data_19084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19084 _Entry.Title ; The Mengovirus Leader protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-12 _Entry.Accession_date 2013-03-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Claudia Cornilescu . C. . 19084 2 Frederick Porter . W. . 19084 3 'Kate Qin' Zao . . . 19084 4 Valarie Davis . . . 19084 5 Ann Palmenberg . C. . 19084 6 John Markley . L. . 19084 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Markley Lab, Madison, WI' . 19084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 19084 '15N chemical shifts' 65 19084 '1H chemical shifts' 231 19084 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-10-07 2013-03-12 update BMRB 'update entry citation' 19084 1 . . 2013-04-17 2013-03-12 original author 'original release' 19084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MMH 'BMRB Entry Tracking System' 19084 PDB 2M7Y 'PDB entry' 19084 stop_ save_ ############### # Citations # ############### save_mengoL _Citation.Sf_category citations _Citation.Sf_framecode mengoL _Citation.Entry_ID 19084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structures of Mengovirus Leader Protein, its Phosphorylated Derivatives, and in Complex with Nuclear Transport Protein, RanGTPase' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Nat. Acad. Sci, U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Valjean Bacot-Davis . R. . 19084 1 2 J. Ciomperlik . J. . 19084 1 3 H. Basta . A. . 19084 1 4 Claudia Cornilescu . C. . 19084 1 5 Ann Palmenberg . C. . 19084 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cardiovirus 19084 1 'leader protein' 19084 1 mengovirus 19084 1 NMR 19084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19084 _Assembly.ID 1 _Assembly.Name mengovirus _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 mengovirus 1 $full_length_mengoL A . yes native no no . . . 19084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_full_length_mengoL _Entity.Sf_category entity _Entity.Sf_framecode full_length_mengoL _Entity.Entry_ID 19084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name full_length_mengoL _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 ; GSTAMATTMEQEICAHSMTF EECPKCSALQYRNGFYLLKY DEEWYPEELLTDGEDDVFDP DLDMEVVFETQ ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _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 2015-11-25 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 1 no BMRB 19855 . entity_1 . . . . . 100.00 71 100.00 100.00 4.97e-44 . . . . 19084 1 2 no BMRB 19857 . entity_1 . . . . . 100.00 71 97.18 97.18 3.07e-42 . . . . 19084 1 3 no BMRB 19858 . entity_1 . . . . . 100.00 71 98.59 98.59 2.69e-43 . . . . 19084 1 4 no PDB 2M7Y . "The Mengovirus Leader Protein" . . . . . 100.00 71 100.00 100.00 4.97e-44 . . . . 19084 1 5 no PDB 2MMH . "Unphosphorylated Mengovirus Leader Protein: Nmr Studies Of The Phosphorylation Of The Mengovirus Leader Protein Reveal Stabiliz" . . . . . 100.00 71 100.00 100.00 4.97e-44 . . . . 19084 1 6 no PDB 2MMI . "Mengovirus Leader: Structural Characterization Of The Mengovirus Leader Protein Bound To Ran Gtpase By Nuclear Magnetic Resonan" . . . . . 100.00 71 100.00 100.00 4.97e-44 . . . . 19084 1 7 no PDB 2MMK . "Y41 And T47 Phosphorylation Of The Mengovirus Leader Protein: Nmr Studies Of The Phosphorylation Of The Mengovirus Leader Prote" . . . . . 100.00 71 97.18 97.18 3.07e-42 . . . . 19084 1 8 no PDB 2MML . "T47 Phosphorylation Of The Mengovirus Leader Protein: Nmr Studies Of The Phosphorylation Of The Mengovirus Leader Protein Revea" . . . . . 100.00 71 98.59 98.59 2.69e-43 . . . . 19084 1 9 no EMBL CAE84564 . "polyprotein, partial [Encephalomyocarditis virus]" . . . . . 94.37 901 98.51 100.00 4.03e-39 . . . . 19084 1 10 no EMBL CAE84565 . "polyprotein, partial [Encephalomyocarditis virus]" . . . . . 94.37 901 98.51 100.00 4.32e-39 . . . . 19084 1 11 no EMBL CAE84566 . "polyprotein, partial [Encephalomyocarditis virus]" . . . . . 94.37 901 98.51 100.00 3.55e-39 . . . . 19084 1 12 no EMBL CAE84567 . "polyprotein, partial [Encephalomyocarditis virus]" . . . . . 94.37 901 97.01 100.00 1.65e-38 . . . . 19084 1 13 no GB AAA46547 . "polyprotein [Mengo virus]" . . . . . 94.37 2293 98.51 98.51 3.81e-37 . . . . 19084 1 14 no GB AAB59755 . "hemagglutin structural protein, partial [Mengo virus]" . . . . . 94.37 901 98.51 100.00 3.55e-39 . . . . 19084 1 15 no GB ABB97066 . "polyprotein [Mengo virus]" . . . . . 94.37 2293 100.00 100.00 4.70e-38 . . . . 19084 1 16 no GB ABI15777 . "polyprotein, partial [Encephalomyocarditis virus]" . . . . . 94.37 2274 97.01 100.00 5.70e-37 . . . . 19084 1 17 no SP P12296 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Leader protein; Contains: RecName: Full=Protein VP0; AltName: Full=VP" . . . . . 94.37 2293 100.00 100.00 4.70e-38 . . . . 19084 1 18 no SP P32540 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 94.37 901 98.51 100.00 3.55e-39 . . . . 19084 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 . GLY . 19084 1 2 . SER . 19084 1 3 . THR . 19084 1 4 . ALA . 19084 1 5 . MET . 19084 1 6 . ALA . 19084 1 7 . THR . 19084 1 8 . THR . 19084 1 9 . MET . 19084 1 10 . GLU . 19084 1 11 . GLN . 19084 1 12 . GLU . 19084 1 13 . ILE . 19084 1 14 . CYS . 19084 1 15 . ALA . 19084 1 16 . HIS . 19084 1 17 . SER . 19084 1 18 . MET . 19084 1 19 . THR . 19084 1 20 . PHE . 19084 1 21 . GLU . 19084 1 22 . GLU . 19084 1 23 . CYS . 19084 1 24 . PRO . 19084 1 25 . LYS . 19084 1 26 . CYS . 19084 1 27 . SER . 19084 1 28 . ALA . 19084 1 29 . LEU . 19084 1 30 . GLN . 19084 1 31 . TYR . 19084 1 32 . ARG . 19084 1 33 . ASN . 19084 1 34 . GLY . 19084 1 35 . PHE . 19084 1 36 . TYR . 19084 1 37 . LEU . 19084 1 38 . LEU . 19084 1 39 . LYS . 19084 1 40 . TYR . 19084 1 41 . ASP . 19084 1 42 . GLU . 19084 1 43 . GLU . 19084 1 44 . TRP . 19084 1 45 . TYR . 19084 1 46 . PRO . 19084 1 47 . GLU . 19084 1 48 . GLU . 