data_27793 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27793 _Entry.Title ; NMR resonance assignments of the T102R mutant of the EVH1 domain of neurofibromin's recruitment factor Spred1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-20 _Entry.Accession_date 2019-02-20 _Entry.Last_release_date 2019-02-20 _Entry.Original_release_date 2019-02-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sebastian Fuehrer . . . . 27793 2 Martin Tollinger . . . . 27793 3 Theresia Dunzendorfer-Matt . . . . 27793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 27793 '15N chemical shifts' 120 27793 '1H chemical shifts' 125 27793 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-03-15 . original BMRB . 27793 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27162 "NMR resonance assignments of the EVH1-domain of Neurofibromin's recruitment factor Spred1" 27793 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27793 _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 ; Binding mode of a Legius syndrome patient derived mutant form of the EVH1 domain of Neurofibromin s recruitment factor Spred1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _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 . _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 Sebastian Fuehrer . . . . 27793 1 2 Martin Tollinger . . . . 27793 1 3 Theresia Dunzendorfer-Matt . . . . 27793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27793 _Assembly.ID 1 _Assembly.Name 'T102R Spred1-EVH1' _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 13550 _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 'T102R Spred1-EVH1' 1 $T102R_Spred1-EVH1 A . yes native no no . . . 27793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T102R_Spred1-EVH1 _Entity.Sf_category entity _Entity.Sf_framecode T102R_Spred1-EVH1 _Entity.Entry_ID 27793 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T102R_Spred1-EVH1 _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 ; MGSYARVRAVVMTRDDSSGG WLPLGGSGLSSVTVFKVPHQ EENGCADFFIRGERLRDKMV VLECMLKKDLIYNKVTPTFH HWKIDDKKFGLRFQSPADAR AFDRGIRRAIEDISQGCPES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -1, M 0, G 13, S ; _Entity.Polymer_author_seq_details 'The two first residues, Met-Gly, are derived from the plasmid' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'It was introduced an arginine at position 102. The original protein is Spred1-EVH1 (BMRB number 27162).' _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 . 27793 1 2 0 GLY . 27793 1 3 13 SER . 27793 1 4 14 TYR . 27793 1 5 15 ALA . 27793 1 6 16 ARG . 27793 1 7 17 VAL . 27793 1 8 18 ARG . 27793 1 9 19 ALA . 27793 1 10 20 VAL . 27793 1 11 21 VAL . 27793 1 12 22 MET . 27793 1 13 23 THR . 27793 1 14 24 ARG . 27793 1 15 25 ASP . 27793 1 16 26 ASP . 27793 1 17 27 SER . 27793 1 18 28 SER . 27793 1 19 29 GLY . 27793 1 20 30 GLY . 27793 1 21 31 TRP . 27793 1 22 32 LEU . 27793 1 23 33 PRO . 27793 1 24 34 LEU . 27793 1 25 35 GLY . 27793 1 26 36 GLY . 27793 1 27 37 SER . 27793 1 28 38 GLY . 27793 1 29 39 LEU . 27793 1 30 40 SER . 27793 1 31 41 SER . 27793 1 32 42 VAL . 27793 1 33 43 THR . 27793 1 34 44 VAL . 27793 1 35 45 PHE . 27793 1 36 46 LYS . 27793 1 37 47 VAL . 27793 1 38 48 PRO . 27793 1 39 49 HIS . 27793 1 40 50 GLN . 27793 1 41 51 GLU . 27793 1 42 52 GLU . 27793 1 43 53 ASN . 27793 1 44 54 GLY . 27793 1 45 55 CYS . 27793 1 46 56 ALA . 27793 1 47 57 ASP . 27793 1 48 58 PHE . 27793 1 49 59 PHE . 27793 1 50 60 ILE . 27793 1 51 61 ARG . 27793 1 52 62 GLY . 27793 1 53 63 GLU . 27793 1 54 64 ARG . 27793 1 55 65 LEU . 27793 1 56 66 ARG . 27793 1 57 67 ASP . 27793 1 58 68 LYS . 27793 1 59 69 MET . 27793 1 60 70 VAL . 27793 1 61 71 VAL . 27793 1 62 72 LEU . 27793 1 63 73 GLU . 27793 1 64 74 CYS . 27793 1 65 75 MET . 27793 1 66 76 LEU . 27793 1 67 77 LYS . 27793 1 68 78 LYS . 27793 1 69 79 ASP . 27793 1 70 80 LEU . 27793 1 71 81 ILE . 27793 1 72 82 TYR . 27793 1 73 83 ASN . 27793 1 74 84 LYS . 27793 1 75 85 VAL . 27793 1 76 86 THR . 27793 1 77 87 PRO . 27793 1 78 88 THR . 27793 1 79 89 PHE . 27793 1 80 90 HIS . 27793 1 81 91 HIS . 27793 1 82 92 TRP . 27793 1 83 93 LYS . 27793 1 84 94 ILE . 27793 1 85 95 ASP . 27793 1 86 96 ASP . 27793 1 87 97 LYS . 27793 1 88 98 LYS . 27793 1 89 99 PHE . 27793 1 90 100 GLY . 27793 1 91 101 LEU . 27793 1 92 102 ARG . 27793 1 93 103 PHE . 27793 1 94 104 GLN . 27793 1 95 105 SER . 27793 1 96 106 PRO . 27793 1 97 107 ALA . 27793 1 98 108 ASP . 27793 1 99 109 ALA . 27793 1 100 110 ARG . 27793 1 101 111 ALA . 27793 1 102 112 PHE . 27793 1 103 113 ASP . 27793 1 104 114 ARG . 27793 1 105 115 GLY . 27793 1 106 116 ILE . 27793 1 107 117 ARG . 27793 1 108 118 ARG . 27793 1 109 119 ALA . 27793 1 110 120 ILE . 27793 1 111 121 GLU . 27793 1 112 122 ASP . 27793 1 113 123 ILE . 27793 1 114 124 SER . 27793 1 115 125 GLN . 27793 1 116 126 GLY . 27793 1 117 127 CYS . 27793 1 118 128 PRO . 27793 1 119 129 GLU . 27793 1 120 130 SER . 27793 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 27793 1 . GLY 2 2 27793 1 . SER 3 3 27793 1 . TYR 4 4 27793 1 . ALA 5 5 27793 1 . ARG 6 6 27793 1 . VAL 7 7 27793 1 . ARG 8 8 27793 1 . ALA 9 9 27793 1 . VAL 10 10 27793 1 . VAL 11 11 27793 1 . MET 12 12 27793 1 . THR 13 13 27793 1 . ARG 14 14 27793 1 . ASP 15 15 27793 1 . ASP 16 16 27793 1 . SER 17 17 27793 1 . SER 18 18 27793 1 . GLY 19 19 27793 1 . GLY 20 20 27793 1 . TRP 21 21 27793 1 . LEU 22 22 27793 1 . PRO 23 23 27793 1 . LEU 24 24 27793 1 . GLY 25 25 27793 1 . GLY 26 26 27793 1 . SER 27 27 27793 1 . GLY 28 28 27793 1 . LEU 29 29 27793 1 . SER 30 30 27793 1 . SER 31 31 27793 1 . VAL 32 32 27793 1 . THR 33 33 27793 1 . VAL 34 34 27793 1 . PHE 35 35 27793 1 . LYS 36 36 27793 1 . VAL 37 37 27793 1 . PRO 38 38 27793 1 . HIS 39 39 27793 1 . GLN 40 40 27793 1 . GLU 41 41 27793 1 . GLU 42 42 27793 1 . ASN 43 43 27793 1 . GLY 44 44 27793 1 . CYS 45 45 27793 1 . ALA 46 46 27793 1 . ASP 47 47 27793 1 . PHE 48 48 27793 1 . PHE 49 49 27793 1 . ILE 50 50 27793 1 . ARG 51 51 27793 1 . GLY 52 52 27793 1 . GLU 53 53 27793 1 . ARG 54 54 27793 1 . LEU 55 55 27793 1 . ARG 56 56 27793 1 . ASP 57 57 27793 1 . LYS 58 58 27793 1 . MET 59 59 27793 1 . VAL 60 60 27793 1 . VAL 61 61 27793 1 . LEU 62 62 27793 1 . GLU 63 63 27793 1 . CYS 64 64 27793 1 . MET 65 65 27793 1 . LEU 66 66 27793 1 . LYS 67 67 27793 1 . LYS 68 68 27793 1 . ASP 69 69 27793 1 . LEU 70 70 27793 1 . ILE 71 71 27793 1 . TYR 72 72 27793 1 . ASN 73 73 27793 1 . LYS 74 74 27793 1 . VAL 75 75 27793 1 . THR 76 76 27793 1 . PRO 77 77 27793 1 . THR 78 78 27793 1 . PHE 79 79 27793 1 . HIS 80 80 27793 1 . HIS 81 81 27793 1 . TRP 82 82 27793 1 . LYS 83 83 27793 1 . ILE 84 84 27793 1 . ASP 85 85 27793 1 . ASP 86 86 27793 1 . LYS 87 87 27793 1 . LYS 88 88 27793 1 . PHE 89 89 27793 1 . GLY 90 90 27793 1 . LEU 91 91 27793 1 . ARG 92 92 27793 1 . PHE 93 93 27793 1 . GLN 94 94 27793 1 . SER 95 95 27793 1 . PRO 96 96 27793 1 . ALA 97 97 27793 1 . ASP 98 98 27793 1 . ALA 99 99 27793 1 . ARG 100 100 27793 1 . ALA 101 101 27793 1 . PHE 102 102 27793 1 . ASP 103 103 27793 1 . ARG 104 104 27793 1 . GLY 105 105 27793 1 . ILE 106 106 27793 1 . ARG 107 107 27793 1 . ARG 108 108 27793 1 . ALA 109 109 27793 1 . ILE 110 110 27793 1 . GLU 111 111 27793 1 . ASP 112 112 27793 1 . ILE 113 113 27793 1 . SER 114 114 27793 1 . GLN 115 115 27793 1 . GLY 116 116 27793 1 . CYS 117 117 27793 1 . PRO 118 118 27793 1 . GLU 119 119 27793 1 . SER 120 120 27793 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 27793 _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 $T102R_Spred1-EVH1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27793 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 27793 _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 $T102R_Spred1-EVH1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21 Star (DE3)' . . . . . pET21d . . . 27793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27793 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T102R Spred1-EVH1' '[U-99% 13C; U-99% 15N]' . . 1 $T102R_Spred1-EVH1 . . 0.9 0.6 1.2 mM . . . . 27793 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27793 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27793 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 27793 _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' 70 . mM 27793 1 pH 6.0 . pH 27793 1 pressure 1 . atm 27793 1 temperature 298 . K 27793 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27793 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27793 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27793 1 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 27793 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27793 _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 Agilent DD2 . 500 . . . 27793 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 27793 _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 . . . . . . . . . . . . . . . . 27793 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27793 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27793 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27793 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 27793 _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 0.251449530251449530 . . . . . 27793 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000 . . . . . 27793 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.10132911801329118 . . . . . 27793 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 27793 _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' . . . 27793 1 2 '3D HNCO' . . . 27793 1 3 '3D HNCACB' . . . 27793 1 4 '3D CBCA(CO)NH' . . . 27793 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.320 0.01 . 1 . . . . . 13 SER H . 27793 1 2 . 1 1 3 3 SER C C 13 174.724 0.1 . 1 . . . . . 13 SER C . 27793 1 3 . 1 1 3 3 SER CA C 13 58.391 0.15 . 1 . . . . . 13 SER CA . 27793 1 4 . 1 1 3 3 SER CB C 13 64.365 0.15 . 1 . . . . . 13 SER CB . 27793 1 5 . 1 1 3 3 SER N N 15 115.578 0.05 . 1 . . . . . 13 SER N . 27793 1 6 . 1 1 4 4 TYR H H 1 9.319 0.01 . 1 . . . . . 14 TYR H . 27793 1 7 . 1 1 4 4 TYR C C 13 176.394 0.1 . 1 . . . . . 14 TYR C . 27793 1 8 . 1 1 4 4 TYR CA C 13 58.678 0.15 . 1 . . . . . 14 TYR CA . 27793 1 9 . 1 1 4 4 TYR CB C 13 38.858 0.15 . 1 . . . . . 14 TYR CB . 27793 1 10 . 1 1 4 4 TYR N N 15 122.864 0.05 . 1 . . . . . 14 TYR N . 27793 1 11 . 1 1 5 5 ALA H H 1 7.624 0.01 . 1 . . . . . 15 ALA H . 27793 1 12 . 1 1 5 5 ALA C C 13 175.483 0.1 . 1 . . . . . 15 ALA C . 27793 1 13 . 1 1 5 5 ALA CA C 13 52.449 0.15 . 1 . . . . . 15 ALA CA . 27793 1 14 . 1 1 5 5 ALA CB C 13 22.875 0.15 . 1 . . . . . 15 ALA CB . 27793 1 15 . 1 1 5 5 ALA N N 15 117.431 0.05 . 1 . . . . . 15 ALA N . 27793 1 16 . 1 1 6 6 ARG H H 1 8.722 0.01 . 1 . . . . . 16 ARG H . 27793 1 17 . 1 1 6 6 ARG C C 13 174.963 0.1 . 1 . . . . . 16 ARG C . 27793 1 18 . 1 1 6 6 ARG CA C 13 56.656 0.15 . 1 . . . . . 16 ARG CA . 27793 1 19 . 1 1 6 6 ARG CB C 13 32.393 0.15 . 1 . . . . . 16 ARG CB . 27793 1 20 . 1 1 6 6 ARG N N 15 121.984 0.05 . 1 . . . . . 16 ARG N . 27793 1 21 . 1 1 7 7 VAL H H 1 9.164 0.01 . 1 . . . . . 17 VAL H . 27793 1 22 . 1 1 7 7 VAL C C 13 174.363 0.1 . 1 . . . . . 17 VAL C . 27793 1 23 . 1 1 7 7 VAL CA C 13 58.932 0.15 . 1 . . . . . 17 VAL CA . 27793 1 24 . 1 1 7 7 VAL CB C 13 36.675 0.15 . 1 . . . . . 17 VAL CB . 27793 1 25 . 1 1 7 7 VAL N N 15 118.945 0.05 . 1 . . . . . 17 VAL N . 27793 1 26 . 1 1 8 8 ARG H H 1 8.837 0.01 . 1 . . . . . 18 ARG H . 27793 1 27 . 1 1 8 8 ARG C C 13 175.634 0.1 . 1 . . . . . 18 ARG C . 27793 1 28 . 1 1 8 8 ARG CA C 13 54.870 0.15 . 1 . . . . . 18 ARG CA . 27793 1 29 . 1 1 8 8 ARG CB C 13 31.550 0.15 . 1 . . . . . 18 ARG CB . 27793 1 30 . 1 1 8 8 ARG N N 15 120.977 0.05 . 1 . . . . . 18 ARG N . 27793 1 31 . 1 1 9 9 ALA H H 1 9.134 0.01 . 1 . . . . . 19 ALA H . 27793 1 32 . 1 1 9 9 ALA C C 13 175.002 0.1 . 1 . . . . . 19 ALA C . 27793 1 33 . 1 1 9 9 ALA CA C 13 51.084 0.15 . 1 . . . . . 19 ALA CA . 27793 1 34 . 1 1 9 9 ALA CB C 13 24.041 0.15 . 1 . . . . . 19 ALA CB . 27793 1 35 . 1 1 9 9 ALA N N 15 124.564 0.05 . 1 . . . . . 19 ALA N . 27793 1 36 . 1 1 10 10 VAL H H 1 8.366 0.01 . 1 . . . . . 20 VAL H . 27793 1 37 . 1 1 10 10 VAL C C 13 175.903 0.1 . 1 . . . . . 20 VAL C . 27793 1 38 . 1 1 10 10 VAL CA C 13 62.081 0.15 . 1 . . . . . 20 VAL CA . 27793 1 39 . 1 1 10 10 VAL CB C 13 33.477 0.15 . 1 . . . . . 20 VAL CB . 27793 1 40 . 1 1 10 10 VAL N N 15 120.578 0.05 . 1 . . . . . 20 VAL N . 27793 1 41 . 1 1 11 11 VAL H H 1 8.453 0.01 . 1 . . . . . 21 VAL H . 27793 1 42 . 1 1 11 11 VAL C C 13 175.365 0.1 . 1 . . . . . 21 VAL C . 27793 1 43 . 1 1 11 11 VAL CA C 13 62.807 0.15 . 1 . . . . . 21 VAL CA . 27793 1 44 . 1 1 11 11 VAL CB C 13 31.592 0.15 . 1 . . . . . 21 VAL CB . 27793 1 45 . 1 1 11 11 VAL N N 15 127.726 0.05 . 1 . . . . . 21 VAL N . 27793 1 46 . 1 1 12 12 MET H H 1 9.161 0.01 . 1 . . . . . 22 MET H . 27793 1 47 . 1 1 12 12 MET C C 13 175.298 0.1 . 1 . . . . . 22 MET C . 27793 1 48 . 1 1 12 12 MET CA C 13 53.313 0.15 . 1 . . . . . 22 MET CA . 27793 1 49 . 1 1 12 12 MET CB C 13 36.234 0.15 . 1 . . . . . 22 MET CB . 27793 1 50 . 1 1 12 12 MET N N 15 126.064 0.05 . 1 . . . . . 22 MET N . 27793 1 51 . 1 1 13 13 THR H H 1 9.553 0.01 . 