data_50196 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50196 _Entry.Title ; Backbone chemical shifts of E2A residues 1-100 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-13 _Entry.Accession_date 2020-02-13 _Entry.Last_release_date 2020-02-18 _Entry.Original_release_date 2020-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'The backbone chemical shifts of E2A residues 1-100' _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 David Langelaan . N. . 0000-0001-9592-3075 50196 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50196 spectral_peak_list 1 50196 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 50196 '15N chemical shifts' 93 50196 '1H chemical shifts' 140 50196 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 . . 2020-07-13 2020-02-13 update BMRB 'update entry citation' 50196 1 . . 2020-02-24 2020-02-13 original author 'original release' 50196 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50196 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32098872 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural insights into TAZ2 domain-mediated CBP/p300 recruitment by transactivation domain 1 of the lymphopoietic transcription factor E2A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4303 _Citation.Page_last 4315 _Citation.Year 2020 _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 Marina Lochhead M. R. . . 50196 1 2 Alexandra Brown A. D. . . 50196 1 3 Alyssa Kirlin A. C. . . 50196 1 4 Seth Chitayat S. . . . 50196 1 5 Kim Munro K. . . . 50196 1 6 Jane Findlay J. E. . . 50196 1 7 George Baillie G. S. . . 50196 1 8 David LeBrun D. P. . . 50196 1 9 David Langelaan D. N. . . 50196 1 10 Steven Smith S. P. . . 50196 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E2A 50196 1 Taz2 50196 1 'solution NMR' 50196 1 'transcription factor' 50196 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50196 _Assembly.ID 1 _Assembly.Name 'E2A residues 1-100' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10486.3478 _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 E2A:1-100 1 $entity_1 . . yes 'intrinsically disordered' yes no . . . 50196 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50196 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSMNQPQRMAPVGTDKELSD LLDFSMMFPLPVTNGKGRPA SLAGAQFGGSGLEDRPSSGS WGSGDQSSSSFDPSRTFSEG THFTESHSSLSSSTFLGPGL GG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10486.3478 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 50196 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 . 50196 1 2 . SER . 50196 1 3 . MET . 50196 1 4 . ASN . 50196 1 5 . GLN . 50196 1 6 . PRO . 50196 1 7 . GLN . 50196 1 8 . ARG . 50196 1 9 . MET . 50196 1 10 . ALA . 50196 1 11 . PRO . 50196 1 12 . VAL . 50196 1 13 . GLY . 50196 1 14 . THR . 50196 1 15 . ASP . 50196 1 16 . LYS . 50196 1 17 . GLU . 50196 1 18 . LEU . 50196 1 19 . SER . 50196 1 20 . ASP . 50196 1 21 . LEU . 50196 1 22 . LEU . 50196 1 23 . ASP . 50196 1 24 . PHE . 50196 1 25 . SER . 50196 1 26 . MET . 50196 1 27 . MET . 50196 1 28 . PHE . 50196 1 29 . PRO . 50196 1 30 . LEU . 50196 1 31 . PRO . 50196 1 32 . VAL . 50196 1 33 . THR . 50196 1 34 . ASN . 50196 1 35 . GLY . 50196 1 36 . LYS . 50196 1 37 . GLY . 50196 1 38 . ARG . 50196 1 39 . PRO . 50196 1 40 . ALA . 50196 1 41 . SER . 50196 1 42 . LEU . 50196 1 43 . ALA . 50196 1 44 . GLY . 50196 1 45 . ALA . 50196 1 46 . GLN . 50196 1 47 . PHE . 50196 1 48 . GLY . 50196 1 49 . GLY . 50196 1 50 . SER . 50196 1 51 . GLY . 50196 1 52 . LEU . 50196 1 53 . GLU . 50196 1 54 . ASP . 50196 1 55 . ARG . 50196 1 56 . PRO . 50196 1 57 . SER . 50196 1 58 . SER . 50196 1 59 . GLY . 50196 1 60 . SER . 50196 1 61 . TRP . 50196 1 62 . GLY . 50196 1 63 . SER . 50196 1 64 . GLY . 50196 1 65 . ASP . 50196 1 66 . GLN . 50196 1 67 . SER . 50196 1 68 . SER . 50196 1 69 . SER . 50196 1 70 . SER . 50196 1 71 . PHE . 50196 1 72 . ASP . 50196 1 73 . PRO . 50196 1 74 . SER . 50196 1 75 . ARG . 50196 1 76 . THR . 50196 1 77 . PHE . 50196 1 78 . SER . 50196 1 79 . GLU . 50196 1 80 . GLY . 50196 1 81 . THR . 50196 1 82 . HIS . 50196 1 83 . PHE . 50196 1 84 . THR . 50196 1 85 . GLU . 50196 1 86 . SER . 50196 1 87 . HIS . 50196 1 88 . SER . 50196 1 89 . SER . 50196 1 90 . LEU . 50196 1 91 . SER . 50196 1 92 . SER . 50196 1 93 . SER . 50196 1 94 . THR . 50196 1 95 . PHE . 50196 1 96 . LEU . 50196 1 97 . GLY . 50196 1 98 . PRO . 50196 1 99 . GLY . 50196 1 100 . LEU . 50196 1 101 . GLY . 50196 1 102 . GLY . 50196 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 50196 1 . SER 2 2 50196 1 . MET 3 3 50196 1 . ASN 4 4 50196 1 . GLN 5 5 50196 1 . PRO 6 6 50196 1 . GLN 7 7 50196 1 . ARG 8 8 50196 1 . MET 9 9 50196 1 . ALA 10 10 50196 1 . PRO 11 11 50196 1 . VAL 12 12 50196 1 . GLY 13 13 50196 1 . THR 14 14 50196 1 . ASP 15 15 50196 1 . LYS 16 16 50196 1 . GLU 17 17 50196 1 . LEU 18 18 50196 1 . SER 19 19 50196 1 . ASP 20 20 50196 1 . LEU 21 21 50196 1 . LEU 22 22 50196 1 . ASP 23 23 50196 1 . PHE 24 24 50196 1 . SER 25 25 50196 1 . MET 26 26 50196 1 . MET 27 27 50196 1 . PHE 28 28 50196 1 . PRO 29 29 50196 1 . LEU 30 30 50196 1 . PRO 31 31 50196 1 . VAL 32 32 50196 1 . THR 33 33 50196 1 . ASN 34 34 50196 1 . GLY 35 35 50196 1 . LYS 36 36 50196 1 . GLY 37 37 50196 1 . ARG 38 38 50196 1 . PRO 39 39 50196 1 . ALA 40 40 50196 1 . SER 41 41 50196 1 . LEU 42 42 50196 1 . ALA 43 43 50196 1 . GLY 44 44 50196 1 . ALA 45 45 50196 1 . GLN 46 46 50196 1 . PHE 47 47 50196 1 . GLY 48 48 50196 1 . GLY 49 49 50196 1 . SER 50 50 50196 1 . GLY 51 51 50196 1 . LEU 52 52 50196 1 . GLU 53 53 50196 1 . ASP 54 54 50196 1 . ARG 55 55 50196 1 . PRO 56 56 50196 1 . SER 57 57 50196 1 . SER 58 58 50196 1 . GLY 59 59 50196 1 . SER 60 60 50196 1 . TRP 61 61 50196 1 . GLY 62 62 50196 1 . SER 63 63 50196 1 . GLY 64 64 50196 1 . ASP 65 65 50196 1 . GLN 66 66 50196 1 . SER 67 67 50196 1 . SER 68 68 50196 1 . SER 69 69 50196 1 . SER 70 70 50196 1 . PHE 71 71 50196 1 . ASP 72 72 50196 1 . PRO 73 73 50196 1 . SER 74 74 50196 1 . ARG 75 75 50196 1 . THR 76 76 50196 1 . PHE 77 77 50196 1 . SER 78 78 50196 1 . GLU 79 79 50196 1 . GLY 80 80 50196 1 . THR 81 81 50196 1 . HIS 82 82 50196 1 . PHE 83 83 50196 1 . THR 84 84 50196 1 . GLU 85 85 50196 1 . SER 86 86 50196 1 . HIS 87 87 50196 1 . SER 88 88 50196 1 . SER 89 89 50196 1 . LEU 90 90 50196 1 . SER 91 91 50196 1 . SER 92 92 50196 1 . SER 93 93 50196 1 . THR 94 94 50196 1 . PHE 95 95 50196 1 . LEU 96 96 50196 1 . GLY 97 97 50196 1 . PRO 98 98 50196 1 . GLY 99 99 50196 1 . LEU 100 100 50196 1 . GLY 101 101 50196 1 . GLY 102 102 50196 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50196 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50196 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50196 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET 21' . . . 