 44 35 SER . 27438 1 45 36 ARG . 27438 1 46 37 SER . 27438 1 47 38 GLU . 27438 1 48 39 SER . 27438 1 49 40 VAL . 27438 1 50 41 TRP . 27438 1 51 42 THR . 27438 1 52 43 THR . 27438 1 53 44 THR . 27438 1 54 45 PRO . 27438 1 55 46 ARG . 27438 1 56 47 SER . 27438 1 57 48 ASN . 27438 1 58 49 TRP . 27438 1 59 50 GLU . 27438 1 60 51 ILE . 27438 1 61 52 TYR . 27438 1 62 53 ARG . 27438 1 63 54 LYS . 27438 1 64 55 PRO . 27438 1 65 56 ILE . 27438 1 66 57 VAL . 27438 1 67 58 ILE . 27438 1 68 59 MET . 27438 1 69 60 SER . 27438 1 70 61 VAL . 27438 1 71 62 GLY . 27438 1 72 63 GLY . 27438 1 73 64 ALA . 27438 1 74 65 ILE . 27438 1 75 66 LEU . 27438 1 76 67 LEU . 27438 1 77 68 PHE . 27438 1 78 69 GLY . 27438 1 79 70 VAL . 27438 1 80 71 VAL . 27438 1 81 72 ILE . 27438 1 82 73 THR . 27438 1 83 74 CYS . 27438 1 84 75 LEU . 27438 1 85 76 ALA . 27438 1 86 77 TYR . 27438 1 87 78 THR . 27438 1 88 79 LEU . 27438 1 89 80 LYS . 27438 1 90 81 LEU . 27438 1 91 82 SER . 27438 1 92 83 ASP . 27438 1 93 84 LYS . 27438 1 94 85 SER . 27438 1 95 86 LEU . 27438 1 96 87 SER . 27438 1 97 88 ILE . 27438 1 98 89 LEU . 27438 1 99 90 LYS . 27438 1 100 91 MET . 27438 1 101 92 VAL . 27438 1 102 93 GLY . 27438 1 103 94 PRO . 27438 1 104 95 GLY . 27438 1 105 96 PHE . 27438 1 106 97 LEU . 27438 1 107 98 SER . 27438 1 108 99 LEU . 27438 1 109 100 GLY . 27438 1 110 101 LEU . 27438 1 111 102 MET . 27438 1 112 103 MET . 27438 1 113 104 LEU . 27438 1 114 105 VAL . 27438 1 115 106 CYS . 27438 1 116 107 GLY . 27438 1 117 108 LEU . 27438 1 118 109 VAL . 27438 1 119 110 TRP . 27438 1 120 111 VAL . 27438 1 121 112 PRO . 27438 1 122 113 ILE . 27438 1 123 114 ILE . 27438 1 124 115 LYS . 27438 1 125 116 LYS . 27438 1 126 117 LYS . 27438 1 127 118 GLN . 27438 1 128 119 LYS . 27438 1 129 120 HIS . 27438 1 130 121 ARG . 27438 1 131 122 GLN . 27438 1 132 123 LYS . 27438 1 133 124 SER . 27438 1 134 125 ASN . 27438 1 135 126 PHE . 27438 1 136 127 LEU . 27438 1 137 128 ARG . 27438 1 138 129 SER . 27438 1 139 130 LEU . 27438 1 140 131 LYS . 27438 1 141 132 SER . 27438 1 142 133 PHE . 27438 1 143 134 PHE . 27438 1 144 135 LEU . 27438 1 145 136 THR . 27438 1 146 137 ARG . 27438 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 27438 1 . GLY 2 2 27438 1 . HIS 3 3 27438 1 . HIS 4 4 27438 1 . HIS 5 5 27438 1 . HIS 6 6 27438 1 . HIS 7 7 27438 1 . HIS 8 8 27438 1 . GLY 9 9 27438 1 . MET 10 10 27438 1 . THR 11 11 27438 1 . MET 12 12 27438 1 . GLU 13 13 27438 1 . THR 14 14 27438 1 . LEU 15 15 27438 1 . PRO 16 16 27438 1 . LYS 17 17 27438 1 . VAL 18 18 27438 1 . LEU 19 19 27438 1 . GLU 20 20 27438 1 . VAL 21 21 27438 1 . ASP 22 22 27438 1 . GLU 23 23 27438 1 . LYS 24 24 27438 1 . SER 25 25 27438 1 . PRO 26 26 27438 1 . GLU 27 27 27438 1 . ALA 28 28 27438 1 . LYS 29 29 27438 1 . ASP 30 30 27438 1 . LEU 31 31 27438 1 . LEU 32 32 27438 1 . PRO 33 33 27438 1 . SER 34 34 27438 1 . GLN 35 35 27438 1 . THR 36 36 27438 1 . ALA 37 37 27438 1 . SER 38 38 27438 1 . SER 39 39 27438 1 . LEU 40 40 27438 1 . CYS 41 41 27438 1 . ILE 42 42 27438 1 . SER 43 43 27438 1 . SER 44 44 27438 1 . ARG 45 45 27438 1 . SER 46 46 27438 1 . GLU 47 47 27438 1 . SER 48 48 27438 1 . VAL 49 49 27438 1 . TRP 50 50 27438 1 . THR 51 51 27438 1 . THR 52 52 27438 1 . THR 53 53 27438 1 . PRO 54 54 27438 1 . ARG 55 55 27438 1 . SER 56 56 27438 1 . ASN 57 57 27438 1 . TRP 58 58 27438 1 . GLU 59 59 27438 1 . ILE 60 60 27438 1 . TYR 61 61 27438 1 . ARG 62 62 27438 1 . LYS 63 63 27438 1 . PRO 64 64 27438 1 . ILE 65 65 27438 1 . VAL 66 66 27438 1 . ILE 67 67 27438 1 . MET 68 68 27438 1 . SER 69 69 27438 1 . VAL 70 70 27438 1 . GLY 71 71 27438 1 . GLY 72 72 27438 1 . ALA 73 73 27438 1 . ILE 74 74 27438 1 . LEU 75 75 27438 1 . LEU 76 76 27438 1 . PHE 77 77 27438 1 . GLY 78 78 27438 1 . VAL 79 79 27438 1 . VAL 80 80 27438 1 . ILE 81 81 27438 1 . THR 82 82 27438 1 . CYS 83 83 