data_26662 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26662 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for c-Myc-1-88 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-17 _Entry.Accession_date 2015-09-17 _Entry.Last_release_date 2015-12-17 _Entry.Original_release_date 2015-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sara Helander . . . 26662 2 Meri Montecchio . . . 26662 3 Maria Sunnerhagen . . . 26662 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Linkoping University' . 26662 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26662 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 26662 '15N chemical shifts' 76 26662 '1H chemical shifts' 71 26662 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 . . 2015-12-17 . original BMRB . 26662 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26663 c-Myc 26662 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26662 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26655473 _Citation.Full_citation . _Citation.Title ; Pre-Anchoring of Pin1 to Unphosphorylated c-Myc in a Fuzzy Complex Regulates c-Myc Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2267 _Citation.Page_last 2279 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sara Helander . . . 26662 1 2 Meri Montecchio . . . 26662 1 3 Robert Pilstal . . . 26662 1 4 Yulong Su . . . 26662 1 5 Jacob Kuruvilla . . . 26662 1 6 Malin Elven . . . 26662 1 7 Javed Ziauddin . M.E. . 26662 1 8 Madhanagopal Anandapadamanaban . . . 26662 1 9 Susana Cristobal . . . 26662 1 10 Patrik Lundstrom . . . 26662 1 11 Rosalie Sears . . . 26662 1 12 Bjorn Wallner . . . 26662 1 13 Maria Sunnerhagen . . . 26662 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'intrinsically disordered' 26662 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26662 _Assembly.ID 1 _Assembly.Name c-Myc _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 10156 _Assembly.Enzyme_commission_number . _Assembly.Details 'Myc fragment comprising residues 1-88 of intact c-Myc' _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 c-Myc 1 $c-Myc A . yes 'intrinsically disordered' no no . . . 26662 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-Myc _Entity.Sf_category entity _Entity.Sf_framecode c-Myc _Entity.Entry_ID 26662 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c-Myc _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 ; HHHHHHMPLNVSFTNRNYDL DYDSVQPYFYCDEEENFYQQ QQQSELQPPAPSEDIWKKFE LLPTPPLSPSRRSGLCSPSY VAVTPFSLRGDNDG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Residues 1-88 of human c-Myc' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP P01106 . MYC_HUMAN . . . . . . . . . . . . . . 26662 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Proto-oncogenic transcription factor, universal regulator of cell growth, apoptosis and proliferation in both normal and tumor cells. ; 26662 1 stop_ 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 -5 HIS . 26662 1 2 -4 HIS . 26662 1 3 -3 HIS . 26662 1 4 -2 HIS . 26662 1 5 -1 HIS . 26662 1 6 0 HIS . 26662 1 7 1 MET . 26662 1 8 2 PRO . 26662 1 9 3 LEU . 26662 1 10 4 ASN . 26662 1 11 5 VAL . 26662 1 12 6 SER . 26662 1 13 7 PHE . 26662 1 14 8 THR . 26662 1 15 9 ASN . 26662 1 16 10 ARG . 26662 1 17 11 ASN . 26662 1 18 12 TYR . 26662 1 19 13 ASP . 26662 1 20 14 LEU . 26662 1 21 15 ASP . 26662 1 22 16 TYR . 26662 1 23 17 ASP . 26662 1 24 18 SER . 26662 1 25 19 VAL . 26662 1 26 20 GLN . 26662 1 27 21 PRO . 26662 1 28 22 TYR . 26662 1 29 23 PHE . 26662 1 30 24 TYR . 26662 1 31 25 CYS . 26662 1 32 26 ASP . 26662 1 33 27 GLU . 26662 1 34 28 GLU . 26662 1 35 29 GLU . 26662 1 36 30 ASN . 26662 1 37 31 PHE . 26662 1 38 32 TYR . 26662 1 39 33 GLN . 26662 1 40 34 GLN . 26662 1 41 35 GLN . 26662 1 42 36 GLN . 26662 1 43 37 GLN . 26662 1 44 38 SER . 26662 1 45 39 GLU . 26662 1 46 40 LEU . 26662 1 47 41 GLN . 26662 1 48 42 PRO . 26662 1 49 43 PRO . 26662 1 50 44 ALA . 26662 1 51 45 PRO . 26662 1 52 46 SER . 26662 1 53 47 GLU . 26662 1 54 48 ASP . 26662 1 55 49 ILE . 26662 1 56 50 TRP . 26662 1 57 51 LYS . 26662 1 58 52 LYS . 26662 1 59 53 PHE . 26662 1 60 54 GLU . 26662 1 61 55 LEU . 26662 1 62 56 LEU . 26662 1 63 57 PRO . 26662 1 64 58 THR . 26662 1 65 59 PRO . 26662 1 66 60 PRO . 26662 1 67 61 LEU . 26662 1 68 62 SER . 26662 1 69 63 PRO . 26662 1 70 64 SER . 26662 1 71 65 ARG . 