1 . . . . . 23 THR H . 27793 1 52 . 1 1 13 13 THR C C 13 171.494 0.1 . 1 . . . . . 23 THR C . 27793 1 53 . 1 1 13 13 THR CA C 13 59.645 0.15 . 1 . . . . . 23 THR CA . 27793 1 54 . 1 1 13 13 THR CB C 13 71.229 0.15 . 1 . . . . . 23 THR CB . 27793 1 55 . 1 1 13 13 THR N N 15 114.567 0.05 . 1 . . . . . 23 THR N . 27793 1 56 . 1 1 14 14 ARG H H 1 7.492 0.01 . 1 . . . . . 24 ARG H . 27793 1 57 . 1 1 14 14 ARG C C 13 175.141 0.1 . 1 . . . . . 24 ARG C . 27793 1 58 . 1 1 14 14 ARG CA C 13 55.061 0.15 . 1 . . . . . 24 ARG CA . 27793 1 59 . 1 1 14 14 ARG CB C 13 30.763 0.15 . 1 . . . . . 24 ARG CB . 27793 1 60 . 1 1 14 14 ARG N N 15 125.626 0.05 . 1 . . . . . 24 ARG N . 27793 1 61 . 1 1 15 15 ASP H H 1 8.482 0.01 . 1 . . . . . 25 ASP H . 27793 1 62 . 1 1 15 15 ASP C C 13 176.191 0.1 . 1 . . . . . 25 ASP C . 27793 1 63 . 1 1 15 15 ASP CA C 13 52.853 0.15 . 1 . . . . . 25 ASP CA . 27793 1 64 . 1 1 15 15 ASP CB C 13 41.940 0.15 . 1 . . . . . 25 ASP CB . 27793 1 65 . 1 1 15 15 ASP N N 15 125.998 0.05 . 1 . . . . . 25 ASP N . 27793 1 66 . 1 1 16 16 ASP H H 1 8.673 0.01 . 1 . . . . . 26 ASP H . 27793 1 67 . 1 1 16 16 ASP C C 13 177.502 0.1 . 1 . . . . . 26 ASP C . 27793 1 68 . 1 1 16 16 ASP CA C 13 56.530 0.15 . 1 . . . . . 26 ASP CA . 27793 1 69 . 1 1 16 16 ASP CB C 13 40.969 0.15 . 1 . . . . . 26 ASP CB . 27793 1 70 . 1 1 16 16 ASP N N 15 124.771 0.05 . 1 . . . . . 26 ASP N . 27793 1 71 . 1 1 17 17 SER H H 1 8.386 0.01 . 1 . . . . . 27 SER H . 27793 1 72 . 1 1 17 17 SER C C 13 175.314 0.1 . 1 . . . . . 27 SER C . 27793 1 73 . 1 1 17 17 SER CA C 13 60.390 0.15 . 1 . . . . . 27 SER CA . 27793 1 74 . 1 1 17 17 SER CB C 13 63.012 0.15 . 1 . . . . . 27 SER CB . 27793 1 75 . 1 1 17 17 SER N N 15 114.801 0.05 . 1 . . . . . 27 SER N . 27793 1 76 . 1 1 18 18 SER H H 1 7.791 0.01 . 1 . . . . . 28 SER H . 27793 1 77 . 1 1 18 18 SER C C 13 175.775 0.1 . 1 . . . . . 28 SER C . 27793 1 78 . 1 1 18 18 SER CA C 13 58.677 0.15 . 1 . . . . . 28 SER CA . 27793 1 79 . 1 1 18 18 SER CB C 13 64.956 0.15 . 1 . . . . . 28 SER CB . 27793 1 80 . 1 1 18 18 SER N N 15 114.569 0.05 . 1 . . . . . 28 SER N . 27793 1 81 . 1 1 19 19 GLY H H 1 8.180 0.01 . 1 . . . . . 29 GLY H . 27793 1 82 . 1 1 19 19 GLY C C 13 173.916 0.1 . 1 . . . . . 29 GLY C . 27793 1 83 . 1 1 19 19 GLY CA C 13 45.636 0.15 . 1 . . . . . 29 GLY CA . 27793 1 84 . 1 1 19 19 GLY N N 15 111.605 0.05 . 1 . . . . . 29 GLY N . 27793 1 85 . 1 1 20 20 GLY H H 1 7.878 0.01 . 1 . . . . . 30 GLY H . 27793 1 86 . 1 1 20 20 GLY C C 13 172.079 0.1 . 1 . . . . . 30 GLY C . 27793 1 87 . 1 1 20 20 GLY CA C 13 44.307 0.15 . 1 . . . . . 30 GLY CA . 27793 1 88 . 1 1 20 20 GLY N N 15 107.553 0.05 . 1 . . . . . 30 GLY N . 27793 1 89 . 1 1 21 21 TRP H H 1 8.360 0.01 . 1 . . . . . 31 TRP H . 27793 1 90 . 1 1 21 21 TRP HE1 H 1 10.050 0.01 . 1 . . . . . 31 TRP HE1 . 27793 1 91 . 1 1 21 21 TRP C C 13 175.996 0.1 . 1 . . . . . 31 TRP C . 27793 1 92 . 1 1 21 21 TRP CA C 13 56.649 0.15 . 1 . . . . . 31 TRP CA . 27793 1 93 . 1 1 21 21 TRP CB C 13 30.992 0.15 . 1 . . . . . 31 TRP CB . 27793 1 94 . 1 1 21 21 TRP N N 15 120.577 0.05 . 1 . . . . . 31 TRP N . 27793 1 95 . 1 1 21 21 TRP NE1 N 15 129.538 0.05 . 1 . . . . . 31 TRP NE1 . 27793 1 96 . 1 1 22 22 LEU H H 1 9.421 0.01 . 1 . . . . . 32 LEU H . 27793 1 97 . 1 1 22 22 LEU CA C 13 52.391 0.15 . 1 . . . . . 32 LEU CA . 27793 1 98 . 1 1 22 22 LEU CB C 13 44.409 0.15 . 1 . . . . . 32 LEU CB . 27793 1 99 . 1 1 22 22 LEU N N 15 124.619 0.05 . 1 . . . . . 32 LEU N . 27793 1 100 . 1 1 23 23 PRO C C 13 177.367 0.1 . 1 . . . . . 33 PRO C . 27793 1 101 . 1 1 23 23 PRO CA C 13 63.023 0.15 . 1 . . . . . 33 PRO CA . 27793 1 102 . 1 1 23 23 PRO CB C 13 31.729 0.15 . 1 . . . . . 33 PRO CB . 27793 1 103 . 1 1 24 24 LEU H H 1 8.791 0.01 . 1 . . . . . 34 LEU H . 27793 1 104 . 1 1 24 24 LEU C C 13 177.131 0.1 . 1 . . . . . 34 LEU C . 27793 1 105 . 1 1 24 24 LEU CA C 13 55.646 0.15 . 1 . . . . . 34 LEU CA . 27793 1 106 . 1 1 24 24 LEU CB C 13 43.112 0.15 . 1 . . . . . 34 LEU CB . 27793 1 107 . 1 1 24 24 LEU N N 15 128.003 0.05 . 1 . . . . . 34 LEU N . 27793 1 108 . 1 1 25 25 GLY H H 1 9.069 0.01 . 1 . . . . . 35 GLY H . 27793 1 109 . 1 1 25 25 GLY C C 13 174.994 0.1 . 1 . . . . . 35 GLY C . 27793 1 110 . 1 1 25 25 GLY CA C 13 46.213 0.15 . 1 . . . . . 35 GLY CA . 27793 1 111 . 1 1 25 25 GLY N N 15 114.049 0.05 . 1 . . . . . 35 GLY N . 27793 1 112 . 1 1 26 26 GLY H H 1 7.858 0.01 . 1 . . . . . 36 GLY H . 27793 1 113 . 1 1 26 26 GLY C C 13 173.705 0.1 . 1 . . . . . 36 GLY C . 27793 1 114 . 1 1 26 26 GLY CA C 13 44.567 0.15 . 1 . . . . . 36 GLY CA . 27793 1 115 . 1 1 26 26 GLY N N 15 108.834 0.05 . 1 . . . . . 36 GLY N . 27793 1 116 . 1 1 27 27 SER H H 1 8.227 0.01 . 1 . . . . . 37 SER H . 27793 1 117 . 1 1 27 27 SER C C 13 174.387 0.1 . 1 . . . . . 37 SER C . 27793 1 118 . 1 1 27 27 SER CA C 13 59.106 0.15 . 1 . . . . . 37 SER CA . 27793 1 119 . 1 1 27 27 SER CB C 13 63.687 0.15 . 1 . . . . . 37 SER CB . 27793 1 120 . 1 1 27 27 SER N N 15 113.431 0.05 . 1 . . . . . 37 SER N . 27793 1 121 . 1 1 28 28 GLY H H 1 8.163 0.01 . 1 . . . . . 38 GLY H . 27793 1 122 . 1 1 28 28 GLY C C 13 173.430 0.1 . 1 . . . . . 38 GLY C . 27793 1 123 . 1 1 28 28 GLY CA C 13 44.642 0.15 . 1 . . . . . 38 GLY CA . 27793 1 124 . 1 1 28 28 GLY N N 15 109.222 0.05 . 1 . . . . . 38 GLY N . 27793 1 125 . 1 1 29 29 LEU H H 1 8.467 0.01 . 1 . . . . . 39 LEU H . 27793 1 126 . 1 1 29 29 LEU C C 13 177.406 0.1 . 1 . . . . . 39 LEU C . 27793 1 127 . 1 1 29 29 LEU CA C 13 55.660 0.15 . 1 . . . . . 39 LEU CA . 27793 1 128 . 1 1 29 29 LEU CB C 13 40.657 0.15 . 1 . . . . . 39 LEU CB . 27793 1 129 . 1 1 29 29 LEU N N 15 121.476 0.05 . 1 . . . . . 39 LEU N . 27793 1 130 . 1 1 30 30 SER H H 1 8.982 0.01 . 1 . . . . . 40 SER H . 27793 1 131 . 1 1 30 30 SER C C 13 172.913 0.1 . 1 . . . . . 40 SER C . 27793 1 132 . 1 1 30 30 SER CA C 13 59.026 0.15 . 1 . . . . . 40 SER CA . 27793 1 133 . 1 1 30 30 SER CB C 13 66.084 0.15 . 1 . . . . . 40 SER CB . 27793 1 134 . 1 1 30 30 SER N N 15 118.193 0.05 . 1 . . . . . 40 SER N . 27793 1 135 . 1 1 31 31 SER H H 1 9.153 0.01 . 1 . . . . . 41 SER H . 27793 1 136 . 1 1 31 31 SER C C 13 175.356 0.1 . 1 . . . . . 41 SER C . 27793 1 137 . 1 1 31 31 SER CA C 13 56.891 0.15 . 1 . . . . . 41 SER CA . 27793 1 138 . 1 1 31 31 SER CB C 13 63.043 0.15 . 1 . . . . . 41 SER CB . 27793 1 139 . 1 1 31 31 SER N N 15 117.019 0.05 . 1 . . . . . 41 SER N . 27793 1 140 . 1 1 32 32 VAL H H 1 9.789 0.01 . 1 . . . . . 42 VAL H . 27793 1 141 . 1 1 32 32 VAL C C 13 174.768 0.1 . 1 . . . . . 42 VAL C . 27793 1 142 . 1 1 32 32 VAL CA C 13 60.974 0.15 . 