50196 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50196 _Sample.ID 1 _Sample.Name 'Sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 6.0' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50196 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . '% v/v' . . . . 50196 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50196 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50196 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 50196 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Conditions 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' 50 . mM 50196 1 pH 6 . pH 50196 1 pressure 1 . atm 50196 1 temperature 298 . K 50196 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50196 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID VnmrJ collection 50196 1 'CcpNmr Analysis' 'data analysis' 50196 1 NmrPipe processing 50196 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50196 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50196 _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/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50196 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50196 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50196 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50196 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50196 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Set 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 water protons . . . . ppm 4.782 internal indirect 0.25144953 . . . . . 50196 1 H 1 water protons . . . . ppm 4.782 internal direct 1 . . . . . 50196 1 N 15 water protons . . . . ppm 4.782 internal indirect 0.101329118 . . . . . 50196 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50196 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name E2A1-100 _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 $chem_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/HMQC' . . . 50196 1 2 '3D HNCO' . . . 50196 1 3 '3D CBCA(CO)NH' . . . 50196 1 4 '3D HNCACB' . . . 50196 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 SER C C 13 174.602 0.005 . 1 . . 190 . . 2 SER C . 50196 1 2 . 1 . 1 2 2 SER CA C 13 58.439 . . 1 . . 289 . . 2 SER CA . 50196 1 3 . 1 . 1 2 2 SER CB C 13 63.989 . . 1 . . 446 . . 2 SER CB . 50196 1 4 . 1 . 1 3 3 MET H H 1 8.585 0.0 . 1 . . 53 . . 3 MET H . 50196 1 5 . 1 . 1 3 3 MET C C 13 175.906 0.004 . 1 . . 213 . . 3 MET C . 50196 1 6 . 1 . 1 3 3 MET CA C 13 55.675 0.021 . 1 . . 334 . . 3 MET CA . 50196 1 7 . 1 . 1 3 3 MET CB C 13 32.687 . . 1 . . 290 . . 3 MET CB . 50196 1 8 . 1 . 1 3 3 MET N N 15 122.017 0.003 . 1 . . 54 . . 3 MET N . 50196 1 9 . 1 . 1 4 4 ASN H H 1 8.460 0.001 . 1 . . 17 . . 4 ASN H . 50196 1 10 . 1 . 1 4 4 ASN C C 13 174.651 0.004 . 1 . . 251 . . 4 ASN C . 50196 1 11 . 1 . 1 4 4 ASN CA C 13 53.321 0.027 . 1 . . 309 . . 4 ASN CA . 50196 1 12 . 1 . 1 4 4 ASN CB C 13 38.882 0.042 . 1 . . 308 . . 4 ASN CB . 50196 1 13 . 1 . 1 4 4 ASN N N 15 119.720 0.002 . 1 . . 18 . . 4 ASN N . 50196 1 14 . 1 . 1 5 5 GLN H H 1 8.253 0.0 . 1 . . 131 . . 5 GLN H . 50196 1 15 . 1 . 1 5 5 GLN HE21 H 1 6.880 . . 1 . . 502 . . 5 GLN HE21 . 50196 1 16 . 1 . 1 5 5 GLN HE22 H 1 7.517 . . 1 . . 504 . . 5 GLN HE22 . 50196 1 17 . 1 . 1 5 5 GLN C C 13 173.855 . . 1 . . 243 . . 5 GLN C . 50196 1 18 . 1 . 1 5 5 GLN CA C 13 53.742 . . 1 . . 377 . . 5 GLN CA . 50196 1 19 . 1 . 1 5 5 GLN CB C 13 29.120 . . 1 . . 376 . . 5 GLN CB . 50196 1 20 . 1 . 1 5 5 GLN N N 15 121.303 0.005 . 1 . . 132 . . 5 GLN N . 50196 1 21 . 1 . 1 5 5 GLN NE2 N 15 112.397 0.0 . 1 . . 503 . . 5 GLN NE2 . 50196 1 22 . 1 . 1 6 6 PRO C C 13 176.808 0.007 . 1 . . 195 . . 6 PRO C . 50196 1 23 . 1 . 1 6 6 PRO CA C 13 63.280 0.012 . 1 . . 285 . . 6 PRO CA . 50196 1 24 . 1 . 1 6 6 PRO CB C 13 32.155 0.022 . 1 . . 286 . . 6 PRO CB . 50196 1 25 . 1 . 1 7 7 GLN H H 1 8.508 0.001 . 1 . . 135 . . 7 GLN H . 50196 1 26 . 1 . 1 7 7 GLN HE21 H 1 7.544 . . 1 . . 73 . . 7 GLN HE21 . 50196 1 27 . 1 . 1 7 7 GLN HE22 H 1 6.888 . . 1 . . 127 . . 7 GLN HE22 . 50196 1 28 . 1 . 1 7 7 GLN C C 13 175.872 0.008 . 1 . . 188 . . 7 GLN C . 50196 1 29 . 1 . 1 7 7 GLN CA C 13 55.872 0.055 . 1 . . 267 . . 7 GLN CA . 50196 1 30 . 1 . 1 7 7 GLN CB C 13 29.570 0.077 . 1 . . 268 . . 7 GLN CB . 50196 1 31 . 1 . 1 7 7 GLN N N 15 120.689 0.014 . 1 . . 136 . . 7 GLN N . 50196 1 32 . 1 . 1 7 7 GLN NE2 N 15 112.640 0.001 . 1 . . 74 . . 7 GLN NE2 . 50196 1 33 . 1 . 1 8 8 ARG H H 1 8.377 0.0 . 1 . . 65 . . 8 ARG H . 50196 1 34 . 1 . 1 8 8 ARG HA H 1 4.324 0.002 . 1 . . 462 . . 8 ARG HA . 50196 1 35 . 1 . 1 8 8 ARG HB2 H 1 1.751 0.006 . 2 . . 459 . . 8 ARG HB2 . 50196 1 36 . 1 . 1 8 8 ARG HB3 H 1 1.827 0.007 . 2 . . 460 . . 8 ARG HB3 . 50196 1 37 . 1 . 1 8 8 ARG HG2 H 1 1.608 0.0 . 1 . . 458 . . 8 ARG HG2 . 50196 1 38 . 1 . 1 8 8 ARG HD2 H 1 3.181 0.0 . 1 . . 461 . . 8 ARG HD2 . 50196 1 39 . 1 . 1 8 8 ARG C C 13 175.978 0.015 . 1 . . 185 . . 8 ARG C . 50196 1 40 . 1 . 1 8 8 ARG CA C 13 56.063 0.031 . 1 . . 283 . . 8 ARG CA . 50196 1 41 . 1 . 1 8 8 ARG CB C 13 30.918 0.017 . 1 . . 284 . . 8 ARG CB . 50196 1 42 . 1 . 1 8 8 ARG CG C 13 27.170 0.01 . 1 . . 457 . . 8 ARG CG . 50196 1 43 . 1 . 1 8 8 ARG CD C 13 43.399 0.016 . 1 . . 456 . . 8 ARG CD . 50196 1 44 . 1 . 1 8 8 ARG N N 15 122.529 0.009 . 1 . . 66 . . 8 ARG N . 50196 1 45 . 1 . 1 9 9 MET H H 1 8.428 0.002 . 1 . . 115 . . 9 MET H . 50196 1 46 . 1 . 1 9 9 MET C C 13 175.376 0.005 . 1 . . 199 . . 9 MET C . 50196 1 47 . 1 . 1 9 9 MET CA C 13 55.111 0.002 . 1 . . 264 . . 9 MET CA . 50196 1 48 . 1 . 1 9 9 MET CB C 13 33.106 0.031 . 1 . . 405 . . 9 MET CB . 50196 1 49 . 1 . 1 9 9 MET N N 15 122.181 0.01 . 1 . . 116 . . 9 MET N . 50196 1 50 . 1 . 1 10 10 ALA H H 1 8.290 0.001 . 1 . . 97 . . 10 ALA H . 50196 1 51 . 1 . 1 10 10 ALA HA H 1 4.568 . . 1 . . 454 . . 10 ALA HA . 50196 1 52 . 1 . 1 10 10 ALA HB1 H 1 1.351 . . 1 . . 455 . . 10 ALA HB1 . 50196 1 53 . 1 . 1 10 10 ALA HB2 H 1 1.351 . . 1 . . 455 . . 10 ALA HB2 . 50196 1 54 . 1 . 1 10 10 ALA HB3 H 1 1.351 . . 1 . . 455 . . 10 ALA HB3 . 50196 1 55 . 1 . 