26662 1 72 66 ARG . 26662 1 73 67 SER . 26662 1 74 68 GLY . 26662 1 75 69 LEU . 26662 1 76 70 CYS . 26662 1 77 71 SER . 26662 1 78 72 PRO . 26662 1 79 73 SER . 26662 1 80 74 TYR . 26662 1 81 75 VAL . 26662 1 82 76 ALA . 26662 1 83 77 VAL . 26662 1 84 78 THR . 26662 1 85 79 PRO . 26662 1 86 80 PHE . 26662 1 87 81 SER . 26662 1 88 82 LEU . 26662 1 89 83 ARG . 26662 1 90 84 GLY . 26662 1 91 85 ASP . 26662 1 92 86 ASN . 26662 1 93 87 ASP . 26662 1 94 88 GLY . 26662 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 . HIS 1 1 26662 1 . HIS 2 2 26662 1 . HIS 3 3 26662 1 . HIS 4 4 26662 1 . HIS 5 5 26662 1 . HIS 6 6 26662 1 . MET 7 7 26662 1 . PRO 8 8 26662 1 . LEU 9 9 26662 1 . ASN 10 10 26662 1 . VAL 11 11 26662 1 . SER 12 12 26662 1 . PHE 13 13 26662 1 . THR 14 14 26662 1 . ASN 15 15 26662 1 . ARG 16 16 26662 1 . ASN 17 17 26662 1 . TYR 18 18 26662 1 . ASP 19 19 26662 1 . LEU 20 20 26662 1 . ASP 21 21 26662 1 . TYR 22 22 26662 1 . ASP 23 23 26662 1 . SER 24 24 26662 1 . VAL 25 25 26662 1 . GLN 26 26 26662 1 . PRO 27 27 26662 1 . TYR 28 28 26662 1 . PHE 29 29 26662 1 . TYR 30 30 26662 1 . CYS 31 31 26662 1 . ASP 32 32 26662 1 . GLU 33 33 26662 1 . GLU 34 34 26662 1 . GLU 35 35 26662 1 . ASN 36 36 26662 1 . PHE 37 37 26662 1 . TYR 38 38 26662 1 . GLN 39 39 26662 1 . GLN 40 40 26662 1 . GLN 41 41 26662 1 . GLN 42 42 26662 1 . GLN 43 43 26662 1 . SER 44 44 26662 1 . GLU 45 45 26662 1 . LEU 46 46 26662 1 . GLN 47 47 26662 1 . PRO 48 48 26662 1 . PRO 49 49 26662 1 . ALA 50 50 26662 1 . PRO 51 51 26662 1 . SER 52 52 26662 1 . GLU 53 53 26662 1 . ASP 54 54 26662 1 . ILE 55 55 26662 1 . TRP 56 56 26662 1 . LYS 57 57 26662 1 . LYS 58 58 26662 1 . PHE 59 59 26662 1 . GLU 60 60 26662 1 . LEU 61 61 26662 1 . LEU 62 62 26662 1 . PRO 63 63 26662 1 . THR 64 64 26662 1 . PRO 65 65 26662 1 . PRO 66 66 26662 1 . LEU 67 67 26662 1 . SER 68 68 26662 1 . PRO 69 69 26662 1 . SER 70 70 26662 1 . ARG 71 71 26662 1 . ARG 72 72 26662 1 . SER 73 73 26662 1 . GLY 74 74 26662 1 . LEU 75 75 26662 1 . CYS 76 76 26662 1 . SER 77 77 26662 1 . PRO 78 78 26662 1 . SER 79 79 26662 1 . TYR 80 80 26662 1 . VAL 81 81 26662 1 . ALA 82 82 26662 1 . VAL 83 83 26662 1 . THR 84 84 26662 1 . PRO 85 85 26662 1 . PHE 86 86 26662 1 . SER 87 87 26662 1 . LEU 88 88 26662 1 . ARG 89 89 26662 1 . GLY 90 90 26662 1 . ASP 91 91 26662 1 . ASN 92 92 26662 1 . ASP 93 93 26662 1 . GLY 94 94 26662 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 26662 _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 $c-Myc . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26662 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 26662 _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 $c-Myc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETMCSIII . . . 26662 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26662 _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 c-Myc '[U-99% 13C; U-99% 15N]' . . 1 $c-Myc . . . 80 250 uM . . . . 26662 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26662 1 3 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 26662 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26662 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26662 1 6 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26662 1 7 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26662 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 26662 _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' 120 . mM 26662 1 pH 7.0 . pH 26662 1 pressure 1 . atm 26662 1 temperature 273 . K 26662 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26662 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26662 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26662 1 'data analysis' 26662 1 'peak picking' 26662 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26662 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26662 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Analysis of data processing' 26662 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26662 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26662 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26662 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 26662 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26662 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'With cryoprobe' . . 