data_11593 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11593 _Entry.Title ; Effects of linker length and transient secondary structure elements in the intrinsically disordered RAM region of NICD on Notch signaling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-21 _Entry.Accession_date 2015-05-21 _Entry.Last_release_date 2016-07-01 _Entry.Original_release_date 2016-07-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kathryn Sherry . P. . . 11593 2 Scott Johnson . E. . . 11593 3 Christine Hatem . . . . 11593 4 Ananya Majumdar . . . . 11593 5 Doug Barrick . . . . 11593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 11593 '15N chemical shifts' 97 11593 '1H chemical shifts' 97 11593 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 . . 2016-07-01 . original BMRB . 11593 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11593 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26344835 _Citation.Full_citation . _Citation.Title ; Effects of Linker Length and Transient Secondary Structure Elements in the Intrinsically Disordered Notch RAM Region on Notch Signaling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 427 _Citation.Journal_issue 22 _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 3587 _Citation.Page_last 3597 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kathryn Sherry . P. . . 11593 1 2 Scott Johnson . E. . . 11593 1 3 Christine Hatem . . . . 11593 1 4 Ananya Majumdar . . . . 11593 1 5 Doug Barrick . . . . 11593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11593 _Assembly.ID 1 _Assembly.Name RAM _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 . _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 RAM 1 $RAM A . yes native no no . . . 11593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RAM _Entity.Sf_category entity _Entity.Sf_framecode RAM _Entity.Entry_ID 11593 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RAM _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 ; MMARKRRRQHGQLWFPEGFK VSEASKKKRREPLGEDSVGL KPLKNASDGALMDDNQNEWG DEDLETKKFRFEEPVVLPDL DDQTDHRQWTQQHLDAADLR MSAMAPTPPQGEVDADCMDV NVRGPDGFTPLLE ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 11593 1 2 2 MET . 11593 1 3 3 ALA . 11593 1 4 4 ARG . 11593 1 5 5 LYS . 11593 1 6 6 ARG . 11593 1 7 7 ARG . 11593 1 8 8 ARG . 11593 1 9 9 GLN . 11593 1 10 10 HIS . 11593 1 11 11 GLY . 11593 1 12 12 GLN . 11593 1 13 13 LEU . 11593 1 14 14 TRP . 11593 1 15 15 PHE . 11593 1 16 16 PRO . 11593 1 17 17 GLU . 11593 1 18 18 GLY . 11593 1 19 19 PHE . 11593 1 20 20 LYS . 11593 1 21 21 VAL . 11593 1 22 22 SER . 11593 1 23 23 GLU . 11593 1 24 24 ALA . 11593 1 25 25 SER . 11593 1 26 26 LYS . 11593 1 27 27 LYS . 11593 1 28 28 LYS . 11593 1 29 29 ARG . 11593 1 30 30 ARG . 11593 1 31 31 GLU . 11593 1 32 32 PRO . 11593 1 33 33 LEU . 11593 1 34 34 GLY . 11593 1 35 35 GLU . 11593 1 36 36 ASP . 11593 1 37 37 SER . 11593 1 38 38 VAL . 11593 1 39 39 GLY . 11593 1 40 40 LEU . 11593 1 41 41 LYS . 11593 1 42 42 PRO . 11593 1 43 43 LEU . 11593 1 44 44 LYS . 11593 1 45 45 ASN . 11593 1 46 46 ALA . 11593 1 47 47 SER . 11593 1 48 48 ASP . 11593 1 49 49 GLY . 11593 1 50 50 ALA . 11593 1 51 51 LEU . 11593 1 52 52 MET . 11593 1 53 53 ASP . 11593 1 54 54 ASP . 11593 1 55 55 ASN . 11593 1 56 56 GLN . 11593 1 57 57 ASN . 11593 1 58 58 GLU . 11593 1 59 59 TRP . 11593 1 60 60 GLY . 11593 1 61 61 ASP . 11593 1 62 62 GLU . 11593 1 63 63 ASP . 11593 1 64 64 LEU . 11593 1 65 65 GLU . 11593 1 66 66 THR . 11593 1 67 67 LYS . 11593 1 68 68 LYS . 11593 1 69 69 PHE . 11593 1 70 70 ARG . 11593 1 71 71 PHE . 11593 1 72 72 GLU . 11593 1 73 73 GLU . 11593 1 74 74 PRO . 11593 1 75 75 VAL . 11593 1 76 76 VAL . 11593 1 77 77 LEU . 11593 1 78 78 PRO . 11593 1 79 79 ASP . 11593 1 80 80 LEU . 11593 1 81 81 ASP . 11593 1 82 82 ASP . 11593 1 83 83 GLN . 11593 1 84 84 THR . 11593 1 85 85 ASP . 11593 1 86 86 HIS . 11593 1 87 87 ARG . 11593 1 88 88 GLN . 11593 1 89 89 TRP . 11593 1 90 90 THR . 11593 1 91 91 GLN . 11593 1 92 92 GLN . 11593 1 93 93 HIS . 11593 1 94 94 LEU . 11593 1 95 95 ASP . 11593 1 96 96 ALA . 11593 1 97 97 ALA . 11593 1 98 98 ASP . 11593 1 99 99 LEU . 11593 1 100 100 ARG . 11593 1 101 101 MET . 11593 1 102 102 SER . 11593 1 103 103 ALA . 11593 1 104 104 MET . 11593 1 105 105 ALA . 11593 1 106 106 PRO . 11593 1 107 107 THR . 11593 1 108 108 PRO . 11593 1 109 109 PRO . 11593 1 110 110 GLN . 11593 1 111 111 GLY . 11593 1 112 112 GLU . 11593 1 113 113 VAL . 11593 1 114 114 ASP . 11593 1 115 115 ALA . 11593 1 116 116 ASP . 11593 1 117 117 CYS . 11593 1 118 118 MET . 11593 1 119 119 ASP . 11593 1 120 120 VAL . 11593 1 121 121 ASN . 11593 1 122 122 VAL . 11593 1 123 123 ARG . 11593 1 124 124 GLY . 11593 1 125 125 PRO . 11593 1 126 126 ASP . 11593 1 127 127 GLY . 11593 1 128 128 PHE . 11593 1 129 129 THR . 11593 1 130 130 PRO . 11593 1 131 131 LEU . 11593 1 132 132 LEU . 11593 1 133 133 GLU . 