19084 1 49 . LEU . 19084 1 50 . LEU . 19084 1 51 . THR . 19084 1 52 . ASP . 19084 1 53 . GLY . 19084 1 54 . GLU . 19084 1 55 . ASP . 19084 1 56 . ASP . 19084 1 57 . VAL . 19084 1 58 . PHE . 19084 1 59 . ASP . 19084 1 60 . PRO . 19084 1 61 . ASP . 19084 1 62 . LEU . 19084 1 63 . ASP . 19084 1 64 . MET . 19084 1 65 . GLU . 19084 1 66 . VAL . 19084 1 67 . VAL . 19084 1 68 . PHE . 19084 1 69 . GLU . 19084 1 70 . THR . 19084 1 71 . GLN . 19084 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 . GLY 1 1 19084 1 . SER 2 2 19084 1 . THR 3 3 19084 1 . ALA 4 4 19084 1 . MET 5 5 19084 1 . ALA 6 6 19084 1 . THR 7 7 19084 1 . THR 8 8 19084 1 . MET 9 9 19084 1 . GLU 10 10 19084 1 . GLN 11 11 19084 1 . GLU 12 12 19084 1 . ILE 13 13 19084 1 . CYS 14 14 19084 1 . ALA 15 15 19084 1 . HIS 16 16 19084 1 . SER 17 17 19084 1 . MET 18 18 19084 1 . THR 19 19 19084 1 . PHE 20 20 19084 1 . GLU 21 21 19084 1 . GLU 22 22 19084 1 . CYS 23 23 19084 1 . PRO 24 24 19084 1 . LYS 25 25 19084 1 . CYS 26 26 19084 1 . SER 27 27 19084 1 . ALA 28 28 19084 1 . LEU 29 29 19084 1 . GLN 30 30 19084 1 . TYR 31 31 19084 1 . ARG 32 32 19084 1 . ASN 33 33 19084 1 . GLY 34 34 19084 1 . PHE 35 35 19084 1 . TYR 36 36 19084 1 . LEU 37 37 19084 1 . LEU 38 38 19084 1 . LYS 39 39 19084 1 . TYR 40 40 19084 1 . ASP 41 41 19084 1 . GLU 42 42 19084 1 . GLU 43 43 19084 1 . TRP 44 44 19084 1 . TYR 45 45 19084 1 . PRO 46 46 19084 1 . GLU 47 47 19084 1 . GLU 48 48 19084 1 . LEU 49 49 19084 1 . LEU 50 50 19084 1 . THR 51 51 19084 1 . ASP 52 52 19084 1 . GLY 53 53 19084 1 . GLU 54 54 19084 1 . ASP 55 55 19084 1 . ASP 56 56 19084 1 . VAL 57 57 19084 1 . PHE 58 58 19084 1 . ASP 59 59 19084 1 . PRO 60 60 19084 1 . ASP 61 61 19084 1 . LEU 62 62 19084 1 . ASP 63 63 19084 1 . MET 64 64 19084 1 . GLU 65 65 19084 1 . VAL 66 66 19084 1 . VAL 67 67 19084 1 . PHE 68 68 19084 1 . GLU 69 69 19084 1 . THR 70 70 19084 1 . GLN 71 71 19084 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 19084 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $full_length_mengoL . 12104 organism . 'Mengo virus' 'Mengo virus' . . Viruses . Cardiovirus 'Encephalomyocarditis virus' . . . . . . . . . . . . . . . . . . . . . 19084 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 19084 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $full_length_mengoL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET41b . . . . . . 19084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19084 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'full length mengoL' '[U-13C; U-15N]' . . 1 $full_length_mengoL . . . 0.7 1 mM 0.1 . . . 19084 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 19084 _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' 100 10 mM 19084 1 pH 7.0 0.1 pH 19084 1 pressure 1 . atm 19084 1 temperature 298 1 K 19084 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian600 _NMR_spectrometer.Entry_ID 19084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Varian900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian900 _NMR_spectrometer.Entry_ID 19084 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19084 _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 Varian600 Varian INOVA . 600 . . . 19084 1 2 Varian900 Varian INOVA . 900 . . . 19084 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 19084 _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 $Varian600 . . . . . . . . . . . . . . . . 19084 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 10 2D-(HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 11 2D-(HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian600 . . . . . . . . . . . . . . . . 19084 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian900 . . . . . . . . . . . . . . . . 19084 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 19084 _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 water protons . . . . ppm 4.773 internal indirect 0.25 . . . . . . . . . 19084 1 H 1 water protons . . . . ppm 4.773 internal direct 1.00 . . . . . . . . . 19084 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.10 . . . . . . . . . 19084 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 19084 _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' . . . 19084 1 2 '2D 1H-13C HSQC' . . . 19084 1 3 '3D HNCO' . . . 19084 1 4 '3D CBCA(CO)NH' . . . 19084 1 5 '3D HNCACB' . . . 19084 1 6 '3D C(CO)NH' . . . 19084 1 7 '3D HBHA(CO)NH' . . . 19084 1 10 2D-(HB)CB(CGCDCE)HE . . . 19084 1 11 2D-(HB)CB(CGCD)HD . . . 19084 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 2 2 SER HA H 1 4.580 . . . . . . . 2 SER HA . 19084 1 2 . 1 1 2 2 SER HB2 H 1 3.877 . . . . . . . 2 SER HB# . 19084 1 3 . 1 1 2 2 SER HB3 H 1 3.877 . . . . . . . 2 SER HB# . 19084 1 4 . 1 1 2 2 SER C C 13 174.80 . . . . . . . 2 SER C . 19084 1 5 . 1 1 2 2 SER CA C 13 58.29 . . . . . . . 2 SER CA . 19084 1 6 . 1 1 2 2 SER CB C 13 63.99 . . . . . . . 2 SER CB . 19084 1 7 . 1 1 3 3 THR H H 1 8.304 . . . . . . . 3 THR HN . 19084 1 8 . 1 1 3 3 THR HA H 1 4.241 . . . . . . . 3 THR HA . 19084 1 9 . 1 1 3 3 THR HB H 1 4.353 . . . . . . . 3 THR HB . 19084 1 10 . 1 1 3 3 THR C C 13 174.27 . . . . . . . 3 THR C . 19084 1 11 . 1 1 3 3 THR CA C 13 61.794 . . . . . . . 3 THR CA . 19084 1 12 . 1 1 3 3 THR CB C 13 69.697 . . . . . . . 3 THR CB . 19084 1 13 . 1 1 3 3 THR CG2 C 13 21.66 . . . . . . . 3 THR CG2 . 19084 1 14 . 1 1 3 3 THR N N 15 116.20 . . . . . . . 3 THR N . 19084 1 15 . 1 1 4 4 ALA H H 1 8.353 . . . . . . . 4 ALA HN . 19084 1 16 . 1 1 4 4 ALA HA H 1 4.295 . . . . . . . 4 ALA HA . 19084 1 17 . 1 1 4 4 ALA HB1 H 1 1.361 . . . . . . . 4 ALA HB# . 19084 1 18 . 1 1 4 4 ALA HB2 H 1 1.361 . . . . . . . 4 ALA HB# . 19084 1 19 . 1 1 4 4 ALA HB3 H 1 1.361 . . . . . . . 4 ALA HB# . 19084 1 20 . 1 1 4 4 ALA C C 13 177.56 . . . . . . . 4 ALA C . 19084 1 21 . 1 1 4 4 ALA CA C 13 52.66 . . . . . . . 4 ALA CA . 19084 1 22 . 1 1 4 4 ALA CB C 13 19.26 . . . . . . . 