27438 1 . LEU 84 84 27438 1 . ALA 85 85 27438 1 . TYR 86 86 27438 1 . THR 87 87 27438 1 . LEU 88 88 27438 1 . LYS 89 89 27438 1 . LEU 90 90 27438 1 . SER 91 91 27438 1 . ASP 92 92 27438 1 . LYS 93 93 27438 1 . SER 94 94 27438 1 . LEU 95 95 27438 1 . SER 96 96 27438 1 . ILE 97 97 27438 1 . LEU 98 98 27438 1 . LYS 99 99 27438 1 . MET 100 100 27438 1 . VAL 101 101 27438 1 . GLY 102 102 27438 1 . PRO 103 103 27438 1 . GLY 104 104 27438 1 . PHE 105 105 27438 1 . LEU 106 106 27438 1 . SER 107 107 27438 1 . LEU 108 108 27438 1 . GLY 109 109 27438 1 . LEU 110 110 27438 1 . MET 111 111 27438 1 . MET 112 112 27438 1 . LEU 113 113 27438 1 . VAL 114 114 27438 1 . CYS 115 115 27438 1 . GLY 116 116 27438 1 . LEU 117 117 27438 1 . VAL 118 118 27438 1 . TRP 119 119 27438 1 . VAL 120 120 27438 1 . PRO 121 121 27438 1 . ILE 122 122 27438 1 . ILE 123 123 27438 1 . LYS 124 124 27438 1 . LYS 125 125 27438 1 . LYS 126 126 27438 1 . GLN 127 127 27438 1 . LYS 128 128 27438 1 . HIS 129 129 27438 1 . ARG 130 130 27438 1 . GLN 131 131 27438 1 . LYS 132 132 27438 1 . SER 133 133 27438 1 . ASN 134 134 27438 1 . PHE 135 135 27438 1 . LEU 136 136 27438 1 . ARG 137 137 27438 1 . SER 138 138 27438 1 . LEU 139 139 27438 1 . LYS 140 140 27438 1 . SER 141 141 27438 1 . PHE 142 142 27438 1 . PHE 143 143 27438 1 . LEU 144 144 27438 1 . THR 145 145 27438 1 . ARG 146 146 27438 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 27438 _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 $Human_PIRT . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27438 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 27438 _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 $Human_PIRT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(START)DE3 . . . . . pET16b . . . 27438 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27438 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Human PIRT' '[U-100% 13C; U-100% 15N]' . . 1 $Human_PIRT . . 500-750 . . uM . . . . 27438 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 27438 _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 pH 6.5 . pH 27438 1 pressure 1 . atm 27438 1 temperature 273 . K 27438 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27438 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27438 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27438 1 'data analysis' 27438 1 'peak picking' 27438 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27438 _Software.ID 2 _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' . . 27438 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27438 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27438 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27438 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27438 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 27438 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27438 _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 . 850 . . . 27438 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 27438 _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 . . . . . . . . . . . . . . . . 27438 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27438 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27438 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27438 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27438 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 27438 _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 . . . . . 27438 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27438 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27438 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 27438 _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' . . . 27438 1 2 '3D HNCA' . . . 27438 1 3 '3D HNCACB' . . . 27438 1 4 '3D HN(CO)CA' . . . 27438 1 5 '3D HN(COCA)CB' . . . 