11593 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 11593 1 . MET 2 2 11593 1 . ALA 3 3 11593 1 . ARG 4 4 11593 1 . LYS 5 5 11593 1 . ARG 6 6 11593 1 . ARG 7 7 11593 1 . ARG 8 8 11593 1 . GLN 9 9 11593 1 . HIS 10 10 11593 1 . GLY 11 11 11593 1 . GLN 12 12 11593 1 . LEU 13 13 11593 1 . TRP 14 14 11593 1 . PHE 15 15 11593 1 . PRO 16 16 11593 1 . GLU 17 17 11593 1 . GLY 18 18 11593 1 . PHE 19 19 11593 1 . LYS 20 20 11593 1 . VAL 21 21 11593 1 . SER 22 22 11593 1 . GLU 23 23 11593 1 . ALA 24 24 11593 1 . SER 25 25 11593 1 . LYS 26 26 11593 1 . LYS 27 27 11593 1 . LYS 28 28 11593 1 . ARG 29 29 11593 1 . ARG 30 30 11593 1 . GLU 31 31 11593 1 . PRO 32 32 11593 1 . LEU 33 33 11593 1 . GLY 34 34 11593 1 . GLU 35 35 11593 1 . ASP 36 36 11593 1 . SER 37 37 11593 1 . VAL 38 38 11593 1 . GLY 39 39 11593 1 . LEU 40 40 11593 1 . LYS 41 41 11593 1 . PRO 42 42 11593 1 . LEU 43 43 11593 1 . LYS 44 44 11593 1 . ASN 45 45 11593 1 . ALA 46 46 11593 1 . SER 47 47 11593 1 . ASP 48 48 11593 1 . GLY 49 49 11593 1 . ALA 50 50 11593 1 . LEU 51 51 11593 1 . MET 52 52 11593 1 . ASP 53 53 11593 1 . ASP 54 54 11593 1 . ASN 55 55 11593 1 . GLN 56 56 11593 1 . ASN 57 57 11593 1 . GLU 58 58 11593 1 . TRP 59 59 11593 1 . GLY 60 60 11593 1 . ASP 61 61 11593 1 . GLU 62 62 11593 1 . ASP 63 63 11593 1 . LEU 64 64 11593 1 . GLU 65 65 11593 1 . THR 66 66 11593 1 . LYS 67 67 11593 1 . LYS 68 68 11593 1 . PHE 69 69 11593 1 . ARG 70 70 11593 1 . PHE 71 71 11593 1 . GLU 72 72 11593 1 . GLU 73 73 11593 1 . PRO 74 74 11593 1 . VAL 75 75 11593 1 . VAL 76 76 11593 1 . LEU 77 77 11593 1 . PRO 78 78 11593 1 . ASP 79 79 11593 1 . LEU 80 80 11593 1 . ASP 81 81 11593 1 . ASP 82 82 11593 1 . GLN 83 83 11593 1 . THR 84 84 11593 1 . ASP 85 85 11593 1 . HIS 86 86 11593 1 . ARG 87 87 11593 1 . GLN 88 88 11593 1 . TRP 89 89 11593 1 . THR 90 90 11593 1 . GLN 91 91 11593 1 . GLN 92 92 11593 1 . HIS 93 93 11593 1 . LEU 94 94 11593 1 . ASP 95 95 11593 1 . ALA 96 96 11593 1 . ALA 97 97 11593 1 . ASP 98 98 11593 1 . LEU 99 99 11593 1 . ARG 100 100 11593 1 . MET 101 101 11593 1 . SER 102 102 11593 1 . ALA 103 103 11593 1 . MET 104 104 11593 1 . ALA 105 105 11593 1 . PRO 106 106 11593 1 . THR 107 107 11593 1 . PRO 108 108 11593 1 . PRO 109 109 11593 1 . GLN 110 110 11593 1 . GLY 111 111 11593 1 . GLU 112 112 11593 1 . VAL 113 113 11593 1 . ASP 114 114 11593 1 . ALA 115 115 11593 1 . ASP 116 116 11593 1 . CYS 117 117 11593 1 . MET 118 118 11593 1 . ASP 119 119 11593 1 . VAL 120 120 11593 1 . ASN 121 121 11593 1 . VAL 122 122 11593 1 . ARG 123 123 11593 1 . GLY 124 124 11593 1 . PRO 125 125 11593 1 . ASP 126 126 11593 1 . GLY 127 127 11593 1 . PHE 128 128 11593 1 . THR 129 129 11593 1 . PRO 130 130 11593 1 . LEU 131 131 11593 1 . LEU 132 132 11593 1 . GLU 133 133 11593 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 11593 _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 $RAM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . Notch1 'residues 1758-1890' 11593 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 11593 _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 $RAM . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET24b . . . 11593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11593 _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 RAM '[U-100% 13C; U-100% 15N]' . . 1 $RAM . protein 2 . . mM . . . . 11593 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 25 . . mM . . . . 11593 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11593 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 11593 1 5 TCEP 'natural abundance' . . . . . . 0.1 . . mM . . . . 11593 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11593 1 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 11593 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 11593 _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' 75 . mM 11593 1 pH 6.5 . pH 11593 1 pressure 1 . atm 11593 1 temperature 293 . K 11593 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 11593 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 11593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11593 1 'peak picking' 11593 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11593 _Software.ID 2 _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' . . 11593 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11593 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11593 _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 . 800 . . . 11593 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 11593 _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 . . . . . . . . . . . . . . . . 11593 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11593 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11593 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11593 1 5 '3D HN(CA)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11593 1 6 '3D HN(COCA)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11593 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11593 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 11593 _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 . . . . . 11593 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11593 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11593 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 11593 _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' 1 $sample_1 isotropic 11593 1 2 '3D HNCACB' 1 $sample_1 isotropic 11593 1 3 '3D HNCO' 1 $sample_1 isotropic 11593 1 4 '3D HN(CA)CO' 1 $sample_1 isotropic 11593 1 5 '3D HN(CA)N' 1 $sample_1 isotropic 11593 1 6 '3D HN(COCA)N' 1 $sample_1 isotropic 11593 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11593 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 11 11 GLY H H 1 8.425 . . 1 . . . . 11 GLY H . 11593 1 2 . 1 1 11 11 GLY C C 13 178.538 . . 1 . . . . 11 GLY C . 11593 1 3 . 1 1 11 11 GLY CA C 13 44.692 . . 1 . . . . 