1 10 10 ALA C C 13 175.340 . . 1 . . 431 . . 10 ALA C . 50196 1 56 . 1 . 1 10 10 ALA CA C 13 50.497 0.012 . 1 . . 360 . . 10 ALA CA . 50196 1 57 . 1 . 1 10 10 ALA CB C 13 18.297 0.028 . 1 . . 359 . . 10 ALA CB . 50196 1 58 . 1 . 1 10 10 ALA N N 15 126.649 0.007 . 1 . . 98 . . 10 ALA N . 50196 1 59 . 1 . 1 11 11 PRO C C 13 176.869 0.004 . 1 . . 193 . . 11 PRO C . 50196 1 60 . 1 . 1 11 11 PRO CA C 13 62.896 . . 1 . . 294 . . 11 PRO CA . 50196 1 61 . 1 . 1 11 11 PRO CB C 13 32.000 . . 1 . . 295 . . 11 PRO CB . 50196 1 62 . 1 . 1 12 12 VAL H H 1 8.276 0.0 . 1 . . 67 . . 12 VAL H . 50196 1 63 . 1 . 1 12 12 VAL HA H 1 4.124 0.001 . 1 . . 473 . . 12 VAL HA . 50196 1 64 . 1 . 1 12 12 VAL HB H 1 2.074 0.001 . 1 . . 474 . . 12 VAL HB . 50196 1 65 . 1 . 1 12 12 VAL HG11 H 1 0.965 0.0 . 2 . . 475 . . 12 VAL HG11 . 50196 1 66 . 1 . 1 12 12 VAL HG12 H 1 0.965 0.0 . 2 . . 475 . . 12 VAL HG12 . 50196 1 67 . 1 . 1 12 12 VAL HG13 H 1 0.965 0.0 . 2 . . 475 . . 12 VAL HG13 . 50196 1 68 . 1 . 1 12 12 VAL HG21 H 1 0.966 0.0 . 2 . . 476 . . 12 VAL HG21 . 50196 1 69 . 1 . 1 12 12 VAL HG22 H 1 0.966 0.0 . 2 . . 476 . . 12 VAL HG22 . 50196 1 70 . 1 . 1 12 12 VAL HG23 H 1 0.966 0.0 . 2 . . 476 . . 12 VAL HG23 . 50196 1 71 . 1 . 1 12 12 VAL C C 13 176.752 0.014 . 1 . . 186 . . 12 VAL C . 50196 1 72 . 1 . 1 12 12 VAL CA C 13 62.442 0.051 . 1 . . 261 . . 12 VAL CA . 50196 1 73 . 1 . 1 12 12 VAL CB C 13 32.941 0.023 . 1 . . 262 . . 12 VAL CB . 50196 1 74 . 1 . 1 12 12 VAL CG1 C 13 20.562 0.01 . 2 . . 472 . . 12 VAL CG1 . 50196 1 75 . 1 . 1 12 12 VAL CG2 C 13 21.215 0.003 . 2 . . 471 . . 12 VAL CG2 . 50196 1 76 . 1 . 1 12 12 VAL N N 15 120.350 0.004 . 1 . . 68 . . 12 VAL N . 50196 1 77 . 1 . 1 13 13 GLY H H 1 8.534 0.002 . 1 . . 125 . . 13 GLY H . 50196 1 78 . 1 . 1 13 13 GLY C C 13 174.422 0.004 . 1 . . 173 . . 13 GLY C . 50196 1 79 . 1 . 1 13 13 GLY CA C 13 45.353 0.016 . 1 . . 299 . . 13 GLY CA . 50196 1 80 . 1 . 1 13 13 GLY N N 15 112.485 0.004 . 1 . . 126 . . 13 GLY N . 50196 1 81 . 1 . 1 14 14 THR H H 1 8.094 0.0 . 1 . . 11 . . 14 THR H . 50196 1 82 . 1 . 1 14 14 THR C C 13 174.468 0.009 . 1 . . 165 . . 14 THR C . 50196 1 83 . 1 . 1 14 14 THR CA C 13 61.899 0.022 . 1 . . 430 . . 14 THR CA . 50196 1 84 . 1 . 1 14 14 THR CB C 13 69.860 0.016 . 1 . . 270 . . 14 THR CB . 50196 1 85 . 1 . 1 14 14 THR CG2 C 13 21.566 . . 1 . . 487 . . 14 THR CG2 . 50196 1 86 . 1 . 1 14 14 THR N N 15 113.091 0.004 . 1 . . 12 . . 14 THR N . 50196 1 87 . 1 . 1 15 15 ASP H H 1 8.461 0.002 . 1 . . 5 . . 15 ASP H . 50196 1 88 . 1 . 1 15 15 ASP C C 13 176.468 0.006 . 1 . . 166 . . 15 ASP C . 50196 1 89 . 1 . 1 15 15 ASP CA C 13 54.788 0.011 . 1 . . 305 . . 15 ASP CA . 50196 1 90 . 1 . 1 15 15 ASP CB C 13 40.931 0.037 . 1 . . 278 . . 15 ASP CB . 50196 1 91 . 1 . 1 15 15 ASP N N 15 122.308 0.004 . 1 . . 6 . . 15 ASP N . 50196 1 92 . 1 . 1 16 16 LYS H H 1 8.188 0.0 . 1 . . 79 . . 16 LYS H . 50196 1 93 . 1 . 1 16 16 LYS C C 13 176.686 0.006 . 1 . . 237 . . 16 LYS C . 50196 1 94 . 1 . 1 16 16 LYS CA C 13 56.726 0.004 . 1 . . 348 . . 16 LYS CA . 50196 1 95 . 1 . 1 16 16 LYS CB C 13 33.025 0.03 . 1 . . 347 . . 16 LYS CB . 50196 1 96 . 1 . 1 16 16 LYS N N 15 121.452 0.004 . 1 . . 80 . . 16 LYS N . 50196 1 97 . 1 . 1 17 17 GLU H H 1 8.378 0.001 . 1 . . 45 . . 17 GLU H . 50196 1 98 . 1 . 1 17 17 GLU C C 13 176.956 0.007 . 1 . . 227 . . 17 GLU C . 50196 1 99 . 1 . 1 17 17 GLU CA C 13 57.047 0.006 . 1 . . 329 . . 17 GLU CA . 50196 1 100 . 1 . 1 17 17 GLU CB C 13 29.991 0.019 . 1 . . 328 . . 17 GLU CB . 50196 1 101 . 1 . 1 17 17 GLU N N 15 121.014 0.006 . 1 . . 46 . . 17 GLU N . 50196 1 102 . 1 . 1 18 18 LEU H H 1 8.196 0.001 . 1 . . 59 . . 18 LEU H . 50196 1 103 . 1 . 1 18 18 LEU C C 13 177.743 0.003 . 1 . . 203 . . 18 LEU C . 50196 1 104 . 1 . 1 18 18 LEU CA C 13 55.644 0.02 . 1 . . 338 . . 18 LEU CA . 50196 1 105 . 1 . 1 18 18 LEU CB C 13 42.180 0.066 . 1 . . 337 . . 18 LEU CB . 50196 1 106 . 1 . 1 18 18 LEU N N 15 122.213 0.006 . 1 . . 60 . . 18 LEU N . 50196 1 107 . 1 . 1 19 19 SER H H 1 8.195 0.001 . 1 . . 55 . . 19 SER H . 50196 1 108 . 1 . 1 19 19 SER C C 13 174.704 0.009 . 1 . . 229 . . 19 SER C . 50196 1 109 . 1 . 1 19 19 SER CA C 13 59.009 0.017 . 1 . . 335 . . 19 SER CA . 50196 1 110 . 1 . 1 19 19 SER CB C 13 63.792 0.013 . 1 . . 402 . . 19 SER CB . 50196 1 111 . 1 . 1 19 19 SER N N 15 115.678 0.006 . 1 . . 56 . . 19 SER N . 50196 1 112 . 1 . 1 20 20 ASP H H 1 8.307 0.0 . 1 . . 170 . . 20 ASP H . 50196 1 113 . 1 . 1 20 20 ASP C C 13 176.371 0.004 . 1 . . 169 . . 20 ASP C . 50196 1 114 . 1 . 1 20 20 ASP CA C 13 54.865 0.011 . 1 . . 397 . . 20 ASP CA . 50196 1 115 . 1 . 1 20 20 ASP CB C 13 40.950 0.016 . 1 . . 293 . . 20 ASP CB . 50196 1 116 . 1 . 1 20 20 ASP N N 15 122.024 0.006 . 1 . . 171 . . 20 ASP N . 50196 1 117 . 1 . 1 21 21 LEU H H 1 7.971 0.0 . 1 . . 105 . . 21 LEU H . 50196 1 118 . 1 . 1 21 21 LEU C C 13 177.483 0.005 . 1 . . 236 . . 21 LEU C . 50196 1 119 . 1 . 1 21 21 LEU CA C 13 55.630 0.005 . 1 . . 365 . . 21 LEU CA . 50196 1 120 . 1 . 1 21 21 LEU CB C 13 42.267 0.019 . 1 . . 364 . . 21 LEU CB . 50196 1 121 . 1 . 1 21 21 LEU N N 15 121.208 0.004 . 1 . . 106 . . 21 LEU N . 50196 1 122 . 1 . 1 22 22 LEU H H 1 8.011 0.0 . 1 . . 3 . . 22 LEU H . 50196 1 123 . 1 . 1 22 22 LEU C C 13 176.857 0.002 . 1 . . 164 . . 22 LEU C . 50196 1 124 . 1 . 1 22 22 LEU CA C 13 55.387 0.025 . 1 . . 304 . . 22 LEU CA . 50196 1 125 . 1 . 1 22 22 LEU CB C 13 42.337 0.009 . 1 . . 414 . . 22 LEU CB . 50196 1 126 . 1 . 1 22 22 LEU N N 15 121.799 0.003 . 1 . . 4 . . 22 LEU N . 50196 1 127 . 1 . 1 23 23 ASP H H 1 8.063 0.001 . 1 . . 9 . . 23 ASP H . 50196 1 128 . 1 . 1 23 23 ASP C C 13 176.545 0.001 . 1 . . 172 . . 23 ASP C . 50196 1 129 . 1 . 1 23 23 ASP CA C 13 54.142 0.003 . 1 . . 306 . . 23 ASP CA . 50196 1 130 . 1 . 1 23 23 ASP CB C 13 41.215 0.015 . 1 . . 422 . . 23 ASP CB . 50196 1 131 . 1 . 1 23 23 ASP N N 15 120.258 0.004 . 1 . . 10 . . 23 ASP N . 50196 1 132 . 1 . 1 24 24 PHE H H 1 8.280 0.001 . 1 . . 162 . . 24 PHE H . 50196 1 133 . 1 . 1 24 24 PHE C C 13 176.558 . . 1 . . 429 . . 24 PHE C . 50196 1 134 . 1 . 1 24 24 PHE CA C 13 58.781 0.007 . 1 . . 396 . . 24 PHE CA . 50196 1 135 . 1 . 1 24 24 PHE CB C 13 39.259 . . 1 . . 395 . . 24 PHE CB . 50196 1 136 . 1 . 1 24 24 PHE N N 15 121.988 0.002 . 1 . . 161 . . 24 PHE N . 50196 1 137 . 1 . 1 25 25 SER H H 1 8.314 0.001 . 1 . . 63 . . 25 SER H . 50196 1 138 . 1 . 1 25 25 SER C C 13 174.881 0.006 . 