26662 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 26662 _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 . . . . . . . . . . . . . . . . 26662 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 1 8 '3D HACAN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26662 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 26662 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26662 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26662 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26662 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 26662 _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 2 '3D HNCO' . . . 26662 1 3 '3D HNCA' . . . 26662 1 4 '3D HNCACB' . . . 26662 1 5 '3D HN(CO)CA' . . . 26662 1 6 '3D HN(CA)CO' . . . 26662 1 7 '3D CBCA(CO)NH' . . . 26662 1 8 '3D HACAN' . . . 26662 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 LEU C C 13 177.176 . . . . . . . 3 L CO . 26662 1 2 . 1 1 9 9 LEU CA C 13 55.353 . . . . . . . 3 L CA . 26662 1 3 . 1 1 9 9 LEU CB C 13 42.471 . . . . . . . 3 L CB . 26662 1 4 . 1 1 10 10 ASN H H 1 8.418 . . . . . . . 4 N H . 26662 1 5 . 1 1 10 10 ASN C C 13 175.138 . . . . . . . 4 N CO . 26662 1 6 . 1 1 10 10 ASN CA C 13 53.236 . . . . . . . 4 N CA . 26662 1 7 . 1 1 10 10 ASN CB C 13 38.664 . . . . . . . 4 N CB . 26662 1 8 . 1 1 10 10 ASN N N 15 118.831 . . . . . . . 4 N N . 26662 1 9 . 1 1 11 11 VAL H H 1 7.963 . . . . . . . 5 V H . 26662 1 10 . 1 1 11 11 VAL C C 13 175.895 . . . . . . . 5 V CO . 26662 1 11 . 1 1 11 11 VAL CA C 13 62.257 . . . . . . . 5 V CA . 26662 1 12 . 1 1 11 11 VAL CB C 13 32.782 . . . . . . . 5 V CB . 26662 1 13 . 1 1 11 11 VAL N N 15 119.438 . . . . . . . 5 V N . 26662 1 14 . 1 1 12 12 SER H H 1 8.309 . . . . . . . 6 S H . 26662 1 15 . 1 1 12 12 SER C C 13 174.321 . . . . . . . 6 S CO . 26662 1 16 . 1 1 12 12 SER CA C 13 58.336 . . . . . . . 6 S CA . 26662 1 17 . 1 1 12 12 SER CB C 13 63.858 . . . . . . . 6 S CB . 26662 1 18 . 1 1 12 12 SER N N 15 118.491 . . . . . . . 6 S N . 26662 1 19 . 1 1 13 13 PHE H H 1 8.265 . . . . . . . 7 F H . 26662 1 20 . 1 1 13 13 PHE C C 13 175.954 . . . . . . . 7 F CO . 26662 1 21 . 1 1 13 13 PHE CA C 13 57.982 . . . . . . . 7 F CA . 26662 1 22 . 1 1 13 13 PHE CB C 13 39.510 . . . . . . . 7 F CB . 26662 1 23 . 1 1 13 13 PHE N N 15 122.099 . . . . . . . 7 F N . 26662 1 24 . 1 1 14 14 THR H H 1 8.068 . . . . . . . 8 T H . 26662 1 25 . 1 1 14 14 THR C C 13 174.111 . . . . . . . 8 T CO . 26662 1 26 . 1 1 14 14 THR CA C 13 62.097 . . . . . . . 8 T CA . 26662 1 27 . 1 1 14 14 THR CB C 13 69.656 . . . . . . . 8 T CB . 26662 1 28 . 1 1 14 14 THR N N 15 114.450 . . . . . . . 8 T N . 26662 1 29 . 1 1 15 15 ASN H H 1 8.329 . . . . . . . 9 N H . 26662 1 30 . 1 1 15 15 ASN C C 13 174.930 . . . . . . . 9 N CO . 26662 1 31 . 1 1 15 15 ASN N N 15 120.736 . . . . . . . 9 N N . 26662 1 32 . 1 1 16 16 ARG H H 1 8.151 . . . . . . . 10 R H . 26662 1 33 . 1 1 16 16 ARG C C 13 175.433 . . . . . . . 10 R CO . 26662 1 34 . 1 1 16 16 ARG CA C 13 56.185 . . . . . . . 10 R CA . 26662 1 35 . 1 1 16 16 ARG CB C 13 30.743 . . . . . . . 10 R CB . 26662 1 36 . 1 1 16 16 ARG N N 15 120.932 . . . . . . . 10 R N . 26662 1 37 . 1 1 17 17 ASN H H 1 8.373 . . . . . . . 11 N H . 26662 1 38 . 1 1 17 17 ASN C C 13 174.984 . . . . . . . 11 N CO . 26662 1 39 . 1 1 17 17 ASN CA C 13 53.111 . . . . . . . 11 N CA . 26662 1 40 . 1 1 17 17 ASN CB C 13 38.747 . . . . . . . 11 N CB . 26662 1 41 . 1 1 17 17 ASN N N 15 119.389 . . . . . . . 11 N N . 26662 1 42 . 1 1 18 18 TYR H H 1 8.089 . . . . . . . 12 Y H . 26662 1 43 . 1 1 18 18 TYR C C 13 175.364 . . . . . . . 12 Y CO . 26662 1 44 . 1 1 18 18 TYR CA C 13 58.204 . . . . . . . 12 Y CA . 26662 1 45 . 1 1 18 18 TYR CB C 13 39.192 . . . . . . . 12 Y CB . 26662 1 46 . 1 1 18 18 TYR N N 15 120.597 . . . . . . . 12 Y N . 26662 1 47 . 1 1 19 19 ASP H H 1 8.284 . . . . . . . 13 D H . 26662 1 48 . 1 1 19 19 ASP C C 13 176.075 . . . . . . . 13 D CO . 26662 1 49 . 1 1 19 19 ASP CA C 13 54.558 . . . . . . . 13 D CA . 26662 1 50 . 1 1 19 19 ASP CB C 13 41.040 . . . . . . . 13 D CB . 26662 1 51 . 1 1 19 19 ASP N N 15 120.903 . . . . . . . 13 D N . 26662 1 52 . 1 1 20 20 LEU H H 1 7.924 . . . . . . . 14 L H . 26662 1 53 . 1 1 20 20 LEU C C 13 176.885 . . . . . . . 14 L CO . 26662 1 54 . 1 1 20 20 LEU CA C 13 55.245 . . . . . . . 14 L CA . 