11 GLY CA . 11593 1 4 . 1 1 11 11 GLY N N 15 110.294 . . 1 . . . . 11 GLY N . 11593 1 5 . 1 1 12 12 GLN H H 1 8.236 . . 1 . . . . 12 GLN H . 11593 1 6 . 1 1 12 12 GLN C C 13 176.752 . . 1 . . . . 12 GLN C . 11593 1 7 . 1 1 12 12 GLN CA C 13 56.067 . . 1 . . . . 12 GLN CA . 11593 1 8 . 1 1 12 12 GLN CB C 13 28.723 . . 1 . . . . 12 GLN CB . 11593 1 9 . 1 1 12 12 GLN N N 15 120.125 . . 1 . . . . 12 GLN N . 11593 1 10 . 1 1 13 13 LEU H H 1 8.319 . . 1 . . . . 13 LEU H . 11593 1 11 . 1 1 13 13 LEU C C 13 176.235 . . 1 . . . . 13 LEU C . 11593 1 12 . 1 1 13 13 LEU CA C 13 55.083 . . 1 . . . . 13 LEU CA . 11593 1 13 . 1 1 13 13 LEU CB C 13 42.395 . . 1 . . . . 13 LEU CB . 11593 1 14 . 1 1 13 13 LEU N N 15 122.672 . . 1 . . . . 13 LEU N . 11593 1 15 . 1 1 17 17 GLU H H 1 8.115 . . 1 . . . . 17 GLU H . 11593 1 16 . 1 1 17 17 GLU C C 13 175.763 . . 1 . . . . 17 GLU C . 11593 1 17 . 1 1 17 17 GLU CA C 13 56.505 . . 1 . . . . 17 GLU CA . 11593 1 18 . 1 1 17 17 GLU CB C 13 29.27 . . 1 . . . . 17 GLU CB . 11593 1 19 . 1 1 17 17 GLU N N 15 121.155 . . 1 . . . . 17 GLU N . 11593 1 20 . 1 1 18 18 GLY H H 1 8.298 . . 1 . . . . 18 GLY H . 11593 1 21 . 1 1 18 18 GLY C C 13 178.645 . . 1 . . . . 18 GLY C . 11593 1 22 . 1 1 18 18 GLY CA C 13 45.02 . . 1 . . . . 18 GLY CA . 11593 1 23 . 1 1 18 18 GLY N N 15 110.182 . . 1 . . . . 18 GLY N . 11593 1 24 . 1 1 19 19 PHE H H 1 7.973 . . 1 . . . . 19 PHE H . 11593 1 25 . 1 1 19 19 PHE C C 13 177.086 . . 1 . . . . 19 PHE C . 11593 1 26 . 1 1 19 19 PHE CA C 13 57.708 . . 1 . . . . 19 PHE CA . 11593 1 27 . 1 1 19 19 PHE CB C 13 39.332 . . 1 . . . . 19 PHE CB . 11593 1 28 . 1 1 19 19 PHE N N 15 120.244 . . 1 . . . . 19 PHE N . 11593 1 29 . 1 1 20 20 LYS H H 1 8.099 . . 1 . . . . 20 LYS H . 11593 1 30 . 1 1 20 20 LYS C C 13 176.379 . . 1 . . . . 20 LYS C . 11593 1 31 . 1 1 20 20 LYS CA C 13 55.52 . . 1 . . . . 20 LYS CA . 11593 1 32 . 1 1 20 20 LYS CB C 13 33.134 . . 1 . . . . 20 LYS CB . 11593 1 33 . 1 1 20 20 LYS N N 15 123.598 . . 1 . . . . 20 LYS N . 11593 1 34 . 1 1 21 21 VAL H H 1 8.096 . . 1 . . . . 21 VAL H . 11593 1 35 . 1 1 21 21 VAL C C 13 176.166 . . 1 . . . . 21 VAL C . 11593 1 36 . 1 1 21 21 VAL CA C 13 62.083 . . 1 . . . . 21 VAL CA . 11593 1 37 . 1 1 21 21 VAL CB C 13 32.223 . . 1 . . . . 21 VAL CB . 11593 1 38 . 1 1 21 21 VAL N N 15 121.844 . . 1 . . . . 21 VAL N . 11593 1 39 . 1 1 23 23 GLU H H 1 8.501 . . 1 . . . . 23 GLU H . 11593 1 40 . 1 1 23 23 GLU C C 13 175.459 . . 1 . . . . 23 GLU C . 11593 1 41 . 1 1 23 23 GLU CA C 13 57.096 . . 1 . . . . 23 GLU CA . 11593 1 42 . 1 1 23 23 GLU CB C 13 29.598 . . 1 . . . . 23 GLU CB . 11593 1 43 . 1 1 23 23 GLU N N 15 123.288 . . 1 . . . . 23 GLU N . 11593 1 44 . 1 1 24 24 ALA H H 1 8.27 . . 1 . . . . 24 ALA H . 11593 1 45 . 1 1 24 24 ALA C C 13 173.977 . . 1 . . . . 24 ALA C . 11593 1 46 . 1 1 24 24 ALA CA C 13 52.458 . . 1 . . . . 24 ALA CA . 11593 1 47 . 1 1 24 24 ALA CB C 13 18.851 . . 1 . . . . 24 ALA CB . 11593 1 48 . 1 1 24 24 ALA N N 15 123.723 . . 1 . . . . 24 ALA N . 11593 1 49 . 1 1 25 25 SER H H 1 8.071 . . 1 . . . . 25 SER H . 11593 1 50 . 1 1 25 25 SER C C 13 177.453 . . 1 . . . . 25 SER C . 11593 1 51 . 1 1 25 25 SER CA C 13 58.364 . . 1 . . . . 25 SER CA . 11593 1 52 . 1 1 25 25 SER CB C 13 63.177 . . 1 . . . . 25 SER CB . 11593 1 53 . 1 1 25 25 SER N N 15 122.819 . . 1 . . . . 25 SER N . 11593 1 54 . 1 1 26 26 LYS H H 1 8.071 . . 1 . . . . 26 LYS H . 11593 1 55 . 1 1 26 26 LYS C C 13 175.649 . . 1 . . . . 26 LYS C . 11593 1 56 . 1 1 26 26 LYS CA C 13 56.286 . . 1 . . . . 26 LYS CA . 11593 1 57 . 1 1 26 26 LYS CB C 13 32.223 . . 1 . . . . 26 LYS CB . 11593 1 58 . 1 1 26 26 LYS N N 15 122.819 . . 1 . . . . 26 LYS N . 11593 1 59 . 1 1 33 33 LEU H H 1 8.396 . . 1 . . . . 33 LEU H . 11593 1 60 . 1 1 33 33 LEU C C 13 174.509 . . 1 . . . . 33 LEU C . 11593 1 61 . 1 1 33 33 LEU CA C 13 54.645 . . 1 . . . . 33 LEU CA . 11593 1 62 . 1 1 33 33 LEU CB C 13 42.067 . . 1 . . . . 33 LEU CB . 11593 1 63 . 1 1 33 33 LEU N N 15 122.282 . . 1 . . . . 33 LEU N . 11593 1 64 . 1 1 34 34 GLY H H 1 8.405 . . 1 . . . . 34 GLY H . 11593 1 65 . 1 1 34 34 GLY C C 13 178.105 . . 1 . . . . 34 GLY C . 11593 1 66 . 1 1 34 34 GLY CA C 13 45.129 . . 1 . . . . 34 GLY CA . 11593 1 67 . 1 1 34 34 GLY N N 15 109.713 . . 1 . . . . 34 GLY N . 11593 1 68 . 1 1 35 35 GLU H H 1 8.414 . . 1 . . . . 35 GLU H . 11593 1 69 . 1 1 35 35 GLU C C 13 176.03 . . 1 . . . . 35 GLU C . 11593 1 70 . 1 1 35 35 GLU CA C 13 56.286 . . 1 . . . . 35 GLU CA . 11593 1 71 . 1 1 35 35 GLU CB C 13 29.817 . . 1 . . . . 35 GLU CB . 11593 1 72 . 1 1 35 35 GLU N N 15 120.737 . . 1 . . . . 35 GLU N . 11593 1 73 . 1 1 36 36 ASP H H 1 8.467 . . 1 . . . . 36 ASP H . 11593 1 74 . 1 1 36 36 ASP C C 13 176.085 . . 1 . . . . 36 ASP C . 11593 1 75 . 1 1 36 36 ASP CA C 13 53.88 . . 1 . . . . 36 ASP CA . 11593 1 76 . 1 1 36 36 ASP CB C 13 40.645 . . 1 . . . . 36 ASP CB . 11593 1 77 . 1 1 36 36 ASP N N 15 120.741 . . 1 . . . . 36 ASP N . 11593 1 78 . 1 1 37 37 SER H H 1 8.209 . . 1 . . . . 37 SER H . 11593 1 79 . 1 1 37 37 SER C C 13 177.687 . . 1 . . . . 37 SER C . 11593 1 80 . 1 1 37 37 SER CA C 13 58.583 . . 1 . . . . 37 SER CA . 11593 1 81 . 1 1 37 37 SER CB C 13 63.396 . . 1 . . . . 37 SER CB . 11593 1 82 . 1 1 37 37 SER N N 15 115.996 . . 1 . . . . 37 SER N . 11593 1 83 . 1 1 38 38 VAL H H 1 8.071 . . 1 . . . . 38 VAL H . 11593 1 84 . 1 1 38 38 VAL C C 13 175.847 . . 