1 . . 223 . . 25 SER C . 50196 1 139 . 1 . 1 25 25 SER CA C 13 59.847 0.029 . 1 . . 341 . . 25 SER CA . 50196 1 140 . 1 . 1 25 25 SER CB C 13 63.545 0.007 . 1 . . 340 . . 25 SER CB . 50196 1 141 . 1 . 1 25 25 SER N N 15 116.138 0.009 . 1 . . 64 . . 25 SER N . 50196 1 142 . 1 . 1 26 26 MET H H 1 7.984 0.002 . 1 . . 159 . . 26 MET H . 50196 1 143 . 1 . 1 26 26 MET C C 13 176.057 0.004 . 1 . . 222 . . 26 MET C . 50196 1 144 . 1 . 1 26 26 MET CA C 13 55.651 0.029 . 1 . . 394 . . 26 MET CA . 50196 1 145 . 1 . 1 26 26 MET CB C 13 32.435 . . 1 . . 263 . . 26 MET CB . 50196 1 146 . 1 . 1 26 26 MET N N 15 120.452 0.001 . 1 . . 160 . . 26 MET N . 50196 1 147 . 1 . 1 27 27 MET H H 1 7.894 0.0 . 1 . . 43 . . 27 MET H . 50196 1 148 . 1 . 1 27 27 MET C C 13 175.352 0.005 . 1 . . 247 . . 27 MET C . 50196 1 149 . 1 . 1 27 27 MET CA C 13 55.836 0.016 . 1 . . 327 . . 27 MET CA . 50196 1 150 . 1 . 1 27 27 MET CB C 13 33.074 0.029 . 1 . . 326 . . 27 MET CB . 50196 1 151 . 1 . 1 27 27 MET N N 15 119.558 0.002 . 1 . . 44 . . 27 MET N . 50196 1 152 . 1 . 1 28 28 PHE H H 1 7.969 0.001 . 1 . . 178 . . 28 PHE H . 50196 1 153 . 1 . 1 28 28 PHE C C 13 173.349 . . 1 . . 180 . . 28 PHE C . 50196 1 154 . 1 . 1 28 28 PHE CA C 13 55.317 . . 1 . . 400 . . 28 PHE CA . 50196 1 155 . 1 . 1 28 28 PHE CB C 13 39.242 . . 1 . . 399 . . 28 PHE CB . 50196 1 156 . 1 . 1 28 28 PHE N N 15 120.381 0.005 . 1 . . 179 . . 28 PHE N . 50196 1 157 . 1 . 1 29 29 PRO C C 13 176.607 0.002 . 1 . . 192 . . 29 PRO C . 50196 1 158 . 1 . 1 29 29 PRO CA C 13 62.999 0.009 . 1 . . 281 . . 29 PRO CA . 50196 1 159 . 1 . 1 29 29 PRO CB C 13 31.966 . . 1 . . 282 . . 29 PRO CB . 50196 1 160 . 1 . 1 30 30 LEU H H 1 8.215 0.001 . 1 . . 137 . . 30 LEU H . 50196 1 161 . 1 . 1 30 30 LEU C C 13 175.494 . . 1 . . 220 . . 30 LEU C . 50196 1 162 . 1 . 1 30 30 LEU CA C 13 53.108 . . 1 . . 381 . . 30 LEU CA . 50196 1 163 . 1 . 1 30 30 LEU CB C 13 41.911 . . 1 . . 380 . . 30 LEU CB . 50196 1 164 . 1 . 1 30 30 LEU N N 15 123.457 0.009 . 1 . . 138 . . 30 LEU N . 50196 1 165 . 1 . 1 31 31 PRO C C 13 176.905 0.009 . 1 . . 196 . . 31 PRO C . 50196 1 166 . 1 . 1 31 31 PRO CA C 13 63.024 . . 1 . . 291 . . 31 PRO CA . 50196 1 167 . 1 . 1 31 31 PRO CB C 13 31.958 . . 1 . . 292 . . 31 PRO CB . 50196 1 168 . 1 . 1 32 32 VAL H H 1 8.237 0.001 . 1 . . 99 . . 32 VAL H . 50196 1 169 . 1 . 1 32 32 VAL HA H 1 4.174 0.0 . 1 . . 482 . . 32 VAL HA . 50196 1 170 . 1 . 1 32 32 VAL HB H 1 2.087 0.004 . 1 . . 481 . . 32 VAL HB . 50196 1 171 . 1 . 1 32 32 VAL HG11 H 1 0.945 0.0 . 2 . . 479 . . 32 VAL HG11 . 50196 1 172 . 1 . 1 32 32 VAL HG12 H 1 0.945 0.0 . 2 . . 479 . . 32 VAL HG12 . 50196 1 173 . 1 . 1 32 32 VAL HG13 H 1 0.945 0.0 . 2 . . 479 . . 32 VAL HG13 . 50196 1 174 . 1 . 1 32 32 VAL HG21 H 1 0.943 0.001 . 2 . . 480 . . 32 VAL HG21 . 50196 1 175 . 1 . 1 32 32 VAL HG22 H 1 0.943 0.001 . 2 . . 480 . . 32 VAL HG22 . 50196 1 176 . 1 . 1 32 32 VAL HG23 H 1 0.943 0.001 . 2 . . 480 . . 32 VAL HG23 . 50196 1 177 . 1 . 1 32 32 VAL C C 13 176.616 0.003 . 1 . . 233 . . 32 VAL C . 50196 1 178 . 1 . 1 32 32 VAL CA C 13 62.353 0.018 . 1 . . 361 . . 32 VAL CA . 50196 1 179 . 1 . 1 32 32 VAL CB C 13 32.783 0.02 . 1 . . 258 . . 32 VAL CB . 50196 1 180 . 1 . 1 32 32 VAL CG1 C 13 20.498 0.018 . 2 . . 477 . . 32 VAL CG1 . 50196 1 181 . 1 . 1 32 32 VAL CG2 C 13 21.295 0.01 . 2 . . 478 . . 32 VAL CG2 . 50196 1 182 . 1 . 1 32 32 VAL N N 15 120.209 0.016 . 1 . . 100 . . 32 VAL N . 50196 1 183 . 1 . 1 33 33 THR H H 1 8.228 0.001 . 1 . . 69 . . 33 THR H . 50196 1 184 . 1 . 1 33 33 THR C C 13 174.336 0.015 . 1 . . 209 . . 33 THR C . 50196 1 185 . 1 . 1 33 33 THR CA C 13 61.610 0.021 . 1 . . 343 . . 33 THR CA . 50196 1 186 . 1 . 1 33 33 THR CB C 13 69.881 0.011 . 1 . . 342 . . 33 THR CB . 50196 1 187 . 1 . 1 33 33 THR CG2 C 13 21.538 . . 1 . . 490 . . 33 THR CG2 . 50196 1 188 . 1 . 1 33 33 THR N N 15 117.225 0.024 . 1 . . 70 . . 33 THR N . 50196 1 189 . 1 . 1 34 34 ASN H H 1 8.449 0.001 . 1 . . 488 . . 34 ASN H . 50196 1 190 . 1 . 1 34 34 ASN C C 13 175.686 0.006 . 1 . . 200 . . 34 ASN C . 50196 1 191 . 1 . 1 34 34 ASN CA C 13 53.384 0.014 . 1 . . 272 . . 34 ASN CA . 50196 1 192 . 1 . 1 34 34 ASN CB C 13 38.941 0.023 . 1 . . 273 . . 34 ASN CB . 50196 1 193 . 1 . 1 34 34 ASN N N 15 121.028 0.019 . 1 . . 489 . . 34 ASN N . 50196 1 194 . 1 . 1 35 35 GLY H H 1 8.411 0.0 . 1 . . 113 . . 35 GLY H . 50196 1 195 . 1 . 1 35 35 GLY C C 13 174.224 0.007 . 1 . . 253 . . 35 GLY C . 50196 1 196 . 1 . 1 35 35 GLY CA C 13 45.568 0.005 . 1 . . 370 . . 35 GLY CA . 50196 1 197 . 1 . 1 35 35 GLY N N 15 109.168 0.011 . 1 . . 114 . . 35 GLY N . 50196 1 198 . 1 . 1 36 36 LYS H H 1 8.168 0.001 . 1 . . 147 . . 36 LYS H . 50196 1 199 . 1 . 1 36 36 LYS C C 13 177.051 0.019 . 1 . . 239 . . 36 LYS C . 50196 1 200 . 1 . 1 36 36 LYS CA C 13 56.303 0.014 . 1 . . 386 . . 36 LYS CA . 50196 1 201 . 1 . 1 36 36 LYS CB C 13 32.926 0.05 . 1 . . 424 . . 36 LYS CB . 50196 1 202 . 1 . 1 36 36 LYS N N 15 120.484 0.004 . 1 . . 148 . . 36 LYS N . 50196 1 203 . 1 . 1 37 37 GLY H H 1 8.410 0.003 . 1 . . 153 . . 37 GLY H . 50196 1 204 . 1 . 1 37 37 GLY C C 13 173.607 0.004 . 1 . . 205 . . 37 GLY C . 50196 1 205 . 1 . 1 37 37 GLY CA C 13 45.120 0.029 . 1 . . 390 . . 37 GLY CA . 50196 1 206 . 1 . 1 37 37 GLY N N 15 109.645 0.02 . 1 . . 154 . . 37 GLY N . 50196 1 207 . 1 . 1 38 38 ARG H H 1 8.151 0.001 . 1 . . 41 . . 38 ARG H . 50196 1 208 . 1 . 1 38 38 ARG C C 13 174.247 . . 1 . . 224 . . 38 ARG C . 50196 1 209 . 1 . 1 38 38 ARG CA C 13 53.994 . . 1 . . 325 . . 38 ARG CA . 50196 1 210 . 1 . 1 38 38 ARG CB C 13 30.344 . . 1 . . 411 . . 38 ARG CB . 50196 1 211 . 1 . 1 38 38 ARG N N 15 121.464 0.003 . 1 . . 42 . . 38 ARG N . 50196 1 212 . 1 . 1 39 39 PRO C C 13 176.738 0.004 . 1 . . 197 . . 39 PRO C . 50196 1 213 . 1 . 1 39 39 PRO CA C 13 63.143 0.002 . 1 . . 276 . . 39 PRO CA . 50196 1 214 . 1 . 1 39 39 PRO CB C 13 32.104 0.001 . 1 . . 277 . . 39 PRO CB . 50196 1 215 . 1 . 1 40 40 ALA H H 1 8.473 0.0 . 1 . . 27 . . 40 ALA H . 50196 1 216 . 1 . 1 40 40 ALA HA H 1 4.260 . . 1 . . 449 . . 40 ALA HA . 50196 1 217 . 1 . 1 40 40 ALA HB1 H 1 1.388 0.001 . 1 . . 448 . . 40 ALA HB1 . 50196 1 218 . 1 . 1 40 40 ALA HB2 H 1 1.388 0.001 . 1 . . 448 . . 40 ALA HB2 . 50196 1 219 . 1 . 1 40 40 ALA HB3 H 1 1.388 0.001 . 1 . . 448 . . 40 ALA HB3 . 50196 1 220 . 1 . 1 40 40 ALA C C 13 177.963 0.012 . 1 . . 234 . . 40 ALA C . 50196 1 221 . 1 . 1 40 40 ALA CA C 13 52.896 0.01 . 