26662 1 55 . 1 1 20 20 LEU CB C 13 42.482 . . . . . . . 14 L CB . 26662 1 56 . 1 1 20 20 LEU N N 15 121.311 . . . . . . . 14 L N . 26662 1 57 . 1 1 21 21 ASP H H 1 8.231 . . . . . . . 15 D H . 26662 1 58 . 1 1 21 21 ASP C C 13 176.242 . . . . . . . 15 D CO . 26662 1 59 . 1 1 21 21 ASP CA C 13 54.178 . . . . . . . 15 D CA . 26662 1 60 . 1 1 21 21 ASP CB C 13 40.976 . . . . . . . 15 D CB . 26662 1 61 . 1 1 21 21 ASP N N 15 120.045 . . . . . . . 15 D N . 26662 1 62 . 1 1 22 22 TYR H H 1 8.028 . . . . . . . 16 Y H . 26662 1 63 . 1 1 22 22 TYR C C 13 175.750 . . . . . . . 16 Y CO . 26662 1 64 . 1 1 22 22 TYR CA C 13 58.673 . . . . . . . 16 Y CA . 26662 1 65 . 1 1 22 22 TYR CB C 13 38.898 . . . . . . . 16 Y CB . 26662 1 66 . 1 1 22 22 TYR N N 15 120.770 . . . . . . . 16 Y N . 26662 1 67 . 1 1 23 23 ASP H H 1 8.278 . . . . . . . 17 D H . 26662 1 68 . 1 1 23 23 ASP C C 13 176.185 . . . . . . . 17 D CO . 26662 1 69 . 1 1 23 23 ASP CA C 13 54.665 . . . . . . . 17 D CA . 26662 1 70 . 1 1 23 23 ASP CB C 13 41.304 . . . . . . . 17 D CB . 26662 1 71 . 1 1 23 23 ASP N N 15 120.914 . . . . . . . 17 D N . 26662 1 72 . 1 1 24 24 SER H H 1 7.963 . . . . . . . 18 S H . 26662 1 73 . 1 1 24 24 SER C C 13 174.458 . . . . . . . 18 S CO . 26662 1 74 . 1 1 24 24 SER CA C 13 58.600 . . . . . . . 18 S CA . 26662 1 75 . 1 1 24 24 SER CB C 13 63.839 . . . . . . . 18 S CB . 26662 1 76 . 1 1 24 24 SER N N 15 115.338 . . . . . . . 18 S N . 26662 1 77 . 1 1 25 25 VAL H H 1 8.042 . . . . . . . 19 V H . 26662 1 78 . 1 1 25 25 VAL C C 13 175.908 . . . . . . . 19 V CO . 26662 1 79 . 1 1 25 25 VAL CA C 13 62.332 . . . . . . . 19 V CA . 26662 1 80 . 1 1 25 25 VAL CB C 13 32.527 . . . . . . . 19 V CB . 26662 1 81 . 1 1 25 25 VAL N N 15 121.117 . . . . . . . 19 V N . 26662 1 82 . 1 1 26 26 GLN H H 1 8.263 . . . . . . . 20 Q H . 26662 1 83 . 1 1 26 26 GLN C C 13 173.806 . . . . . . . 20 Q CO . 26662 1 84 . 1 1 26 26 GLN CA C 13 53.606 . . . . . . . 20 Q CA . 26662 1 85 . 1 1 26 26 GLN CB C 13 28.997 . . . . . . . 20 Q CB . 26662 1 86 . 1 1 26 26 GLN N N 15 124.399 . . . . . . . 20 Q N . 26662 1 87 . 1 1 27 27 PRO C C 13 176.104 . . . . . . . 21 P CO . 26662 1 88 . 1 1 27 27 PRO CA C 13 63.190 . . . . . . . 21 P CA . 26662 1 89 . 1 1 27 27 PRO CB C 13 32.005 . . . . . . . 21 P CB . 26662 1 90 . 1 1 28 28 TYR H H 1 7.990 . . . . . . . 22 Y H . 26662 1 91 . 1 1 28 28 TYR C C 13 174.923 . . . . . . . 22 Y CO . 26662 1 92 . 1 1 28 28 TYR CA C 13 57.701 . . . . . . . 22 Y CA . 26662 1 93 . 1 1 28 28 TYR CB C 13 39.016 . . . . . . . 22 Y CB . 26662 1 94 . 1 1 28 28 TYR N N 15 119.665 . . . . . . . 22 Y N . 26662 1 95 . 1 1 29 29 PHE H H 1 7.908 . . . . . . . 23 F H . 26662 1 96 . 1 1 29 29 PHE C C 13 174.565 . . . . . . . 23 F CO . 26662 1 97 . 1 1 29 29 PHE CA C 13 57.186 . . . . . . . 23 F CA . 26662 1 98 . 1 1 29 29 PHE CB C 13 40.203 . . . . . . . 23 F CB . 26662 1 99 . 1 1 29 29 PHE N N 15 122.088 . . . . . . . 23 F N . 26662 1 100 . 1 1 30 30 TYR H H 1 8.145 . . . . . . . 24 Y H . 26662 1 101 . 1 1 30 30 TYR C C 13 175.050 . . . . . . . 24 Y CO . 26662 1 102 . 1 1 30 30 TYR CA C 13 57.777 . . . . . . . 24 Y CA . 26662 1 103 . 1 1 30 30 TYR CB C 13 38.944 . . . . . . . 24 Y CB . 26662 1 104 . 1 1 30 30 TYR N N 15 122.029 . . . . . . . 24 Y N . 26662 1 105 . 1 1 31 31 CYS H H 1 8.177 . . . . . . . 25 C H . 26662 1 106 . 1 1 31 31 CYS C C 13 173.816 . . . . . . . 25 C CO . 26662 1 107 . 1 1 31 31 CYS CA C 13 57.881 . . . . . . . 25 C CA . 26662 1 108 . 1 1 31 31 CYS CB C 13 28.753 . . . . . . . 25 C CB . 26662 1 109 . 1 1 31 31 CYS N N 15 121.022 . . . . . . . 25 C N . 26662 1 110 . 1 1 32 32 ASP H H 1 8.458 . . . . . . . 26 D H . 26662 1 111 . 1 1 32 32 ASP C C 13 176.474 . . . . . . . 26 D CO . 26662 1 112 . 1 1 32 32 ASP CA C 13 54.894 . . . . . . . 26 D CA . 26662 1 113 . 1 1 32 32 ASP CB C 13 41.152 . . . . . . . 26 D CB . 26662 1 114 . 1 1 32 32 ASP N N 15 123.518 . . . . . . . 26 D N . 26662 1 115 . 1 1 33 33 GLU H H 1 8.452 . . . . . . . 27 E H . 26662 1 116 . 1 1 33 33 GLU C C 13 177.120 . . . . . . . 27 E CO . 26662 1 117 . 1 1 33 33 GLU CA C 13 57.552 . . . . . . . 27 E CA . 26662 1 118 . 1 1 33 33 GLU CB C 13 30.346 . . . . . . . 27 E CB . 26662 1 119 . 1 1 33 33 GLU N N 15 120.815 . . . . . . . 27 E N . 26662 1 120 . 1 1 34 34 GLU H H 1 8.306 . . . . . . . 28 E H . 26662 1 121 . 