4 ALA CB . 19084 1 23 . 1 1 4 4 ALA N N 15 126.44 . . . . . . . 4 ALA N . 19084 1 24 . 1 1 5 5 MET H H 1 8.271 . . . . . . . 5 MET HN . 19084 1 25 . 1 1 5 5 MET HA H 1 4.427 . . . . . . . 5 MET HA . 19084 1 26 . 1 1 5 5 MET HB3 H 1 1.982 . . . . . . . 5 MET HB3 . 19084 1 27 . 1 1 5 5 MET C C 13 175.91 . . . . . . . 5 MET C . 19084 1 28 . 1 1 5 5 MET CA C 13 55.36 . . . . . . . 5 MET CA . 19084 1 29 . 1 1 5 5 MET CB C 13 33.09 . . . . . . . 5 MET CB . 19084 1 30 . 1 1 5 5 MET CG C 13 32.00 . . . . . . . 5 MET CG . 19084 1 31 . 1 1 5 5 MET N N 15 119.63 . . . . . . . 5 MET N . 19084 1 32 . 1 1 6 6 ALA H H 1 8.306 . . . . . . . 6 ALA HN . 19084 1 33 . 1 1 6 6 ALA HA H 1 4.37 . . . . . . . 6 ALA HA . 19084 1 34 . 1 1 6 6 ALA HB1 H 1 1.395 . . . . . . . 6 ALA HB# . 19084 1 35 . 1 1 6 6 ALA HB2 H 1 1.395 . . . . . . . 6 ALA HB# . 19084 1 36 . 1 1 6 6 ALA HB3 H 1 1.395 . . . . . . . 6 ALA HB# . 19084 1 37 . 1 1 6 6 ALA C C 13 177.84 . . . . . . . 6 ALA C . 19084 1 38 . 1 1 6 6 ALA CA C 13 52.65 . . . . . . . 6 ALA CA . 19084 1 39 . 1 1 6 6 ALA CB C 13 19.45 . . . . . . . 6 ALA CB . 19084 1 40 . 1 1 6 6 ALA N N 15 125.18 . . . . . . . 6 ALA N . 19084 1 41 . 1 1 7 7 THR H H 1 8.163 . . . . . . . 7 THR HN . 19084 1 42 . 1 1 7 7 THR HA H 1 4.247 . . . . . . . 7 THR HA . 19084 1 43 . 1 1 7 7 THR HB H 1 4.387 . . . . . . . 7 THR HB . 19084 1 44 . 1 1 7 7 THR C C 13 174.78 . . . . . . . 7 THR C . 19084 1 45 . 1 1 7 7 THR CA C 13 61.85 . . . . . . . 7 THR CA . 19084 1 46 . 1 1 7 7 THR CB C 13 69.86 . . . . . . . 7 THR CB . 19084 1 47 . 1 1 7 7 THR CG2 C 13 21.68 . . . . . . . 7 THR CG2 . 19084 1 48 . 1 1 7 7 THR N N 15 113.17 . . . . . . . 7 THR N . 19084 1 49 . 1 1 8 8 THR H H 1 8.101 . . . . . . . 8 THR HN . 19084 1 50 . 1 1 8 8 THR HA H 1 4.43 . . . . . . . 8 THR HA . 19084 1 51 . 1 1 8 8 THR HB H 1 4.24 . . . . . . . 8 THR HB . 19084 1 52 . 1 1 8 8 THR CA C 13 61.79 . . . . . . . 8 THR CA . 19084 1 53 . 1 1 8 8 THR CB C 13 69.75 . . . . . . . 8 THR CB . 19084 1 54 . 1 1 8 8 THR CG2 C 13 21.65 . . . . . . . 8 THR CG2 . 19084 1 55 . 1 1 8 8 THR N N 15 115.69 . . . . . . . 8 THR N . 19084 1 56 . 1 1 9 9 MET H H 1 8.380 . . . . . . . 9 MET HN . 19084 1 57 . 1 1 9 9 MET HA H 1 4.436 . . . . . . . 9 MET HA . 19084 1 58 . 1 1 9 9 MET HB2 H 1 1.95 . . . . . . . 9 MET HB2 . 19084 1 59 . 1 1 9 9 MET HB3 H 1 2.05 . . . . . . . 9 MET HB3 . 19084 1 60 . 1 1 9 9 MET C C 13 176.32 . . . . . . . 9 MET C . 19084 1 61 . 1 1 9 9 MET CA C 13 55.88 . . . . . . . 9 MET CA . 19084 1 62 . 1 1 9 9 MET CB C 13 33.07 . . . . . . . 9 MET CB . 19084 1 63 . 1 1 9 9 MET CG C 13 32.01 . . . . . . . 9 MET CG . 19084 1 64 . 1 1 9 9 MET N N 15 122.30 . . . . . . . 9 MET N . 19084 1 65 . 1 1 10 10 GLU H H 1 8.435 . . . . . . . 10 GLU HN . 19084 1 66 . 1 1 10 10 GLU HA H 1 4.210 . . . . . . . 10 GLU HA . 19084 1 67 . 1 1 10 10 GLU HB2 H 1 1.937 . . . . . . . 10 GLU HB2 . 19084 1 68 . 1 1 10 10 GLU HB3 H 1 2.258 . . . . . . . 10 GLU HB3 . 19084 1 69 . 1 1 10 10 GLU C C 13 176.34 . . . . . . . 10 GLU C . 19084 1 70 . 1 1 10 10 GLU CA C 13 57.22 . . . . . . . 10 GLU CA . 19084 1 71 . 1 1 10 10 GLU CB C 13 30.08 . . . . . . . 10 GLU CB . 19084 1 72 . 1 1 10 10 GLU CG C 13 36.40 . . . . . . . 10 GLU CG . 19084 1 73 . 1 1 10 10 GLU N N 15 121.33 . . . . . . . 10 GLU N . 19084 1 74 . 1 1 11 11 GLN H H 1 8.215 . . . . . . . 11 GLN HN . 19084 1 75 . 1 1 11 11 GLN HA H 1 4.373 . . . . . . . 11 GLN HA . 19084 1 76 . 1 1 11 11 GLN HB2 H 1 1.989 . . . . . . . 11 GLN HB2 . 19084 1 77 . 1 1 11 11 GLN HB3 H 1 2.139 . . . . . . . 11 GLN HB3 . 19084 1 78 . 1 1 11 11 GLN HG3 H 1 2.35 . . . . . . . 11 GLN HG3 . 19084 1 79 . 1 1 11 11 GLN HE21 H 1 7.58 . . . . . . . 11 GLN HE21 . 19084 1 80 . 1 1 11 11 GLN HE22 H 1 6.88 . . . . . . . 11 GLN HE22 . 19084 1 81 . 1 1 11 11 GLN C C 13 175.61 . . . . . . . 11 GLN C . 19084 1 82 . 1 1 11 11 GLN CA C 13 55.73 . . . . . . . 11 GLN CA . 19084 1 83 . 1 1 11 11 GLN CB C 13 29.8 . . . . . . . 11 GLN CB . 19084 1 84 . 1 1 11 11 GLN CG C 13 34.10 . . . . . . . 11 GLN CG . 19084 1 85 . 1 1 11 11 GLN N N 15 119.53 . . . . . . . 11 GLN N . 19084 1 86 . 1 1 11 11 GLN NE2 N 15 112.2 . . . . . . . 11 GLN NE . 19084 1 87 . 1 1 12 12 GLU H H 1 8.415 . . . . . . . 12 GLU HN . 19084 1 88 . 1 1 12 12 GLU HA H 1 4.373 . . . . . . . 12 GLU HA . 19084 1 89 . 1 1 12 12 GLU HB2 H 1 2.015 . . . . . . . 12 GLU HB2 . 19084 1 90 . 1 1 12 12 GLU HB3 H 1 2.114 . . . . . . . 12 GLU HB3 . 19084 1 91 . 1 1 12 12 GLU C C 13 175.33 . . . . . . . 12 GLU C . 19084 1 92 . 1 1 12 12 GLU CA C 13 56.80 . . . . . . . 12 GLU CA . 19084 1 93 . 1 1 12 12 GLU CB C 13 30.58 . . . . . . . 12 GLU CB . 19084 1 94 . 1 1 12 12 GLU CG C 13 36.44 . . . . . . . 12 GLU CG . 19084 1 95 . 1 1 12 12 GLU N N 15 122.08 . . . . . . . 12 GLU N . 19084 1 96 . 1 1 13 13 ILE H H 1 7.994 . . . . . . . 13 ILE HN . 19084 1 97 . 1 1 13 13 ILE HA H 1 4.600 . . . . . . . 13 ILE HA . 19084 1 98 . 1 1 13 13 ILE HB H 1 1.783 . . . . . . . 13 ILE HB . 19084 1 99 . 1 1 13 13 ILE C C 13 175.997 . . . . . . . 13 ILE C . 19084 1 100 . 1 1 13 13 ILE CA C 13 58.65 . . . . . . . 13 ILE CA . 19084 1 101 . 1 1 13 13 ILE CB C 13 38.96 . . . . . . . 13 ILE CB . 19084 1 102 . 1 1 13 13 ILE CG1 C 13 26.31 . . . . . . . 13 ILE CG1 . 19084 1 103 . 1 1 13 13 ILE CG2 C 13 17.27 . . . . . . . 13 ILE CG2 . 19084 1 104 . 1 1 13 13 ILE CD1 C 13 11.32 . . . . . . . 13 ILE CD1 . 19084 1 105 . 1 1 13 13 ILE N N 15 121.10 . . . . . . . 13 ILE N . 19084 1 106 . 1 1 14 14 CYS H H 1 9.095 . . . . . . . 14 CYS HN . 19084 1 107 . 1 1 14 14 CYS HA H 1 4.541 . . . . . . . 14 CYS HA . 19084 1 108 . 1 1 14 14 CYS HB2 H 1 1.799 . . . . . . . 14 CYS HB2 . 19084 1 109 . 1 1 14 14 CYS HB3 H 1 3.467 . . . . . . . 14 CYS HB3 . 19084 1 110 . 1 1 14 14 CYS C C 13 177.20 . . . . . . . 14 CYS C . 19084 1 111 . 1 1 14 14 CYS CA C 13 58.07 . . . . . . . 14 CYS CA . 19084 1 112 . 1 1 14 14 CYS CB C 13 32.97 . . . . . . . 