1 . . . . 38 VAL C . 11593 1 85 . 1 1 38 38 VAL CA C 13 62.781 . . 1 . . . . 38 VAL CA . 11593 1 86 . 1 1 38 38 VAL CB C 13 32.004 . . 1 . . . . 38 VAL CB . 11593 1 87 . 1 1 38 38 VAL N N 15 121.362 . . 1 . . . . 38 VAL N . 11593 1 88 . 1 1 39 39 GLY H H 1 8.41 . . 1 . . . . 39 GLY H . 11593 1 89 . 1 1 39 39 GLY C C 13 178.553 . . 1 . . . . 39 GLY C . 11593 1 90 . 1 1 39 39 GLY CA C 13 44.801 . . 1 . . . . 39 GLY CA . 11593 1 91 . 1 1 39 39 GLY N N 15 111.659 . . 1 . . . . 39 GLY N . 11593 1 92 . 1 1 40 40 LEU H H 1 8.042 . . 1 . . . . 40 LEU H . 11593 1 93 . 1 1 40 40 LEU C C 13 175.3 . . 1 . . . . 40 LEU C . 11593 1 94 . 1 1 40 40 LEU CA C 13 54.973 . . 1 . . . . 40 LEU CA . 11593 1 95 . 1 1 40 40 LEU CB C 13 42.067 . . 1 . . . . 40 LEU CB . 11593 1 96 . 1 1 40 40 LEU N N 15 121.562 . . 1 . . . . 40 LEU N . 11593 1 97 . 1 1 41 41 LYS H H 1 8.289 . . 1 . . . . 41 LYS H . 11593 1 98 . 1 1 41 41 LYS C C 13 178.128 . . 1 . . . . 41 LYS C . 11593 1 99 . 1 1 41 41 LYS CA C 13 54.032 . . 1 . . . . 41 LYS CA . 11593 1 100 . 1 1 41 41 LYS CB C 13 32.114 . . 1 . . . . 41 LYS CB . 11593 1 101 . 1 1 41 41 LYS N N 15 123.575 . . 1 . . . . 41 LYS N . 11593 1 102 . 1 1 43 43 LEU H H 1 8.342 . . 1 . . . . 43 LEU H . 11593 1 103 . 1 1 43 43 LEU C C 13 175.011 . . 1 . . . . 43 LEU C . 11593 1 104 . 1 1 43 43 LEU CA C 13 54.645 . . 1 . . . . 43 LEU CA . 11593 1 105 . 1 1 43 43 LEU CB C 13 41.848 . . 1 . . . . 43 LEU CB . 11593 1 106 . 1 1 43 43 LEU N N 15 122.792 . . 1 . . . . 43 LEU N . 11593 1 107 . 1 1 44 44 LYS H H 1 8.314 . . 1 . . . . 44 LYS H . 11593 1 108 . 1 1 44 44 LYS C C 13 176.326 . . 1 . . . . 44 LYS C . 11593 1 109 . 1 1 44 44 LYS CA C 13 55.411 . . 1 . . . . 44 LYS CA . 11593 1 110 . 1 1 44 44 LYS CB C 13 32.77 . . 1 . . . . 44 LYS CB . 11593 1 111 . 1 1 44 44 LYS N N 15 122.251 . . 1 . . . . 44 LYS N . 11593 1 112 . 1 1 45 45 ASN H H 1 8.519 . . 1 . . . . 45 ASN H . 11593 1 113 . 1 1 45 45 ASN C C 13 177.352 . . 1 . . . . 45 ASN C . 11593 1 114 . 1 1 45 45 ASN CA C 13 52.567 . . 1 . . . . 45 ASN CA . 11593 1 115 . 1 1 45 45 ASN CB C 13 38.676 . . 1 . . . . 45 ASN CB . 11593 1 116 . 1 1 45 45 ASN N N 15 120.224 . . 1 . . . . 45 ASN N . 11593 1 117 . 1 1 46 46 ALA H H 1 8.425 . . 1 . . . . 46 ALA H . 11593 1 118 . 1 1 46 46 ALA C C 13 174.418 . . 1 . . . . 46 ALA C . 11593 1 119 . 1 1 46 46 ALA CA C 13 52.567 . . 1 . . . . 46 ALA CA . 11593 1 120 . 1 1 46 46 ALA CB C 13 18.988 . . 1 . . . . 46 ALA CB . 11593 1 121 . 1 1 46 46 ALA N N 15 124.949 . . 1 . . . . 46 ALA N . 11593 1 122 . 1 1 47 47 SER H H 1 8.357 . . 1 . . . . 47 SER H . 11593 1 123 . 1 1 47 47 SER C C 13 177.884 . . 1 . . . . 47 SER C . 11593 1 124 . 1 1 47 47 SER CA C 13 58.036 . . 1 . . . . 47 SER CA . 11593 1 125 . 1 1 47 47 SER CB C 13 63.286 . . 1 . . . . 47 SER CB . 11593 1 126 . 1 1 47 47 SER N N 15 114.566 . . 1 . . . . 47 SER N . 11593 1 127 . 1 1 48 48 ASP H H 1 8.228 . . 1 . . . . 48 ASP H . 11593 1 128 . 1 1 48 48 ASP C C 13 175.582 . . 1 . . . . 48 ASP C . 11593 1 129 . 1 1 48 48 ASP CA C 13 54.098 . . 1 . . . . 48 ASP CA . 11593 1 130 . 1 1 48 48 ASP CB C 13 40.754 . . 1 . . . . 48 ASP CB . 11593 1 131 . 1 1 48 48 ASP N N 15 122.088 . . 1 . . . . 48 ASP N . 11593 1 132 . 1 1 49 49 GLY H H 1 8.301 . . 1 . . . . 49 GLY H . 11593 1 133 . 1 1 49 49 GLY C C 13 178.433 . . 1 . . . . 49 GLY C . 11593 1 134 . 1 1 49 49 GLY CA C 13 45.239 . . 1 . . . . 49 GLY CA . 11593 1 135 . 1 1 49 49 GLY N N 15 109.299 . . 1 . . . . 49 GLY N . 11593 1 136 . 1 1 50 50 ALA H H 1 8.052 . . 1 . . . . 50 ALA H . 11593 1 137 . 1 1 50 50 ALA C C 13 174.76 . . 1 . . . . 50 ALA C . 11593 1 138 . 1 1 50 50 ALA CA C 13 52.13 . . 1 . . . . 50 ALA CA . 11593 1 139 . 1 1 50 50 ALA CB C 13 18.879 . . 1 . . . . 50 ALA CB . 11593 1 140 . 1 1 50 50 ALA N N 15 123.527 . . 1 . . . . 50 ALA N . 11593 1 141 . 1 1 51 51 LEU H H 1 8.2 . . 1 . . . . 51 LEU H . 11593 1 142 . 1 1 51 51 LEU C C 13 175.056 . . 1 . . . . 51 LEU C . 11593 1 143 . 1 1 51 51 LEU CA C 13 54.755 . . 1 . . . . 51 LEU CA . 11593 1 144 . 1 1 51 51 LEU CB C 13 41.848 . . 1 . . . . 51 LEU CB . 11593 1 145 . 1 1 51 51 LEU N N 15 120.969 . . 1 . . . . 51 LEU N . 11593 1 146 . 1 1 52 52 MET H H 1 8.303 . . 1 . . . . 52 MET H . 11593 1 147 . 1 1 52 52 MET C C 13 176.615 . . 1 . . . . 52 MET C . 11593 1 148 . 1 1 52 52 MET CA C 13 54.755 . . 1 . . . . 52 MET CA . 11593 1 149 . 1 1 52 52 MET CB C 13 32.551 . . 1 . . . . 52 MET CB . 11593 1 150 . 1 1 52 52 MET N N 15 120.99 . . 1 . . . . 52 MET N . 11593 1 151 . 1 1 53 53 ASP H H 1 8.29 . . 1 . . . . 53 ASP H . 11593 1 152 . 1 1 53 53 ASP C C 13 176.493 . . 1 . . . . 53 ASP C . 11593 1 153 . 1 1 53 53 ASP CA C 13 54.234 . . 1 . . . . 53 ASP CA . 11593 1 154 . 1 1 53 53 ASP CB C 13 41.192 . . 1 . . . . 53 ASP CB . 11593 1 155 . 1 1 53 53 ASP N N 15 121.532 . . 1 . . . . 53 ASP N . 11593 1 156 . 1 1 54 54 ASP H H 1 8.338 . . 1 . . . . 54 ASP H . 11593 1 157 . 1 1 54 54 ASP C C 13 176.258 . . 1 . . . . 54 ASP C . 11593 1 158 . 1 1 54 54 ASP CA C 13 54.317 . . 1 . . . . 54 ASP CA . 11593 1 159 . 1 1 54 54 ASP CB C 13 40.645 . . 1 . . . . 54 ASP CB . 11593 1 160 . 1 1 54 54 ASP N N 15 121.01 . . 1 . . . . 54 ASP N . 11593 1 161 . 1 1 55 55 ASN H H 1 8.407 . . 1 . . . . 55 ASN H . 11593 1 162 . 1 1 55 55 ASN C C 13 177.101 . . 1 . . . . 55 ASN C . 11593 1 163 . 1 1 55 55 ASN CA C 13 52.895 . . 1 . . . . 55 ASN CA . 11593 1 164 . 