1 . . 316 . . 40 ALA CA . 50196 1 222 . 1 . 1 40 40 ALA CB C 13 19.185 0.037 . 1 . . 315 . . 40 ALA CB . 50196 1 223 . 1 . 1 40 40 ALA N N 15 124.498 0.005 . 1 . . 28 . . 40 ALA N . 50196 1 224 . 1 . 1 41 41 SER H H 1 8.214 0.001 . 1 . . 71 . . 41 SER H . 50196 1 225 . 1 . 1 41 41 SER C C 13 174.634 0.002 . 1 . . 232 . . 41 SER C . 50196 1 226 . 1 . 1 41 41 SER CA C 13 58.198 0.013 . 1 . . 344 . . 41 SER CA . 50196 1 227 . 1 . 1 41 41 SER CB C 13 63.790 0.011 . 1 . . 415 . . 41 SER CB . 50196 1 228 . 1 . 1 41 41 SER N N 15 114.147 0.012 . 1 . . 72 . . 41 SER N . 50196 1 229 . 1 . 1 42 42 LEU H H 1 8.215 0.002 . 1 . . 121 . . 42 LEU H . 50196 1 230 . 1 . 1 42 42 LEU C C 13 177.136 0.007 . 1 . . 244 . . 42 LEU C . 50196 1 231 . 1 . 1 42 42 LEU CA C 13 55.193 0.021 . 1 . . 374 . . 42 LEU CA . 50196 1 232 . 1 . 1 42 42 LEU CB C 13 42.305 0.031 . 1 . . 432 . . 42 LEU CB . 50196 1 233 . 1 . 1 42 42 LEU N N 15 124.152 0.021 . 1 . . 122 . . 42 LEU N . 50196 1 234 . 1 . 1 43 43 ALA H H 1 8.202 0.004 . 1 . . 117 . . 43 ALA H . 50196 1 235 . 1 . 1 43 43 ALA HA H 1 4.269 0.006 . 1 . . 450 . . 43 ALA HA . 50196 1 236 . 1 . 1 43 43 ALA HB1 H 1 1.374 0.0 . 1 . . 451 . . 43 ALA HB1 . 50196 1 237 . 1 . 1 43 43 ALA HB2 H 1 1.374 0.0 . 1 . . 451 . . 43 ALA HB2 . 50196 1 238 . 1 . 1 43 43 ALA HB3 H 1 1.374 0.0 . 1 . . 451 . . 43 ALA HB3 . 50196 1 239 . 1 . 1 43 43 ALA C C 13 178.196 0.004 . 1 . . 241 . . 43 ALA C . 50196 1 240 . 1 . 1 43 43 ALA CA C 13 52.905 0.025 . 1 . . 371 . . 43 ALA CA . 50196 1 241 . 1 . 1 43 43 ALA CB C 13 19.170 0.033 . 1 . . 413 . . 43 ALA CB . 50196 1 242 . 1 . 1 43 43 ALA N N 15 124.300 0.036 . 1 . . 118 . . 43 ALA N . 50196 1 243 . 1 . 1 44 44 GLY H H 1 8.294 0.001 . 1 . . 77 . . 44 GLY H . 50196 1 244 . 1 . 1 44 44 GLY C C 13 174.102 0.006 . 1 . . 238 . . 44 GLY C . 50196 1 245 . 1 . 1 44 44 GLY CA C 13 45.331 0.019 . 1 . . 346 . . 44 GLY CA . 50196 1 246 . 1 . 1 44 44 GLY N N 15 107.973 0.003 . 1 . . 78 . . 44 GLY N . 50196 1 247 . 1 . 1 45 45 ALA H H 1 8.078 0.0 . 1 . . 21 . . 45 ALA H . 50196 1 248 . 1 . 1 45 45 ALA HA H 1 4.264 0.002 . 1 . . 453 . . 45 ALA HA . 50196 1 249 . 1 . 1 45 45 ALA HB1 H 1 1.341 0.004 . 1 . . 452 . . 45 ALA HB1 . 50196 1 250 . 1 . 1 45 45 ALA HB2 H 1 1.341 0.004 . 1 . . 452 . . 45 ALA HB2 . 50196 1 251 . 1 . 1 45 45 ALA HB3 H 1 1.341 0.004 . 1 . . 452 . . 45 ALA HB3 . 50196 1 252 . 1 . 1 45 45 ALA C C 13 177.754 0.004 . 1 . . 250 . . 45 ALA C . 50196 1 253 . 1 . 1 45 45 ALA CA C 13 52.686 0.005 . 1 . . 311 . . 45 ALA CA . 50196 1 254 . 1 . 1 45 45 ALA CB C 13 19.333 0.024 . 1 . . 416 . . 45 ALA CB . 50196 1 255 . 1 . 1 45 45 ALA N N 15 123.573 0.002 . 1 . . 22 . . 45 ALA N . 50196 1 256 . 1 . 1 46 46 GLN H H 1 8.346 0.001 . 1 . . 133 . . 46 GLN H . 50196 1 257 . 1 . 1 46 46 GLN HE21 H 1 7.416 . . 1 . . 505 . . 46 GLN HE21 . 50196 1 258 . 1 . 1 46 46 GLN HE22 H 1 6.824 . . 1 . . 507 . . 46 GLN HE22 . 50196 1 259 . 1 . 1 46 46 GLN C C 13 175.744 0.005 . 1 . . 254 . . 46 GLN C . 50196 1 260 . 1 . 1 46 46 GLN CA C 13 55.962 0.009 . 1 . . 379 . . 46 GLN CA . 50196 1 261 . 1 . 1 46 46 GLN CB C 13 29.386 0.021 . 1 . . 378 . . 46 GLN CB . 50196 1 262 . 1 . 1 46 46 GLN N N 15 119.040 0.002 . 1 . . 134 . . 46 GLN N . 50196 1 263 . 1 . 1 46 46 GLN NE2 N 15 112.392 0.0 . 1 . . 506 . . 46 GLN NE2 . 50196 1 264 . 1 . 1 47 47 PHE H H 1 8.238 0.001 . 1 . . 143 . . 47 PHE H . 50196 1 265 . 1 . 1 47 47 PHE C C 13 176.252 0.005 . 1 . . 211 . . 47 PHE C . 50196 1 266 . 1 . 1 47 47 PHE CA C 13 57.756 0.025 . 1 . . 384 . . 47 PHE CA . 50196 1 267 . 1 . 1 47 47 PHE CB C 13 39.598 0.021 . 1 . . 404 . . 47 PHE CB . 50196 1 268 . 1 . 1 47 47 PHE N N 15 120.900 0.001 . 1 . . 144 . . 47 PHE N . 50196 1 269 . 1 . 1 48 48 GLY H H 1 8.340 0.001 . 1 . . 23 . . 48 GLY H . 50196 1 270 . 1 . 1 48 48 GLY C C 13 174.549 0.004 . 1 . . 230 . . 48 GLY C . 50196 1 271 . 1 . 1 48 48 GLY CA C 13 45.445 0.026 . 1 . . 312 . . 48 GLY CA . 50196 1 272 . 1 . 1 48 48 GLY N N 15 110.729 0.004 . 1 . . 24 . . 48 GLY N . 50196 1 273 . 1 . 1 49 49 GLY H H 1 8.031 0.001 . 1 . . 123 . . 49 GLY H . 50196 1 274 . 1 . 1 49 49 GLY C C 13 174.288 0.002 . 1 . . 245 . . 49 GLY C . 50196 1 275 . 1 . 1 49 49 GLY CA C 13 45.307 0.026 . 1 . . 375 . . 49 GLY CA . 50196 1 276 . 1 . 1 49 49 GLY N N 15 108.518 0.003 . 1 . . 124 . . 49 GLY N . 50196 1 277 . 1 . 1 50 50 SER H H 1 8.411 0.001 . 1 . . 49 . . 50 SER H . 50196 1 278 . 1 . 1 50 50 SER C C 13 175.177 0.004 . 1 . . 225 . . 50 SER C . 50196 1 279 . 1 . 1 50 50 SER CA C 13 58.575 0.02 . 1 . . 331 . . 50 SER CA . 50196 1 280 . 1 . 1 50 50 SER CB C 13 64.060 0.021 . 1 . . 419 . . 50 SER CB . 50196 1 281 . 1 . 1 50 50 SER N N 15 115.742 0.004 . 1 . . 50 . . 50 SER N . 50196 1 282 . 1 . 1 51 51 GLY H H 1 8.595 0.0 . 1 . . 87 . . 51 GLY H . 50196 1 283 . 1 . 1 51 51 GLY C C 13 174.258 0.016 . 1 . . 356 . . 51 GLY C . 50196 1 284 . 1 . 1 51 51 GLY CA C 13 45.439 0.056 . 1 . . 353 . . 51 GLY CA . 50196 1 285 . 1 . 1 51 51 GLY N N 15 111.121 0.002 . 1 . . 88 . . 51 GLY N . 50196 1 286 . 1 . 1 52 52 LEU H H 1 8.109 0.001 . 1 . . 91 . . 52 LEU H . 50196 1 287 . 1 . 1 52 52 LEU C C 13 177.553 . . 1 . . 175 . . 52 LEU C . 50196 1 288 . 1 . 1 52 52 LEU CA C 13 55.283 0.037 . 1 . . 357 . . 52 LEU CA . 50196 1 289 . 1 . 1 52 52 LEU CB C 13 42.437 0.031 . 1 . . 447 . . 52 LEU CB . 50196 1 290 . 1 . 1 52 52 LEU N N 15 121.387 0.033 . 1 . . 92 . . 52 LEU N . 50196 1 291 . 1 . 1 53 53 GLU H H 1 8.491 0.0 . 1 . . 176 . . 53 GLU H . 50196 1 292 . 1 . 1 53 53 GLU C C 13 176.061 . . 1 . . 248 . . 53 GLU C . 50196 1 293 . 1 . 1 53 53 GLU CA C 13 56.731 0.02 . 1 . . 398 . . 53 GLU CA . 50196 1 294 . 1 . 1 53 53 GLU CB C 13 30.162 0.005 . 1 . . 427 . . 53 GLU CB . 50196 1 295 . 1 . 1 53 53 GLU N N 15 120.680 0.001 . 1 . . 177 . . 53 GLU N . 50196 1 296 . 1 . 1 54 54 ASP H H 1 8.286 0.0 . 1 . . 119 . . 54 ASP H . 50196 1 297 . 1 . 1 54 54 ASP C C 13 175.666 0.004 . 1 . . 221 . . 54 ASP C . 50196 1 298 . 1 . 1 54 54 ASP CA C 13 54.271 0.007 . 1 . . 373 . . 54 ASP CA . 50196 1 299 . 1 . 1 54 54 ASP CB C 13 41.092 0.044 . 1 . . 372 . . 54 ASP CB . 50196 1 300 . 1 . 1 54 54 ASP N N 15 121.233 0.004 . 1 . . 120 . . 54 ASP N . 50196 1 301 . 1 . 1 55 55 ARG H H 1 8.104 0.001 . 1 . . 89 . . 55 ARG H . 50196 1 302 . 1 . 1 55 55 ARG C C 13 174.033 . . 1 . . 174 . . 55 ARG C . 50196 1 303 . 1 . 1 55 55 ARG CA C 13 53.966 . . 1 . . 355 . . 55 ARG CA . 50196 1 304 . 1 . 