27438 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 10 10 MET H H 1 7.748 . . . . . . . . 1 MET HN . 27438 1 2 . 1 1 10 10 MET CA C 13 57.089 . . . . . . . . 1 MET CA . 27438 1 3 . 1 1 10 10 MET CB C 13 33.932 . . . . . . . . 1 MET CB . 27438 1 4 . 1 1 10 10 MET N N 15 125.587 . . . . . . . . 1 MET N . 27438 1 5 . 1 1 11 11 THR H H 1 7.714 . . . . . . . . 2 THR HN . 27438 1 6 . 1 1 11 11 THR CA C 13 61.748 . . . . . . . . 2 THR CA . 27438 1 7 . 1 1 11 11 THR N N 15 113.846 . . . . . . . . 2 THR N . 27438 1 8 . 1 1 12 12 MET H H 1 8.088 . . . . . . . . 3 MET HN . 27438 1 9 . 1 1 12 12 MET CA C 13 52.891 . . . . . . . . 3 MET CA . 27438 1 10 . 1 1 12 12 MET CB C 13 41.714 . . . . . . . . 3 MET CB . 27438 1 11 . 1 1 12 12 MET N N 15 127.440 . . . . . . . . 3 MET N . 27438 1 12 . 1 1 13 13 GLU H H 1 8.097 . . . . . . . . 4 GLU HN . 27438 1 13 . 1 1 13 13 GLU CA C 13 56.617 . . . . . . . . 4 GLU CA . 27438 1 14 . 1 1 13 13 GLU N N 15 120.225 . . . . . . . . 4 GLU N . 27438 1 15 . 1 1 14 14 THR H H 1 8.006 . . . . . . . . 5 THR HN . 27438 1 16 . 1 1 14 14 THR CA C 13 61.753 . . . . . . . . 5 THR CA . 27438 1 17 . 1 1 14 14 THR CB C 13 69.934 . . . . . . . . 5 THR CB . 27438 1 18 . 1 1 14 14 THR N N 15 115.967 . . . . . . . . 5 THR N . 27438 1 19 . 1 1 15 15 LEU H H 1 7.960 . . . . . . . . 6 LEU HN . 27438 1 20 . 1 1 15 15 LEU CA C 13 53.661 . . . . . . . . 6 LEU CA . 27438 1 21 . 1 1 15 15 LEU CB C 13 41.241 . . . . . . . . 6 LEU CB . 27438 1 22 . 1 1 15 15 LEU N N 15 125.863 . . . . . . . . 6 LEU N . 27438 1 23 . 1 1 27 27 GLU H H 1 7.943 . . . . . . . . 18 GLU HN . 27438 1 24 . 1 1 27 27 GLU CA C 13 62.094 . . . . . . . . 18 GLU CA . 27438 1 25 . 1 1 27 27 GLU CB C 13 33.093 . . . . . . . . 18 GLU CB . 27438 1 26 . 1 1 27 27 GLU N N 15 120.431 . . . . . . . . 18 GLU N . 27438 1 27 . 1 1 28 28 ALA H H 1 8.102 . . . . . . . . 19 ALA HN . 27438 1 28 . 1 1 28 28 ALA CA C 13 52.963 . . . . . . . . 19 ALA CA . 27438 1 29 . 1 1 28 28 ALA CB C 13 19.018 . . . . . . . . 19 ALA CB . 27438 1 30 . 1 1 28 28 ALA N N 15 125.442 . . . . . . . . 19 ALA N . 27438 1 31 . 1 1 29 29 LYS H H 1 8.034 . . . . . . . . 20 LYS HN . 27438 1 32 . 1 1 29 29 LYS CA C 13 56.708 . . . . . . . . 20 LYS CA . 27438 1 33 . 1 1 29 29 LYS CB C 13 32.991 . . . . . . . . 20 LYS CB . 27438 1 34 . 1 1 29 29 LYS N N 15 120.029 . . . . . . . . 20 LYS N . 27438 1 35 . 1 1 30 30 ASP H H 1 8.034 . . . . . . . . 21 ASP HN . 27438 1 36 . 1 1 30 30 ASP CA C 13 54.607 . . . . . . . . 21 ASP CA . 27438 1 37 . 1 1 30 30 ASP CB C 13 41.164 . . . . . . . . 21 ASP CB . 27438 1 38 . 1 1 30 30 ASP N N 15 120.485 . . . . . . . . 21 ASP N . 27438 1 39 . 1 1 31 31 LEU H H 1 7.846 . . . . . . . . 22 LEU HN . 27438 1 40 . 1 1 31 31 LEU CA C 13 55.057 . . . . . . . . 22 LEU CA . 27438 1 41 . 1 1 31 31 LEU CB C 13 42.579 . . . . . . . . 22 LEU CB . 27438 1 42 . 1 1 31 31 LEU N N 15 121.776 . . . . . . . . 22 LEU N . 27438 1 43 . 1 1 32 32 LEU H H 1 7.969 . . . . . . . . 23 LEU HN . 27438 1 44 . 1 1 32 32 LEU CA C 13 53.180 . . . . . . . . 23 LEU CA . 27438 1 45 . 1 1 32 32 LEU CB C 13 41.904 . . . . . . . . 23 LEU CB . 27438 1 46 . 1 1 32 32 LEU N N 15 124.031 . . . . . . . . 23 LEU N . 27438 1 47 . 1 1 33 33 PRO CA C 13 62.634 . . . . . . . . 24 PRO CA . 27438 1 48 . 1 1 34 34 SER H H 1 8.469 . . . . . . . . 25 SER HN . 27438 1 49 . 1 1 34 34 SER CA C 13 58.589 . . . . . . . . 25 SER CA . 27438 1 50 . 1 1 34 34 SER CB C 13 63.975 . . . . . . . . 25 SER CB . 27438 1 51 . 1 1 34 34 SER N N 15 116.744 . . . . . . . . 25 SER N . 27438 1 52 . 1 1 35 35 GLN H H 1 7.930 . . . . . . . . 26 GLN HN . 27438 1 53 . 1 1 35 35 GLN CA C 13 54.927 . . . . . . . . 26 GLN CA . 27438 1 54 . 1 1 35 35 GLN CB C 13 40.369 . . . . . . . . 26 GLN CB . 27438 1 55 . 1 1 35 35 GLN N N 15 126.209 . . . . . . . . 26 GLN N . 27438 1 56 . 