1 1 55 55 ASN CB C 13 38.457 . . 1 . . . . 55 ASN CB . 11593 1 165 . 1 1 55 55 ASN N N 15 118.784 . . 1 . . . . 55 ASN N . 11593 1 166 . 1 1 56 56 GLN H H 1 8.299 . . 1 . . . . 56 GLN H . 11593 1 167 . 1 1 56 56 GLN C C 13 176.699 . . 1 . . . . 56 GLN C . 11593 1 168 . 1 1 56 56 GLN CA C 13 55.739 . . 1 . . . . 56 GLN CA . 11593 1 169 . 1 1 56 56 GLN CB C 13 28.613 . . 1 . . . . 56 GLN CB . 11593 1 170 . 1 1 56 56 GLN N N 15 119.962 . . 1 . . . . 56 GLN N . 11593 1 171 . 1 1 57 57 ASN H H 1 8.359 . . 1 . . . . 57 ASN H . 11593 1 172 . 1 1 57 57 ASN C C 13 177.284 . . 1 . . . . 57 ASN C . 11593 1 173 . 1 1 57 57 ASN CA C 13 52.895 . . 1 . . . . 57 ASN CA . 11593 1 174 . 1 1 57 57 ASN CB C 13 38.786 . . 1 . . . . 57 ASN CB . 11593 1 175 . 1 1 57 57 ASN N N 15 119.134 . . 1 . . . . 57 ASN N . 11593 1 176 . 1 1 60 60 GLY H H 1 8.39 . . 1 . . . . 60 GLY H . 11593 1 177 . 1 1 60 60 GLY C C 13 178.622 . . 1 . . . . 60 GLY C . 11593 1 178 . 1 1 60 60 GLY CA C 13 44.692 . . 1 . . . . 60 GLY CA . 11593 1 179 . 1 1 60 60 GLY N N 15 110.101 . . 1 . . . . 60 GLY N . 11593 1 180 . 1 1 61 61 ASP H H 1 8.207 . . 1 . . . . 61 ASP H . 11593 1 181 . 1 1 61 61 ASP C C 13 175.851 . . 1 . . . . 61 ASP C . 11593 1 182 . 1 1 61 61 ASP CA C 13 54.098 . . 1 . . . . 61 ASP CA . 11593 1 183 . 1 1 61 61 ASP CB C 13 40.864 . . 1 . . . . 61 ASP CB . 11593 1 184 . 1 1 61 61 ASP N N 15 120.665 . . 1 . . . . 61 ASP N . 11593 1 185 . 1 1 62 62 GLU H H 1 8.505 . . 1 . . . . 62 GLU H . 11593 1 186 . 1 1 62 62 GLU C C 13 176.075 . . 1 . . . . 62 GLU C . 11593 1 187 . 1 1 62 62 GLU CA C 13 56.505 . . 1 . . . . 62 GLU CA . 11593 1 188 . 1 1 62 62 GLU CB C 13 29.926 . . 1 . . . . 62 GLU CB . 11593 1 189 . 1 1 62 62 GLU N N 15 121.086 . . 1 . . . . 62 GLU N . 11593 1 190 . 1 1 63 63 ASP H H 1 8.378 . . 1 . . . . 63 ASP H . 11593 1 191 . 1 1 63 63 ASP C C 13 175.976 . . 1 . . . . 63 ASP C . 11593 1 192 . 1 1 63 63 ASP CA C 13 53.989 . . 1 . . . . 63 ASP CA . 11593 1 193 . 1 1 63 63 ASP CB C 13 40.645 . . 1 . . . . 63 ASP CB . 11593 1 194 . 1 1 63 63 ASP N N 15 121.121 . . 1 . . . . 63 ASP N . 11593 1 195 . 1 1 64 64 LEU H H 1 8.156 . . 1 . . . . 64 LEU H . 11593 1 196 . 1 1 64 64 LEU C C 13 174.342 . . 1 . . . . 64 LEU C . 11593 1 197 . 1 1 64 64 LEU CA C 13 55.302 . . 1 . . . . 64 LEU CA . 11593 1 198 . 1 1 64 64 LEU CB C 13 41.739 . . 1 . . . . 64 LEU CB . 11593 1 199 . 1 1 64 64 LEU N N 15 122.525 . . 1 . . . . 64 LEU N . 11593 1 200 . 1 1 65 65 GLU H H 1 8.383 . . 1 . . . . 65 GLU H . 11593 1 201 . 1 1 65 65 GLU C C 13 175.155 . . 1 . . . . 65 GLU C . 11593 1 202 . 1 1 65 65 GLU CA C 13 56.942 . . 1 . . . . 65 GLU CA . 11593 1 203 . 1 1 65 65 GLU CB C 13 29.488 . . 1 . . . . 65 GLU CB . 11593 1 204 . 1 1 65 65 GLU N N 15 119.85 . . 1 . . . . 65 GLU N . 11593 1 205 . 1 1 66 66 THR H H 1 7.936 . . 1 . . . . 66 THR H . 11593 1 206 . 1 1 66 66 THR C C 13 177.428 . . 1 . . . . 66 THR C . 11593 1 207 . 1 1 66 66 THR CA C 13 62.801 . . 1 . . . . 66 THR CA . 11593 1 208 . 1 1 66 66 THR CB C 13 68.864 . . 1 . . . . 66 THR CB . 11593 1 209 . 1 1 66 66 THR N N 15 113.726 . . 1 . . . . 66 THR N . 11593 1 210 . 1 1 67 67 LYS H H 1 8.096 . . 1 . . . . 67 LYS H . 11593 1 211 . 1 1 67 67 LYS C C 13 175.954 . . 1 . . . . 67 LYS C . 11593 1 212 . 1 1 67 67 LYS CA C 13 56.286 . . 1 . . . . 67 LYS CA . 11593 1 213 . 1 1 67 67 LYS CB C 13 32.223 . . 1 . . . . 67 LYS CB . 11593 1 214 . 1 1 67 67 LYS N N 15 122.816 . . 1 . . . . 67 LYS N . 11593 1 215 . 1 1 68 68 LYS H H 1 8.001 . . 1 . . . . 68 LYS H . 11593 1 216 . 1 1 68 68 LYS C C 13 176.182 . . 1 . . . . 68 LYS C . 11593 1 217 . 1 1 68 68 LYS CA C 13 56.732 . . 1 . . . . 68 LYS CA . 11593 1 218 . 1 1 68 68 LYS CB C 13 32.989 . . 1 . . . . 68 LYS CB . 11593 1 219 . 1 1 68 68 LYS N N 15 121.099 . . 1 . . . . 68 LYS N . 11593 1 220 . 1 1 69 69 PHE H H 1 8.093 . . 1 . . . . 69 PHE H . 11593 1 221 . 1 1 69 69 PHE C C 13 177.086 . . 1 . . . . 69 PHE C . 11593 1 222 . 1 1 69 69 PHE CA C 13 57.27 . . 1 . . . . 69 PHE CA . 11593 1 223 . 1 1 69 69 PHE CB C 13 39.114 . . 1 . . . . 69 PHE CB . 11593 1 224 . 1 1 69 69 PHE N N 15 120.465 . . 1 . . . . 69 PHE N . 11593 1 225 . 1 1 70 70 ARG H H 1 8.001 . . 1 . . . . 70 ARG H . 11593 1 226 . 1 1 70 70 ARG C C 13 177.068 . . 1 . . . . 70 ARG C . 11593 1 227 . 1 1 70 70 ARG CA C 13 55.411 . . 1 . . . . 70 ARG CA . 11593 1 228 . 1 1 70 70 ARG CB C 13 30.582 . . 1 . . . . 70 ARG CB . 11593 1 229 . 1 1 70 70 ARG N N 15 122.578 . . 1 . . . . 70 ARG N . 11593 1 230 . 1 1 71 71 PHE H H 1 8.19 . . 1 . . . . 71 PHE H . 11593 1 231 . 1 1 71 71 PHE C C 13 176.364 . . 1 . . . . 71 PHE C . 11593 1 232 . 1 1 71 71 PHE CA C 13 57.38 . . 1 . . . . 71 PHE CA . 11593 1 233 . 1 1 71 71 PHE CB C 13 39.223 . . 1 . . . . 71 PHE CB . 11593 1 234 . 1 1 71 71 PHE N N 15 121.763 . . 1 . . . . 71 PHE N . 11593 1 235 . 1 1 72 72 GLU H H 1 8.235 . . 1 . . . . 72 GLU H . 11593 1 236 . 1 1 72 72 GLU C C 13 176.934 . . 1 . . . . 72 GLU C . 11593 1 237 . 1 1 72 72 GLU CA C 13 55.411 . . 1 . . . . 72 GLU CA . 11593 1 238 . 1 1 72 72 GLU CB C 13 30.692 . . 1 . . . . 72 GLU CB . 11593 1 239 . 1 1 72 72 GLU N N 15 122.686 . . 1 . . . . 72 GLU N . 11593 1 240 . 1 1 73 73 GLU H H 1 8.33 . . 1 . . . . 73 GLU H . 11593 1 241 . 1 1 73 73 GLU C C 13 178.044 . . 1 . . . . 73 GLU C . 11593 1 242 . 1 1 73 73 GLU CA C 13 53.77 . . 1 . . . . 73 GLU CA . 11593 1 243 . 1 1 73 73 GLU CB C 13 29.27 . . 1 . . . . 73 GLU CB . 