1 1 34 34 GLU N N 15 120.647 . . . . . . . 28 E N . 26662 1 122 . 1 1 35 35 GLU C C 13 176.771 . . . . . . . 29 E CO . 26662 1 123 . 1 1 35 35 GLU CA C 13 57.578 . . . . . . . 29 E CA . 26662 1 124 . 1 1 35 35 GLU CB C 13 29.922 . . . . . . . 29 E CB . 26662 1 125 . 1 1 36 36 ASN H H 1 8.330 . . . . . . . 30 N H . 26662 1 126 . 1 1 36 36 ASN C C 13 175.611 . . . . . . . 30 N CO . 26662 1 127 . 1 1 36 36 ASN CA C 13 53.893 . . . . . . . 30 N CA . 26662 1 128 . 1 1 36 36 ASN CB C 13 38.786 . . . . . . . 30 N CB . 26662 1 129 . 1 1 36 36 ASN N N 15 118.615 . . . . . . . 30 N N . 26662 1 130 . 1 1 37 37 PHE H H 1 8.143 . . . . . . . 31 F H . 26662 1 131 . 1 1 37 37 PHE C C 13 176.316 . . . . . . . 31 F CO . 26662 1 132 . 1 1 37 37 PHE CA C 13 59.205 . . . . . . . 31 F CA . 26662 1 133 . 1 1 37 37 PHE CB C 13 39.397 . . . . . . . 31 F CB . 26662 1 134 . 1 1 37 37 PHE N N 15 120.763 . . . . . . . 31 F N . 26662 1 135 . 1 1 38 38 TYR H H 1 8.100 . . . . . . . 32 Y H . 26662 1 136 . 1 1 38 38 TYR C C 13 176.462 . . . . . . . 32 Y CO . 26662 1 137 . 1 1 38 38 TYR CA C 13 59.275 . . . . . . . 32 Y CA . 26662 1 138 . 1 1 38 38 TYR CB C 13 38.434 . . . . . . . 32 Y CB . 26662 1 139 . 1 1 38 38 TYR N N 15 120.008 . . . . . . . 32 Y N . 26662 1 140 . 1 1 39 39 GLN H H 1 8.139 . . . . . . . 33 Q H . 26662 1 141 . 1 1 39 39 GLN C C 13 176.614 . . . . . . . 33 Q CO . 26662 1 142 . 1 1 39 39 GLN CA C 13 56.687 . . . . . . . 33 Q CA . 26662 1 143 . 1 1 39 39 GLN CB C 13 29.173 . . . . . . . 33 Q CB . 26662 1 144 . 1 1 39 39 GLN N N 15 120.598 . . . . . . . 33 Q N . 26662 1 145 . 1 1 42 42 GLN H H 1 8.250 . . . . . . . 36 Q H . 26662 1 146 . 1 1 42 42 GLN N N 15 120.625 . . . . . . . 36 Q N . 26662 1 147 . 1 1 43 43 GLN C C 13 176.316 . . . . . . . 37 Q CO . 26662 1 148 . 1 1 43 43 GLN CA C 13 56.268 . . . . . . . 37 Q CA . 26662 1 149 . 1 1 43 43 GLN CB C 13 29.218 . . . . . . . 37 Q CB . 26662 1 150 . 1 1 44 44 SER H H 1 8.306 . . . . . . . 38 S H . 26662 1 151 . 1 1 44 44 SER C C 13 174.676 . . . . . . . 38 S CO . 26662 1 152 . 1 1 44 44 SER CA C 13 58.878 . . . . . . . 38 S CA . 26662 1 153 . 1 1 44 44 SER CB C 13 63.780 . . . . . . . 38 S CB . 26662 1 154 . 1 1 44 44 SER N N 15 116.680 . . . . . . . 38 S N . 26662 1 155 . 1 1 45 45 GLU H H 1 8.433 . . . . . . . 39 E H . 26662 1 156 . 1 1 45 45 GLU C C 13 176.367 . . . . . . . 39 E CO . 26662 1 157 . 1 1 45 45 GLU CA C 13 56.700 . . . . . . . 39 E CA . 26662 1 158 . 1 1 45 45 GLU CB C 13 30.180 . . . . . . . 39 E CB . 26662 1 159 . 1 1 45 45 GLU N N 15 122.322 . . . . . . . 39 E N . 26662 1 160 . 1 1 46 46 LEU H H 1 8.147 . . . . . . . 40 L H . 26662 1 161 . 1 1 46 46 LEU C C 13 177.036 . . . . . . . 40 L CO . 26662 1 162 . 1 1 46 46 LEU CA C 13 55.059 . . . . . . . 40 L CA . 26662 1 163 . 1 1 46 46 LEU CB C 13 42.491 . . . . . . . 40 L CB . 26662 1 164 . 1 1 46 46 LEU N N 15 122.379 . . . . . . . 40 L N . 26662 1 165 . 1 1 47 47 GLN H H 1 8.278 . . . . . . . 41 Q H . 26662 1 166 . 1 1 47 47 GLN C C 13 173.301 . . . . . . . 41 Q CO . 26662 1 167 . 1 1 47 47 GLN CA C 13 53.403 . . . . . . . 41 Q CA . 26662 1 168 . 1 1 47 47 GLN N N 15 122.117 . . . . . . . 41 Q N . 26662 1 169 . 1 1 49 49 PRO C C 13 176.247 . . . . . . . 43 P CO . 26662 1 170 . 1 1 49 49 PRO CA C 13 62.656 . . . . . . . 43 P CA . 26662 1 171 . 1 1 49 49 PRO CB C 13 32.034 . . . . . . . 43 P CB . 26662 1 172 . 1 1 50 50 ALA H H 1 8.423 . . . . . . . 44 A H . 26662 1 173 . 1 1 50 50 ALA C C 13 175.712 . . . . . . . 44 A CO . 26662 1 174 . 1 1 50 50 ALA CA C 13 50.361 . . . . . . . 44 A CA . 26662 1 175 . 1 1 50 50 ALA CB C 13 18.201 . . . . . . . 44 A CB . 26662 1 176 . 1 1 50 50 ALA N N 15 125.537 . . . . . . . 44 A N . 26662 1 177 . 1 1 51 51 PRO C C 13 177.028 . . . . . . . 45 P CO . 26662 1 178 . 1 1 51 51 PRO CA C 13 63.195 . . . . . . . 45 P CA . 26662 1 179 . 1 1 51 51 PRO CB C 13 32.093 . . . . . . . 45 P CB . 26662 1 180 . 1 1 51 51 PRO N N 15 110.912 . . . . . . . 45 P N . 26662 1 181 . 1 1 52 52 SER H H 1 8.354 . . . . . . . 46 S H . 26662 1 182 . 1 1 52 52 SER C C 13 174.837 . . . . . . . 46 S CO . 26662 1 183 . 1 1 52 52 SER CA C 13 58.476 . . . . . . . 46 S CA . 26662 1 184 . 1 1 52 52 SER CB C 13 63.780 . . . . . . . 46 S CB . 26662 1 185 . 1 1 52 52 SER N N 15 115.759 . . . . . . . 46 S N . 26662 1 186 . 1 1 53 53 GLU H H 1 8.502 . . . . . . . 