1 55 55 ARG CB C 13 30.410 . . 1 . . 354 . . 55 ARG CB . 50196 1 305 . 1 . 1 55 55 ARG N N 15 121.660 0.004 . 1 . . 90 . . 55 ARG N . 50196 1 306 . 1 . 1 56 56 PRO C C 13 177.180 0.003 . 1 . . 182 . . 56 PRO C . 50196 1 307 . 1 . 1 56 56 PRO CA C 13 63.138 0.049 . 1 . . 428 . . 56 PRO CA . 50196 1 308 . 1 . 1 56 56 PRO CB C 13 32.149 0.025 . 1 . . 298 . . 56 PRO CB . 50196 1 309 . 1 . 1 57 57 SER H H 1 8.508 0.001 . 1 . . 149 . . 57 SER H . 50196 1 310 . 1 . 1 57 57 SER C C 13 174.870 0.008 . 1 . . 206 . . 57 SER C . 50196 1 311 . 1 . 1 57 57 SER CA C 13 58.538 0.031 . 1 . . 388 . . 57 SER CA . 50196 1 312 . 1 . 1 57 57 SER CB C 13 63.821 0.005 . 1 . . 387 . . 57 SER CB . 50196 1 313 . 1 . 1 57 57 SER N N 15 116.345 0.004 . 1 . . 150 . . 57 SER N . 50196 1 314 . 1 . 1 58 58 SER H H 1 8.305 0.003 . 1 . . 145 . . 58 SER H . 50196 1 315 . 1 . 1 58 58 SER C C 13 174.918 0.029 . 1 . . 204 . . 58 SER C . 50196 1 316 . 1 . 1 58 58 SER CA C 13 58.518 0.013 . 1 . . 385 . . 58 SER CA . 50196 1 317 . 1 . 1 58 58 SER CB C 13 63.868 0.031 . 1 . . 423 . . 58 SER CB . 50196 1 318 . 1 . 1 58 58 SER N N 15 117.333 0.083 . 1 . . 146 . . 58 SER N . 50196 1 319 . 1 . 1 59 59 GLY H H 1 8.300 0.001 . 1 . . 103 . . 59 GLY H . 50196 1 320 . 1 . 1 59 59 GLY C C 13 174.017 0.006 . 1 . . 235 . . 59 GLY C . 50196 1 321 . 1 . 1 59 59 GLY CA C 13 45.352 0.015 . 1 . . 363 . . 59 GLY CA . 50196 1 322 . 1 . 1 59 59 GLY N N 15 110.374 0.01 . 1 . . 104 . . 59 GLY N . 50196 1 323 . 1 . 1 60 60 SER H H 1 8.089 0.0 . 1 . . 75 . . 60 SER H . 50196 1 324 . 1 . 1 60 60 SER C C 13 174.298 0.006 . 1 . . 201 . . 60 SER C . 50196 1 325 . 1 . 1 60 60 SER CA C 13 58.193 0.004 . 1 . . 345 . . 60 SER CA . 50196 1 326 . 1 . 1 60 60 SER CB C 13 63.800 0.026 . 1 . . 403 . . 60 SER CB . 50196 1 327 . 1 . 1 60 60 SER N N 15 115.451 0.006 . 1 . . 76 . . 60 SER N . 50196 1 328 . 1 . 1 61 61 TRP H H 1 8.195 0.002 . 1 . . 61 . . 61 TRP H . 50196 1 329 . 1 . 1 61 61 TRP C C 13 176.728 0.003 . 1 . . 215 . . 61 TRP C . 50196 1 330 . 1 . 1 61 61 TRP CA C 13 57.587 0.067 . 1 . . 339 . . 61 TRP CA . 50196 1 331 . 1 . 1 61 61 TRP CB C 13 29.687 0.021 . 1 . . 406 . . 61 TRP CB . 50196 1 332 . 1 . 1 61 61 TRP N N 15 122.978 0.024 . 1 . . 62 . . 61 TRP N . 50196 1 333 . 1 . 1 62 62 GLY H H 1 8.267 0.0 . 1 . . 139 . . 62 GLY H . 50196 1 334 . 1 . 1 62 62 GLY C C 13 174.123 0.004 . 1 . . 219 . . 62 GLY C . 50196 1 335 . 1 . 1 62 62 GLY CA C 13 45.398 0.016 . 1 . . 382 . . 62 GLY CA . 50196 1 336 . 1 . 1 62 62 GLY N N 15 110.729 0.003 . 1 . . 140 . . 62 GLY N . 50196 1 337 . 1 . 1 63 63 SER H H 1 8.181 0.001 . 1 . . 29 . . 63 SER H . 50196 1 338 . 1 . 1 63 63 SER C C 13 175.162 0.008 . 1 . . 255 . . 63 SER C . 50196 1 339 . 1 . 1 63 63 SER CA C 13 58.506 0.01 . 1 . . 317 . . 63 SER CA . 50196 1 340 . 1 . 1 63 63 SER CB C 13 63.945 0.003 . 1 . . 401 . . 63 SER CB . 50196 1 341 . 1 . 1 63 63 SER N N 15 115.525 0.004 . 1 . . 30 . . 63 SER N . 50196 1 342 . 1 . 1 64 64 GLY H H 1 8.462 0.0 . 1 . . 39 . . 64 GLY H . 50196 1 343 . 1 . 1 64 64 GLY C C 13 173.974 0.004 . 1 . . 216 . . 64 GLY C . 50196 1 344 . 1 . 1 64 64 GLY CA C 13 45.447 0.013 . 1 . . 324 . . 64 GLY CA . 50196 1 345 . 1 . 1 64 64 GLY N N 15 110.796 0.003 . 1 . . 40 . . 64 GLY N . 50196 1 346 . 1 . 1 65 65 ASP H H 1 8.221 0.001 . 1 . . 35 . . 65 ASP H . 50196 1 347 . 1 . 1 65 65 ASP C C 13 176.585 0.009 . 1 . . 322 . . 65 ASP C . 50196 1 348 . 1 . 1 65 65 ASP CA C 13 54.419 0.06 . 1 . . 321 . . 65 ASP CA . 50196 1 349 . 1 . 1 65 65 ASP CB C 13 41.214 0.032 . 1 . . 426 . . 65 ASP CB . 50196 1 350 . 1 . 1 65 65 ASP N N 15 120.451 0.006 . 1 . . 36 . . 65 ASP N . 50196 1 351 . 1 . 1 66 66 GLN H H 1 8.424 0.0 . 1 . . 433 . . 66 GLN H . 50196 1 352 . 1 . 1 66 66 GLN HE21 H 1 6.792 . . 1 . . 128 . . 66 GLN HE21 . 50196 1 353 . 1 . 1 66 66 GLN HE22 H 1 7.449 . . 1 . . 130 . . 66 GLN HE22 . 50196 1 354 . 1 . 1 66 66 GLN C C 13 176.319 0.008 . 1 . . 437 . . 66 GLN C . 50196 1 355 . 1 . 1 66 66 GLN CA C 13 56.120 0.017 . 1 . . 435 . . 66 GLN CA . 50196 1 356 . 1 . 1 66 66 GLN CB C 13 29.141 0.034 . 1 . . 436 . . 66 GLN CB . 50196 1 357 . 1 . 1 66 66 GLN N N 15 120.887 0.006 . 1 . . 434 . . 66 GLN N . 50196 1 358 . 1 . 1 66 66 GLN NE2 N 15 112.456 0.001 . 1 . . 129 . . 66 GLN NE2 . 50196 1 359 . 1 . 1 67 67 SER H H 1 8.376 0.0 . 1 . . 31 . . 67 SER H . 50196 1 360 . 1 . 1 67 67 SER C C 13 174.920 . . 1 . . 501 . . 67 SER C . 50196 1 361 . 1 . 1 67 67 SER CA C 13 58.902 . . 1 . . 319 . . 67 SER CA . 50196 1 362 . 1 . 1 67 67 SER CB C 13 63.813 . . 1 . . 318 . . 67 SER CB . 50196 1 363 . 1 . 1 67 67 SER N N 15 116.545 0.008 . 1 . . 32 . . 67 SER N . 50196 1 364 . 1 . 1 69 69 SER C C 13 174.578 . . 1 . . 300 . . 69 SER C . 50196 1 365 . 1 . 1 69 69 SER CA C 13 58.480 . . 1 . . 271 . . 69 SER CA . 50196 1 366 . 1 . 1 69 69 SER CB C 13 63.818 . . 1 . . 497 . . 69 SER CB . 50196 1 367 . 1 . 1 70 70 SER H H 1 8.200 0.0 . 1 . . 256 . . 70 SER H . 50196 1 368 . 1 . 1 70 70 SER C C 13 173.870 0.011 . 1 . . 302 . . 70 SER C . 50196 1 369 . 1 . 1 70 70 SER CA C 13 58.459 . . 1 . . 269 . . 70 SER CA . 50196 1 370 . 1 . 1 70 70 SER CB C 13 63.790 0.024 . 1 . . 412 . . 70 SER CB . 50196 1 371 . 1 . 1 70 70 SER N N 15 117.356 0.002 . 1 . . 257 . . 70 SER N . 50196 1 372 . 1 . 1 71 71 PHE H H 1 8.102 0.0 . 1 . . 109 . . 71 PHE H . 50196 1 373 . 1 . 1 71 71 PHE C C 13 174.538 0.006 . 1 . . 198 . . 71 PHE C . 50196 1 374 . 1 . 1 71 71 PHE CA C 13 57.705 0.005 . 1 . . 367 . . 71 PHE CA . 50196 1 375 . 1 . 1 71 71 PHE CB C 13 39.786 0.017 . 1 . . 274 . . 71 PHE CB . 50196 1 376 . 1 . 1 71 71 PHE N N 15 122.087 0.005 . 1 . . 110 . . 71 PHE N . 50196 1 377 . 1 . 1 72 72 ASP H H 1 8.088 0.001 . 1 . . 85 . . 72 ASP H . 50196 1 378 . 1 . 1 72 72 ASP C C 13 174.760 . . 1 . . 246 . . 72 ASP C . 50196 1 379 . 1 . 1 72 72 ASP CA C 13 51.211 . . 1 . . 352 . . 72 ASP CA . 50196 1 380 . 1 . 1 72 72 ASP CB C 13 41.746 . . 1 . . 351 . . 72 ASP CB . 50196 1 381 . 1 . 1 72 72 ASP N N 15 124.159 0.003 . 1 . . 86 . . 72 ASP N . 50196 1 382 . 1 . 1 73 73 PRO C C 13 177.321 0.001 . 1 . . 183 . . 73 PRO C . 50196 1 383 . 1 . 1 73 73 PRO CA C 13 63.810 . . 1 . . 287 . . 73 PRO CA . 50196 1 384 . 1 . 1 73 73 PRO CB C 13 32.131 0.009 . 1 . . 288 . . 73 PRO CB . 50196 1 385 . 1 . 1 74 74 SER H H 1 8.375 0.0 . 1 . . 155 . . 74 SER H . 50196 1 386 . 1 . 1 74 74 SER C C 13 174.847 0.007 . 1 . . 207 . . 74 SER C . 50196 1 387 . 1 . 1 74 74 SER CA C 13 59.534 0.018 . 