1 1 36 36 THR H H 1 7.964 . . . . . . . . 27 THR HN . 27438 1 57 . 1 1 36 36 THR CA C 13 62.302 . . . . . . . . 27 THR CA . 27438 1 58 . 1 1 36 36 THR CB C 13 69.824 . . . . . . . . 27 THR CB . 27438 1 59 . 1 1 36 36 THR N N 15 115.057 . . . . . . . . 27 THR N . 27438 1 60 . 1 1 37 37 ALA H H 1 8.152 . . . . . . . . 28 ALA HN . 27438 1 61 . 1 1 37 37 ALA CA C 13 54.988 . . . . . . . . 28 ALA CA . 27438 1 62 . 1 1 37 37 ALA N N 15 126.451 . . . . . . . . 28 ALA N . 27438 1 63 . 1 1 38 38 SER H H 1 7.960 . . . . . . . . 29 SER HN . 27438 1 64 . 1 1 38 38 SER CA C 13 58.038 . . . . . . . . 29 SER CA . 27438 1 65 . 1 1 38 38 SER CB C 13 63.736 . . . . . . . . 29 SER CB . 27438 1 66 . 1 1 38 38 SER N N 15 123.231 . . . . . . . . 29 SER N . 27438 1 67 . 1 1 39 39 SER H H 1 7.857 . . . . . . . . 30 SER HN . 27438 1 68 . 1 1 39 39 SER CA C 13 59.595 . . . . . . . . 30 SER CA . 27438 1 69 . 1 1 39 39 SER N N 15 119.035 . . . . . . . . 30 SER N . 27438 1 70 . 1 1 41 41 CYS H H 1 8.304 . . . . . . . . 32 CYS HN . 27438 1 71 . 1 1 41 41 CYS CA C 13 56.673 . . . . . . . . 32 CYS CA . 27438 1 72 . 1 1 41 41 CYS CB C 13 30.471 . . . . . . . . 32 CYS CB . 27438 1 73 . 1 1 41 41 CYS N N 15 122.464 . . . . . . . . 32 CYS N . 27438 1 74 . 1 1 42 42 ILE H H 1 8.182 . . . . . . . . 33 ILE HN . 27438 1 75 . 1 1 42 42 ILE CA C 13 56.064 . . . . . . . . 33 ILE CA . 27438 1 76 . 1 1 42 42 ILE CB C 13 32.978 . . . . . . . . 33 ILE CB . 27438 1 77 . 1 1 42 42 ILE N N 15 122.243 . . . . . . . . 33 ILE N . 27438 1 78 . 1 1 43 43 SER H H 1 8.159 . . . . . . . . 34 SER HN . 27438 1 79 . 1 1 43 43 SER CA C 13 56.532 . . . . . . . . 34 SER CA . 27438 1 80 . 1 1 43 43 SER CB C 13 63.391 . . . . . . . . 34 SER CB . 27438 1 81 . 1 1 43 43 SER N N 15 118.767 . . . . . . . . 34 SER N . 27438 1 82 . 1 1 44 44 SER H H 1 8.390 . . . . . . . . 35 SER HN . 27438 1 83 . 1 1 44 44 SER CA C 13 56.632 . . . . . . . . 35 SER CA . 27438 1 84 . 1 1 44 44 SER CB C 13 63.319 . . . . . . . . 35 SER CB . 27438 1 85 . 1 1 44 44 SER N N 15 120.305 . . . . . . . . 35 SER N . 27438 1 86 . 1 1 51 51 THR H H 1 8.046 . . . . . . . . 42 THR HN . 27438 1 87 . 1 1 51 51 THR CA C 13 61.798 . . . . . . . . 42 THR CA . 27438 1 88 . 1 1 51 51 THR CB C 13 69.940 . . . . . . . . 42 THR CB . 27438 1 89 . 1 1 51 51 THR N N 15 115.625 . . . . . . . . 42 THR N . 27438 1 90 . 1 1 52 52 THR H H 1 7.905 . . . . . . . . 43 THR HN . 27438 1 91 . 1 1 52 52 THR CA C 13 61.796 . . . . . . . . 43 THR CA . 27438 1 92 . 1 1 52 52 THR CB C 13 69.838 . . . . . . . . 43 THR CB . 27438 1 93 . 1 1 52 52 THR N N 15 115.499 . . . . . . . . 43 THR N . 27438 1 94 . 1 1 66 66 VAL H H 1 7.975 . . . . . . . . 57 VAL HN . 27438 1 95 . 1 1 66 66 VAL CA C 13 67.291 . . . . . . . . 57 VAL CA . 27438 1 96 . 1 1 66 66 VAL N N 15 121.166 . . . . . . . . 57 VAL N . 27438 1 97 . 1 1 67 67 ILE H H 1 7.999 . . . . . . . . 58 ILE HN . 27438 1 98 . 1 1 67 67 ILE CA C 13 61.983 . . . . . . . . 58 ILE CA . 27438 1 99 . 1 1 67 67 ILE N N 15 119.336 . . . . . . . . 58 ILE N . 27438 1 100 . 1 1 68 68 MET H H 1 7.828 . . . . . . . . 59 MET HN . 27438 1 101 . 1 1 68 68 MET CA C 13 59.086 . . . . . . . . 59 MET CA . 27438 1 102 . 1 1 68 68 MET N N 15 117.016 . . . . . . . . 59 MET N . 27438 1 103 . 1 1 69 69 SER H H 1 7.133 . . . . . . . . 60 SER HN . 27438 1 104 . 1 1 69 69 SER CA C 13 56.729 . . . . . . . . 60 SER CA . 27438 1 105 . 1 1 69 69 SER CB C 13 64.555 . . . . . . . . 60 SER CB . 27438 1 106 . 1 1 69 69 SER N N 15 113.733 . . . . . . . . 60 SER N . 27438 1 107 . 1 1 70 70 VAL H H 1 8.316 . . . . . . . . 61 VAL HN . 27438 1 108 . 1 1 70 70 VAL CA C 13 65.597 . . . . . . . . 61 VAL CA . 27438 1 109 . 1 1 70 70 VAL CB C 13 39.577 . . . . . . . . 61 VAL CB . 27438 1 110 . 1 1 70 70 VAL N N 15 116.781 . . . . . . . . 61 VAL N . 27438 1 111 . 1 1 71 71 GLY H H 1 8.478 . . . . . . . . 