1 . . . . . 42 VAL CA . 27793 1 143 . 1 1 32 32 VAL CB C 13 32.855 0.15 . 1 . . . . . 42 VAL CB . 27793 1 144 . 1 1 32 32 VAL N N 15 132.328 0.05 . 1 . . . . . 42 VAL N . 27793 1 145 . 1 1 33 33 THR H H 1 9.302 0.01 . 1 . . . . . 43 THR H . 27793 1 146 . 1 1 33 33 THR C C 13 173.632 0.1 . 1 . . . . . 43 THR C . 27793 1 147 . 1 1 33 33 THR CA C 13 59.480 0.15 . 1 . . . . . 43 THR CA . 27793 1 148 . 1 1 33 33 THR CB C 13 72.711 0.15 . 1 . . . . . 43 THR CB . 27793 1 149 . 1 1 33 33 THR N N 15 118.933 0.05 . 1 . . . . . 43 THR N . 27793 1 150 . 1 1 34 34 VAL H H 1 8.034 0.01 . 1 . . . . . 44 VAL H . 27793 1 151 . 1 1 34 34 VAL C C 13 175.583 0.1 . 1 . . . . . 44 VAL C . 27793 1 152 . 1 1 34 34 VAL CA C 13 59.939 0.15 . 1 . . . . . 44 VAL CA . 27793 1 153 . 1 1 34 34 VAL CB C 13 33.416 0.15 . 1 . . . . . 44 VAL CB . 27793 1 154 . 1 1 34 34 VAL N N 15 122.029 0.05 . 1 . . . . . 44 VAL N . 27793 1 155 . 1 1 35 35 PHE H H 1 9.200 0.01 . 1 . . . . . 45 PHE H . 27793 1 156 . 1 1 35 35 PHE C C 13 171.324 0.1 . 1 . . . . . 45 PHE C . 27793 1 157 . 1 1 35 35 PHE CA C 13 56.543 0.15 . 1 . . . . . 45 PHE CA . 27793 1 158 . 1 1 35 35 PHE CB C 13 41.777 0.15 . 1 . . . . . 45 PHE CB . 27793 1 159 . 1 1 35 35 PHE N N 15 125.573 0.05 . 1 . . . . . 45 PHE N . 27793 1 160 . 1 1 36 36 LYS H H 1 8.520 0.01 . 1 . . . . . 46 LYS H . 27793 1 161 . 1 1 36 36 LYS C C 13 175.716 0.1 . 1 . . . . . 46 LYS C . 27793 1 162 . 1 1 36 36 LYS CA C 13 54.060 0.15 . 1 . . . . . 46 LYS CA . 27793 1 163 . 1 1 36 36 LYS CB C 13 35.570 0.15 . 1 . . . . . 46 LYS CB . 27793 1 164 . 1 1 36 36 LYS N N 15 120.504 0.05 . 1 . . . . . 46 LYS N . 27793 1 165 . 1 1 37 37 VAL H H 1 9.116 0.01 . 1 . . . . . 47 VAL H . 27793 1 166 . 1 1 37 37 VAL CA C 13 59.521 0.15 . 1 . . . . . 47 VAL CA . 27793 1 167 . 1 1 37 37 VAL CB C 13 33.396 0.15 . 1 . . . . . 47 VAL CB . 27793 1 168 . 1 1 37 37 VAL N N 15 126.118 0.05 . 1 . . . . . 47 VAL N . 27793 1 169 . 1 1 38 38 PRO C C 13 176.592 0.1 . 1 . . . . . 48 PRO C . 27793 1 170 . 1 1 38 38 PRO CA C 13 62.788 0.15 . 1 . . . . . 48 PRO CA . 27793 1 171 . 1 1 38 38 PRO CB C 13 32.371 0.15 . 1 . . . . . 48 PRO CB . 27793 1 172 . 1 1 39 39 HIS H H 1 8.544 0.01 . 1 . . . . . 49 HIS H . 27793 1 173 . 1 1 39 39 HIS C C 13 175.461 0.1 . 1 . . . . . 49 HIS C . 27793 1 174 . 1 1 39 39 HIS CA C 13 55.470 0.15 . 1 . . . . . 49 HIS CA . 27793 1 175 . 1 1 39 39 HIS CB C 13 29.727 0.15 . 1 . . . . . 49 HIS CB . 27793 1 176 . 1 1 39 39 HIS N N 15 120.325 0.05 . 1 . . . . . 49 HIS N . 27793 1 177 . 1 1 40 40 GLN H H 1 8.794 0.01 . 1 . . . . . 50 GLN H . 27793 1 178 . 1 1 40 40 GLN HE21 H 1 7.601 0.05 . 2 . . . . . 50 GLN HE21 . 27793 1 179 . 1 1 40 40 GLN HE22 H 1 6.850 0.05 . 2 . . . . . 50 GLN HE22 . 27793 1 180 . 1 1 40 40 GLN C C 13 176.236 0.1 . 1 . . . . . 50 GLN C . 27793 1 181 . 1 1 40 40 GLN CA C 13 57.501 0.15 . 1 . . . . . 50 GLN CA . 27793 1 182 . 1 1 40 40 GLN CB C 13 29.337 0.15 . 1 . . . . . 50 GLN CB . 27793 1 183 . 1 1 40 40 GLN CD C 13 180.407 0.2 . 1 . . . . . 50 GLN CD . 27793 1 184 . 1 1 40 40 GLN N N 15 121.811 0.05 . 1 . . . . . 50 GLN N . 27793 1 185 . 1 1 40 40 GLN NE2 N 15 112.285 0.05 . 1 . . . . . 50 GLN NE2 . 27793 1 186 . 1 1 41 41 GLU H H 1 8.859 0.01 . 1 . . . . . 51 GLU H . 27793 1 187 . 1 1 41 41 GLU C C 13 176.881 0.1 . 1 . . . . . 51 GLU C . 27793 1 188 . 1 1 41 41 GLU CA C 13 57.137 0.15 . 1 . . . . . 51 GLU CA . 27793 1 189 . 1 1 41 41 GLU CB C 13 29.671 0.15 . 1 . . . . . 51 GLU CB . 27793 1 190 . 1 1 41 41 GLU N N 15 119.628 0.05 . 1 . . . . . 51 GLU N . 27793 1 191 . 1 1 42 42 GLU H H 1 8.423 0.01 . 1 . . . . . 52 GLU H . 27793 1 192 . 1 1 42 42 GLU C C 13 176.264 0.1 . 1 . . . . . 52 GLU C . 27793 1 193 . 1 1 42 42 GLU CA C 13 57.270 0.15 . 1 . . . . . 52 GLU CA . 27793 1 194 . 1 1 42 42 GLU CB C 13 29.680 0.15 . 1 . . . . . 52 GLU CB . 27793 1 195 . 1 1 42 42 GLU N N 15 120.908 0.05 . 1 . . . . . 52 GLU N . 27793 1 196 . 1 1 43 43 ASN H H 1 8.441 0.01 . 1 . . . . . 53 ASN H . 27793 1 197 . 1 1 43 43 ASN HD21 H 1 7.666 0.05 . 2 . . . . . 53 ASN HD21 . 27793 1 198 . 1 1 43 43 ASN HD22 H 1 7.011 0.05 . 2 . . . . . 53 ASN HD22 . 27793 1 199 . 1 1 43 43 ASN C C 13 175.797 0.1 . 1 . . . . . 53 ASN C . 27793 1 200 . 1 1 43 43 ASN CA C 13 53.418 0.15 . 1 . . . . . 53 ASN CA . 27793 1 201 . 1 1 43 43 ASN CB C 13 38.516 0.15 . 1 . . . . . 53 ASN CB . 27793 1 202 . 1 1 43 43 ASN CG C 13 177.444 0.2 . 1 . . . . . 53 ASN CG . 27793 1 203 . 1 1 43 43 ASN N N 15 117.634 0.05 . 1 . . . . . 53 ASN N . 27793 1 204 . 1 1 43 43 ASN ND2 N 15 112.851 0.05 . 1 . . . . . 53 ASN ND2 . 27793 1 205 . 1 1 44 44 GLY H H 1 8.176 0.01 . 1 . . . . . 54 GLY H . 27793 1 206 . 1 1 44 44 GLY C C 13 174.024 0.1 . 1 . . . . . 54 GLY C . 27793 1 207 . 1 1 44 44 GLY CA C 13 45.272 0.15 . 1 . . . . . 54 GLY CA . 27793 1 208 . 1 1 44 44 GLY N N 15 108.075 0.05 . 1 . . . . . 54 GLY N . 27793 1 209 . 1 1 45 45 CYS H H 1 8.206 0.01 . 1 . . . . . 55 CYS H . 27793 1 210 . 1 1 45 45 CYS C C 13 173.760 0.1 . 1 . . . . . 55 CYS C . 27793 1 211 . 1 1 45 45 CYS CA C 13 58.828 0.15 . 1 . . . . . 55 CYS CA . 27793 1 212 . 1 1 45 45 CYS CB C 13 28.473 0.15 . 1 . . . . . 55 CYS CB . 27793 1 213 . 1 1 45 45 CYS N N 15 119.301 0.05 . 1 . . . . . 55 CYS N . 27793 1 214 . 1 1 46 46 ALA H H 1 8.411 0.01 . 1 . . . . . 56 ALA H . 27793 1 215 . 1 1 46 46 ALA C C 13 175.025 0.1 . 1 . . . . . 56 ALA C . 27793 1 216 . 1 1 46 46 ALA CA C 13 51.784 0.15 . 1 . . . . . 56 ALA CA . 27793 1 217 . 1 1 46 46 ALA CB C 13 22.038 0.15 . 1 . . . . . 56 ALA CB . 27793 1 218 . 1 1 46 46 ALA N N 15 125.753 0.05 . 1 . . . . . 56 ALA N . 27793 1 219 . 1 1 47 47 ASP H H 1 7.943 0.01 . 1 . . . . . 57 ASP H . 27793 1 220 . 1 1 47 47 ASP C C 13 173.919 0.1 . 1 . . . . . 57 ASP C . 27793 1 221 . 1 1 47 47 ASP CA C 13 53.235 0.15 . 1 . . . . . 57 ASP CA . 27793 1 222 . 1 1 47 47 ASP CB C 13 44.667 0.15 . 1 . . . . . 57 ASP CB . 27793 1 223 . 1 1 47 47 ASP N N 15 117.985 0.05 . 1 . . . . . 57 ASP N . 27793 1 224 . 1 1 48 48 PHE H H 1 8.925 0.01 . 1 . . . . . 58 PHE H . 27793 1 225 . 1 1 48 48 PHE C C 13 174.505 0.1 . 1 . . . . . 58 PHE C . 27793 1 226 . 1 1 48 48 PHE CA C 13 56.804 0.15 . 1 . . . . . 58 PHE CA . 27793 1 227 . 1 1 48 48 PHE CB C 13 42.917 0.15 . 1 . . . . . 58 PHE CB . 27793 1 228 . 1 1 48 48 PHE N N 15 119.466 0.05 . 1 . . . . . 58 PHE N . 27793 1 229 . 1 1 49 49 PHE H H 1 8.660 0.01 . 1 . . . . . 59 PHE H . 27793 1 230 . 1 1 49 49 PHE C C 13 174.691 0.1 . 1 . . . . . 59 PHE C . 27793 1 231 . 1 1 49 49 PHE CA C 13 56.455 0.15 . 1 . . . . . 59 PHE CA . 27793 1 232 . 1 1 49 49 PHE CB C 13 44.567 0.15 . 1 . . . . . 