1 . . 391 . . 74 SER CA . 50196 1 388 . 1 . 1 74 74 SER CB C 13 63.593 0.034 . 1 . . 445 . . 74 SER CB . 50196 1 389 . 1 . 1 74 74 SER N N 15 114.858 0.003 . 1 . . 156 . . 74 SER N . 50196 1 390 . 1 . 1 75 75 ARG H H 1 7.759 0.0 . 1 . . 107 . . 75 ARG H . 50196 1 391 . 1 . 1 75 75 ARG HA H 1 4.331 0.002 . 1 . . 465 . . 75 ARG HA . 50196 1 392 . 1 . 1 75 75 ARG HB2 H 1 1.836 0.004 . 2 . . 467 . . 75 ARG HB2 . 50196 1 393 . 1 . 1 75 75 ARG HB3 H 1 1.711 0.003 . 2 . . 468 . . 75 ARG HB3 . 50196 1 394 . 1 . 1 75 75 ARG HG2 H 1 1.510 0.0 . 2 . . 469 . . 75 ARG HG2 . 50196 1 395 . 1 . 1 75 75 ARG HG3 H 1 1.552 0.0 . 2 . . 470 . . 75 ARG HG3 . 50196 1 396 . 1 . 1 75 75 ARG HD2 H 1 3.127 0.001 . 1 . . 466 . . 75 ARG HD2 . 50196 1 397 . 1 . 1 75 75 ARG C C 13 176.179 0.004 . 1 . . 189 . . 75 ARG C . 50196 1 398 . 1 . 1 75 75 ARG CA C 13 56.183 0.013 . 1 . . 366 . . 75 ARG CA . 50196 1 399 . 1 . 1 75 75 ARG CB C 13 30.686 0.026 . 1 . . 279 . . 75 ARG CB . 50196 1 400 . 1 . 1 75 75 ARG CG C 13 27.085 0.005 . 1 . . 464 . . 75 ARG CG . 50196 1 401 . 1 . 1 75 75 ARG CD C 13 43.317 0.003 . 1 . . 463 . . 75 ARG CD . 50196 1 402 . 1 . 1 75 75 ARG N N 15 122.029 0.004 . 1 . . 108 . . 75 ARG N . 50196 1 403 . 1 . 1 76 76 THR H H 1 7.948 0.002 . 1 . . 111 . . 76 THR H . 50196 1 404 . 1 . 1 76 76 THR C C 13 174.306 0.008 . 1 . . 212 . . 76 THR C . 50196 1 405 . 1 . 1 76 76 THR CA C 13 62.163 0.028 . 1 . . 369 . . 76 THR CA . 50196 1 406 . 1 . 1 76 76 THR CB C 13 69.824 0.005 . 1 . . 368 . . 76 THR CB . 50196 1 407 . 1 . 1 76 76 THR CG2 C 13 21.560 . . 1 . . 486 . . 76 THR CG2 . 50196 1 408 . 1 . 1 76 76 THR N N 15 114.666 0.005 . 1 . . 112 . . 76 THR N . 50196 1 409 . 1 . 1 77 77 PHE H H 1 8.251 0.002 . 1 . . 33 . . 77 PHE H . 50196 1 410 . 1 . 1 77 77 PHE C C 13 175.787 0.005 . 1 . . 231 . . 77 PHE C . 50196 1 411 . 1 . 1 77 77 PHE CA C 13 57.773 0.034 . 1 . . 320 . . 77 PHE CA . 50196 1 412 . 1 . 1 77 77 PHE CB C 13 39.624 0.01 . 1 . . 420 . . 77 PHE CB . 50196 1 413 . 1 . 1 77 77 PHE N N 15 122.308 0.004 . 1 . . 34 . . 77 PHE N . 50196 1 414 . 1 . 1 78 78 SER H H 1 8.197 0.001 . 1 . . 157 . . 78 SER H . 50196 1 415 . 1 . 1 78 78 SER C C 13 174.397 0.005 . 1 . . 301 . . 78 SER C . 50196 1 416 . 1 . 1 78 78 SER CA C 13 58.335 0.033 . 1 . . 393 . . 78 SER CA . 50196 1 417 . 1 . 1 78 78 SER CB C 13 63.907 0.043 . 1 . . 392 . . 78 SER CB . 50196 1 418 . 1 . 1 78 78 SER N N 15 117.323 0.012 . 1 . . 158 . . 78 SER N . 50196 1 419 . 1 . 1 79 79 GLU H H 1 8.423 0.0 . 1 . . 151 . . 79 GLU H . 50196 1 420 . 1 . 1 79 79 GLU C C 13 176.965 0.006 . 1 . . 218 . . 79 GLU C . 50196 1 421 . 1 . 1 79 79 GLU CA C 13 56.976 0.016 . 1 . . 389 . . 79 GLU CA . 50196 1 422 . 1 . 1 79 79 GLU CB C 13 30.223 0.037 . 1 . . 407 . . 79 GLU CB . 50196 1 423 . 1 . 1 79 79 GLU N N 15 122.924 0.003 . 1 . . 152 . . 79 GLU N . 50196 1 424 . 1 . 1 80 80 GLY H H 1 8.385 0.001 . 1 . . 1 . . 80 GLY H . 50196 1 425 . 1 . 1 80 80 GLY C C 13 174.308 0.005 . 1 . . 163 . . 80 GLY C . 50196 1 426 . 1 . 1 80 80 GLY CA C 13 45.373 0.011 . 1 . . 303 . . 80 GLY CA . 50196 1 427 . 1 . 1 80 80 GLY N N 15 109.513 0.016 . 1 . . 2 . . 80 GLY N . 50196 1 428 . 1 . 1 81 81 THR H H 1 7.965 0.001 . 1 . . 141 . . 81 THR H . 50196 1 429 . 1 . 1 81 81 THR C C 13 174.360 . . 1 . . 249 . . 81 THR C . 50196 1 430 . 1 . 1 81 81 THR CA C 13 61.995 0.008 . 1 . . 383 . . 81 THR CA . 50196 1 431 . 1 . 1 81 81 THR CB C 13 69.766 0.001 . 1 . . 425 . . 81 THR CB . 50196 1 432 . 1 . 1 81 81 THR N N 15 113.375 0.01 . 1 . . 142 . . 81 THR N . 50196 1 433 . 1 . 1 82 82 HIS H H 1 8.435 0.002 . 1 . . 491 . . 82 HIS H . 50196 1 434 . 1 . 1 82 82 HIS C C 13 174.169 0.003 . 1 . . 167 . . 82 HIS C . 50196 1 435 . 1 . 1 82 82 HIS CA C 13 55.351 0.005 . 1 . . 259 . . 82 HIS CA . 50196 1 436 . 1 . 1 82 82 HIS CB C 13 29.250 . . 1 . . 260 . . 82 HIS CB . 50196 1 437 . 1 . 1 82 82 HIS N N 15 120.852 0.0 . 1 . . 492 . . 82 HIS N . 50196 1 438 . 1 . 1 83 83 PHE H H 1 8.301 0.001 . 1 . . 7 . . 83 PHE H . 50196 1 439 . 1 . 1 83 83 PHE C C 13 175.854 0.004 . 1 . . 168 . . 83 PHE C . 50196 1 440 . 1 . 1 83 83 PHE CA C 13 58.081 0.028 . 1 . . 296 . . 83 PHE CA . 50196 1 441 . 1 . 1 83 83 PHE CB C 13 39.675 0.029 . 1 . . 297 . . 83 PHE CB . 50196 1 442 . 1 . 1 83 83 PHE N N 15 122.029 0.003 . 1 . . 8 . . 83 PHE N . 50196 1 443 . 1 . 1 84 84 THR H H 1 8.128 0.0 . 1 . . 25 . . 84 THR H . 50196 1 444 . 1 . 1 84 84 THR C C 13 174.169 0.008 . 1 . . 226 . . 84 THR C . 50196 1 445 . 1 . 1 84 84 THR CA C 13 61.839 . . 1 . . 314 . . 84 THR CA . 50196 1 446 . 1 . 1 84 84 THR CB C 13 69.900 0.019 . 1 . . 313 . . 84 THR CB . 50196 1 447 . 1 . 1 84 84 THR CG2 C 13 21.601 . . 1 . . 483 . . 84 THR CG2 . 50196 1 448 . 1 . 1 84 84 THR N N 15 116.194 0.004 . 1 . . 26 . . 84 THR N . 50196 1 449 . 1 . 1 85 85 GLU H H 1 8.382 0.001 . 1 . . 101 . . 85 GLU H . 50196 1 450 . 1 . 1 85 85 GLU C C 13 176.363 0.005 . 1 . . 214 . . 85 GLU C . 50196 1 451 . 1 . 1 85 85 GLU CA C 13 56.696 0.031 . 1 . . 362 . . 85 GLU CA . 50196 1 452 . 1 . 1 85 85 GLU CB C 13 30.346 0.035 . 1 . . 418 . . 85 GLU CB . 50196 1 453 . 1 . 1 85 85 GLU N N 15 123.382 0.005 . 1 . . 102 . . 85 GLU N . 50196 1 454 . 1 . 1 86 86 SER H H 1 8.335 0.0 . 1 . . 438 . . 86 SER H . 50196 1 455 . 1 . 1 86 86 SER C C 13 174.508 . . 1 . . 442 . . 86 SER C . 50196 1 456 . 1 . 1 86 86 SER CA C 13 58.415 0.001 . 1 . . 441 . . 86 SER CA . 50196 1 457 . 1 . 1 86 86 SER CB C 13 63.783 0.072 . 1 . . 440 . . 86 SER CB . 50196 1 458 . 1 . 1 86 86 SER N N 15 116.746 0.014 . 1 . . 439 . . 86 SER N . 50196 1 459 . 1 . 1 87 87 HIS H H 1 8.514 0.001 . 1 . . 493 . . 87 HIS H . 50196 1 460 . 1 . 1 87 87 HIS N N 15 120.755 0.032 . 1 . . 494 . . 87 HIS N . 50196 1 461 . 1 . 1 88 88 SER C C 13 174.642 . . 1 . . 498 . . 88 SER C . 50196 1 462 . 1 . 1 88 88 SER CA C 13 58.455 . . 1 . . 499 . . 88 SER CA . 50196 1 463 . 1 . 1 88 88 SER CB C 13 63.901 . . 1 . . 500 . . 88 SER CB . 50196 1 464 . 1 . 1 89 89 SER H H 1 8.469 0.0 . 1 . . 93 . . 89 SER H . 50196 1 465 . 1 . 1 89 89 SER C C 13 174.619 0.008 . 1 . . 187 . . 89 SER C . 50196 1 466 . 1 . 1 89 89 SER CA C 13 58.508 0.028 . 1 . . 358 . . 89 SER CA . 50196 1 467 . 1 . 1 89 89 SER CB C 13 63.746 0.035 . 1 . . 421 . . 89 SER CB . 50196 1 468 . 1 . 1 89 89 SER N N 15 118.172 0.006 . 1 . . 94 . . 89 SER N . 50196 1 469 . 1 . 1 90 90 LEU H H 1 8.266 0.0 . 1 . . 47 . . 90 LEU H . 50196 1 470 . 1 . 1 90 90 LEU C C 13 177.610 0.004 . 