62 GLY HN . 27438 1 112 . 1 1 71 71 GLY CA C 13 49.262 . . . . . . . . 62 GLY CA . 27438 1 113 . 1 1 71 71 GLY N N 15 106.388 . . . . . . . . 62 GLY N . 27438 1 114 . 1 1 72 72 GLY H H 1 8.480 . . . . . . . . 63 GLY HN . 27438 1 115 . 1 1 72 72 GLY CA C 13 49.261 . . . . . . . . 63 GLY CA . 27438 1 116 . 1 1 72 72 GLY N N 15 107.645 . . . . . . . . 63 GLY N . 27438 1 117 . 1 1 73 73 ALA H H 1 7.947 . . . . . . . . 64 ALA HN . 27438 1 118 . 1 1 73 73 ALA CA C 13 54.659 . . . . . . . . 64 ALA CA . 27438 1 119 . 1 1 73 73 ALA CB C 13 18.570 . . . . . . . . 64 ALA CB . 27438 1 120 . 1 1 73 73 ALA N N 15 123.746 . . . . . . . . 64 ALA N . 27438 1 121 . 1 1 74 74 ILE H H 1 8.625 . . . . . . . . 65 ILE HN . 27438 1 122 . 1 1 74 74 ILE CA C 13 66.052 . . . . . . . . 65 ILE CA . 27438 1 123 . 1 1 74 74 ILE N N 15 122.119 . . . . . . . . 65 ILE N . 27438 1 124 . 1 1 75 75 LEU H H 1 7.928 . . . . . . . . 66 LEU HN . 27438 1 125 . 1 1 75 75 LEU CA C 13 62.848 . . . . . . . . 66 LEU CA . 27438 1 126 . 1 1 75 75 LEU N N 15 113.626 . . . . . . . . 66 LEU N . 27438 1 127 . 1 1 76 76 LEU H H 1 7.873 . . . . . . . . 67 LEU HN . 27438 1 128 . 1 1 76 76 LEU CA C 13 61.064 . . . . . . . . 67 LEU CA . 27438 1 129 . 1 1 76 76 LEU N N 15 119.383 . . . . . . . . 67 LEU N . 27438 1 130 . 1 1 77 77 PHE H H 1 7.838 . . . . . . . . 68 PHE HN . 27438 1 131 . 1 1 77 77 PHE CA C 13 60.835 . . . . . . . . 68 PHE CA . 27438 1 132 . 1 1 77 77 PHE N N 15 123.356 . . . . . . . . 68 PHE N . 27438 1 133 . 1 1 78 78 GLY H H 1 8.978 . . . . . . . . 69 GLY HN . 27438 1 134 . 1 1 78 78 GLY CA C 13 48.468 . . . . . . . . 69 GLY CA . 27438 1 135 . 1 1 78 78 GLY N N 15 106.979 . . . . . . . . 69 GLY N . 27438 1 136 . 1 1 79 79 VAL H H 1 8.853 . . . . . . . . 70 VAL HN . 27438 1 137 . 1 1 79 79 VAL CA C 13 67.195 . . . . . . . . 70 VAL CA . 27438 1 138 . 1 1 79 79 VAL N N 15 126.524 . . . . . . . . 70 VAL N . 27438 1 139 . 1 1 80 80 VAL H H 1 8.215 . . . . . . . . 71 VAL HN . 27438 1 140 . 1 1 80 80 VAL CA C 13 67.198 . . . . . . . . 71 VAL CA . 27438 1 141 . 1 1 80 80 VAL N N 15 119.941 . . . . . . . . 71 VAL N . 27438 1 142 . 1 1 81 81 ILE H H 1 8.570 . . . . . . . . 72 ILE HN . 27438 1 143 . 1 1 81 81 ILE CA C 13 64.773 . . . . . . . . 72 ILE CA . 27438 1 144 . 1 1 81 81 ILE N N 15 117.448 . . . . . . . . 72 ILE N . 27438 1 145 . 1 1 82 82 THR H H 1 8.077 . . . . . . . . 73 THR HN . 27438 1 146 . 1 1 82 82 THR CA C 13 68.265 . . . . . . . . 73 THR CA . 27438 1 147 . 1 1 82 82 THR N N 15 116.714 . . . . . . . . 73 THR N . 27438 1 148 . 1 1 83 83 CYS H H 1 8.210 . . . . . . . . 74 CYS HN . 27438 1 149 . 1 1 83 83 CYS CA C 13 64.141 . . . . . . . . 74 CYS CA . 27438 1 150 . 1 1 83 83 CYS N N 15 117.804 . . . . . . . . 74 CYS N . 27438 1 151 . 1 1 84 84 LEU H H 1 7.928 . . . . . . . . 75 LEU HN . 27438 1 152 . 1 1 84 84 LEU CA C 13 57.518 . . . . . . . . 75 LEU CA . 27438 1 153 . 1 1 84 84 LEU CB C 13 42.094 . . . . . . . . 75 LEU CB . 27438 1 154 . 1 1 84 84 LEU N N 15 122.772 . . . . . . . . 75 LEU N . 27438 1 155 . 1 1 85 85 ALA H H 1 8.232 . . . . . . . . 76 ALA HN . 27438 1 156 . 1 1 85 85 ALA CA C 13 53.870 . . . . . . . . 76 ALA CA . 27438 1 157 . 1 1 85 85 ALA CB C 13 17.255 . . . . . . . . 76 ALA CB . 27438 1 158 . 1 1 85 85 ALA N N 15 120.491 . . . . . . . . 76 ALA N . 27438 1 159 . 1 1 86 86 TYR H H 1 7.230 . . . . . . . . 77 TYR HN . 27438 1 160 . 1 1 86 86 TYR CA C 13 59.275 . . . . . . . . 77 TYR CA . 27438 1 161 . 1 1 86 86 TYR CB C 13 39.288 . . . . . . . . 77 TYR CB . 27438 1 162 . 1 1 86 86 TYR N N 15 111.155 . . . . . . . . 77 TYR N . 27438 1 163 . 1 1 87 87 THR H H 1 7.543 . . . . . . . . 78 THR HN . 27438 1 164 . 1 1 87 87 THR CA C 13 63.139 . . . . . . . . 78 THR CA . 27438 1 165 . 1 1 87 87 THR CB C 13 70.560 . . . . . . . . 78 THR CB . 27438 1 166 . 