14 CYS CB . 19084 1 113 . 1 1 14 14 CYS N N 15 126.597 . . . . . . . 14 CYS N . 19084 1 114 . 1 1 15 15 ALA H H 1 8.284 . . . . . . . 15 ALA HN . 19084 1 115 . 1 1 15 15 ALA HA H 1 3.987 . . . . . . . 15 ALA HA . 19084 1 116 . 1 1 15 15 ALA HB1 H 1 0.96 . . . . . . . 15 ALA HB# . 19084 1 117 . 1 1 15 15 ALA HB2 H 1 0.96 . . . . . . . 15 ALA HB# . 19084 1 118 . 1 1 15 15 ALA HB3 H 1 0.96 . . . . . . . 15 ALA HB# . 19084 1 119 . 1 1 15 15 ALA C C 13 177.92 . . . . . . . 15 ALA C . 19084 1 120 . 1 1 15 15 ALA CA C 13 53.84 . . . . . . . 15 ALA CA . 19084 1 121 . 1 1 15 15 ALA CB C 13 18.68 . . . . . . . 15 ALA CB . 19084 1 122 . 1 1 15 15 ALA N N 15 121.82 . . . . . . . 15 ALA N . 19084 1 123 . 1 1 16 16 HIS H H 1 10.375 . . . . . . . 16 HIS HN . 19084 1 124 . 1 1 16 16 HIS HA H 1 4.593 . . . . . . . 16 HIS HA . 19084 1 125 . 1 1 16 16 HIS HB2 H 1 2.854 . . . . . . . 16 HIS HB2 . 19084 1 126 . 1 1 16 16 HIS HB3 H 1 3.480 . . . . . . . 16 HIS HB3 . 19084 1 127 . 1 1 16 16 HIS C C 13 174.64 . . . . . . . 16 HIS C . 19084 1 128 . 1 1 16 16 HIS CA C 13 56.35 . . . . . . . 16 HIS CA . 19084 1 129 . 1 1 16 16 HIS CB C 13 29.84 . . . . . . . 16 HIS CB . 19084 1 130 . 1 1 16 16 HIS N N 15 121.96 . . . . . . . 16 HIS N . 19084 1 131 . 1 1 17 17 SER H H 1 8.179 . . . . . . . 17 SER HN . 19084 1 132 . 1 1 17 17 SER HA H 1 3.803 . . . . . . . 17 SER HA . 19084 1 133 . 1 1 17 17 SER HB2 H 1 4.106 . . . . . . . 17 SER HB# . 19084 1 134 . 1 1 17 17 SER HB3 H 1 4.106 . . . . . . . 17 SER HB# . 19084 1 135 . 1 1 17 17 SER C C 13 172.99 . . . . . . . 17 SER C . 19084 1 136 . 1 1 17 17 SER CA C 13 59.65 . . . . . . . 17 SER CA . 19084 1 137 . 1 1 17 17 SER CB C 13 60.90 . . . . . . . 17 SER CB . 19084 1 138 . 1 1 17 17 SER N N 15 112.04 . . . . . . . 17 SER N . 19084 1 139 . 1 1 18 18 MET H H 1 7.568 . . . . . . . 18 MET HN . 19084 1 140 . 1 1 18 18 MET HA H 1 4.792 . . . . . . . 18 MET HA . 19084 1 141 . 1 1 18 18 MET HB2 H 1 2.018 . . . . . . . 18 MET HB2 . 19084 1 142 . 1 1 18 18 MET HB3 H 1 2.197 . . . . . . . 18 MET HB3 . 19084 1 143 . 1 1 18 18 MET C C 13 174.174 . . . . . . . 18 MET C . 19084 1 144 . 1 1 18 18 MET CA C 13 53.79 . . . . . . . 18 MET CA . 19084 1 145 . 1 1 18 18 MET CB C 13 36.79 . . . . . . . 18 MET CB . 19084 1 146 . 1 1 18 18 MET CG C 13 32.52 . . . . . . . 18 MET CG . 19084 1 147 . 1 1 18 18 MET N N 15 119.20 . . . . . . . 18 MET N . 19084 1 148 . 1 1 19 19 THR H H 1 8.450 . . . . . . . 19 THR HN . 19084 1 149 . 1 1 19 19 THR HA H 1 4.719 . . . . . . . 19 THR HA . 19084 1 150 . 1 1 19 19 THR HB H 1 4.517 . . . . . . . 19 THR HB . 19084 1 151 . 1 1 19 19 THR C C 13 176.40 . . . . . . . 19 THR C . 19084 1 152 . 1 1 19 19 THR CA C 13 62.39 . . . . . . . 19 THR CA . 19084 1 153 . 1 1 19 19 THR CB C 13 69.77 . . . . . . . 19 THR CB . 19084 1 154 . 1 1 19 19 THR CG2 C 13 22.21 . . . . . . . 19 THR CG2 . 19084 1 155 . 1 1 19 19 THR N N 15 111.91 . . . . . . . 19 THR N . 19084 1 156 . 1 1 20 20 PHE H H 1 8.452 . . . . . . . 20 PHE HN . 19084 1 157 . 1 1 20 20 PHE HA H 1 3.806 . . . . . . . 20 PHE HA . 19084 1 158 . 1 1 20 20 PHE HB2 H 1 2.934 . . . . . . . 20 PHE HB# . 19084 1 159 . 1 1 20 20 PHE HB3 H 1 2.934 . . . . . . . 20 PHE HB# . 19084 1 160 . 1 1 20 20 PHE C C 13 177.24 . . . . . . . 20 PHE C . 19084 1 161 . 1 1 20 20 PHE CA C 13 63.20 . . . . . . . 20 PHE CA . 19084 1 162 . 1 1 20 20 PHE CB C 13 39.34 . . . . . . . 20 PHE CB . 19084 1 163 . 1 1 20 20 PHE N N 15 122.27 . . . . . . . 20 PHE N . 19084 1 164 . 1 1 21 21 GLU H H 1 8.33 . . . . . . . 21 GLU HN . 19084 1 165 . 1 1 21 21 GLU HA H 1 4.006 . . . . . . . 21 GLU HA . 19084 1 166 . 1 1 21 21 GLU HB3 H 1 2.007 . . . . . . . 21 GLU HB3 . 19084 1 167 . 1 1 21 21 GLU C C 13 177.41 . . . . . . . 21 GLU C . 19084 1 168 . 1 1 21 21 GLU CA C 13 58.71 . . . . . . . 21 GLU CA . 19084 1 169 . 1 1 21 21 GLU CB C 13 29.68 . . . . . . . 21 GLU CB . 19084 1 170 . 1 1 21 21 GLU CG C 13 36.66 . . . . . . . 21 GLU CG . 19084 1 171 . 1 1 21 21 GLU N N 15 112.43 . . . . . . . 21 GLU N . 19084 1 172 . 1 1 22 22 GLU H H 1 7.488 . . . . . . . 22 GLU HN . 19084 1 173 . 1 1 22 22 GLU HA H 1 4.220 . . . . . . . 22 GLU HA . 19084 1 174 . 1 1 22 22 GLU HB2 H 1 2.012 . . . . . . . 22 GLU HB# . 19084 1 175 . 1 1 22 22 GLU HB3 H 1 2.012 . . . . . . . 22 GLU HB# . 19084 1 176 . 1 1 22 22 GLU C C 13 176.00 . . . . . . . 22 GLU C . 19084 1 177 . 1 1 22 22 GLU CA C 13 56.10 . . . . . . . 22 GLU CA . 19084 1 178 . 1 1 22 22 GLU CB C 13 31.32 . . . . . . . 22 GLU CB . 19084 1 179 . 1 1 22 22 GLU CG C 13 36.84 . . . . . . . 22 GLU CG . 19084 1 180 . 1 1 22 22 GLU N N 15 116.54 . . . . . . . 22 GLU N . 19084 1 181 . 1 1 23 23 CYS H H 1 7.763 . . . . . . . 23 CYS HN . 19084 1 182 . 1 1 23 23 CYS CA C 13 57.12 . . . . . . . 23 CYS CA . 19084 1 183 . 1 1 23 23 CYS CB C 13 31.44 . . . . . . . 23 CYS CB . 19084 1 184 . 1 1 23 23 CYS N N 15 124.74 . . . . . . . 23 CYS N . 19084 1 185 . 1 1 24 24 PRO HA H 1 4.284 . . . . . . . 24 PRO HA . 19084 1 186 . 1 1 24 24 PRO HB2 H 1 1.943 . . . . . . . 24 PRO HB2 . 19084 1 187 . 1 1 24 24 PRO HB3 H 1 2.258 . . . . . . . 24 PRO HB3 . 19084 1 188 . 1 1 24 24 PRO C C 13 176.83 . . . . . . . 24 PRO C . 19084 1 189 . 1 1 24 24 PRO CA C 13 63.42 . . . . . . . 24 PRO CA . 19084 1 190 . 1 1 24 24 PRO CB C 13 32.24 . . . . . . . 24 PRO CB . 19084 1 191 . 1 1 24 24 PRO CG C 13 26.84 . . . . . . . 24 PRO CG . 19084 1 192 . 1 1 24 24 PRO CD C 13 50.79 . . . . . . . 24 PRO CD . 19084 1 193 . 1 1 25 25 LYS H H 1 8.293 . . . . . . . 25 LYS HN . 19084 1 194 . 1 1 25 25 LYS HA H 1 4.248 . . . . . . . 25 LYS HA . 19084 1 195 . 1 1 25 25 LYS HB2 H 1 1.411 . . . . . . . 25 LYS HB2 . 19084 1 196 . 1 1 25 25 LYS HB3 H 1 1.670 . . . . . . . 25 LYS HB3 . 19084 1 197 . 1 1 25 25 LYS C C 13 178.89 . . . . . . . 25 LYS C . 19084 1 198 . 1 1 25 25 LYS CA C 13 58.31 . . . . . . . 25 LYS CA . 19084 1 199 . 1 1 25 25 LYS CB C 13 33.77 . . . . . . . 25 LYS CB . 