59 PHE CB . 27793 1 233 . 1 1 49 49 PHE N N 15 118.181 0.05 . 1 . . . . . 59 PHE N . 27793 1 234 . 1 1 50 50 ILE H H 1 8.610 0.01 . 1 . . . . . 60 ILE H . 27793 1 235 . 1 1 50 50 ILE C C 13 175.154 0.1 . 1 . . . . . 60 ILE C . 27793 1 236 . 1 1 50 50 ILE CA C 13 60.641 0.15 . 1 . . . . . 60 ILE CA . 27793 1 237 . 1 1 50 50 ILE CB C 13 40.430 0.15 . 1 . . . . . 60 ILE CB . 27793 1 238 . 1 1 50 50 ILE N N 15 117.532 0.05 . 1 . . . . . 60 ILE N . 27793 1 239 . 1 1 51 51 ARG H H 1 9.146 0.01 . 1 . . . . . 61 ARG H . 27793 1 240 . 1 1 51 51 ARG C C 13 174.838 0.1 . 1 . . . . . 61 ARG C . 27793 1 241 . 1 1 51 51 ARG CA C 13 54.418 0.15 . 1 . . . . . 61 ARG CA . 27793 1 242 . 1 1 51 51 ARG CB C 13 36.011 0.15 . 1 . . . . . 61 ARG CB . 27793 1 243 . 1 1 51 51 ARG N N 15 126.828 0.05 . 1 . . . . . 61 ARG N . 27793 1 244 . 1 1 52 52 GLY H H 1 9.909 0.01 . 1 . . . . . 62 GLY H . 27793 1 245 . 1 1 52 52 GLY C C 13 171.599 0.1 . 1 . . . . . 62 GLY C . 27793 1 246 . 1 1 52 52 GLY CA C 13 45.020 0.15 . 1 . . . . . 62 GLY CA . 27793 1 247 . 1 1 52 52 GLY N N 15 113.331 0.05 . 1 . . . . . 62 GLY N . 27793 1 248 . 1 1 53 53 GLU H H 1 9.044 0.01 . 1 . . . . . 63 GLU H . 27793 1 249 . 1 1 53 53 GLU C C 13 174.881 0.1 . 1 . . . . . 63 GLU C . 27793 1 250 . 1 1 53 53 GLU CA C 13 53.785 0.15 . 1 . . . . . 63 GLU CA . 27793 1 251 . 1 1 53 53 GLU CB C 13 33.375 0.15 . 1 . . . . . 63 GLU CB . 27793 1 252 . 1 1 53 53 GLU N N 15 125.939 0.05 . 1 . . . . . 63 GLU N . 27793 1 253 . 1 1 54 54 ARG H H 1 9.459 0.01 . 1 . . . . . 64 ARG H . 27793 1 254 . 1 1 54 54 ARG C C 13 178.060 0.1 . 1 . . . . . 64 ARG C . 27793 1 255 . 1 1 54 54 ARG CA C 13 57.840 0.15 . 1 . . . . . 64 ARG CA . 27793 1 256 . 1 1 54 54 ARG CB C 13 31.785 0.15 . 1 . . . . . 64 ARG CB . 27793 1 257 . 1 1 54 54 ARG N N 15 129.130 0.05 . 1 . . . . . 64 ARG N . 27793 1 258 . 1 1 55 55 LEU H H 1 8.654 0.01 . 1 . . . . . 65 LEU H . 27793 1 259 . 1 1 55 55 LEU C C 13 180.326 0.1 . 1 . . . . . 65 LEU C . 27793 1 260 . 1 1 55 55 LEU CA C 13 58.044 0.15 . 1 . . . . . 65 LEU CA . 27793 1 261 . 1 1 55 55 LEU CB C 13 41.394 0.15 . 1 . . . . . 65 LEU CB . 27793 1 262 . 1 1 55 55 LEU N N 15 125.917 0.05 . 1 . . . . . 65 LEU N . 27793 1 263 . 1 1 56 56 ARG H H 1 8.465 0.01 . 1 . . . . . 66 ARG H . 27793 1 264 . 1 1 56 56 ARG C C 13 176.807 0.1 . 1 . . . . . 66 ARG C . 27793 1 265 . 1 1 56 56 ARG CA C 13 59.073 0.15 . 1 . . . . . 66 ARG CA . 27793 1 266 . 1 1 56 56 ARG CB C 13 30.150 0.15 . 1 . . . . . 66 ARG CB . 27793 1 267 . 1 1 56 56 ARG N N 15 115.540 0.05 . 1 . . . . . 66 ARG N . 27793 1 268 . 1 1 57 57 ASP H H 1 7.407 0.01 . 1 . . . . . 67 ASP H . 27793 1 269 . 1 1 57 57 ASP C C 13 175.713 0.1 . 1 . . . . . 67 ASP C . 27793 1 270 . 1 1 57 57 ASP CA C 13 52.565 0.15 . 1 . . . . . 67 ASP CA . 27793 1 271 . 1 1 57 57 ASP CB C 13 41.413 0.15 . 1 . . . . . 67 ASP CB . 27793 1 272 . 1 1 57 57 ASP N N 15 113.517 0.05 . 1 . . . . . 67 ASP N . 27793 1 273 . 1 1 58 58 LYS H H 1 8.126 0.01 . 1 . . . . . 68 LYS H . 27793 1 274 . 1 1 58 58 LYS C C 13 175.126 0.1 . 1 . . . . . 68 LYS C . 27793 1 275 . 1 1 58 58 LYS CA C 13 57.926 0.15 . 1 . . . . . 68 LYS CA . 27793 1 276 . 1 1 58 58 LYS CB C 13 29.684 0.15 . 1 . . . . . 68 LYS CB . 27793 1 277 . 1 1 58 58 LYS N N 15 115.570 0.05 . 1 . . . . . 68 LYS N . 27793 1 278 . 1 1 59 59 MET H H 1 7.476 0.01 . 1 . . . . . 69 MET H . 27793 1 279 . 1 1 59 59 MET C C 13 176.757 0.1 . 1 . . . . . 69 MET C . 27793 1 280 . 1 1 59 59 MET CA C 13 55.873 0.15 . 1 . . . . . 69 MET CA . 27793 1 281 . 1 1 59 59 MET CB C 13 33.196 0.15 . 1 . . . . . 69 MET CB . 27793 1 282 . 1 1 59 59 MET N N 15 118.526 0.05 . 1 . . . . . 69 MET N . 27793 1 283 . 1 1 60 60 VAL H H 1 8.918 0.01 . 1 . . . . . 70 VAL H . 27793 1 284 . 1 1 60 60 VAL C C 13 176.442 0.1 . 1 . . . . . 70 VAL C . 27793 1 285 . 1 1 60 60 VAL CA C 13 64.033 0.15 . 1 . . . . . 70 VAL CA . 27793 1 286 . 1 1 60 60 VAL CB C 13 30.885 0.15 . 1 . . . . . 70 VAL CB . 27793 1 287 . 1 1 60 60 VAL N N 15 127.896 0.05 . 1 . . . . . 70 VAL N . 27793 1 288 . 1 1 61 61 VAL H H 1 8.235 0.01 . 1 . . . . . 71 VAL H . 27793 1 289 . 1 1 61 61 VAL C C 13 174.362 0.1 . 1 . . . . . 71 VAL C . 27793 1 290 . 1 1 61 61 VAL CA C 13 61.001 0.15 . 1 . . . . . 71 VAL CA . 27793 1 291 . 1 1 61 61 VAL CB C 13 33.187 0.15 . 1 . . . . . 71 VAL CB . 27793 1 292 . 1 1 61 61 VAL N N 15 122.468 0.05 . 1 . . . . . 71 VAL N . 27793 1 293 . 1 1 62 62 LEU H H 1 7.553 0.01 . 1 . . . . . 72 LEU H . 27793 1 294 . 1 1 62 62 LEU C C 13 174.336 0.1 . 1 . . . . . 72 LEU C . 27793 1 295 . 1 1 62 62 LEU CA C 13 54.590 0.15 . 1 . . . . . 72 LEU CA . 27793 1 296 . 1 1 62 62 LEU CB C 13 46.585 0.15 . 1 . . . . . 72 LEU CB . 27793 1 297 . 1 1 62 62 LEU N N 15 121.388 0.05 . 1 . . . . . 72 LEU N . 27793 1 298 . 1 1 63 63 GLU H H 1 8.817 0.01 . 1 . . . . . 73 GLU H . 27793 1 299 . 1 1 63 63 GLU C C 13 174.541 0.1 . 1 . . . . . 73 GLU C . 27793 1 300 . 1 1 63 63 GLU CA C 13 57.279 0.15 . 1 . . . . . 73 GLU CA . 27793 1 301 . 1 1 63 63 GLU CB C 13 32.255 0.15 . 1 . . . . . 73 GLU CB . 27793 1 302 . 1 1 63 63 GLU N N 15 127.740 0.05 . 1 . . . . . 73 GLU N . 27793 1 303 . 1 1 64 64 CYS H H 1 9.168 0.01 . 1 . . . . . 74 CYS H . 27793 1 304 . 1 1 64 64 CYS C C 13 172.303 0.1 . 1 . . . . . 74 CYS C . 27793 1 305 . 1 1 64 64 CYS CA C 13 56.058 0.15 . 1 . . . . . 74 CYS CA . 27793 1 306 . 1 1 64 64 CYS CB C 13 31.267 0.15 . 1 . . . . . 74 CYS CB . 27793 1 307 . 1 1 64 64 CYS N N 15 122.205 0.05 . 1 . . . . . 74 CYS N . 27793 1 308 . 1 1 65 65 MET H H 1 8.957 0.01 . 1 . . . . . 75 MET H . 27793 1 309 . 1 1 65 65 MET C C 13 175.344 0.1 . 1 . . . . . 75 MET C . 27793 1 310 . 1 1 65 65 MET CA C 13 55.721 0.15 . 1 . . . . . 75 MET CA . 27793 1 311 . 1 1 65 65 MET CB C 13 33.814 0.15 . 1 . . . . . 75 MET CB . 27793 1 312 . 1 1 65 65 MET N N 15 125.715 0.05 . 1 . . . . . 75 MET N . 27793 1 313 . 1 1 66 66 LEU H H 1 8.306 0.01 . 1 . . . . . 76 LEU H . 27793 1 314 . 1 1 66 66 LEU C C 13 174.634 0.1 . 1 . . . . . 76 LEU C . 27793 1 315 . 1 1 66 66 LEU CA C 13 55.134 0.15 . 1 . . . . . 76 LEU CA . 27793 1 316 . 1 1 66 66 LEU CB C 13 43.149 0.15 . 1 . . . . . 76 LEU CB . 27793 1 317 . 1 1 66 66 LEU N N 15 124.997 0.05 . 1 . . . . . 76 LEU N . 27793 1 318 . 1 1 67 67 LYS H H 1 6.739 0.01 . 1 . . . . . 77 LYS H . 27793 1 319 . 1 1 67 67 LYS C C 13 176.123 0.1 . 1 . . . . . 77 LYS C . 27793 1 320 . 1 1 67 67 LYS CA C 13 54.199 0.15 . 1 . . . . . 77 LYS CA . 27793 1 321 . 1 1 67 67 LYS CB C 13 36.703 0.15 . 1 . . . . . 77 LYS CB . 27793 1 322 . 1 1 67 67 LYS N N 15 118.392 0.05 . 1 . . . . . 77 LYS N . 27793 1 323 . 