11593 1 244 . 1 1 73 73 GLU N N 15 123.8 . . 1 . . . . 73 GLU N . 11593 1 245 . 1 1 75 75 VAL H H 1 8.252 . . 1 . . . . 75 VAL H . 11593 1 246 . 1 1 75 75 VAL C C 13 176.546 . . 1 . . . . 75 VAL C . 11593 1 247 . 1 1 75 75 VAL CA C 13 62.302 . . 1 . . . . 75 VAL CA . 11593 1 248 . 1 1 75 75 VAL CB C 13 32.004 . . 1 . . . . 75 VAL CB . 11593 1 249 . 1 1 75 75 VAL N N 15 121.494 . . 1 . . . . 75 VAL N . 11593 1 250 . 1 1 76 76 VAL H H 1 8.292 . . 1 . . . . 76 VAL H . 11593 1 251 . 1 1 76 76 VAL C C 13 176.866 . . 1 . . . . 76 VAL C . 11593 1 252 . 1 1 76 76 VAL CA C 13 61.864 . . 1 . . . . 76 VAL CA . 11593 1 253 . 1 1 76 76 VAL CB C 13 32.442 . . 1 . . . . 76 VAL CB . 11593 1 254 . 1 1 76 76 VAL N N 15 125.933 . . 1 . . . . 76 VAL N . 11593 1 255 . 1 1 77 77 LEU H H 1 8.464 . . 1 . . . . 77 LEU H . 11593 1 256 . 1 1 77 77 LEU C C 13 177.398 . . 1 . . . . 77 LEU C . 11593 1 257 . 1 1 77 77 LEU CA C 13 52.637 . . 1 . . . . 77 LEU CA . 11593 1 258 . 1 1 77 77 LEU CB C 13 41.192 . . 1 . . . . 77 LEU CB . 11593 1 259 . 1 1 77 77 LEU N N 15 128.788 . . 1 . . . . 77 LEU N . 11593 1 260 . 1 1 79 79 ASP H H 1 8.367 . . 1 . . . . 79 ASP H . 11593 1 261 . 1 1 79 79 ASP C C 13 176.171 . . 1 . . . . 79 ASP C . 11593 1 262 . 1 1 79 79 ASP CA C 13 54.208 . . 1 . . . . 79 ASP CA . 11593 1 263 . 1 1 79 79 ASP CB C 13 40.645 . . 1 . . . . 79 ASP CB . 11593 1 264 . 1 1 79 79 ASP N N 15 120.28 . . 1 . . . . 79 ASP N . 11593 1 265 . 1 1 80 80 LEU H H 1 8.218 . . 1 . . . . 80 LEU H . 11593 1 266 . 1 1 80 80 LEU C C 13 175.186 . . 1 . . . . 80 LEU C . 11593 1 267 . 1 1 80 80 LEU CA C 13 54.973 . . 1 . . . . 80 LEU CA . 11593 1 268 . 1 1 80 80 LEU CB C 13 41.848 . . 1 . . . . 80 LEU CB . 11593 1 269 . 1 1 80 80 LEU N N 15 122.822 . . 1 . . . . 80 LEU N . 11593 1 270 . 1 1 81 81 ASP H H 1 8.367 . . 1 . . . . 81 ASP H . 11593 1 271 . 1 1 81 81 ASP C C 13 176.151 . . 1 . . . . 81 ASP C . 11593 1 272 . 1 1 81 81 ASP CA C 13 53.77 . . 1 . . . . 81 ASP CA . 11593 1 273 . 1 1 81 81 ASP CB C 13 40.973 . . 1 . . . . 81 ASP CB . 11593 1 274 . 1 1 81 81 ASP N N 15 120.665 . . 1 . . . . 81 ASP N . 11593 1 275 . 1 1 83 83 GLN H H 1 8.449 . . 1 . . . . 83 GLN H . 11593 1 276 . 1 1 83 83 GLN C C 13 175.961 . . 1 . . . . 83 GLN C . 11593 1 277 . 1 1 83 83 GLN CA C 13 55.52 . . 1 . . . . 83 GLN CA . 11593 1 278 . 1 1 83 83 GLN CB C 13 28.285 . . 1 . . . . 83 GLN CB . 11593 1 279 . 1 1 83 83 GLN N N 15 120.415 . . 1 . . . . 83 GLN N . 11593 1 280 . 1 1 84 84 THR H H 1 8.139 . . 1 . . . . 84 THR H . 11593 1 281 . 1 1 84 84 THR C C 13 178.158 . . 1 . . . . 84 THR C . 11593 1 282 . 1 1 84 84 THR CA C 13 62.192 . . 1 . . . . 84 THR CA . 11593 1 283 . 1 1 84 84 THR CB C 13 69.302 . . 1 . . . . 84 THR CB . 11593 1 284 . 1 1 84 84 THR N N 15 114.722 . . 1 . . . . 84 THR N . 11593 1 285 . 1 1 85 85 ASP H H 1 8.329 . . 1 . . . . 85 ASP H . 11593 1 286 . 1 1 85 85 ASP C C 13 176.098 . . 1 . . . . 85 ASP C . 11593 1 287 . 1 1 85 85 ASP CA C 13 53.88 . . 1 . . . . 85 ASP CA . 11593 1 288 . 1 1 85 85 ASP CB C 13 40.536 . . 1 . . . . 85 ASP CB . 11593 1 289 . 1 1 85 85 ASP N N 15 122.197 . . 1 . . . . 85 ASP N . 11593 1 290 . 1 1 86 86 HIS H H 1 8.398 . . 1 . . . . 86 HIS H . 11593 1 291 . 1 1 86 86 HIS C C 13 176.98 . . 1 . . . . 86 HIS C . 11593 1 292 . 1 1 86 86 HIS CA C 13 55.932 . . 1 . . . . 86 HIS CA . 11593 1 293 . 1 1 86 86 HIS CB C 13 28.613 . . 1 . . . . 86 HIS CB . 11593 1 294 . 1 1 86 86 HIS N N 15 120.416 . . 1 . . . . 86 HIS N . 11593 1 295 . 1 1 88 88 GLN H H 1 8.341 . . 1 . . . . 88 GLN H . 11593 1 296 . 1 1 88 88 GLN C C 13 176.296 . . 1 . . . . 88 GLN C . 11593 1 297 . 1 1 88 88 GLN CA C 13 56.067 . . 1 . . . . 88 GLN CA . 11593 1 298 . 1 1 88 88 GLN CB C 13 28.613 . . 1 . . . . 88 GLN CB . 11593 1 299 . 1 1 88 88 GLN N N 15 119.954 . . 1 . . . . 88 GLN N . 11593 1 300 . 1 1 89 89 TRP H H 1 8.165 . . 1 . . . . 89 TRP H . 11593 1 301 . 1 1 89 89 TRP C C 13 175.558 . . 1 . . . . 89 TRP C . 11593 1 302 . 1 1 89 89 TRP CA C 13 57.38 . . 1 . . . . 89 TRP CA . 11593 1 303 . 1 1 89 89 TRP CB C 13 29.051 . . 1 . . . . 89 TRP CB . 11593 1 304 . 1 1 89 89 TRP N N 15 121.794 . . 1 . . . . 89 TRP N . 11593 1 305 . 1 1 90 90 THR H H 1 8.034 . . 1 . . . . 90 THR H . 11593 1 306 . 1 1 90 90 THR C C 13 177.831 . . 1 . . . . 90 THR C . 11593 1 307 . 1 1 90 90 THR CA C 13 61.864 . . 1 . . . . 90 THR CA . 11593 1 308 . 1 1 90 90 THR CB C 13 69.411 . . 1 . . . . 90 THR CB . 11593 1 309 . 1 1 90 90 THR N N 15 114.948 . . 1 . . . . 90 THR N . 11593 1 310 . 1 1 91 91 GLN H H 1 8.207 . . 1 . . . . 91 GLN H . 11593 1 311 . 1 1 91 91 GLN C C 13 176.349 . . 1 . . . . 91 GLN C . 11593 1 312 . 1 1 91 91 GLN CA C 13 56.067 . . 1 . . . . 91 GLN CA . 11593 1 313 . 1 1 91 91 GLN CB C 13 29.094 . . 1 . . . . 91 GLN CB . 11593 1 314 . 1 1 91 91 GLN N N 15 121.682 . . 1 . . . . 91 GLN N . 11593 1 315 . 1 1 92 92 GLN H H 1 8.226 . . 1 . . . . 92 GLN H . 11593 1 316 . 1 1 92 92 GLN C C 13 176.486 . . 1 . . . . 92 GLN C . 11593 1 317 . 1 1 92 92 GLN CA C 13 56.286 . . 1 . . . . 92 GLN CA . 11593 1 318 . 1 1 92 92 GLN CB C 13 28.723 . . 1 . . . . 92 GLN CB . 11593 1 319 . 1 1 92 92 GLN N N 15 120.465 . . 1 . . . . 92 GLN N . 11593 1 320 . 1 1 93 93 HIS H H 1 8.341 . . 1 . . . . 93 HIS H . 11593 1 321 . 1 1 93 93 HIS C C 13 177.558 . . 1 . . . . 93 HIS C . 11593 1 322 . 1 1 93 93 HIS CA C 13 55.739 . . 1 . . . . 93 HIS CA . 11593 1 323 . 1 1 93 93 HIS CB C 13 29.051 . . 