19084 1 200 . 1 1 25 25 LYS CG C 13 28.79 . . . . . . . 25 LYS CG . 19084 1 201 . 1 1 25 25 LYS CD C 13 25.11 . . . . . . . 25 LYS CD . 19084 1 202 . 1 1 25 25 LYS CE C 13 41.5 . . . . . . . 25 LYS CE . 19084 1 203 . 1 1 25 25 LYS N N 15 119.40 . . . . . . . 25 LYS N . 19084 1 204 . 1 1 26 26 CYS H H 1 9.239 . . . . . . . 26 CYS HN . 19084 1 205 . 1 1 26 26 CYS HA H 1 4.200 . . . . . . . 26 CYS HA . 19084 1 206 . 1 1 26 26 CYS HB2 H 1 2.532 . . . . . . . 26 CYS HB2 . 19084 1 207 . 1 1 26 26 CYS HB3 H 1 3.112 . . . . . . . 26 CYS HB3 . 19084 1 208 . 1 1 26 26 CYS C C 13 177.19 . . . . . . . 26 CYS C . 19084 1 209 . 1 1 26 26 CYS CA C 13 63.28 . . . . . . . 26 CYS CA . 19084 1 210 . 1 1 26 26 CYS CB C 13 29.38 . . . . . . . 26 CYS CB . 19084 1 211 . 1 1 26 26 CYS N N 15 122.52 . . . . . . . 26 CYS N . 19084 1 212 . 1 1 27 27 SER H H 1 8.059 . . . . . . . 27 SER HN . 19084 1 213 . 1 1 27 27 SER HA H 1 4.274 . . . . . . . 27 SER HA . 19084 1 214 . 1 1 27 27 SER HB2 H 1 3.895 . . . . . . . 27 SER HB2 . 19084 1 215 . 1 1 27 27 SER HB3 H 1 4.052 . . . . . . . 27 SER HB3 . 19084 1 216 . 1 1 27 27 SER C C 13 175.73 . . . . . . . 27 SER C . 19084 1 217 . 1 1 27 27 SER CA C 13 60.36 . . . . . . . 27 SER CA . 19084 1 218 . 1 1 27 27 SER CB C 13 63.47 . . . . . . . 27 SER CB . 19084 1 219 . 1 1 27 27 SER N N 15 113.93 . . . . . . . 27 SER N . 19084 1 220 . 1 1 28 28 ALA H H 1 7.426 . . . . . . . 28 ALA HN . 19084 1 221 . 1 1 28 28 ALA HA H 1 4.308 . . . . . . . 28 ALA HA . 19084 1 222 . 1 1 28 28 ALA HB1 H 1 1.432 . . . . . . . 28 ALA HB# . 19084 1 223 . 1 1 28 28 ALA HB2 H 1 1.432 . . . . . . . 28 ALA HB# . 19084 1 224 . 1 1 28 28 ALA HB3 H 1 1.432 . . . . . . . 28 ALA HB# . 19084 1 225 . 1 1 28 28 ALA C C 13 178.40 . . . . . . . 28 ALA C . 19084 1 226 . 1 1 28 28 ALA CA C 13 52.94 . . . . . . . 28 ALA CA . 19084 1 227 . 1 1 28 28 ALA CB C 13 19.07 . . . . . . . 28 ALA CB . 19084 1 228 . 1 1 28 28 ALA N N 15 123.38 . . . . . . . 28 ALA N . 19084 1 229 . 1 1 29 29 LEU H H 1 7.734 . . . . . . . 29 LEU HN . 19084 1 230 . 1 1 29 29 LEU HA H 1 4.218 . . . . . . . 29 LEU HA . 19084 1 231 . 1 1 29 29 LEU HB2 H 1 1.540 . . . . . . . 29 LEU HB2 . 19084 1 232 . 1 1 29 29 LEU HB3 H 1 1.794 . . . . . . . 29 LEU HB3 . 19084 1 233 . 1 1 29 29 LEU C C 13 177.72 . . . . . . . 29 LEU C . 19084 1 234 . 1 1 29 29 LEU CA C 13 55.74 . . . . . . . 29 LEU CA . 19084 1 235 . 1 1 29 29 LEU CB C 13 42.17 . . . . . . . 29 LEU CB . 19084 1 236 . 1 1 29 29 LEU CG C 13 26.9 . . . . . . . 29 LEU CG . 19084 1 237 . 1 1 29 29 LEU CD1 C 13 25.17 . . . . . . . 29 LEU CD1 . 19084 1 238 . 1 1 29 29 LEU CD2 C 13 23.09 . . . . . . . 29 LEU CD2 . 19084 1 239 . 1 1 29 29 LEU N N 15 119.06 . . . . . . . 29 LEU N . 19084 1 240 . 1 1 30 30 GLN H H 1 8.076 . . . . . . . 30 GLN HN . 19084 1 241 . 1 1 30 30 GLN HA H 1 4.140 . . . . . . . 30 GLN HA . 19084 1 242 . 1 1 30 30 GLN HB3 H 1 1.914 . . . . . . . 30 GLN HB3 . 19084 1 243 . 1 1 30 30 GLN HG3 H 1 2.12 . . . . . . . 30 GLN HG3 . 19084 1 244 . 1 1 30 30 GLN HE21 H 1 7.35 . . . . . . . 30 GLN HE21 . 19084 1 245 . 1 1 30 30 GLN HE22 H 1 6.78 . . . . . . . 30 GLN HE22 . 19084 1 246 . 1 1 30 30 GLN C C 13 175.83 . . . . . . . 30 GLN C . 19084 1 247 . 1 1 30 30 GLN CA C 13 56.50 . . . . . . . 30 GLN CA . 19084 1 248 . 1 1 30 30 GLN CB C 13 29.28 . . . . . . . 30 GLN CB . 19084 1 249 . 1 1 30 30 GLN CG C 13 33.65 . . . . . . . 30 GLN CG . 19084 1 250 . 1 1 30 30 GLN N N 15 118.37 . . . . . . . 30 GLN N . 19084 1 251 . 1 1 30 30 GLN NE2 N 15 111.6 . . . . . . . 30 GLN NE . 19084 1 252 . 1 1 31 31 TYR H H 1 7.915 . . . . . . . 31 TYR HN . 19084 1 253 . 1 1 31 31 TYR HA H 1 4.543 . . . . . . . 31 TYR HA . 19084 1 254 . 1 1 31 31 TYR HB2 H 1 2.876 . . . . . . . 31 TYR HB2 . 19084 1 255 . 1 1 31 31 TYR HB3 H 1 2.992 . . . . . . . 31 TYR HB3 . 19084 1 256 . 1 1 31 31 TYR C C 13 176.07 . . . . . . . 31 TYR C . 19084 1 257 . 1 1 31 31 TYR CA C 13 57.92 . . . . . . . 31 TYR CA . 19084 1 258 . 1 1 31 31 TYR CB C 13 38.62 . . . . . . . 31 TYR CB . 19084 1 259 . 1 1 31 31 TYR N N 15 119.69 . . . . . . . 31 TYR N . 19084 1 260 . 1 1 32 32 ARG H H 1 8.122 . . . . . . . 32 ARG HN . 19084 1 261 . 1 1 32 32 ARG HA H 1 4.203 . . . . . . . 32 ARG HA . 19084 1 262 . 1 1 32 32 ARG HB2 H 1 1.658 . . . . . . . 32 ARG HB2 . 19084 1 263 . 1 1 32 32 ARG HB3 H 1 1.716 . . . . . . . 32 ARG HB3 . 19084 1 264 . 1 1 32 32 ARG C C 13 175.92 . . . . . . . 32 ARG C . 19084 1 265 . 1 1 32 32 ARG CA C 13 56.35 . . . . . . . 32 ARG CA . 19084 1 266 . 1 1 32 32 ARG CB C 13 30.91 . . . . . . . 32 ARG CB . 19084 1 267 . 1 1 32 32 ARG CG C 13 26.9 . . . . . . . 32 ARG CG . 19084 1 268 . 1 1 32 32 ARG CD C 13 43.35 . . . . . . . 32 ARG CD . 19084 1 269 . 1 1 32 32 ARG N N 15 121.80 . . . . . . . 32 ARG N . 19084 1 270 . 1 1 33 33 ASN H H 1 8.371 . . . . . . . 33 ASN HN . 19084 1 271 . 1 1 33 33 ASN HA H 1 4.573 . . . . . . . 33 ASN HA . 19084 1 272 . 1 1 33 33 ASN HB2 H 1 2.732 . . . . . . . 33 ASN HB2 . 19084 1 273 . 1 1 33 33 ASN HB3 H 1 2.840 . . . . . . . 33 ASN HB3 . 19084 1 274 . 1 1 33 33 ASN HD21 H 1 7.57 . . . . . . . 33 ASN HD21 . 19084 1 275 . 1 1 33 33 ASN HD22 H 1 6.90 . . . . . . . 33 ASN HD22 . 19084 1 276 . 1 1 33 33 ASN C C 13 175.49 . . . . . . . 33 ASN C . 19084 1 277 . 1 1 33 33 ASN CA C 13 53.79 . . . . . . . 33 ASN CA . 19084 1 278 . 1 1 33 33 ASN CB C 13 38.75 . . . . . . . 33 ASN CB . 19084 1 279 . 1 1 33 33 ASN N N 15 119.04 . . . . . . . 33 ASN N . 19084 1 280 . 1 1 33 33 ASN ND2 N 15 112.1 . . . . . . . 33 ASN ND . 19084 1 281 . 1 1 34 34 GLY H H 1 8.110 . . . . . . . 34 GLY HN . 19084 1 282 . 1 1 34 34 GLY HA2 H 1 3.739 . . . . . . . 34 GLY HA2 . 19084 1 283 . 1 1 34 34 GLY HA3 H 1 3.898 . . . . . . . 34 GLY HA3 . 19084 1 284 . 1 1 34 34 GLY C C 13 173.89 . . . . . . . 34 GLY C . 19084 1 285 . 1 1 34 34 GLY CA C 13 45.54 . . . . . . . 34 GLY CA . 19084 1 286 . 1 1 34 34 GLY N N 15 107.84 . . . . . . . 34 GLY N . 