1 1 87 87 THR N N 15 110.350 . . . . . . . . 78 THR N . 27438 1 167 . 1 1 88 88 LEU H H 1 7.931 . . . . . . . . 79 LEU HN . 27438 1 168 . 1 1 88 88 LEU CA C 13 54.320 . . . . . . . . 79 LEU CA . 27438 1 169 . 1 1 88 88 LEU CB C 13 42.045 . . . . . . . . 79 LEU CB . 27438 1 170 . 1 1 88 88 LEU N N 15 121.358 . . . . . . . . 79 LEU N . 27438 1 171 . 1 1 89 89 LYS H H 1 8.585 . . . . . . . . 80 LYS HN . 27438 1 172 . 1 1 89 89 LYS CA C 13 55.244 . . . . . . . . 80 LYS CA . 27438 1 173 . 1 1 89 89 LYS CB C 13 29.599 . . . . . . . . 80 LYS CB . 27438 1 174 . 1 1 89 89 LYS N N 15 123.223 . . . . . . . . 80 LYS N . 27438 1 175 . 1 1 90 90 LEU H H 1 6.900 . . . . . . . . 81 LEU HN . 27438 1 176 . 1 1 90 90 LEU CA C 13 52.702 . . . . . . . . 81 LEU CA . 27438 1 177 . 1 1 90 90 LEU CB C 13 43.268 . . . . . . . . 81 LEU CB . 27438 1 178 . 1 1 90 90 LEU N N 15 122.417 . . . . . . . . 81 LEU N . 27438 1 179 . 1 1 91 91 SER H H 1 8.655 . . . . . . . . 82 SER HN . 27438 1 180 . 1 1 91 91 SER CA C 13 58.116 . . . . . . . . 82 SER CA . 27438 1 181 . 1 1 91 91 SER CB C 13 63.775 . . . . . . . . 82 SER CB . 27438 1 182 . 1 1 91 91 SER N N 15 115.833 . . . . . . . . 82 SER N . 27438 1 183 . 1 1 95 95 LEU H H 1 7.695 . . . . . . . . 86 LEU HN . 27438 1 184 . 1 1 95 95 LEU CA C 13 52.627 . . . . . . . . 86 LEU CA . 27438 1 185 . 1 1 95 95 LEU CB C 13 43.029 . . . . . . . . 86 LEU CB . 27438 1 186 . 1 1 95 95 LEU N N 15 121.916 . . . . . . . . 86 LEU N . 27438 1 187 . 1 1 96 96 SER H H 1 7.779 . . . . . . . . 87 SER HN . 27438 1 188 . 1 1 96 96 SER CA C 13 59.976 . . . . . . . . 87 SER CA . 27438 1 189 . 1 1 96 96 SER CB C 13 65.057 . . . . . . . . 87 SER CB . 27438 1 190 . 1 1 96 96 SER N N 15 121.565 . . . . . . . . 87 SER N . 27438 1 191 . 1 1 97 97 ILE H H 1 7.991 . . . . . . . . 88 ILE HN . 27438 1 192 . 1 1 97 97 ILE CA C 13 62.051 . . . . . . . . 88 ILE CA . 27438 1 193 . 1 1 97 97 ILE N N 15 116.848 . . . . . . . . 88 ILE N . 27438 1 194 . 1 1 98 98 LEU H H 1 7.910 . . . . . . . . 89 LEU HN . 27438 1 195 . 1 1 98 98 LEU CA C 13 52.489 . . . . . . . . 89 LEU CA . 27438 1 196 . 1 1 98 98 LEU CB C 13 43.454 . . . . . . . . 89 LEU CB . 27438 1 197 . 1 1 98 98 LEU N N 15 124.540 . . . . . . . . 89 LEU N . 27438 1 198 . 1 1 102 102 GLY H H 1 8.441 . . . . . . . . 93 GLY HN . 27438 1 199 . 1 1 102 102 GLY CA C 13 48.578 . . . . . . . . 93 GLY CA . 27438 1 200 . 1 1 102 102 GLY N N 15 107.361 . . . . . . . . 93 GLY N . 27438 1 201 . 1 1 103 103 PRO CA C 13 64.443 . . . . . . . . 94 PRO CA . 27438 1 202 . 1 1 104 104 GLY H H 1 7.892 . . . . . . . . 95 GLY HN . 27438 1 203 . 1 1 104 104 GLY CA C 13 47.247 . . . . . . . . 95 GLY CA . 27438 1 204 . 1 1 104 104 GLY N N 15 107.240 . . . . . . . . 95 GLY N . 27438 1 205 . 1 1 105 105 PHE H H 1 8.634 . . . . . . . . 96 PHE HN . 27438 1 206 . 1 1 105 105 PHE CA C 13 60.536 . . . . . . . . 96 PHE CA . 27438 1 207 . 1 1 105 105 PHE N N 15 122.156 . . . . . . . . 96 PHE N . 27438 1 208 . 1 1 106 106 LEU H H 1 8.489 . . . . . . . . 97 LEU HN . 27438 1 209 . 1 1 106 106 LEU CA C 13 59.067 . . . . . . . . 97 LEU CA . 27438 1 210 . 1 1 106 106 LEU N N 15 119.754 . . . . . . . . 97 LEU N . 27438 1 211 . 1 1 107 107 SER H H 1 7.993 . . . . . . . . 98 SER HN . 27438 1 212 . 1 1 107 107 SER CA C 13 62.695 . . . . . . . . 98 SER CA . 27438 1 213 . 1 1 107 107 SER N N 15 113.632 . . . . . . . . 98 SER N . 27438 1 214 . 1 1 108 108 LEU H H 1 8.092 . . . . . . . . 99 LEU HN . 27438 1 215 . 1 1 108 108 LEU CA C 13 57.605 . . . . . . . . 99 LEU CA . 27438 1 216 . 1 1 108 108 LEU N N 15 122.772 . . . . . . . . 99 LEU N . 27438 1 217 . 1 1 109 109 GLY H H 1 8.698 . . . . . . . . 100 GLY HN . 27438 1 218 . 1 1 109 109 GLY CA C 13 47.954 . . . . . . . . 100 GLY CA . 27438 1 219 . 1 1 109 109 GLY N N 15 106.992 . . . . . . . . 100 GLY N . 27438 1 220 . 