1 1 68 68 LYS H H 1 8.770 0.01 . 1 . . . . . 78 LYS H . 27793 1 324 . 1 1 68 68 LYS C C 13 175.614 0.1 . 1 . . . . . 78 LYS C . 27793 1 325 . 1 1 68 68 LYS CA C 13 58.644 0.15 . 1 . . . . . 78 LYS CA . 27793 1 326 . 1 1 68 68 LYS CB C 13 32.409 0.15 . 1 . . . . . 78 LYS CB . 27793 1 327 . 1 1 68 68 LYS N N 15 117.451 0.05 . 1 . . . . . 78 LYS N . 27793 1 328 . 1 1 69 69 ASP H H 1 7.991 0.01 . 1 . . . . . 79 ASP H . 27793 1 329 . 1 1 69 69 ASP C C 13 175.285 0.1 . 1 . . . . . 79 ASP C . 27793 1 330 . 1 1 69 69 ASP CA C 13 53.061 0.15 . 1 . . . . . 79 ASP CA . 27793 1 331 . 1 1 69 69 ASP CB C 13 39.587 0.15 . 1 . . . . . 79 ASP CB . 27793 1 332 . 1 1 69 69 ASP N N 15 115.697 0.05 . 1 . . . . . 79 ASP N . 27793 1 333 . 1 1 70 70 LEU H H 1 7.155 0.01 . 1 . . . . . 80 LEU H . 27793 1 334 . 1 1 70 70 LEU C C 13 175.817 0.1 . 1 . . . . . 80 LEU C . 27793 1 335 . 1 1 70 70 LEU CA C 13 56.689 0.15 . 1 . . . . . 80 LEU CA . 27793 1 336 . 1 1 70 70 LEU CB C 13 43.394 0.15 . 1 . . . . . 80 LEU CB . 27793 1 337 . 1 1 70 70 LEU N N 15 121.246 0.05 . 1 . . . . . 80 LEU N . 27793 1 338 . 1 1 71 71 ILE H H 1 8.433 0.01 . 1 . . . . . 81 ILE H . 27793 1 339 . 1 1 71 71 ILE C C 13 174.065 0.1 . 1 . . . . . 81 ILE C . 27793 1 340 . 1 1 71 71 ILE CA C 13 60.640 0.15 . 1 . . . . . 81 ILE CA . 27793 1 341 . 1 1 71 71 ILE CB C 13 38.963 0.15 . 1 . . . . . 81 ILE CB . 27793 1 342 . 1 1 71 71 ILE N N 15 127.573 0.05 . 1 . . . . . 81 ILE N . 27793 1 343 . 1 1 72 72 TYR H H 1 8.859 0.01 . 1 . . . . . 82 TYR H . 27793 1 344 . 1 1 72 72 TYR C C 13 174.285 0.1 . 1 . . . . . 82 TYR C . 27793 1 345 . 1 1 72 72 TYR CA C 13 57.692 0.15 . 1 . . . . . 82 TYR CA . 27793 1 346 . 1 1 72 72 TYR CB C 13 41.638 0.15 . 1 . . . . . 82 TYR CB . 27793 1 347 . 1 1 72 72 TYR N N 15 131.587 0.05 . 1 . . . . . 82 TYR N . 27793 1 348 . 1 1 73 73 ASN H H 1 9.015 0.01 . 1 . . . . . 83 ASN H . 27793 1 349 . 1 1 73 73 ASN HD21 H 1 6.834 0.05 . 2 . . . . . 83 ASN HD21 . 27793 1 350 . 1 1 73 73 ASN HD22 H 1 6.777 0.05 . 2 . . . . . 83 ASN HD22 . 27793 1 351 . 1 1 73 73 ASN C C 13 173.149 0.1 . 1 . . . . . 83 ASN C . 27793 1 352 . 1 1 73 73 ASN CA C 13 52.645 0.15 . 1 . . . . . 83 ASN CA . 27793 1 353 . 1 1 73 73 ASN CB C 13 41.017 0.15 . 1 . . . . . 83 ASN CB . 27793 1 354 . 1 1 73 73 ASN CG C 13 176.374 0.2 . 1 . . . . . 83 ASN CG . 27793 1 355 . 1 1 73 73 ASN N N 15 126.417 0.05 . 1 . . . . . 83 ASN N . 27793 1 356 . 1 1 73 73 ASN ND2 N 15 114.247 0.05 . 1 . . . . . 83 ASN ND2 . 27793 1 357 . 1 1 74 74 LYS H H 1 8.634 0.01 . 1 . . . . . 84 LYS H . 27793 1 358 . 1 1 74 74 LYS C C 13 175.568 0.1 . 1 . . . . . 84 LYS C . 27793 1 359 . 1 1 74 74 LYS CA C 13 55.874 0.15 . 1 . . . . . 84 LYS CA . 27793 1 360 . 1 1 74 74 LYS CB C 13 30.472 0.15 . 1 . . . . . 84 LYS CB . 27793 1 361 . 1 1 74 74 LYS N N 15 124.641 0.05 . 1 . . . . . 84 LYS N . 27793 1 362 . 1 1 75 75 VAL H H 1 7.792 0.01 . 1 . . . . . 85 VAL H . 27793 1 363 . 1 1 75 75 VAL C C 13 176.693 0.1 . 1 . . . . . 85 VAL C . 27793 1 364 . 1 1 75 75 VAL CA C 13 65.487 0.15 . 1 . . . . . 85 VAL CA . 27793 1 365 . 1 1 75 75 VAL CB C 13 32.894 0.15 . 1 . . . . . 85 VAL CB . 27793 1 366 . 1 1 75 75 VAL N N 15 124.772 0.05 . 1 . . . . . 85 VAL N . 27793 1 367 . 1 1 76 76 THR H H 1 8.585 0.01 . 1 . . . . . 86 THR H . 27793 1 368 . 1 1 76 76 THR CA C 13 58.897 0.15 . 1 . . . . . 86 THR CA . 27793 1 369 . 1 1 76 76 THR CB C 13 69.238 0.15 . 1 . . . . . 86 THR CB . 27793 1 370 . 1 1 76 76 THR N N 15 111.464 0.05 . 1 . . . . . 86 THR N . 27793 1 371 . 1 1 77 77 PRO C C 13 176.886 0.1 . 1 . . . . . 87 PRO C . 27793 1 372 . 1 1 77 77 PRO CA C 13 64.689 0.15 . 1 . . . . . 87 PRO CA . 27793 1 373 . 1 1 77 77 PRO CB C 13 32.643 0.15 . 1 . . . . . 87 PRO CB . 27793 1 374 . 1 1 78 78 THR H H 1 7.815 0.01 . 1 . . . . . 88 THR H . 27793 1 375 . 1 1 78 78 THR C C 13 172.992 0.1 . 1 . . . . . 88 THR C . 27793 1 376 . 1 1 78 78 THR CA C 13 60.241 0.15 . 1 . . . . . 88 THR CA . 27793 1 377 . 1 1 78 78 THR CB C 13 69.450 0.15 . 1 . . . . . 88 THR CB . 27793 1 378 . 1 1 78 78 THR N N 15 99.244 0.05 . 1 . . . . . 88 THR N . 27793 1 379 . 1 1 79 79 PHE H H 1 7.877 0.01 . 1 . . . . . 89 PHE H . 27793 1 380 . 1 1 79 79 PHE C C 13 173.508 0.1 . 1 . . . . . 89 PHE C . 27793 1 381 . 1 1 79 79 PHE CA C 13 57.323 0.15 . 1 . . . . . 89 PHE CA . 27793 1 382 . 1 1 79 79 PHE CB C 13 40.849 0.15 . 1 . . . . . 89 PHE CB . 27793 1 383 . 1 1 79 79 PHE N N 15 124.721 0.05 . 1 . . . . . 89 PHE N . 27793 1 384 . 1 1 80 80 HIS H H 1 7.909 0.01 . 1 . . . . . 90 HIS H . 27793 1 385 . 1 1 80 80 HIS C C 13 173.140 0.1 . 1 . . . . . 90 HIS C . 27793 1 386 . 1 1 80 80 HIS CA C 13 51.363 0.15 . 1 . . . . . 90 HIS CA . 27793 1 387 . 1 1 80 80 HIS CB C 13 36.416 0.15 . 1 . . . . . 90 HIS CB . 27793 1 388 . 1 1 80 80 HIS N N 15 126.706 0.05 . 1 . . . . . 90 HIS N . 27793 1 389 . 1 1 81 81 HIS H H 1 8.668 0.01 . 1 . . . . . 91 HIS H . 27793 1 390 . 1 1 81 81 HIS C C 13 172.572 0.1 . 1 . . . . . 91 HIS C . 27793 1 391 . 1 1 81 81 HIS CA C 13 55.129 0.15 . 1 . . . . . 91 HIS CA . 27793 1 392 . 1 1 81 81 HIS CB C 13 34.924 0.15 . 1 . . . . . 91 HIS CB . 27793 1 393 . 1 1 81 81 HIS N N 15 115.489 0.05 . 1 . . . . . 91 HIS N . 27793 1 394 . 1 1 82 82 TRP H H 1 9.409 0.01 . 1 . . . . . 92 TRP H . 27793 1 395 . 1 1 82 82 TRP HE1 H 1 10.074 0.01 . 1 . . . . . 92 TRP HE1 . 27793 1 396 . 1 1 82 82 TRP C C 13 174.576 0.1 . 1 . . . . . 92 TRP C . 27793 1 397 . 1 1 82 82 TRP CA C 13 56.972 0.15 . 1 . . . . . 92 TRP CA . 27793 1 398 . 1 1 82 82 TRP CB C 13 33.104 0.15 . 1 . . . . . 92 TRP CB . 27793 1 399 . 1 1 82 82 TRP N N 15 117.673 0.05 . 1 . . . . . 92 TRP N . 27793 1 400 . 1 1 82 82 TRP NE1 N 15 129.538 0.05 . 1 . . . . . 92 TRP NE1 . 27793 1 401 . 1 1 83 83 LYS H H 1 8.943 0.01 . 1 . . . . . 93 LYS H . 27793 1 402 . 1 1 83 83 LYS C C 13 175.868 0.1 . 1 . . . . . 93 LYS C . 27793 1 403 . 1 1 83 83 LYS CA C 13 54.988 0.15 . 1 . . . . . 93 LYS CA . 27793 1 404 . 1 1 83 83 LYS CB C 13 36.548 0.15 . 1 . . . . . 93 LYS CB . 27793 1 405 . 1 1 83 83 LYS N N 15 122.144 0.05 . 1 . . . . . 93 LYS N . 27793 1 406 . 1 1 84 84 ILE H H 1 8.858 0.01 . 1 . . . . . 94 ILE H . 27793 1 407 . 1 1 84 84 ILE C C 13 174.989 0.1 . 1 . . . . . 94 ILE C . 27793 1 408 . 1 1 84 84 ILE CA C 13 59.823 0.15 . 1 . . . . . 94 ILE CA . 27793 1 409 . 1 1 84 84 ILE CB C 13 40.616 0.15 . 1 . . . . . 94 ILE CB . 27793 1 410 . 1 1 84 84 ILE N N 15 125.980 0.05 . 1 . . . . . 94 ILE N . 27793 1 411 . 1 1 85 85 ASP H H 1 9.360 0.01 . 1 . . . . . 95 ASP H . 27793 1 412 . 1 1 85 85 ASP C C 13 174.760 0.1 . 1 . . . . . 95 ASP C . 27793 1 413 . 1 1 85 85 ASP CA C 13 56.782 0.15 . 