19084 1 287 . 1 1 35 35 PHE H H 1 7.919 . . . . . . . 35 PHE HN . 19084 1 288 . 1 1 35 35 PHE HA H 1 4.508 . . . . . . . 35 PHE HA . 19084 1 289 . 1 1 35 35 PHE HB2 H 1 2.842 . . . . . . . 35 PHE HB2 . 19084 1 290 . 1 1 35 35 PHE HB3 H 1 3.035 . . . . . . . 35 PHE HB3 . 19084 1 291 . 1 1 35 35 PHE C C 13 175.39 . . . . . . . 35 PHE C . 19084 1 292 . 1 1 35 35 PHE CA C 13 57.98 . . . . . . . 35 PHE CA . 19084 1 293 . 1 1 35 35 PHE CB C 13 38.77 . . . . . . . 35 PHE CB . 19084 1 294 . 1 1 35 35 PHE N N 15 119.89 . . . . . . . 35 PHE N . 19084 1 295 . 1 1 36 36 TYR H H 1 8.216 . . . . . . . 36 TYR HN . 19084 1 296 . 1 1 36 36 TYR HA H 1 4.473 . . . . . . . 36 TYR HA . 19084 1 297 . 1 1 36 36 TYR HB2 H 1 2.838 . . . . . . . 36 TYR HB2 . 19084 1 298 . 1 1 36 36 TYR HB3 H 1 2.958 . . . . . . . 36 TYR HB3 . 19084 1 299 . 1 1 36 36 TYR C C 13 175.16 . . . . . . . 36 TYR C . 19084 1 300 . 1 1 36 36 TYR CA C 13 57.97 . . . . . . . 36 TYR CA . 19084 1 301 . 1 1 36 36 TYR CB C 13 38.88 . . . . . . . 36 TYR CB . 19084 1 302 . 1 1 36 36 TYR N N 15 121.32 . . . . . . . 36 TYR N . 19084 1 303 . 1 1 37 37 LEU H H 1 7.925 . . . . . . . 37 LEU HN . 19084 1 304 . 1 1 37 37 LEU HA H 1 4.244 . . . . . . . 37 LEU HA . 19084 1 305 . 1 1 37 37 LEU HB3 H 1 1.477 . . . . . . . 37 LEU HB3 . 19084 1 306 . 1 1 37 37 LEU C C 13 176.50 . . . . . . . 37 LEU C . 19084 1 307 . 1 1 37 37 LEU CA C 13 54.97 . . . . . . . 37 LEU CA . 19084 1 308 . 1 1 37 37 LEU CB C 13 42.61 . . . . . . . 37 LEU CB . 19084 1 309 . 1 1 37 37 LEU CG C 13 26.6 . . . . . . . 37 LEU CG . 19084 1 310 . 1 1 37 37 LEU CD1 C 13 24.71 . . . . . . . 37 LEU CD1 . 19084 1 311 . 1 1 37 37 LEU CD2 C 13 23.86 . . . . . . . 37 LEU CD2 . 19084 1 312 . 1 1 37 37 LEU N N 15 123.07 . . . . . . . 37 LEU N . 19084 1 313 . 1 1 38 38 LEU H H 1 7.961 . . . . . . . 38 LEU HN . 19084 1 314 . 1 1 38 38 LEU HA H 1 4.236 . . . . . . . 38 LEU HA . 19084 1 315 . 1 1 38 38 LEU HB2 H 1 1.433 . . . . . . . 38 LEU HB2 . 19084 1 316 . 1 1 38 38 LEU HB3 H 1 1.506 . . . . . . . 38 LEU HB3 . 19084 1 317 . 1 1 38 38 LEU C C 13 176.64 . . . . . . . 38 LEU C . 19084 1 318 . 1 1 38 38 LEU CA C 13 55.11 . . . . . . . 38 LEU CA . 19084 1 319 . 1 1 38 38 LEU CB C 13 42.48 . . . . . . . 38 LEU CB . 19084 1 320 . 1 1 38 38 LEU CG C 13 27.1 . . . . . . . 38 LEU CG . 19084 1 321 . 1 1 38 38 LEU CD1 C 13 24.84 . . . . . . . 38 LEU CD1 . 19084 1 322 . 1 1 38 38 LEU CD2 C 13 23.65 . . . . . . . 38 LEU CD2 . 19084 1 323 . 1 1 38 38 LEU N N 15 122.64 . . . . . . . 38 LEU N . 19084 1 324 . 1 1 39 39 LYS H H 1 8.039 . . . . . . . 39 LYS HN . 19084 1 325 . 1 1 39 39 LYS HA H 1 4.222 . . . . . . . 39 LYS HA . 19084 1 326 . 1 1 39 39 LYS HB2 H 1 1.564 . . . . . . . 39 LYS HB2 . 19084 1 327 . 1 1 39 39 LYS HB3 H 1 1.658 . . . . . . . 39 LYS HB3 . 19084 1 328 . 1 1 39 39 LYS C C 13 175.95 . . . . . . . 39 LYS C . 19084 1 329 . 1 1 39 39 LYS CA C 13 55.82 . . . . . . . 39 LYS CA . 19084 1 330 . 1 1 39 39 LYS CB C 13 33.38 . . . . . . . 39 LYS CB . 19084 1 331 . 1 1 39 39 LYS CG C 13 28.94 . . . . . . . 39 LYS CG . 19084 1 332 . 1 1 39 39 LYS CD C 13 24.39 . . . . . . . 39 LYS CD . 19084 1 333 . 1 1 39 39 LYS CE C 13 42.0 . . . . . . . 39 LYS CE . 19084 1 334 . 1 1 39 39 LYS N N 15 121.46 . . . . . . . 39 LYS N . 19084 1 335 . 1 1 40 40 TYR H H 1 8.165 . . . . . . . 40 TYR HN . 19084 1 336 . 1 1 40 40 TYR CA C 13 57.86 . . . . . . . 40 TYR CA . 19084 1 337 . 1 1 40 40 TYR CB C 13 38.89 . . . . . . . 40 TYR CB . 19084 1 338 . 1 1 40 40 TYR N N 15 121.40 . . . . . . . 40 TYR N . 19084 1 339 . 1 1 41 41 ASP HA H 1 4.527 . . . . . . . 41 ASP HA . 19084 1 340 . 1 1 41 41 ASP HB3 H 1 2.612 . . . . . . . 41 ASP HB3 . 19084 1 341 . 1 1 41 41 ASP C C 13 175.91 . . . . . . . 41 ASP C . 19084 1 342 . 1 1 41 41 ASP CA C 13 54.33 . . . . . . . 41 ASP CA . 19084 1 343 . 1 1 41 41 ASP CB C 13 41.17 . . . . . . . 41 ASP CB . 19084 1 344 . 1 1 42 42 GLU H H 1 8.176 . . . . . . . 42 GLU HN . 19084 1 345 . 1 1 42 42 GLU HA H 1 4.165 . . . . . . . 42 GLU HA . 19084 1 346 . 1 1 42 42 GLU HB3 H 1 1.989 . . . . . . . 42 GLU HB3 . 19084 1 347 . 1 1 42 42 GLU C C 13 176.56 . . . . . . . 42 GLU C . 19084 1 348 . 1 1 42 42 GLU CA C 13 56.70 . . . . . . . 42 GLU CA . 19084 1 349 . 1 1 42 42 GLU CB C 13 30.42 . . . . . . . 42 GLU CB . 19084 1 350 . 1 1 42 42 GLU CG C 13 36.34 . . . . . . . 42 GLU CG . 19084 1 351 . 1 1 42 42 GLU N N 15 120.15 . . . . . . . 42 GLU N . 19084 1 352 . 1 1 43 43 GLU H H 1 8.422 . . . . . . . 43 GLU HN . 19084 1 353 . 1 1 43 43 GLU HA H 1 4.216 . . . . . . . 43 GLU HA . 19084 1 354 . 1 1 43 43 GLU HB3 H 1 1.899 . . . . . . . 43 GLU HB3 . 19084 1 355 . 1 1 43 43 GLU C C 13 175.45 . . . . . . . 43 GLU C . 19084 1 356 . 1 1 43 43 GLU CA C 13 56.58 . . . . . . . 43 GLU CA . 19084 1 357 . 1 1 43 43 GLU CB C 13 30.41 . . . . . . . 43 GLU CB . 19084 1 358 . 1 1 43 43 GLU CG C 13 36.19 . . . . . . . 43 GLU CG . 19084 1 359 . 1 1 43 43 GLU N N 15 121.96 . . . . . . . 43 GLU N . 19084 1 360 . 1 1 44 44 TRP H H 1 7.993 . . . . . . . 44 TRP HN . 19084 1 361 . 1 1 44 44 TRP HA H 1 4.547 . . . . . . . 44 TRP HA . 19084 1 362 . 1 1 44 44 TRP HB3 H 1 3.104 . . . . . . . 44 TRP HB3 . 19084 1 363 . 1 1 44 44 TRP C C 13 174.74 . . . . . . . 44 TRP C . 19084 1 364 . 1 1 44 44 TRP CA C 13 57.15 . . . . . . . 44 TRP CA . 19084 1 365 . 1 1 44 44 TRP CB C 13 30.21 . . . . . . . 44 TRP CB . 19084 1 366 . 1 1 44 44 TRP N N 15 122.29 . . . . . . . 44 TRP N . 19084 1 367 . 1 1 45 45 TYR H H 1 7.752 . . . . . . . 45 TYR HN . 19084 1 368 . 1 1 45 45 TYR CA C 13 55.10 . . . . . . . 45 TYR CA . 19084 1 369 . 1 1 45 45 TYR CB C 13 38.87 . . . . . . . 45 TYR CB . 19084 1 370 . 1 1 45 45 TYR N N 15 124.14 . . . . . . . 45 TYR N . 19084 1 371 . 1 1 46 46 PRO C C 13 176.79 . . . . . . . 46 PRO C . 19084 1 372 . 1 1 46 46 PRO CA C 13 62.88 . . . . . . . 46 PRO CA . 19084 1 373 . 1 1 46 46 PRO CB C 13 31.94 . . . . . . . 46 PRO CB . 