1 1 110 110 LEU H H 1 8.103 . . . . . . . . 101 LEU HN . 27438 1 221 . 1 1 110 110 LEU CA C 13 57.856 . . . . . . . . 101 LEU CA . 27438 1 222 . 1 1 110 110 LEU N N 15 121.048 . . . . . . . . 101 LEU N . 27438 1 223 . 1 1 111 111 MET H H 1 8.393 . . . . . . . . 102 MET HN . 27438 1 224 . 1 1 111 111 MET CA C 13 58.402 . . . . . . . . 102 MET CA . 27438 1 225 . 1 1 111 111 MET N N 15 121.426 . . . . . . . . 102 MET N . 27438 1 226 . 1 1 112 112 MET H H 1 7.967 . . . . . . . . 103 MET HN . 27438 1 227 . 1 1 112 112 MET CA C 13 58.355 . . . . . . . . 103 MET CA . 27438 1 228 . 1 1 112 112 MET N N 15 120.942 . . . . . . . . 103 MET N . 27438 1 229 . 1 1 113 113 LEU H H 1 7.581 . . . . . . . . 104 LEU HN . 27438 1 230 . 1 1 113 113 LEU CA C 13 63.117 . . . . . . . . 104 LEU CA . 27438 1 231 . 1 1 113 113 LEU N N 15 117.099 . . . . . . . . 104 LEU N . 27438 1 232 . 1 1 114 114 VAL H H 1 8.240 . . . . . . . . 105 VAL HN . 27438 1 233 . 1 1 114 114 VAL CA C 13 66.404 . . . . . . . . 105 VAL CA . 27438 1 234 . 1 1 114 114 VAL N N 15 121.269 . . . . . . . . 105 VAL N . 27438 1 235 . 1 1 115 115 CYS H H 1 8.268 . . . . . . . . 106 CYS HN . 27438 1 236 . 1 1 115 115 CYS CA C 13 63.702 . . . . . . . . 106 CYS CA . 27438 1 237 . 1 1 115 115 CYS N N 15 117.136 . . . . . . . . 106 CYS N . 27438 1 238 . 1 1 116 116 GLY H H 1 8.193 . . . . . . . . 107 GLY HN . 27438 1 239 . 1 1 116 116 GLY CA C 13 47.311 . . . . . . . . 107 GLY CA . 27438 1 240 . 1 1 116 116 GLY N N 15 104.672 . . . . . . . . 107 GLY N . 27438 1 241 . 1 1 117 117 LEU H H 1 7.815 . . . . . . . . 108 LEU HN . 27438 1 242 . 1 1 117 117 LEU CA C 13 58.931 . . . . . . . . 108 LEU CA . 27438 1 243 . 1 1 117 117 LEU N N 15 119.217 . . . . . . . . 108 LEU N . 27438 1 244 . 1 1 118 118 VAL H H 1 8.048 . . . . . . . . 109 VAL HN . 27438 1 245 . 1 1 118 118 VAL CA C 13 61.638 . . . . . . . . 109 VAL CA . 27438 1 246 . 1 1 118 118 VAL N N 15 122.597 . . . . . . . . 109 VAL N . 27438 1 247 . 1 1 119 119 TRP H H 1 8.220 . . . . . . . . 110 TRP HN . 27438 1 248 . 1 1 119 119 TRP CA C 13 58.654 . . . . . . . . 110 TRP CA . 27438 1 249 . 1 1 119 119 TRP N N 15 119.010 . . . . . . . . 110 TRP N . 27438 1 250 . 1 1 126 126 LYS H H 1 7.938 . . . . . . . . 117 LYS HN . 27438 1 251 . 1 1 126 126 LYS CA C 13 55.315 . . . . . . . . 117 LYS CA . 27438 1 252 . 1 1 126 126 LYS N N 15 120.023 . . . . . . . . 117 LYS N . 27438 1 253 . 1 1 127 127 GLN H H 1 8.045 . . . . . . . . 118 GLN HN . 27438 1 254 . 1 1 127 127 GLN CA C 13 58.763 . . . . . . . . 118 GLN CA . 27438 1 255 . 1 1 127 127 GLN N N 15 119.533 . . . . . . . . 118 GLN N . 27438 1 256 . 1 1 128 128 LYS H H 1 8.039 . . . . . . . . 119 LYS HN . 27438 1 257 . 1 1 128 128 LYS CA C 13 63.056 . . . . . . . . 119 LYS CA . 27438 1 258 . 1 1 128 128 LYS N N 15 121.261 . . . . . . . . 119 LYS N . 27438 1 259 . 1 1 129 129 HIS H H 1 8.316 . . . . . . . . 120 HIS HN . 27438 1 260 . 1 1 129 129 HIS CA C 13 57.596 . . . . . . . . 120 HIS CA . 27438 1 261 . 1 1 129 129 HIS N N 15 120.580 . . . . . . . . 120 HIS N . 27438 1 262 . 1 1 130 130 ARG H H 1 8.236 . . . . . . . . 121 ARG HN . 27438 1 263 . 1 1 130 130 ARG CA C 13 58.255 . . . . . . . . 121 ARG CA . 27438 1 264 . 1 1 130 130 ARG N N 15 120.326 . . . . . . . . 121 ARG N . 27438 1 265 . 1 1 131 131 GLN H H 1 8.343 . . . . . . . . 122 GLN HN . 27438 1 266 . 1 1 131 131 GLN CA C 13 59.202 . . . . . . . . 122 GLN CA . 27438 1 267 . 1 1 131 131 GLN N N 15 120.105 . . . . . . . . 122 GLN N . 27438 1 268 . 1 1 132 132 LYS H H 1 8.303 . . . . . . . . 123 LYS HN . 27438 1 269 . 1 1 132 132 LYS CA C 13 60.685 . . . . . . . . 123 LYS CA . 27438 1 270 . 1 1 132 132 LYS N N 15 118.832 . . . . . . . . 123 LYS N . 27438 1 271 . 1 1 133 133 SER H H 1 8.350 . . . . . . . . 124 SER HN . 27438 1 272 . 1 1 133 133 SER CA C 13 57.532 . . . . . . . . 