47 E H . 26662 1 187 . 1 1 53 53 GLU C C 13 176.279 . . . . . . . 47 E CO . 26662 1 188 . 1 1 53 53 GLU CA C 13 56.826 . . . . . . . 47 E CA . 26662 1 189 . 1 1 53 53 GLU CB C 13 30.396 . . . . . . . 47 E CB . 26662 1 190 . 1 1 53 53 GLU N N 15 122.504 . . . . . . . 47 E N . 26662 1 191 . 1 1 54 54 ASP H H 1 8.336 . . . . . . . 48 D H . 26662 1 192 . 1 1 54 54 ASP C C 13 177.039 . . . . . . . 48 D CO . 26662 1 193 . 1 1 54 54 ASP CA C 13 54.618 . . . . . . . 48 D CA . 26662 1 194 . 1 1 54 54 ASP CB C 13 40.878 . . . . . . . 48 D CB . 26662 1 195 . 1 1 54 54 ASP N N 15 121.024 . . . . . . . 48 D N . 26662 1 196 . 1 1 55 55 ILE H H 1 7.871 . . . . . . . 49 I H . 26662 1 197 . 1 1 55 55 ILE C C 13 176.335 . . . . . . . 49 I CO . 26662 1 198 . 1 1 55 55 ILE CA C 13 62.483 . . . . . . . 49 I CA . 26662 1 199 . 1 1 55 55 ILE CB C 13 38.277 . . . . . . . 49 I CB . 26662 1 200 . 1 1 55 55 ILE N N 15 120.176 . . . . . . . 49 I N . 26662 1 201 . 1 1 56 56 TRP H H 1 7.897 . . . . . . . 50 W H . 26662 1 202 . 1 1 56 56 TRP C C 13 176.782 . . . . . . . 50 W CO . 26662 1 203 . 1 1 56 56 TRP CA C 13 57.568 . . . . . . . 50 W CA . 26662 1 204 . 1 1 56 56 TRP CB C 13 29.320 . . . . . . . 50 W CB . 26662 1 205 . 1 1 56 56 TRP N N 15 121.683 . . . . . . . 50 W N . 26662 1 206 . 1 1 57 57 LYS H H 1 7.756 . . . . . . . 51 K H . 26662 1 207 . 1 1 57 57 LYS C C 13 176.633 . . . . . . . 51 K CO . 26662 1 208 . 1 1 57 57 LYS CA C 13 56.876 . . . . . . . 51 K CA . 26662 1 209 . 1 1 57 57 LYS CB C 13 32.684 . . . . . . . 51 K CB . 26662 1 210 . 1 1 57 57 LYS N N 15 121.529 . . . . . . . 51 K N . 26662 1 211 . 1 1 58 58 LYS H H 1 7.944 . . . . . . . 52 K H . 26662 1 212 . 1 1 58 58 LYS C C 13 176.541 . . . . . . . 52 K CO . 26662 1 213 . 1 1 58 58 LYS CA C 13 56.729 . . . . . . . 52 K CA . 26662 1 214 . 1 1 58 58 LYS CB C 13 32.821 . . . . . . . 52 K CB . 26662 1 215 . 1 1 58 58 LYS N N 15 120.592 . . . . . . . 52 K N . 26662 1 216 . 1 1 59 59 PHE H H 1 8.065 . . . . . . . 53 F H . 26662 1 217 . 1 1 59 59 PHE C C 13 175.647 . . . . . . . 53 F CO . 26662 1 218 . 1 1 59 59 PHE CA C 13 57.832 . . . . . . . 53 F CA . 26662 1 219 . 1 1 59 59 PHE CB C 13 39.509 . . . . . . . 53 F CB . 26662 1 220 . 1 1 59 59 PHE N N 15 120.259 . . . . . . . 53 F N . 26662 1 221 . 1 1 60 60 GLU H H 1 8.156 . . . . . . . 54 E H . 26662 1 222 . 1 1 60 60 GLU C C 13 175.746 . . . . . . . 54 E CO . 26662 1 223 . 1 1 60 60 GLU CA C 13 56.461 . . . . . . . 54 E CA . 26662 1 224 . 1 1 60 60 GLU CB C 13 30.669 . . . . . . . 54 E CB . 26662 1 225 . 1 1 60 60 GLU N N 15 121.851 . . . . . . . 54 E N . 26662 1 226 . 1 1 61 61 LEU H H 1 8.157 . . . . . . . 55 L H . 26662 1 227 . 1 1 61 61 LEU C C 13 176.863 . . . . . . . 55 L CO . 26662 1 228 . 1 1 61 61 LEU CA C 13 54.866 . . . . . . . 55 L CA . 26662 1 229 . 1 1 61 61 LEU CB C 13 42.384 . . . . . . . 55 L CB . 26662 1 230 . 1 1 61 61 LEU N N 15 122.712 . . . . . . . 55 L N . 26662 1 231 . 1 1 62 62 LEU H H 1 8.161 . . . . . . . 56 L H . 26662 1 232 . 1 1 62 62 LEU C C 13 175.060 . . . . . . . 56 L CO . 26662 1 233 . 1 1 62 62 LEU CA C 13 52.771 . . . . . . . 56 L CA . 26662 1 234 . 1 1 62 62 LEU CB C 13 41.787 . . . . . . . 56 L CB . 26662 1 235 . 1 1 62 62 LEU N N 15 124.429 . . . . . . . 56 L N . 26662 1 236 . 1 1 63 63 PRO C C 13 176.793 . . . . . . . 57 P CO . 26662 1 237 . 1 1 63 63 PRO CA C 13 62.934 . . . . . . . 57 P CA . 26662 1 238 . 1 1 63 63 PRO CB C 13 32.063 . . . . . . . 57 P CB . 26662 1 239 . 1 1 63 63 PRO N N 15 111.014 . . . . . . . 57 P N . 26662 1 240 . 1 1 64 64 THR H H 1 8.239 . . . . . . . 58 T H . 26662 1 241 . 1 1 64 64 THR C C 13 172.456 . . . . . . . 58 T CO . 26662 1 242 . 1 1 64 64 THR CA C 13 59.842 . . . . . . . 58 T CA . 26662 1 243 . 1 1 64 64 THR CB C 13 69.715 . . . . . . . 58 T CB . 26662 1 244 . 1 1 64 64 THR N N 15 117.304 . . . . . . . 58 T N . 26662 1 245 . 1 1 65 65 PRO CA C 13 61.564 . . . . . . . 59 P CA . 26662 1 246 . 1 1 65 65 PRO N N 15 115.796 . . . . . . . 59 P N . 26662 1 247 . 1 1 66 66 PRO C C 13 176.731 . . . . . . . 60 P CO . 26662 1 248 . 1 1 66 66 PRO CA C 13 62.833 . . . . . . . 60 P CA . 26662 1 249 . 1 1 66 66 PRO CB C 13 32.034 . . . . . . . 60 P CB . 26662 1 250 . 1 1 66 66 PRO N N 15 110.492 . . . . . . . 60 P N . 26662 1 251 . 1 1 67 67 LEU H H 1 8.348 . . . . . . . 61 L H . 26662 1 252 . 