19084 1 374 . 1 1 46 46 PRO CG C 13 27.02 . . . . . . . 46 PRO CG . 19084 1 375 . 1 1 46 46 PRO CD C 13 50.28 . . . . . . . 46 PRO CD . 19084 1 376 . 1 1 47 47 GLU H H 1 8.375 . . . . . . . 47 GLU HN . 19084 1 377 . 1 1 47 47 GLU CA C 13 56.76 . . . . . . . 47 GLU CA . 19084 1 378 . 1 1 47 47 GLU CB C 13 30.42 . . . . . . . 47 GLU CB . 19084 1 379 . 1 1 47 47 GLU N N 15 121.13 . . . . . . . 47 GLU N . 19084 1 380 . 1 1 49 49 LEU HA H 1 4.363 . . . . . . . 49 LEU HA . 19084 1 381 . 1 1 49 49 LEU HB3 H 1 1.582 . . . . . . . 49 LEU HB3 . 19084 1 382 . 1 1 49 49 LEU C C 13 176.94 . . . . . . . 49 LEU C . 19084 1 383 . 1 1 49 49 LEU CA C 13 54.91 . . . . . . . 49 LEU CA . 19084 1 384 . 1 1 49 49 LEU CB C 13 42.39 . . . . . . . 49 LEU CB . 19084 1 385 . 1 1 49 49 LEU CG C 13 27.02 . . . . . . . 49 LEU CG . 19084 1 386 . 1 1 49 49 LEU CD1 C 13 24.74 . . . . . . . 49 LEU CD1 . 19084 1 387 . 1 1 49 49 LEU CD2 C 13 23.54 . . . . . . . 49 LEU CD2 . 19084 1 388 . 1 1 50 50 LEU H H 1 8.280 . . . . . . . 50 LEU HN . 19084 1 389 . 1 1 50 50 LEU HA H 1 4.457 . . . . . . . 50 LEU HA . 19084 1 390 . 1 1 50 50 LEU HB2 H 1 1.583 . . . . . . . 50 LEU HB2 . 19084 1 391 . 1 1 50 50 LEU HB3 H 1 1.664 . . . . . . . 50 LEU HB3 . 19084 1 392 . 1 1 50 50 LEU C C 13 177.38 . . . . . . . 50 LEU C . 19084 1 393 . 1 1 50 50 LEU CA C 13 54.92 . . . . . . . 50 LEU CA . 19084 1 394 . 1 1 50 50 LEU CB C 13 42.26 . . . . . . . 50 LEU CB . 19084 1 395 . 1 1 50 50 LEU CG C 13 26.91 . . . . . . . 50 LEU CG . 19084 1 396 . 1 1 50 50 LEU CD1 C 13 24.95 . . . . . . . 50 LEU CD1 . 19084 1 397 . 1 1 50 50 LEU CD2 C 13 23.34 . . . . . . . 50 LEU CD2 . 19084 1 398 . 1 1 50 50 LEU N N 15 124.02 . . . . . . . 50 LEU N . 19084 1 399 . 1 1 51 51 THR H H 1 8.135 . . . . . . . 51 THR HN . 19084 1 400 . 1 1 51 51 THR HA H 1 4.238 . . . . . . . 51 THR HA . 19084 1 401 . 1 1 51 51 THR HB H 1 4.38 . . . . . . . 51 THR HB . 19084 1 402 . 1 1 51 51 THR C C 13 174.16 . . . . . . . 51 THR C . 19084 1 403 . 1 1 51 51 THR CA C 13 61.22 . . . . . . . 51 THR CA . 19084 1 404 . 1 1 51 51 THR CB C 13 69.96 . . . . . . . 51 THR CB . 19084 1 405 . 1 1 51 51 THR CG2 C 13 21.48 . . . . . . . 51 THR CG2 . 19084 1 406 . 1 1 51 51 THR N N 15 114.73 . . . . . . . 51 THR N . 19084 1 407 . 1 1 52 52 ASP H H 1 8.363 . . . . . . . 52 ASP HN . 19084 1 408 . 1 1 52 52 ASP HA H 1 4.635 . . . . . . . 52 ASP HA . 19084 1 409 . 1 1 52 52 ASP HB3 H 1 2.669 . . . . . . . 52 ASP HB3 . 19084 1 410 . 1 1 52 52 ASP C C 13 176.58 . . . . . . . 52 ASP C . 19084 1 411 . 1 1 52 52 ASP CA C 13 54.43 . . . . . . . 52 ASP CA . 19084 1 412 . 1 1 52 52 ASP CB C 13 41.38 . . . . . . . 52 ASP CB . 19084 1 413 . 1 1 52 52 ASP N N 15 122.76 . . . . . . . 52 ASP N . 19084 1 414 . 1 1 53 53 GLY H H 1 8.357 . . . . . . . 53 GLY HN . 19084 1 415 . 1 1 53 53 GLY HA3 H 1 3.956 . . . . . . . 53 GLY HA3 . 19084 1 416 . 1 1 53 53 GLY C C 13 174.22 . . . . . . . 53 GLY C . 19084 1 417 . 1 1 53 53 GLY CA C 13 45.38 . . . . . . . 53 GLY CA . 19084 1 418 . 1 1 53 53 GLY N N 15 109.46 . . . . . . . 53 GLY N . 19084 1 419 . 1 1 54 54 GLU H H 1 8.302 . . . . . . . 54 GLU HN . 19084 1 420 . 1 1 54 54 GLU HA H 1 4.24 . . . . . . . 54 GLU HA . 19084 1 421 . 1 1 54 54 GLU HB2 H 1 1.901 . . . . . . . 54 GLU HB2 . 19084 1 422 . 1 1 54 54 GLU HB3 H 1 1.985 . . . . . . . 54 GLU HB3 . 19084 1 423 . 1 1 54 54 GLU C C 13 175.98 . . . . . . . 54 GLU C . 19084 1 424 . 1 1 54 54 GLU CA C 13 56.40 . . . . . . . 54 GLU CA . 19084 1 425 . 1 1 54 54 GLU CB C 13 30.45 . . . . . . . 54 GLU CB . 19084 1 426 . 1 1 54 54 GLU CG C 13 36.16 . . . . . . . 54 GLU CG . 19084 1 427 . 1 1 54 54 GLU N N 15 120.40 . . . . . . . 54 GLU N . 19084 1 428 . 1 1 55 55 ASP H H 1 8.220 . . . . . . . 55 ASP HN . 19084 1 429 . 1 1 55 55 ASP HA H 1 4.591 . . . . . . . 55 ASP HA . 19084 1 430 . 1 1 55 55 ASP HB2 H 1 2.561 . . . . . . . 55 ASP HB2 . 19084 1 431 . 1 1 55 55 ASP HB3 H 1 2.677 . . . . . . . 55 ASP HB3 . 19084 1 432 . 1 1 55 55 ASP C C 13 175.86 . . . . . . . 55 ASP C . 19084 1 433 . 1 1 55 55 ASP CA C 13 54.36 . . . . . . . 55 ASP CA . 19084 1 434 . 1 1 55 55 ASP CB C 13 41.27 . . . . . . . 55 ASP CB . 19084 1 435 . 1 1 55 55 ASP N N 15 123.65 . . . . . . . 55 ASP N . 19084 1 436 . 1 1 56 56 ASP H H 1 8.265 . . . . . . . 56 ASP HN . 19084 1 437 . 1 1 56 56 ASP HA H 1 4.565 . . . . . . . 56 ASP HA . 19084 1 438 . 1 1 56 56 ASP HB3 H 1 2.576 . . . . . . . 56 ASP HB3 . 19084 1 439 . 1 1 56 56 ASP C C 13 175.80 . . . . . . . 56 ASP C . 19084 1 440 . 1 1 56 56 ASP CA C 13 54.37 . . . . . . . 56 ASP CA . 19084 1 441 . 1 1 56 56 ASP CB C 13 41.11 . . . . . . . 56 ASP CB . 19084 1 442 . 1 1 56 56 ASP N N 15 120.99 . . . . . . . 56 ASP N . 19084 1 443 . 1 1 57 57 VAL H H 1 7.990 . . . . . . . 57 VAL HN . 19084 1 444 . 1 1 57 57 VAL HA H 1 4.052 . . . . . . . 57 VAL HA . 19084 1 445 . 1 1 57 57 VAL C C 13 175.57 . . . . . . . 57 VAL C . 19084 1 446 . 1 1 57 57 VAL CA C 13 62.01 . . . . . . . 57 VAL CA . 19084 1 447 . 1 1 57 57 VAL CB C 13 32.96 . . . . . . . 57 VAL CB . 19084 1 448 . 1 1 57 57 VAL CG1 C 13 20.87 . . . . . . . 57 VAL CG1 . 19084 1 449 . 1 1 57 57 VAL N N 15 120.26 . . . . . . . 57 VAL N . 19084 1 450 . 1 1 58 58 PHE H H 1 8.309 . . . . . . . 58 PHE HN . 19084 1 451 . 1 1 58 58 PHE HA H 1 4.617 . . . . . . . 58 PHE HA . 19084 1 452 . 1 1 58 58 PHE HB3 H 1 3.012 . . . . . . . 58 PHE HB3 . 19084 1 453 . 1 1 58 58 PHE C C 13 174.54 . . . . . . . 58 PHE C . 19084 1 454 . 1 1 58 58 PHE CA C 13 57.28 . . . . . . . 58 PHE CA . 19084 1 455 . 1 1 58 58 PHE CB C 13 39.98 . . . . . . . 58 PHE CB . 19084 1 456 . 1 1 58 58 PHE N N 15 125.15 . . . . . . . 58 PHE N . 19084 1 457 . 1 1 59 59 ASP H H 1 8.303 . . . . . . . 59 ASP HN . 19084 1 458 . 1 1 59 59 ASP CA C 13 51.42 . . . . . . . 59 ASP CA . 19084 1 459 . 1 1 59 59 ASP CB C 13 41.50 . . . . . . . 59 ASP CB . 19084 1 460 . 1 1 59 59 ASP N N 15 125.19 . . . . . . . 59 ASP N . 19084 1 461 . 