124 SER CA . 27438 1 273 . 1 1 133 133 SER N N 15 119.529 . . . . . . . . 124 SER N . 27438 1 274 . 1 1 134 134 ASN H H 1 8.125 . . . . . . . . 125 ASN HN . 27438 1 275 . 1 1 134 134 ASN CA C 13 61.850 . . . . . . . . 125 ASN CA . 27438 1 276 . 1 1 134 134 ASN CB C 13 40.791 . . . . . . . . 125 ASN CB . 27438 1 277 . 1 1 134 134 ASN N N 15 114.527 . . . . . . . . 125 ASN N . 27438 1 278 . 1 1 135 135 PHE H H 1 7.357 . . . . . . . . 126 PHE HN . 27438 1 279 . 1 1 135 135 PHE CA C 13 63.992 . . . . . . . . 126 PHE CA . 27438 1 280 . 1 1 135 135 PHE CB C 13 36.902 . . . . . . . . 126 PHE CB . 27438 1 281 . 1 1 135 135 PHE N N 15 119.629 . . . . . . . . 126 PHE N . 27438 1 282 . 1 1 136 136 LEU H H 1 8.120 . . . . . . . . 127 LEU HN . 27438 1 283 . 1 1 136 136 LEU CA C 13 58.524 . . . . . . . . 127 LEU CA . 27438 1 284 . 1 1 136 136 LEU CB C 13 40.561 . . . . . . . . 127 LEU CB . 27438 1 285 . 1 1 136 136 LEU N N 15 121.345 . . . . . . . . 127 LEU N . 27438 1 286 . 1 1 137 137 ARG H H 1 8.200 . . . . . . . . 128 ARG HN . 27438 1 287 . 1 1 137 137 ARG CA C 13 58.960 . . . . . . . . 128 ARG CA . 27438 1 288 . 1 1 137 137 ARG CB C 13 31.889 . . . . . . . . 128 ARG CB . 27438 1 289 . 1 1 137 137 ARG N N 15 116.589 . . . . . . . . 128 ARG N . 27438 1 290 . 1 1 138 138 SER H H 1 7.653 . . . . . . . . 129 SER HN . 27438 1 291 . 1 1 138 138 SER CA C 13 61.701 . . . . . . . . 129 SER CA . 27438 1 292 . 1 1 138 138 SER CB C 13 62.642 . . . . . . . . 129 SER CB . 27438 1 293 . 1 1 138 138 SER N N 15 116.565 . . . . . . . . 129 SER N . 27438 1 294 . 1 1 139 139 LEU H H 1 8.395 . . . . . . . . 130 LEU HN . 27438 1 295 . 1 1 139 139 LEU CA C 13 57.577 . . . . . . . . 130 LEU CA . 27438 1 296 . 1 1 139 139 LEU CB C 13 40.643 . . . . . . . . 130 LEU CB . 27438 1 297 . 1 1 139 139 LEU N N 15 121.452 . . . . . . . . 130 LEU N . 27438 1 298 . 1 1 140 140 LYS H H 1 8.060 . . . . . . . . 131 LYS HN . 27438 1 299 . 1 1 140 140 LYS CA C 13 59.888 . . . . . . . . 131 LYS CA . 27438 1 300 . 1 1 140 140 LYS CB C 13 32.568 . . . . . . . . 131 LYS CB . 27438 1 301 . 1 1 140 140 LYS N N 15 118.024 . . . . . . . . 131 LYS N . 27438 1 302 . 1 1 141 141 SER H H 1 7.881 . . . . . . . . 132 SER HN . 27438 1 303 . 1 1 141 141 SER CA C 13 60.778 . . . . . . . . 132 SER CA . 27438 1 304 . 1 1 141 141 SER CB C 13 63.143 . . . . . . . . 132 SER CB . 27438 1 305 . 1 1 141 141 SER N N 15 113.095 . . . . . . . . 132 SER N . 27438 1 306 . 1 1 142 142 PHE H H 1 7.745 . . . . . . . . 133 PHE HN . 27438 1 307 . 1 1 142 142 PHE CA C 13 60.090 . . . . . . . . 133 PHE CA . 27438 1 308 . 1 1 142 142 PHE CB C 13 39.340 . . . . . . . . 133 PHE CB . 27438 1 309 . 1 1 142 142 PHE N N 15 120.936 . . . . . . . . 133 PHE N . 27438 1 310 . 1 1 143 143 PHE H H 1 7.680 . . . . . . . . 134 PHE HN . 27438 1 311 . 1 1 143 143 PHE CA C 13 59.537 . . . . . . . . 134 PHE CA . 27438 1 312 . 1 1 143 143 PHE CB C 13 40.527 . . . . . . . . 134 PHE CB . 27438 1 313 . 1 1 143 143 PHE N N 15 113.822 . . . . . . . . 134 PHE N . 27438 1 314 . 1 1 144 144 LEU H H 1 7.790 . . . . . . . . 135 LEU HN . 27438 1 315 . 1 1 144 144 LEU CA C 13 54.856 . . . . . . . . 135 LEU CA . 27438 1 316 . 1 1 144 144 LEU CB C 13 42.592 . . . . . . . . 135 LEU CB . 27438 1 317 . 1 1 144 144 LEU N N 15 118.102 . . . . . . . . 135 LEU N . 27438 1 318 . 1 1 145 145 THR H H 1 7.734 . . . . . . . . 136 THR HN . 27438 1 319 . 1 1 145 145 THR CA C 13 61.881 . . . . . . . . 136 THR CA . 27438 1 320 . 1 1 145 145 THR CB C 13 69.158 . . . . . . . . 136 THR CB . 27438 1 321 . 1 1 145 145 THR N N 15 114.311 . . . . . . . . 136 THR N . 27438 1 322 . 1 1 146 146 ARG H H 1 7.677 . . . . . . . . 137 ARG HN . 27438 1 323 . 1 1 146 146 ARG CA C 13 57.056 . . . . . . . . 137 ARG CA . 27438 1 324 . 1 1 146 146 ARG CB C 13 30.510 . . . . . . . . 137 ARG CB . 27438 1 stop_ save_