1 1 67 67 LEU C C 13 177.257 . . . . . . . 61 L CO . 26662 1 253 . 1 1 67 67 LEU CA C 13 55.041 . . . . . . . 61 L CA . 26662 1 254 . 1 1 67 67 LEU CB C 13 42.463 . . . . . . . 61 L CB . 26662 1 255 . 1 1 67 67 LEU N N 15 121.997 . . . . . . . 61 L N . 26662 1 256 . 1 1 68 68 SER H H 1 8.329 . . . . . . . 62 S H . 26662 1 257 . 1 1 68 68 SER C C 13 172.991 . . . . . . . 62 S CO . 26662 1 258 . 1 1 68 68 SER CA C 13 56.244 . . . . . . . 62 S CA . 26662 1 259 . 1 1 68 68 SER CB C 13 63.496 . . . . . . . 62 S CB . 26662 1 260 . 1 1 68 68 SER N N 15 117.915 . . . . . . . 62 S N . 26662 1 261 . 1 1 69 69 PRO C C 13 177.184 . . . . . . . 63 P CO . 26662 1 262 . 1 1 69 69 PRO CA C 13 63.574 . . . . . . . 63 P CA . 26662 1 263 . 1 1 69 69 PRO CB C 13 32.106 . . . . . . . 63 P CB . 26662 1 264 . 1 1 69 69 PRO N N 15 113.222 . . . . . . . 63 P N . 26662 1 265 . 1 1 70 70 SER H H 1 8.334 . . . . . . . 64 S H . 26662 1 266 . 1 1 70 70 SER C C 13 174.728 . . . . . . . 64 S CO . 26662 1 267 . 1 1 70 70 SER CA C 13 58.675 . . . . . . . 64 S CA . 26662 1 268 . 1 1 70 70 SER CB C 13 63.541 . . . . . . . 64 S CB . 26662 1 269 . 1 1 70 70 SER N N 15 115.297 . . . . . . . 64 S N . 26662 1 270 . 1 1 71 71 ARG H H 1 8.296 . . . . . . . 65 R H . 26662 1 271 . 1 1 71 71 ARG C C 13 176.357 . . . . . . . 65 R CO . 26662 1 272 . 1 1 71 71 ARG CA C 13 56.210 . . . . . . . 65 R CA . 26662 1 273 . 1 1 71 71 ARG CB C 13 30.826 . . . . . . . 65 R CB . 26662 1 274 . 1 1 71 71 ARG N N 15 123.015 . . . . . . . 65 R N . 26662 1 275 . 1 1 72 72 ARG H H 1 8.352 . . . . . . . 66 R H . 26662 1 276 . 1 1 72 72 ARG C C 13 176.366 . . . . . . . 66 R CO . 26662 1 277 . 1 1 72 72 ARG CA C 13 56.295 . . . . . . . 66 R CA . 26662 1 278 . 1 1 72 72 ARG CB C 13 30.729 . . . . . . . 66 R CB . 26662 1 279 . 1 1 72 72 ARG N N 15 121.908 . . . . . . . 66 R N . 26662 1 280 . 1 1 73 73 SER H H 1 8.347 . . . . . . . 67 S H . 26662 1 281 . 1 1 73 73 SER C C 13 175.019 . . . . . . . 67 S CO . 26662 1 282 . 1 1 73 73 SER CA C 13 58.582 . . . . . . . 67 S CA . 26662 1 283 . 1 1 73 73 SER CB C 13 63.893 . . . . . . . 67 S CB . 26662 1 284 . 1 1 73 73 SER N N 15 116.831 . . . . . . . 67 S N . 26662 1 285 . 1 1 74 74 GLY H H 1 8.448 . . . . . . . 68 G H . 26662 1 286 . 1 1 74 74 GLY C C 13 174.097 . . . . . . . 68 G CO . 26662 1 287 . 1 1 74 74 GLY CA C 13 45.413 . . . . . . . 68 G CA . 26662 1 288 . 1 1 74 74 GLY N N 15 110.752 . . . . . . . 68 G N . 26662 1 289 . 1 1 75 75 LEU H H 1 8.100 . . . . . . . 69 L H . 26662 1 290 . 1 1 75 75 LEU C C 13 177.372 . . . . . . . 69 L CO . 26662 1 291 . 1 1 75 75 LEU CA C 13 55.232 . . . . . . . 69 L CA . 26662 1 292 . 1 1 75 75 LEU CB C 13 42.478 . . . . . . . 69 L CB . 26662 1 293 . 1 1 75 75 LEU N N 15 121.319 . . . . . . . 69 L N . 26662 1 294 . 1 1 76 76 CYS H H 1 8.354 . . . . . . . 70 C H . 26662 1 295 . 1 1 76 76 CYS C C 13 174.253 . . . . . . . 70 C CO . 26662 1 296 . 1 1 76 76 CYS CA C 13 58.304 . . . . . . . 70 C CA . 26662 1 297 . 1 1 76 76 CYS CB C 13 28.250 . . . . . . . 70 C CB . 26662 1 298 . 1 1 76 76 CYS N N 15 119.580 . . . . . . . 70 C N . 26662 1 299 . 1 1 77 77 SER H H 1 8.373 . . . . . . . 71 S H . 26662 1 300 . 1 1 77 77 SER C C 13 172.707 . . . . . . . 71 S CO . 26662 1 301 . 1 1 77 77 SER CA C 13 56.547 . . . . . . . 71 S CA . 26662 1 302 . 1 1 77 77 SER CB C 13 63.261 . . . . . . . 71 S CB . 26662 1 303 . 1 1 77 77 SER N N 15 119.368 . . . . . . . 71 S N . 26662 1 304 . 1 1 78 78 PRO C C 13 176.786 . . . . . . . 72 P CO . 26662 1 305 . 1 1 78 78 PRO CA C 13 63.461 . . . . . . . 72 P CA . 26662 1 306 . 1 1 78 78 PRO CB C 13 32.181 . . . . . . . 72 P CB . 26662 1 307 . 1 1 79 79 SER H H 1 8.294 . . . . . . . 73 S H . 26662 1 308 . 1 1 79 79 SER C C 13 174.018 . . . . . . . 73 S CO . 26662 1 309 . 1 1 79 79 SER CA C 13 58.372 . . . . . . . 73 S CA . 26662 1 310 . 1 1 79 79 SER CB C 13 63.702 . . . . . . . 73 S CB . 26662 1 311 . 1 1 79 79 SER N N 15 115.305 . . . . . . . 73 S N . 26662 1 312 . 1 1 80 80 TYR H H 1 8.087 . . . . . . . 74 Y H . 26662 1 313 . 1 1 80 80 TYR C C 13 175.214 . . . . . . . 74 Y CO . 26662 1 314 . 1 1 80 80 TYR CA C 13 58.008 . . . . . . . 74 Y CA . 26662 1 315 . 1 1 80 80 TYR CB C 13 38.982 . . . . . . . 74 Y CB . 26662 1 316 . 1 1 80 80 TYR N N 15 122.341 . . . . . . . 74 Y N . 26662 1 317 . 1 1 81 81 VAL H H 1 7.881 . . . . . . . 