1 . . . . . 95 ASP CA . 27793 1 414 . 1 1 85 85 ASP CB C 13 39.406 0.15 . 1 . . . . . 95 ASP CB . 27793 1 415 . 1 1 85 85 ASP N N 15 128.129 0.05 . 1 . . . . . 95 ASP N . 27793 1 416 . 1 1 86 86 ASP H H 1 8.729 0.01 . 1 . . . . . 96 ASP H . 27793 1 417 . 1 1 86 86 ASP C C 13 175.628 0.1 . 1 . . . . . 96 ASP C . 27793 1 418 . 1 1 86 86 ASP CA C 13 54.617 0.15 . 1 . . . . . 96 ASP CA . 27793 1 419 . 1 1 86 86 ASP CB C 13 40.446 0.15 . 1 . . . . . 96 ASP CB . 27793 1 420 . 1 1 86 86 ASP N N 15 118.389 0.05 . 1 . . . . . 96 ASP N . 27793 1 421 . 1 1 87 87 LYS H H 1 8.457 0.01 . 1 . . . . . 97 LYS H . 27793 1 422 . 1 1 87 87 LYS C C 13 174.913 0.1 . 1 . . . . . 97 LYS C . 27793 1 423 . 1 1 87 87 LYS CA C 13 55.571 0.15 . 1 . . . . . 97 LYS CA . 27793 1 424 . 1 1 87 87 LYS CB C 13 34.416 0.15 . 1 . . . . . 97 LYS CB . 27793 1 425 . 1 1 87 87 LYS N N 15 121.738 0.05 . 1 . . . . . 97 LYS N . 27793 1 426 . 1 1 88 88 LYS H H 1 7.973 0.01 . 1 . . . . . 98 LYS H . 27793 1 427 . 1 1 88 88 LYS C C 13 174.956 0.1 . 1 . . . . . 98 LYS C . 27793 1 428 . 1 1 88 88 LYS CA C 13 55.433 0.15 . 1 . . . . . 98 LYS CA . 27793 1 429 . 1 1 88 88 LYS CB C 13 34.538 0.15 . 1 . . . . . 98 LYS CB . 27793 1 430 . 1 1 88 88 LYS N N 15 121.107 0.05 . 1 . . . . . 98 LYS N . 27793 1 431 . 1 1 89 89 PHE H H 1 8.025 0.01 . 1 . . . . . 99 PHE H . 27793 1 432 . 1 1 89 89 PHE C C 13 172.769 0.1 . 1 . . . . . 99 PHE C . 27793 1 433 . 1 1 89 89 PHE CA C 13 56.066 0.15 . 1 . . . . . 99 PHE CA . 27793 1 434 . 1 1 89 89 PHE CB C 13 43.689 0.15 . 1 . . . . . 99 PHE CB . 27793 1 435 . 1 1 89 89 PHE N N 15 120.168 0.05 . 1 . . . . . 99 PHE N . 27793 1 436 . 1 1 90 90 GLY H H 1 8.330 0.01 . 1 . . . . . 100 GLY H . 27793 1 437 . 1 1 90 90 GLY C C 13 171.002 0.1 . 1 . . . . . 100 GLY C . 27793 1 438 . 1 1 90 90 GLY CA C 13 44.288 0.15 . 1 . . . . . 100 GLY CA . 27793 1 439 . 1 1 90 90 GLY N N 15 104.976 0.05 . 1 . . . . . 100 GLY N . 27793 1 440 . 1 1 91 91 LEU H H 1 8.473 0.01 . 1 . . . . . 101 LEU H . 27793 1 441 . 1 1 91 91 LEU C C 13 173.643 0.1 . 1 . . . . . 101 LEU C . 27793 1 442 . 1 1 91 91 LEU CA C 13 53.045 0.15 . 1 . . . . . 101 LEU CA . 27793 1 443 . 1 1 91 91 LEU CB C 13 45.551 0.15 . 1 . . . . . 101 LEU CB . 27793 1 444 . 1 1 91 91 LEU N N 15 118.977 0.05 . 1 . . . . . 101 LEU N . 27793 1 445 . 1 1 92 92 ARG H H 1 8.468 0.01 . 1 . . . . . 102 ARG H . 27793 1 446 . 1 1 92 92 ARG C C 13 176.718 0.1 . 1 . . . . . 102 ARG C . 27793 1 447 . 1 1 92 92 ARG CA C 13 53.785 0.15 . 1 . . . . . 102 ARG CA . 27793 1 448 . 1 1 92 92 ARG CB C 13 31.208 0.15 . 1 . . . . . 102 ARG CB . 27793 1 449 . 1 1 92 92 ARG N N 15 120.908 0.05 . 1 . . . . . 102 ARG N . 27793 1 450 . 1 1 93 93 PHE H H 1 8.935 0.01 . 1 . . . . . 103 PHE H . 27793 1 451 . 1 1 93 93 PHE C C 13 175.765 0.1 . 1 . . . . . 103 PHE C . 27793 1 452 . 1 1 93 93 PHE CA C 13 58.100 0.15 . 1 . . . . . 103 PHE CA . 27793 1 453 . 1 1 93 93 PHE CB C 13 41.683 0.15 . 1 . . . . . 103 PHE CB . 27793 1 454 . 1 1 93 93 PHE N N 15 125.685 0.05 . 1 . . . . . 103 PHE N . 27793 1 455 . 1 1 94 94 GLN H H 1 10.274 0.01 . 1 . . . . . 104 GLN H . 27793 1 456 . 1 1 94 94 GLN HE21 H 1 7.523 0.05 . 2 . . . . . 104 GLN HE21 . 27793 1 457 . 1 1 94 94 GLN HE22 H 1 7.015 0.05 . 2 . . . . . 104 GLN HE22 . 27793 1 458 . 1 1 94 94 GLN C C 13 175.786 0.1 . 1 . . . . . 104 GLN C . 27793 1 459 . 1 1 94 94 GLN CA C 13 57.826 0.15 . 1 . . . . . 104 GLN CA . 27793 1 460 . 1 1 94 94 GLN CB C 13 30.206 0.15 . 1 . . . . . 104 GLN CB . 27793 1 461 . 1 1 94 94 GLN CD C 13 180.113 0.2 . 1 . . . . . 104 GLN CD . 27793 1 462 . 1 1 94 94 GLN N N 15 118.698 0.05 . 1 . . . . . 104 GLN N . 27793 1 463 . 1 1 94 94 GLN NE2 N 15 112.500 0.05 . 1 . . . . . 104 GLN NE2 . 27793 1 464 . 1 1 95 95 SER H H 1 7.476 0.01 . 1 . . . . . 105 SER H . 27793 1 465 . 1 1 95 95 SER CA C 13 55.312 0.15 . 1 . . . . . 105 SER CA . 27793 1 466 . 1 1 95 95 SER CB C 13 65.055 0.15 . 1 . . . . . 105 SER CB . 27793 1 467 . 1 1 95 95 SER N N 15 108.710 0.05 . 1 . . . . . 105 SER N . 27793 1 468 . 1 1 96 96 PRO C C 13 178.877 0.1 . 1 . . . . . 106 PRO C . 27793 1 469 . 1 1 96 96 PRO CA C 13 64.235 0.15 . 1 . . . . . 106 PRO CA . 27793 1 470 . 1 1 96 96 PRO CB C 13 32.079 0.5 . 1 . . . . . 106 PRO CB . 27793 1 471 . 1 1 97 97 ALA H H 1 8.080 0.01 . 1 . . . . . 107 ALA H . 27793 1 472 . 1 1 97 97 ALA C C 13 180.636 0.1 . 1 . . . . . 107 ALA C . 27793 1 473 . 1 1 97 97 ALA CA C 13 55.515 0.15 . 1 . . . . . 107 ALA CA . 27793 1 474 . 1 1 97 97 ALA CB C 13 18.304 0.15 . 1 . . . . . 107 ALA CB . 27793 1 475 . 1 1 97 97 ALA N N 15 120.738 0.05 . 1 . . . . . 107 ALA N . 27793 1 476 . 1 1 98 98 ASP H H 1 7.740 0.01 . 1 . . . . . 108 ASP H . 27793 1 477 . 1 1 98 98 ASP C C 13 177.003 0.1 . 1 . . . . . 108 ASP C . 27793 1 478 . 1 1 98 98 ASP CA C 13 56.976 0.15 . 1 . . . . . 108 ASP CA . 27793 1 479 . 1 1 98 98 ASP CB C 13 41.204 0.15 . 1 . . . . . 108 ASP CB . 27793 1 480 . 1 1 98 98 ASP N N 15 121.066 0.05 . 1 . . . . . 108 ASP N . 27793 1 481 . 1 1 99 99 ALA H H 1 6.874 0.01 . 1 . . . . . 109 ALA H . 27793 1 482 . 1 1 99 99 ALA C C 13 179.450 0.1 . 1 . . . . . 109 ALA C . 27793 1 483 . 1 1 99 99 ALA CA C 13 54.102 0.15 . 1 . . . . . 109 ALA CA . 27793 1 484 . 1 1 99 99 ALA CB C 13 20.771 0.15 . 1 . . . . . 109 ALA CB . 27793 1 485 . 1 1 99 99 ALA N N 15 122.238 0.05 . 1 . . . . . 109 ALA N . 27793 1 486 . 1 1 100 100 ARG H H 1 7.875 0.01 . 1 . . . . . 110 ARG H . 27793 1 487 . 1 1 100 100 ARG C C 13 179.336 0.1 . 1 . . . . . 110 ARG C . 27793 1 488 . 1 1 100 100 ARG CA C 13 59.155 0.15 . 1 . . . . . 110 ARG CA . 27793 1 489 . 1 1 100 100 ARG CB C 13 30.787 0.15 . 1 . . . . . 110 ARG CB . 27793 1 490 . 1 1 100 100 ARG N N 15 116.360 0.05 . 1 . . . . . 110 ARG N . 27793 1 491 . 1 1 101 101 ALA H H 1 7.903 0.01 . 1 . . . . . 111 ALA H . 27793 1 492 . 1 1 101 101 ALA C C 13 180.594 0.1 . 1 . . . . . 111 ALA C . 27793 1 493 . 1 1 101 101 ALA CA C 13 54.962 0.15 . 1 . . . . . 111 ALA CA . 27793 1 494 . 1 1 101 101 ALA CB C 13 18.049 0.15 . 1 . . . . . 111 ALA CB . 27793 1 495 . 1 1 101 101 ALA N N 15 121.890 0.05 . 1 . . . . . 111 ALA N . 27793 1 496 . 1 1 102 102 PHE H H 1 8.408 0.01 . 1 . . . . . 112 PHE H . 27793 1 497 . 1 1 102 102 PHE C C 13 176.136 0.1 . 1 . . . . . 112 PHE C . 27793 1 498 . 1 1 102 102 PHE CA C 13 63.112 0.15 . 1 . . . . . 112 PHE CA . 27793 1 499 . 1 1 102 102 PHE CB C 13 40.887 0.15 . 1 . . . . . 112 PHE CB . 27793 1 500 . 1 1 102 102 PHE N N 15 122.075 0.05 . 1 . . . . . 112 PHE N . 27793 1 501 . 1 1 103 103 ASP H H 1 8.238 0.01 . 1 . . . . . 113 ASP H . 27793 1 502 . 1 1 103 103 ASP C C 13 177.275 0.1 . 