1 . . . . 93 HIS CB . 11593 1 324 . 1 1 93 93 HIS N N 15 119.586 . . 1 . . . . 93 HIS N . 11593 1 325 . 1 1 94 94 LEU H H 1 8.193 . . 1 . . . . 94 LEU H . 11593 1 326 . 1 1 94 94 LEU C C 13 175.353 . . 1 . . . . 94 LEU C . 11593 1 327 . 1 1 94 94 LEU CA C 13 54.973 . . 1 . . . . 94 LEU CA . 11593 1 328 . 1 1 94 94 LEU CB C 13 41.739 . . 1 . . . . 94 LEU CB . 11593 1 329 . 1 1 94 94 LEU N N 15 123.535 . . 1 . . . . 94 LEU N . 11593 1 330 . 1 1 95 95 ASP H H 1 8.506 . . 1 . . . . 95 ASP H . 11593 1 331 . 1 1 95 95 ASP C C 13 176.09 . . 1 . . . . 95 ASP C . 11593 1 332 . 1 1 95 95 ASP CA C 13 54.208 . . 1 . . . . 95 ASP CA . 11593 1 333 . 1 1 95 95 ASP CB C 13 40.864 . . 1 . . . . 95 ASP CB . 11593 1 334 . 1 1 95 95 ASP N N 15 121.431 . . 1 . . . . 95 ASP N . 11593 1 335 . 1 1 96 96 ALA H H 1 8.184 . . 1 . . . . 96 ALA H . 11593 1 336 . 1 1 96 96 ALA C C 13 174.289 . . 1 . . . . 96 ALA C . 11593 1 337 . 1 1 96 96 ALA CA C 13 53.114 . . 1 . . . . 96 ALA CA . 11593 1 338 . 1 1 96 96 ALA CB C 13 18.909 . . 1 . . . . 96 ALA CB . 11593 1 339 . 1 1 96 96 ALA N N 15 124.351 . . 1 . . . . 96 ALA N . 11593 1 340 . 1 1 97 97 ALA H H 1 8.263 . . 1 . . . . 97 ALA H . 11593 1 341 . 1 1 97 97 ALA C C 13 174.365 . . 1 . . . . 97 ALA C . 11593 1 342 . 1 1 97 97 ALA CA C 13 52.348 . . 1 . . . . 97 ALA CA . 11593 1 343 . 1 1 97 97 ALA CB C 13 18.551 . . 1 . . . . 97 ALA CB . 11593 1 344 . 1 1 97 97 ALA N N 15 122.057 . . 1 . . . . 97 ALA N . 11593 1 345 . 1 1 98 98 ASP H H 1 8.12 . . 1 . . . . 98 ASP H . 11593 1 346 . 1 1 98 98 ASP C C 13 175.535 . . 1 . . . . 98 ASP C . 11593 1 347 . 1 1 98 98 ASP CA C 13 54.536 . . 1 . . . . 98 ASP CA . 11593 1 348 . 1 1 98 98 ASP CB C 13 40.645 . . 1 . . . . 98 ASP CB . 11593 1 349 . 1 1 98 98 ASP N N 15 118.673 . . 1 . . . . 98 ASP N . 11593 1 350 . 1 1 99 99 LEU H H 1 8.064 . . 1 . . . . 99 LEU H . 11593 1 351 . 1 1 99 99 LEU C C 13 174.456 . . 1 . . . . 99 LEU C . 11593 1 352 . 1 1 99 99 LEU CA C 13 55.192 . . 1 . . . . 99 LEU CA . 11593 1 353 . 1 1 99 99 LEU CB C 13 41.629 . . 1 . . . . 99 LEU CB . 11593 1 354 . 1 1 99 99 LEU N N 15 122.811 . . 1 . . . . 99 LEU N . 11593 1 355 . 1 1 100 100 ARG H H 1 8.174 . . 1 . . . . 100 ARG H . 11593 1 356 . 1 1 100 100 ARG C C 13 175.459 . . 1 . . . . 100 ARG C . 11593 1 357 . 1 1 100 100 ARG CA C 13 56.286 . . 1 . . . . 100 ARG CA . 11593 1 358 . 1 1 100 100 ARG CB C 13 29.926 . . 1 . . . . 100 ARG CB . 11593 1 359 . 1 1 100 100 ARG N N 15 120.272 . . 1 . . . . 100 ARG N . 11593 1 360 . 1 1 101 101 MET H H 1 8.195 . . 1 . . . . 101 MET H . 11593 1 361 . 1 1 101 101 MET C C 13 175.703 . . 1 . . . . 101 MET C . 11593 1 362 . 1 1 101 101 MET CA C 13 55.083 . . 1 . . . . 101 MET CA . 11593 1 363 . 1 1 101 101 MET CB C 13 32.004 . . 1 . . . . 101 MET CB . 11593 1 364 . 1 1 101 101 MET N N 15 119.748 . . 1 . . . . 101 MET N . 11593 1 365 . 1 1 102 102 SER H H 1 8.178 . . 1 . . . . 102 SER H . 11593 1 366 . 1 1 102 102 SER C C 13 178.105 . . 1 . . . . 102 SER C . 11593 1 367 . 1 1 102 102 SER CA C 13 58.474 . . 1 . . . . 102 SER CA . 11593 1 368 . 1 1 102 102 SER CB C 13 63.396 . . 1 . . . . 102 SER CB . 11593 1 369 . 1 1 102 102 SER N N 15 116.274 . . 1 . . . . 102 SER N . 11593 1 370 . 1 1 103 103 ALA H H 1 8.186 . . 1 . . . . 103 ALA H . 11593 1 371 . 1 1 103 103 ALA C C 13 176.09 . . 1 . . . . 103 ALA C . 11593 1 372 . 1 1 103 103 ALA CA C 13 52.13 . . 1 . . . . 103 ALA CA . 11593 1 373 . 1 1 103 103 ALA CB C 13 18.769 . . 1 . . . . 103 ALA CB . 11593 1 374 . 1 1 103 103 ALA N N 15 125.411 . . 1 . . . . 103 ALA N . 11593 1 375 . 1 1 104 104 MET H H 1 8.123 . . 1 . . . . 104 MET H . 11593 1 376 . 1 1 104 104 MET C C 13 176.91 . . 1 . . . . 104 MET C . 11593 1 377 . 1 1 104 104 MET CA C 13 55.093 . . 1 . . . . 104 MET CA . 11593 1 378 . 1 1 104 104 MET CB C 13 32.66 . . 1 . . . . 104 MET CB . 11593 1 379 . 1 1 104 104 MET N N 15 118.958 . . 1 . . . . 104 MET N . 11593 1 380 . 1 1 105 105 ALA H H 1 8.223 . . 1 . . . . 105 ALA H . 11593 1 381 . 1 1 105 105 ALA C C 13 177.155 . . 1 . . . . 105 ALA C . 11593 1 382 . 1 1 105 105 ALA CA C 13 50.37 . . 1 . . . . 105 ALA CA . 11593 1 383 . 1 1 105 105 ALA CB C 13 18.113 . . 1 . . . . 105 ALA CB . 11593 1 384 . 1 1 105 105 ALA N N 15 126.684 . . 1 . . . . 105 ALA N . 11593 1 385 . 1 1 107 107 THR H H 1 8.316 . . 1 . . . . 107 THR H . 11593 1 386 . 1 1 107 107 THR C C 13 172.966 . . 1 . . . . 107 THR C . 11593 1 387 . 1 1 107 107 THR CA C 13 59.239 . . 1 . . . . 107 THR CA . 11593 1 388 . 1 1 107 107 THR CB C 13 69.302 . . 1 . . . . 107 THR CB . 11593 1 389 . 1 1 107 107 THR N N 15 117.675 . . 1 . . . . 107 THR N . 11593 1 390 . 1 1 110 110 GLN H H 1 8.545 . . 1 . . . . 110 GLN H . 11593 1 391 . 1 1 110 110 GLN C C 13 175.984 . . 1 . . . . 110 GLN C . 11593 1 392 . 1 1 110 110 GLN CA C 13 55.52 . . 1 . . . . 110 GLN CA . 11593 1 393 . 1 1 110 110 GLN CB C 13 29.16 . . 1 . . . . 110 GLN CB . 11593 1 394 . 1 1 110 110 GLN N N 15 120.734 . . 1 . . . . 110 GLN N . 11593 1 395 . 1 1 111 111 GLY H H 1 8.415 . . 1 . . . . 111 GLY H . 11593 1 396 . 1 1 111 111 GLY C C 13 178.637 . . 1 . . . . 111 GLY C . 11593 1 397 . 1 1 111 111 GLY CA C 13 44.692 . . 1 . . . . 111 GLY CA . 11593 1 398 . 1 1 111 111 GLY N N 15 110.332 . . 1 . . . . 111 GLY N . 11593 1 399 . 1 1 112 112 GLU H H 1 8.311 . . 1 . . . . 112 GLU H . 11593 1 400 . 1 1 112 112 GLU C C 13 175.862 . . 1 . . . . 112 GLU C . 