75 V H . 26662 1 318 . 1 1 81 81 VAL C C 13 174.925 . . . . . . . 75 V CO . 26662 1 319 . 1 1 81 81 VAL CA C 13 61.756 . . . . . . . 75 V CA . 26662 1 320 . 1 1 81 81 VAL CB C 13 33.153 . . . . . . . 75 V CB . 26662 1 321 . 1 1 81 81 VAL N N 15 123.604 . . . . . . . 75 V N . 26662 1 322 . 1 1 82 82 ALA H H 1 8.278 . . . . . . . 76 A H . 26662 1 323 . 1 1 82 82 ALA C C 13 177.462 . . . . . . . 76 A CO . 26662 1 324 . 1 1 82 82 ALA CA C 13 52.260 . . . . . . . 76 A CA . 26662 1 325 . 1 1 82 82 ALA CB C 13 19.326 . . . . . . . 76 A CB . 26662 1 326 . 1 1 82 82 ALA N N 15 128.234 . . . . . . . 76 A N . 26662 1 327 . 1 1 83 83 VAL H H 1 8.147 . . . . . . . 77 V H . 26662 1 328 . 1 1 83 83 VAL C C 13 176.119 . . . . . . . 77 V CO . 26662 1 329 . 1 1 83 83 VAL CA C 13 62.041 . . . . . . . 77 V CA . 26662 1 330 . 1 1 83 83 VAL CB C 13 32.986 . . . . . . . 77 V CB . 26662 1 331 . 1 1 83 83 VAL N N 15 119.991 . . . . . . . 77 V N . 26662 1 332 . 1 1 84 84 THR H H 1 8.311 . . . . . . . 78 T H . 26662 1 333 . 1 1 84 84 THR C C 13 172.908 . . . . . . . 78 T CO . 26662 1 334 . 1 1 84 84 THR CA C 13 59.645 . . . . . . . 78 T CA . 26662 1 335 . 1 1 84 84 THR CB C 13 69.656 . . . . . . . 78 T CB . 26662 1 336 . 1 1 84 84 THR N N 15 120.641 . . . . . . . 78 T N . 26662 1 337 . 1 1 85 85 PRO C C 13 176.720 . . . . . . . 79 P CO . 26662 1 338 . 1 1 85 85 PRO CA C 13 63.320 . . . . . . . 79 P CA . 26662 1 339 . 1 1 85 85 PRO CB C 13 32.079 . . . . . . . 79 P CB . 26662 1 340 . 1 1 86 86 PHE H H 1 8.210 . . . . . . . 80 F H . 26662 1 341 . 1 1 86 86 PHE C C 13 175.884 . . . . . . . 80 F CO . 26662 1 342 . 1 1 86 86 PHE CA C 13 58.188 . . . . . . . 80 F CA . 26662 1 343 . 1 1 86 86 PHE CB C 13 39.397 . . . . . . . 80 F CB . 26662 1 344 . 1 1 86 86 PHE N N 15 119.956 . . . . . . . 80 F N . 26662 1 345 . 1 1 87 87 SER H H 1 8.105 . . . . . . . 81 S H . 26662 1 346 . 1 1 87 87 SER C C 13 174.185 . . . . . . . 81 S CO . 26662 1 347 . 1 1 87 87 SER CA C 13 58.266 . . . . . . . 81 S CA . 26662 1 348 . 1 1 87 87 SER CB C 13 63.917 . . . . . . . 81 S CB . 26662 1 349 . 1 1 87 87 SER N N 15 117.030 . . . . . . . 81 S N . 26662 1 350 . 1 1 88 88 LEU H H 1 8.244 . . . . . . . 82 L H . 26662 1 351 . 1 1 88 88 LEU C C 13 177.320 . . . . . . . 82 L CO . 26662 1 352 . 1 1 88 88 LEU CA C 13 55.216 . . . . . . . 82 L CA . 26662 1 353 . 1 1 88 88 LEU CB C 13 42.287 . . . . . . . 82 L CB . 26662 1 354 . 1 1 88 88 LEU N N 15 124.222 . . . . . . . 82 L N . 26662 1 355 . 1 1 89 89 ARG H H 1 8.254 . . . . . . . 83 R H . 26662 1 356 . 1 1 89 89 ARG C C 13 176.753 . . . . . . . 83 R CO . 26662 1 357 . 1 1 89 89 ARG CA C 13 56.319 . . . . . . . 83 R CA . 26662 1 358 . 1 1 89 89 ARG CB C 13 30.944 . . . . . . . 83 R CB . 26662 1 359 . 1 1 89 89 ARG N N 15 121.353 . . . . . . . 83 R N . 26662 1 360 . 1 1 90 90 GLY H H 1 8.468 . . . . . . . 84 G H . 26662 1 361 . 1 1 90 90 GLY C C 13 173.994 . . . . . . . 84 G CO . 26662 1 362 . 1 1 90 90 GLY CA C 13 45.217 . . . . . . . 84 G CA . 26662 1 363 . 1 1 90 90 GLY N N 15 110.264 . . . . . . . 84 G N . 26662 1 364 . 1 1 91 91 ASP H H 1 8.325 . . . . . . . 85 D H . 26662 1 365 . 1 1 91 91 ASP C C 13 176.203 . . . . . . . 85 D CO . 26662 1 366 . 1 1 91 91 ASP CA C 13 54.536 . . . . . . . 85 D CA . 26662 1 367 . 1 1 91 91 ASP CB C 13 41.172 . . . . . . . 85 D CB . 26662 1 368 . 1 1 91 91 ASP N N 15 120.271 . . . . . . . 85 D N . 26662 1 369 . 1 1 92 92 ASN H H 1 8.461 . . . . . . . 86 N H . 26662 1 370 . 1 1 92 92 ASN C C 13 174.859 . . . . . . . 86 N CO . 26662 1 371 . 1 1 92 92 ASN CA C 13 53.338 . . . . . . . 86 N CA . 26662 1 372 . 1 1 92 92 ASN CB C 13 39.138 . . . . . . . 86 N CB . 26662 1 373 . 1 1 92 92 ASN N N 15 118.161 . . . . . . . 86 N N . 26662 1 374 . 1 1 93 93 ASP H H 1 8.290 . . . . . . . 87 D H . 26662 1 375 . 1 1 93 93 ASP C C 13 175.609 . . . . . . . 87 D CO . 26662 1 376 . 1 1 93 93 ASP CA C 13 54.558 . . . . . . . 87 D CA . 26662 1 377 . 1 1 93 93 ASP CB C 13 41.348 . . . . . . . 87 D CB . 26662 1 378 . 1 1 93 93 ASP N N 15 120.839 . . . . . . . 87 D N . 26662 1 379 . 1 1 94 94 GLY H H 1 7.980 . . . . . . . 88 G H . 26662 1 380 . 1 1 94 94 GLY C C 13 179.087 . . . . . . . 88 G CO . 26662 1 381 . 1 1 94 94 GLY CA C 13 46.264 . . . . . . . 88 G CA . 26662 1 382 . 1 1 94 94 GLY N N 15 115.079 . . . . . . . 88 G N . 26662 1 stop_ save_