1 . . . . . 113 ASP C . 27793 1 503 . 1 1 103 103 ASP CA C 13 57.039 0.15 . 1 . . . . . 113 ASP CA . 27793 1 504 . 1 1 103 103 ASP CB C 13 42.817 0.15 . 1 . . . . . 113 ASP CB . 27793 1 505 . 1 1 103 103 ASP N N 15 117.929 0.05 . 1 . . . . . 113 ASP N . 27793 1 506 . 1 1 104 104 ARG H H 1 8.070 0.01 . 1 . . . . . 114 ARG H . 27793 1 507 . 1 1 104 104 ARG C C 13 178.940 0.1 . 1 . . . . . 114 ARG C . 27793 1 508 . 1 1 104 104 ARG CA C 13 59.546 0.15 . 1 . . . . . 114 ARG CA . 27793 1 509 . 1 1 104 104 ARG CB C 13 30.104 0.15 . 1 . . . . . 114 ARG CB . 27793 1 510 . 1 1 104 104 ARG N N 15 116.324 0.05 . 1 . . . . . 114 ARG N . 27793 1 511 . 1 1 105 105 GLY H H 1 7.888 0.01 . 1 . . . . . 115 GLY H . 27793 1 512 . 1 1 105 105 GLY C C 13 174.382 0.1 . 1 . . . . . 115 GLY C . 27793 1 513 . 1 1 105 105 GLY CA C 13 47.562 0.15 . 1 . . . . . 115 GLY CA . 27793 1 514 . 1 1 105 105 GLY N N 15 107.359 0.05 . 1 . . . . . 115 GLY N . 27793 1 515 . 1 1 106 106 ILE H H 1 8.146 0.01 . 1 . . . . . 116 ILE H . 27793 1 516 . 1 1 106 106 ILE C C 13 177.377 0.1 . 1 . . . . . 116 ILE C . 27793 1 517 . 1 1 106 106 ILE CA C 13 62.637 0.15 . 1 . . . . . 116 ILE CA . 27793 1 518 . 1 1 106 106 ILE CB C 13 35.230 0.15 . 1 . . . . . 116 ILE CB . 27793 1 519 . 1 1 106 106 ILE N N 15 122.223 0.05 . 1 . . . . . 116 ILE N . 27793 1 520 . 1 1 107 107 ARG H H 1 8.069 0.01 . 1 . . . . . 117 ARG H . 27793 1 521 . 1 1 107 107 ARG C C 13 179.563 0.1 . 1 . . . . . 117 ARG C . 27793 1 522 . 1 1 107 107 ARG CA C 13 59.454 0.15 . 1 . . . . . 117 ARG CA . 27793 1 523 . 1 1 107 107 ARG CB C 13 29.525 0.15 . 1 . . . . . 117 ARG CB . 27793 1 524 . 1 1 107 107 ARG N N 15 117.990 0.05 . 1 . . . . . 117 ARG N . 27793 1 525 . 1 1 108 108 ARG H H 1 7.935 0.01 . 1 . . . . . 118 ARG H . 27793 1 526 . 1 1 108 108 ARG C C 13 177.517 0.1 . 1 . . . . . 118 ARG C . 27793 1 527 . 1 1 108 108 ARG CA C 13 58.869 0.15 . 1 . . . . . 118 ARG CA . 27793 1 528 . 1 1 108 108 ARG CB C 13 30.458 0.15 . 1 . . . . . 118 ARG CB . 27793 1 529 . 1 1 108 108 ARG N N 15 119.615 0.05 . 1 . . . . . 118 ARG N . 27793 1 530 . 1 1 109 109 ALA H H 1 7.724 0.01 . 1 . . . . . 119 ALA H . 27793 1 531 . 1 1 109 109 ALA C C 13 178.311 0.1 . 1 . . . . . 119 ALA C . 27793 1 532 . 1 1 109 109 ALA CA C 13 55.186 0.15 . 1 . . . . . 119 ALA CA . 27793 1 533 . 1 1 109 109 ALA CB C 13 17.666 0.15 . 1 . . . . . 119 ALA CB . 27793 1 534 . 1 1 109 109 ALA N N 15 122.391 0.05 . 1 . . . . . 119 ALA N . 27793 1 535 . 1 1 110 110 ILE H H 1 8.069 0.01 . 1 . . . . . 120 ILE H . 27793 1 536 . 1 1 110 110 ILE C C 13 179.374 0.1 . 1 . . . . . 120 ILE C . 27793 1 537 . 1 1 110 110 ILE CA C 13 64.223 0.15 . 1 . . . . . 120 ILE CA . 27793 1 538 . 1 1 110 110 ILE CB C 13 36.908 0.15 . 1 . . . . . 120 ILE CB . 27793 1 539 . 1 1 110 110 ILE N N 15 115.746 0.05 . 1 . . . . . 120 ILE N . 27793 1 540 . 1 1 111 111 GLU H H 1 7.924 0.01 . 1 . . . . . 121 GLU H . 27793 1 541 . 1 1 111 111 GLU C C 13 178.719 0.1 . 1 . . . . . 121 GLU C . 27793 1 542 . 1 1 111 111 GLU CA C 13 59.445 0.15 . 1 . . . . . 121 GLU CA . 27793 1 543 . 1 1 111 111 GLU CB C 13 29.135 0.15 . 1 . . . . . 121 GLU CB . 27793 1 544 . 1 1 111 111 GLU N N 15 121.890 0.05 . 1 . . . . . 121 GLU N . 27793 1 545 . 1 1 112 112 ASP H H 1 7.917 0.01 . 1 . . . . . 122 ASP H . 27793 1 546 . 1 1 112 112 ASP C C 13 179.252 0.1 . 1 . . . . . 122 ASP C . 27793 1 547 . 1 1 112 112 ASP CA C 13 56.808 0.15 . 1 . . . . . 122 ASP CA . 27793 1 548 . 1 1 112 112 ASP CB C 13 40.066 0.15 . 1 . . . . . 122 ASP CB . 27793 1 549 . 1 1 112 112 ASP N N 15 120.955 0.05 . 1 . . . . . 122 ASP N . 27793 1 550 . 1 1 113 113 ILE H H 1 8.098 0.01 . 1 . . . . . 123 ILE H . 27793 1 551 . 1 1 113 113 ILE C C 13 178.158 0.1 . 1 . . . . . 123 ILE C . 27793 1 552 . 1 1 113 113 ILE CA C 13 64.764 0.15 . 1 . . . . . 123 ILE CA . 27793 1 553 . 1 1 113 113 ILE CB C 13 38.217 0.15 . 1 . . . . . 123 ILE CB . 27793 1 554 . 1 1 113 113 ILE N N 15 122.446 0.05 . 1 . . . . . 123 ILE N . 27793 1 555 . 1 1 114 114 SER H H 1 7.953 0.01 . 1 . . . . . 124 SER H . 27793 1 556 . 1 1 114 114 SER C C 13 174.969 0.1 . 1 . . . . . 124 SER C . 27793 1 557 . 1 1 114 114 SER CA C 13 60.120 0.15 . 1 . . . . . 124 SER CA . 27793 1 558 . 1 1 114 114 SER CB C 13 63.328 0.15 . 1 . . . . . 124 SER CB . 27793 1 559 . 1 1 114 114 SER N N 15 115.590 0.05 . 1 . . . . . 124 SER N . 27793 1 560 . 1 1 115 115 GLN H H 1 7.997 0.01 . 1 . . . . . 125 GLN H . 27793 1 561 . 1 1 115 115 GLN HE21 H 1 7.537 0.05 . 2 . . . . . 125 GLN HE21 . 27793 1 562 . 1 1 115 115 GLN HE22 H 1 6.850 0.05 . 2 . . . . . 125 GLN HE22 . 27793 1 563 . 1 1 115 115 GLN C C 13 176.703 0.1 . 1 . . . . . 125 GLN C . 27793 1 564 . 1 1 115 115 GLN CA C 13 56.501 0.15 . 1 . . . . . 125 GLN CA . 27793 1 565 . 1 1 115 115 GLN CB C 13 29.166 0.15 . 1 . . . . . 125 GLN CB . 27793 1 566 . 1 1 115 115 GLN CD C 13 180.219 0.2 . 1 . . . . . 125 GLN CD . 27793 1 567 . 1 1 115 115 GLN N N 15 120.044 0.05 . 1 . . . . . 125 GLN N . 27793 1 568 . 1 1 115 115 GLN NE2 N 15 112.250 0.05 . 1 . . . . . 125 GLN NE2 . 27793 1 569 . 1 1 116 116 GLY H H 1 8.146 0.01 . 1 . . . . . 126 GLY H . 27793 1 570 . 1 1 116 116 GLY C C 13 173.775 0.1 . 1 . . . . . 126 GLY C . 27793 1 571 . 1 1 116 116 GLY CA C 13 45.433 0.15 . 1 . . . . . 126 GLY CA . 27793 1 572 . 1 1 116 116 GLY N N 15 108.493 0.05 . 1 . . . . . 126 GLY N . 27793 1 573 . 1 1 117 117 CYS H H 1 8.185 0.01 . 1 . . . . . 127 CYS H . 27793 1 574 . 1 1 117 117 CYS CA C 13 56.653 0.15 . 1 . . . . . 127 CYS CA . 27793 1 575 . 1 1 117 117 CYS CB C 13 27.628 0.15 . 1 . . . . . 127 CYS CB . 27793 1 576 . 1 1 117 117 CYS N N 15 119.822 0.05 . 1 . . . . . 127 CYS N . 27793 1 577 . 1 1 118 118 PRO C C 13 176.915 0.1 . 1 . . . . . 128 PRO C . 27793 1 578 . 1 1 118 118 PRO CA C 13 63.411 0.15 . 1 . . . . . 128 PRO CA . 27793 1 579 . 1 1 118 118 PRO CB C 13 32.200 0.15 . 1 . . . . . 128 PRO CB . 27793 1 580 . 1 1 119 119 GLU H H 1 8.539 0.01 . 1 . . . . . 129 GLU H . 27793 1 581 . 1 1 119 119 GLU C C 13 175.786 0.1 . 1 . . . . . 129 GLU C . 27793 1 582 . 1 1 119 119 GLU CA C 13 56.740 0.15 . 1 . . . . . 129 GLU CA . 27793 1 583 . 1 1 119 119 GLU CB C 13 30.351 0.15 . 1 . . . . . 129 GLU CB . 27793 1 584 . 1 1 119 119 GLU N N 15 121.238 0.05 . 1 . . . . . 129 GLU N . 27793 1 585 . 1 1 120 120 SER H H 1 7.952 0.01 . 1 . . . . . 130 SER H . 27793 1 586 . 1 1 120 120 SER CA C 13 59.845 0.15 . 1 . . . . . 130 SER CA . 27793 1 587 . 1 1 120 120 SER CB C 13 64.836 0.15 . 1 . . . . . 130 SER CB . 27793 1 588 . 1 1 120 120 SER N N 15 122.052 0.05 . 1 . . . . . 130 SER N . 27793 1 stop_ save_