1 1 61 61 ASP HA H 1 4.572 . . . . . . . 61 ASP HA . 19084 1 462 . 1 1 61 61 ASP HB2 H 1 2.568 . . . . . . . 61 ASP HB2 . 19084 1 463 . 1 1 61 61 ASP HB3 H 1 2.717 . . . . . . . 61 ASP HB3 . 19084 1 464 . 1 1 61 61 ASP C C 13 176.35 . . . . . . . 61 ASP C . 19084 1 465 . 1 1 61 61 ASP CA C 13 54.57 . . . . . . . 61 ASP CA . 19084 1 466 . 1 1 61 61 ASP CB C 13 40.84 . . . . . . . 61 ASP CB . 19084 1 467 . 1 1 62 62 LEU H H 1 7.743 . . . . . . . 62 LEU HN . 19084 1 468 . 1 1 62 62 LEU HA H 1 4.243 . . . . . . . 62 LEU HA . 19084 1 469 . 1 1 62 62 LEU HB3 H 1 1.583 . . . . . . . 62 LEU HB3 . 19084 1 470 . 1 1 62 62 LEU C C 13 177.09 . . . . . . . 62 LEU C . 19084 1 471 . 1 1 62 62 LEU CA C 13 55.36 . . . . . . . 62 LEU CA . 19084 1 472 . 1 1 62 62 LEU CB C 13 42.54 . . . . . . . 62 LEU CB . 19084 1 473 . 1 1 62 62 LEU CG C 13 26.68 . . . . . . . 62 LEU CG . 19084 1 474 . 1 1 62 62 LEU CD1 C 13 24.86 . . . . . . . 62 LEU CD1 . 19084 1 475 . 1 1 62 62 LEU CD2 C 13 23.48 . . . . . . . 62 LEU CD2 . 19084 1 476 . 1 1 62 62 LEU N N 15 121.95 . . . . . . . 62 LEU N . 19084 1 477 . 1 1 63 63 ASP H H 1 8.256 . . . . . . . 63 ASP HN . 19084 1 478 . 1 1 63 63 ASP HA H 1 4.586 . . . . . . . 63 ASP HA . 19084 1 479 . 1 1 63 63 ASP HB2 H 1 2.560 . . . . . . . 63 ASP HB2 . 19084 1 480 . 1 1 63 63 ASP HB3 H 1 2.729 . . . . . . . 63 ASP HB3 . 19084 1 481 . 1 1 63 63 ASP C C 13 176.08 . . . . . . . 63 ASP C . 19084 1 482 . 1 1 63 63 ASP CA C 13 54.41 . . . . . . . 63 ASP CA . 19084 1 483 . 1 1 63 63 ASP CB C 13 41.00 . . . . . . . 63 ASP CB . 19084 1 484 . 1 1 63 63 ASP N N 15 121.21 . . . . . . . 63 ASP N . 19084 1 485 . 1 1 64 64 MET H H 1 8.132 . . . . . . . 64 MET HN . 19084 1 486 . 1 1 64 64 MET CA C 13 55.40 . . . . . . . 64 MET CA . 19084 1 487 . 1 1 64 64 MET CB C 13 33.16 . . . . . . . 64 MET CB . 19084 1 488 . 1 1 64 64 MET CG C 13 31.93 . . . . . . . 64 MET CG . 19084 1 489 . 1 1 64 64 MET N N 15 120.75 . . . . . . . 64 MET N . 19084 1 490 . 1 1 65 65 GLU HA H 1 4.241 . . . . . . . 65 GLU HA . 19084 1 491 . 1 1 65 65 GLU HB3 H 1 1.958 . . . . . . . 65 GLU HB3 . 19084 1 492 . 1 1 65 65 GLU C C 13 176.21 . . . . . . . 65 GLU C . 19084 1 493 . 1 1 65 65 GLU CA C 13 56.65 . . . . . . . 65 GLU CA . 19084 1 494 . 1 1 65 65 GLU CB C 13 30.22 . . . . . . . 65 GLU CB . 19084 1 495 . 1 1 66 66 VAL H H 1 8.100 . . . . . . . 66 VAL HN . 19084 1 496 . 1 1 66 66 VAL HA H 1 4.003 . . . . . . . 66 VAL HA . 19084 1 497 . 1 1 66 66 VAL HB H 1 1.932 . . . . . . . 66 VAL HB . 19084 1 498 . 1 1 66 66 VAL C C 13 175.66 . . . . . . . 66 VAL C . 19084 1 499 . 1 1 66 66 VAL CA C 13 62.37 . . . . . . . 66 VAL CA . 19084 1 500 . 1 1 66 66 VAL CB C 13 32.74 . . . . . . . 66 VAL CB . 19084 1 501 . 1 1 66 66 VAL CG1 C 13 21.05 . . . . . . . 66 VAL CG1 . 19084 1 502 . 1 1 66 66 VAL N N 15 122.44 . . . . . . . 66 VAL N . 19084 1 503 . 1 1 67 67 VAL H H 1 8.124 . . . . . . . 67 VAL HN . 19084 1 504 . 1 1 67 67 VAL HA H 1 4.054 . . . . . . . 67 VAL HA . 19084 1 505 . 1 1 67 67 VAL HB H 1 1.944 . . . . . . . 67 VAL HB . 19084 1 506 . 1 1 67 67 VAL C C 13 175.64 . . . . . . . 67 VAL C . 19084 1 507 . 1 1 67 67 VAL CA C 13 61.90 . . . . . . . 67 VAL CA . 19084 1 508 . 1 1 67 67 VAL CB C 13 33.02 . . . . . . . 67 VAL CB . 19084 1 509 . 1 1 67 67 VAL CG1 C 13 20.91 . . . . . . . 67 VAL CG1 . 19084 1 510 . 1 1 67 67 VAL N N 15 124.85 . . . . . . . 67 VAL N . 19084 1 511 . 1 1 68 68 PHE H H 1 8.369 . . . . . . . 68 PHE HN . 19084 1 512 . 1 1 68 68 PHE HA H 1 4.649 . . . . . . . 68 PHE HA . 19084 1 513 . 1 1 68 68 PHE HB2 H 1 2.953 . . . . . . . 68 PHE HB2 . 19084 1 514 . 1 1 68 68 PHE HB3 H 1 3.113 . . . . . . . 68 PHE HB3 . 19084 1 515 . 1 1 68 68 PHE C C 13 175.50 . . . . . . . 68 PHE C . 19084 1 516 . 1 1 68 68 PHE CA C 13 57.46 . . . . . . . 68 PHE CA . 19084 1 517 . 1 1 68 68 PHE CB C 13 39.96 . . . . . . . 68 PHE CB . 19084 1 518 . 1 1 68 68 PHE N N 15 125.00 . . . . . . . 68 PHE N . 19084 1 519 . 1 1 69 69 GLU H H 1 8.402 . . . . . . . 69 GLU HN . 19084 1 520 . 1 1 69 69 GLU HA H 1 4.341 . . . . . . . 69 GLU HA . 19084 1 521 . 1 1 69 69 GLU HB2 H 1 1.902 . . . . . . . 69 GLU HB2 . 19084 1 522 . 1 1 69 69 GLU HB3 H 1 2.018 . . . . . . . 69 GLU HB3 . 19084 1 523 . 1 1 69 69 GLU C C 13 176.18 . . . . . . . 69 GLU C . 19084 1 524 . 1 1 69 69 GLU CA C 13 56.41 . . . . . . . 69 GLU CA . 19084 1 525 . 1 1 69 69 GLU CB C 13 30.64 . . . . . . . 69 GLU CB . 19084 1 526 . 1 1 69 69 GLU CG C 13 36.19 . . . . . . . 69 GLU CG . 19084 1 527 . 1 1 69 69 GLU N N 15 122.96 . . . . . . . 69 GLU N . 19084 1 528 . 1 1 70 70 THR H H 1 8.220 . . . . . . . 70 THR HN . 19084 1 529 . 1 1 70 70 THR HA H 1 4.309 . . . . . . . 70 THR HA . 19084 1 530 . 1 1 70 70 THR HB H 1 4.205 . . . . . . . 70 THR HB . 19084 1 531 . 1 1 70 70 THR C C 13 173.70 . . . . . . . 70 THR C . 19084 1 532 . 1 1 70 70 THR CA C 13 61.79 . . . . . . . 70 THR CA . 19084 1 533 . 1 1 70 70 THR CB C 13 69.88 . . . . . . . 70 THR CB . 19084 1 534 . 1 1 70 70 THR CG2 C 13 21.56 . . . . . . . 70 THR CG2 . 19084 1 535 . 1 1 70 70 THR N N 15 116.00 . . . . . . . 70 THR N . 19084 1 536 . 1 1 71 71 GLN H H 1 8.054 . . . . . . . 71 GLN HN . 19084 1 537 . 1 1 71 71 GLN HA H 1 4.17 . . . . . . . 71 GLN HA . 19084 1 538 . 1 1 71 71 GLN HB2 H 1 1.91 . . . . . . . 71 GLN HB2 . 19084 1 539 . 1 1 71 71 GLN HB3 H 1 2.11 . . . . . . . 71 GLN HB3 . 19084 1 540 . 1 1 71 71 GLN HG3 H 1 2.29 . . . . . . . 71 GLN HG3 . 19084 1 541 . 1 1 71 71 GLN HE21 H 1 7.51 . . . . . . . 71 GLN HE21 . 19084 1 542 . 1 1 71 71 GLN HE22 H 1 6.78 . . . . . . . 71 GLN HE22 . 19084 1 543 . 1 1 71 71 GLN CA C 13 57.41 . . . . . . . 71 GLN CA . 19084 1 544 . 1 1 71 71 GLN CB C 13 30.51 . . . . . . . 71 GLN CB . 19084 1 545 . 1 1 71 71 GLN CG C 13 34.3 . . . . . . . 71 GLN CG . 19084 1 546 . 1 1 71 71 GLN N N 15 127.75 . . . . . . . 71 GLN N . 19084 1 547 . 1 1 71 71 GLN NE2 N 15 112.1 . . . . . . . 71 GLN NE . 19084 1 stop_ save_