11593 1 401 . 1 1 112 112 GLU CA C 13 55.848 . . 1 . . . . 112 GLU CA . 11593 1 402 . 1 1 112 112 GLU CB C 13 30.363 . . 1 . . . . 112 GLU CB . 11593 1 403 . 1 1 112 112 GLU N N 15 120.658 . . 1 . . . . 112 GLU N . 11593 1 404 . 1 1 113 113 VAL H H 1 8.22 . . 1 . . . . 113 VAL H . 11593 1 405 . 1 1 113 113 VAL C C 13 176.647 . . 1 . . . . 113 VAL C . 11593 1 406 . 1 1 113 113 VAL CA C 13 61.923 . . 1 . . . . 113 VAL CA . 11593 1 407 . 1 1 113 113 VAL CB C 13 32.66 . . 1 . . . . 113 VAL CB . 11593 1 408 . 1 1 113 113 VAL N N 15 120.879 . . 1 . . . . 113 VAL N . 11593 1 409 . 1 1 114 114 ASP H H 1 8.436 . . 1 . . . . 114 ASP H . 11593 1 410 . 1 1 114 114 ASP C C 13 176.303 . . 1 . . . . 114 ASP C . 11593 1 411 . 1 1 114 114 ASP CA C 13 53.661 . . 1 . . . . 114 ASP CA . 11593 1 412 . 1 1 114 114 ASP CB C 13 40.754 . . 1 . . . . 114 ASP CB . 11593 1 413 . 1 1 114 114 ASP N N 15 124.328 . . 1 . . . . 114 ASP N . 11593 1 414 . 1 1 115 115 ALA H H 1 8.291 . . 1 . . . . 115 ALA H . 11593 1 415 . 1 1 115 115 ALA C C 13 174.692 . . 1 . . . . 115 ALA C . 11593 1 416 . 1 1 115 115 ALA CA C 13 52.786 . . 1 . . . . 115 ALA CA . 11593 1 417 . 1 1 115 115 ALA CB C 13 18.988 . . 1 . . . . 115 ALA CB . 11593 1 418 . 1 1 115 115 ALA N N 15 124.809 . . 1 . . . . 115 ALA N . 11593 1 419 . 1 1 116 116 ASP H H 1 8.371 . . 1 . . . . 116 ASP H . 11593 1 420 . 1 1 116 116 ASP C C 13 176.09 . . 1 . . . . 116 ASP C . 11593 1 421 . 1 1 116 116 ASP CA C 13 53.77 . . 1 . . . . 116 ASP CA . 11593 1 422 . 1 1 116 116 ASP CB C 13 40.956 . . 1 . . . . 116 ASP CB . 11593 1 423 . 1 1 116 116 ASP N N 15 118.764 . . 1 . . . . 116 ASP N . 11593 1 424 . 1 1 118 118 MET H H 1 8.407 . . 1 . . . . 118 MET H . 11593 1 425 . 1 1 118 118 MET C C 13 176.645 . . 1 . . . . 118 MET C . 11593 1 426 . 1 1 118 118 MET CA C 13 55.411 . . 1 . . . . 118 MET CA . 11593 1 427 . 1 1 118 118 MET CB C 13 32.332 . . 1 . . . . 118 MET CB . 11593 1 428 . 1 1 118 118 MET N N 15 122.619 . . 1 . . . . 118 MET N . 11593 1 429 . 1 1 119 119 ASP H H 1 8.283 . . 1 . . . . 119 ASP H . 11593 1 430 . 1 1 119 119 ASP C C 13 176.045 . . 1 . . . . 119 ASP C . 11593 1 431 . 1 1 119 119 ASP CA C 13 53.989 . . 1 . . . . 119 ASP CA . 11593 1 432 . 1 1 119 119 ASP CB C 13 41.082 . . 1 . . . . 119 ASP CB . 11593 1 433 . 1 1 119 119 ASP N N 15 121.85 . . 1 . . . . 119 ASP N . 11593 1 434 . 1 1 120 120 VAL H H 1 8.084 . . 1 . . . . 120 VAL H . 11593 1 435 . 1 1 120 120 VAL C C 13 176.44 . . 1 . . . . 120 VAL C . 11593 1 436 . 1 1 120 120 VAL CA C 13 61.974 . . 1 . . . . 120 VAL CA . 11593 1 437 . 1 1 120 120 VAL CB C 13 32.004 . . 1 . . . . 120 VAL CB . 11593 1 438 . 1 1 120 120 VAL N N 15 119.913 . . 1 . . . . 120 VAL N . 11593 1 439 . 1 1 121 121 ASN H H 1 8.506 . . 1 . . . . 121 ASN H . 11593 1 440 . 1 1 121 121 ASN C C 13 177.269 . . 1 . . . . 121 ASN C . 11593 1 441 . 1 1 121 121 ASN CA C 13 53.442 . . 1 . . . . 121 ASN CA . 11593 1 442 . 1 1 121 121 ASN CB C 13 38.567 . . 1 . . . . 121 ASN CB . 11593 1 443 . 1 1 121 121 ASN N N 15 121.266 . . 1 . . . . 121 ASN N . 11593 1 444 . 1 1 122 122 VAL H H 1 7.972 . . 1 . . . . 122 VAL H . 11593 1 445 . 1 1 122 122 VAL C C 13 176.554 . . 1 . . . . 122 VAL C . 11593 1 446 . 1 1 122 122 VAL CA C 13 61.974 . . 1 . . . . 122 VAL CA . 11593 1 447 . 1 1 122 122 VAL CB C 13 32.332 . . 1 . . . . 122 VAL CB . 11593 1 448 . 1 1 122 122 VAL N N 15 120.044 . . 1 . . . . 122 VAL N . 11593 1 449 . 1 1 123 123 ARG H H 1 8.33 . . 1 . . . . 123 ARG H . 11593 1 450 . 1 1 123 123 ARG C C 13 176.03 . . 1 . . . . 123 ARG C . 11593 1 451 . 1 1 123 123 ARG CA C 13 55.932 . . 1 . . . . 123 ARG CA . 11593 1 452 . 1 1 123 123 ARG CB C 13 30.692 . . 1 . . . . 123 ARG CB . 11593 1 453 . 1 1 123 123 ARG N N 15 124.297 . . 1 . . . . 123 ARG N . 11593 1 454 . 1 1 124 124 GLY H H 1 8.263 . . 1 . . . . 124 GLY H . 11593 1 455 . 1 1 124 124 GLY C C 13 173.262 . . 1 . . . . 124 GLY C . 11593 1 456 . 1 1 124 124 GLY CA C 13 44.145 . . 1 . . . . 124 GLY CA . 11593 1 457 . 1 1 124 124 GLY N N 15 110.058 . . 1 . . . . 124 GLY N . 11593 1 458 . 1 1 126 126 ASP H H 1 8.402 . . 1 . . . . 126 ASP H . 11593 1 459 . 1 1 126 126 ASP C C 13 175.725 . . 1 . . . . 126 ASP C . 11593 1 460 . 1 1 126 126 ASP CA C 13 54.317 . . 1 . . . . 126 ASP CA . 11593 1 461 . 1 1 126 126 ASP CB C 13 40.645 . . 1 . . . . 126 ASP CB . 11593 1 462 . 1 1 126 126 ASP N N 15 119.61 . . 1 . . . . 126 ASP N . 11593 1 463 . 1 1 127 127 GLY H H 1 8.23 . . 1 . . . . 127 GLY H . 11593 1 464 . 1 1 127 127 GLY C C 13 178.675 . . 1 . . . . 127 GLY C . 11593 1 465 . 1 1 127 127 GLY CA C 13 44.911 . . 1 . . . . 127 GLY CA . 11593 1 466 . 1 1 127 127 GLY N N 15 108.651 . . 1 . . . . 127 GLY N . 11593 1 467 . 1 1 128 128 PHE H H 1 8.123 . . 1 . . . . 128 PHE H . 11593 1 468 . 1 1 128 128 PHE C C 13 176.995 . . 1 . . . . 128 PHE C . 11593 1 469 . 1 1 128 128 PHE CA C 13 57.27 . . 1 . . . . 128 PHE CA . 11593 1 470 . 1 1 128 128 PHE CB C 13 39.989 . . 1 . . . . 128 PHE CB . 11593 1 471 . 1 1 128 128 PHE N N 15 120.286 . . 1 . . . . 128 PHE N . 11593 1 472 . 1 1 129 129 THR H H 1 7.83 . . 1 . . . . 129 THR H . 11593 1 473 . 1 1 129 129 THR C C 13 173.08 . . 1 . . . . 129 THR C . 11593 1 474 . 1 1 129 129 THR CA C 13 58.685 . . 1 . . . . 129 THR CA . 11593 1 475 . 1 1 129 129 THR CB C 13 70.257 . . 1 . . . . 129 THR CB . 11593 1 476 . 1 1 129 129 THR N N 15 114.948 . . 1 . . . . 129 THR N . 11593 1 stop_ save_