1 . . 191 . . 90 LEU C . 50196 1 471 . 1 . 1 90 90 LEU CA C 13 55.448 0.009 . 1 . . 330 . . 90 LEU CA . 50196 1 472 . 1 . 1 90 90 LEU CB C 13 42.344 0.034 . 1 . . 280 . . 90 LEU CB . 50196 1 473 . 1 . 1 90 90 LEU N N 15 123.778 0.006 . 1 . . 48 . . 90 LEU N . 50196 1 474 . 1 . 1 91 91 SER H H 1 8.274 0.001 . 1 . . 81 . . 91 SER H . 50196 1 475 . 1 . 1 91 91 SER C C 13 174.713 0.01 . 1 . . 217 . . 91 SER C . 50196 1 476 . 1 . 1 91 91 SER CA C 13 58.421 . . 1 . . 349 . . 91 SER CA . 50196 1 477 . 1 . 1 91 91 SER CB C 13 63.758 0.001 . 1 . . 417 . . 91 SER CB . 50196 1 478 . 1 . 1 91 91 SER N N 15 116.197 0.004 . 1 . . 82 . . 91 SER N . 50196 1 479 . 1 . 1 92 92 SER H H 1 8.308 0.0 . 1 . . 495 . . 92 SER H . 50196 1 480 . 1 . 1 92 92 SER C C 13 174.757 . . 1 . . 510 . . 92 SER C . 50196 1 481 . 1 . 1 92 92 SER CA C 13 58.601 . . 1 . . 512 . . 92 SER CA . 50196 1 482 . 1 . 1 92 92 SER CB C 13 63.848 . . 1 . . 511 . . 92 SER CB . 50196 1 483 . 1 . 1 92 92 SER N N 15 117.598 0.001 . 1 . . 496 . . 92 SER N . 50196 1 484 . 1 . 1 93 93 SER H H 1 8.335 0.002 . 1 . . 508 . . 93 SER H . 50196 1 485 . 1 . 1 93 93 SER C C 13 174.677 0.006 . 1 . . 194 . . 93 SER C . 50196 1 486 . 1 . 1 93 93 SER CA C 13 58.616 0.026 . 1 . . 266 . . 93 SER CA . 50196 1 487 . 1 . 1 93 93 SER CB C 13 63.825 0.047 . 1 . . 410 . . 93 SER CB . 50196 1 488 . 1 . 1 93 93 SER N N 15 117.607 0.004 . 1 . . 509 . . 93 SER N . 50196 1 489 . 1 . 1 94 94 THR H H 1 8.062 0.001 . 1 . . 95 . . 94 THR H . 50196 1 490 . 1 . 1 94 94 THR C C 13 174.086 0.007 . 1 . . 228 . . 94 THR C . 50196 1 491 . 1 . 1 94 94 THR CA C 13 62.141 0.031 . 1 . . 409 . . 94 THR CA . 50196 1 492 . 1 . 1 94 94 THR CB C 13 69.682 0.011 . 1 . . 484 . . 94 THR CB . 50196 1 493 . 1 . 1 94 94 THR CG2 C 13 21.538 . . 1 . . 485 . . 94 THR CG2 . 50196 1 494 . 1 . 1 94 94 THR N N 15 115.777 0.009 . 1 . . 96 . . 94 THR N . 50196 1 495 . 1 . 1 95 95 PHE H H 1 8.179 0.002 . 1 . . 19 . . 95 PHE H . 50196 1 496 . 1 . 1 95 95 PHE C C 13 175.282 0.007 . 1 . . 210 . . 95 PHE C . 50196 1 497 . 1 . 1 95 95 PHE CA C 13 57.793 0.034 . 1 . . 310 . . 95 PHE CA . 50196 1 498 . 1 . 1 95 95 PHE CB C 13 39.564 0.021 . 1 . . 408 . . 95 PHE CB . 50196 1 499 . 1 . 1 95 95 PHE N N 15 122.809 0.004 . 1 . . 20 . . 95 PHE N . 50196 1 500 . 1 . 1 96 96 LEU H H 1 8.149 0.0 . 1 . . 51 . . 96 LEU H . 50196 1 501 . 1 . 1 96 96 LEU C C 13 176.945 0.004 . 1 . . 252 . . 96 LEU C . 50196 1 502 . 1 . 1 96 96 LEU CA C 13 54.846 0.002 . 1 . . 333 . . 96 LEU CA . 50196 1 503 . 1 . 1 96 96 LEU CB C 13 42.754 0.038 . 1 . . 332 . . 96 LEU CB . 50196 1 504 . 1 . 1 96 96 LEU N N 15 124.662 0.006 . 1 . . 52 . . 96 LEU N . 50196 1 505 . 1 . 1 97 97 GLY H H 1 7.660 0.0 . 1 . . 83 . . 97 GLY H . 50196 1 506 . 1 . 1 97 97 GLY C C 13 171.580 . . 1 . . 242 . . 97 GLY C . 50196 1 507 . 1 . 1 97 97 GLY CA C 13 44.626 . . 1 . . 350 . . 97 GLY CA . 50196 1 508 . 1 . 1 97 97 GLY N N 15 108.917 0.003 . 1 . . 84 . . 97 GLY N . 50196 1 509 . 1 . 1 98 98 PRO C C 13 177.767 0.006 . 1 . . 184 . . 98 PRO C . 50196 1 510 . 1 . 1 98 98 PRO CA C 13 63.463 0.006 . 1 . . 443 . . 98 PRO CA . 50196 1 511 . 1 . 1 98 98 PRO CB C 13 32.113 . . 1 . . 265 . . 98 PRO CB . 50196 1 512 . 1 . 1 99 99 GLY H H 1 8.510 0.001 . 1 . . 37 . . 99 GLY H . 50196 1 513 . 1 . 1 99 99 GLY C C 13 174.315 0.0 . 1 . . 208 . . 99 GLY C . 50196 1 514 . 1 . 1 99 99 GLY CA C 13 45.385 0.0 . 1 . . 323 . . 99 GLY CA . 50196 1 515 . 1 . 1 99 99 GLY N N 15 109.511 0.003 . 1 . . 38 . . 99 GLY N . 50196 1 516 . 1 . 1 100 100 LEU H H 1 8.108 0.001 . 1 . . 15 . . 100 LEU H . 50196 1 517 . 1 . 1 100 100 LEU C C 13 177.864 0.005 . 1 . . 181 . . 100 LEU C . 50196 1 518 . 1 . 1 100 100 LEU CA C 13 55.259 . . 1 . . 444 . . 100 LEU CA . 50196 1 519 . 1 . 1 100 100 LEU CB C 13 42.450 . . 1 . . 275 . . 100 LEU CB . 50196 1 520 . 1 . 1 100 100 LEU N N 15 121.453 0.027 . 1 . . 16 . . 100 LEU N . 50196 1 521 . 1 . 1 101 101 GLY H H 1 8.453 0.0 . 1 . . 57 . . 101 GLY H . 50196 1 522 . 1 . 1 101 101 GLY C C 13 173.696 0.005 . 1 . . 202 . . 101 GLY C . 50196 1 523 . 1 . 1 101 101 GLY CA C 13 45.342 0.014 . 1 . . 336 . . 101 GLY CA . 50196 1 524 . 1 . 1 101 101 GLY N N 15 109.759 0.005 . 1 . . 58 . . 101 GLY N . 50196 1 525 . 1 . 1 102 102 GLY H H 1 7.888 0.0 . 1 . . 13 . . 102 GLY H . 50196 1 526 . 1 . 1 102 102 GLY C C 13 179.065 . . 1 . . 240 . . 102 GLY C . 50196 1 527 . 1 . 1 102 102 GLY CA C 13 45.984 . . 1 . . 307 . . 102 GLY CA . 50196 1 528 . 1 . 1 102 102 GLY N N 15 115.142 0.003 . 1 . . 14 . . 102 GLY N . 50196 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 50196 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'peak list' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 5995.20019531 Hz . . . . . . 50196 1 2 . . N 15 15N . aliased 1519.56396484 Hz . . . . . . 50196 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 50196 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50196 1 2 1.0 . . 50196 1 3 1.0 . . 50196 1 4 1.0 . . 50196 1 5 1.0 . . 50196 1 6 1.0 . . 50196 1 7 1.0 . . 50196 1 8 1.0 . . 50196 1 9 1.0 . . 50196 1 10 1.0 . . 50196 1 11 1.0 . . 50196 1 12 1.0 . . 50196 1 13 1.0 . . 50196 1 14 1.0 . . 50196 1 15 1.0 . . 50196 1 16 1.0 . . 50196 1 17 1.0 . . 50196 1 18 1.0 . . 50196 1 19 1.0 . . 50196 1 20 1.0 . . 50196 1 21 1.0 . . 50196 1 22 1.0 . . 50196 1 23 1.0 . . 50196 1 24 1.0 . . 50196 1 25 1.0 . . 50196 1 26 1.0 . . 50196 1 27 1.0 . . 50196 1 28 1.0 . . 50196 1 29 1.0 . . 50196 1 30 1.0 . . 50196 1 31 1.0 . . 50196 1 32 1.0 . . 50196 1 33 1.0 . . 50196 1 34 1.0 . . 50196 1 35 1.0 . . 50196 1 36 1.0 . . 50196 1 37 1.0 . . 50196 1 38 1.0 . . 50196 1 39 1.0 . . 50196 1 40 1.0 . . 50196 1 41 1.0 . . 50196 1 42 1.0 . . 50196 1 43 1.0 . . 50196 1 44 1.0 . . 50196 1 45 1.0 . . 50196 1 46 1.0 . . 50196 1 47 1.0 . . 50196 1 48 1.0 . . 50196 1 49 1.0 . . 50196 1 50 1.0 . . 50196 1 51 1.0 . . 50196 1 52 1.0 . . 50196 1 53 1.0 . . 50196 1 54 1.0 . . 50196 1 55 1.0 . . 50196 1 56 1.0 . . 50196 1 57 1.0 . . 50196 1 58 1.0 . . 50196 1 59 1.0 . . 50196 1 60 1.0 . . 50196 1 61 1.0 . . 50196 1 62 1.0 . . 50196 1 63 1.0 . . 50196 1 64 1.0 . . 50196 1 65 1.0 . . 50196 1 66 1.0 . . 50196 1 67 1.0 . . 50196 1 68 1.0 . . 50196 1 69 1.0 . . 50196 1 70 1.0 . . 50196 1 71 1.0 . . 50196 1 72 1.0 . . 50196 1 73 1.0 . . 50196 1 74 1.0 . . 50196 1 75 1.0 . . 50196 1 76 1.0 . . 50196 1 77 1.0 . . 50196 1 78 1.0 . . 50196 1 79 1.0 . . 50196 1 80 1.0 . . 50196 1 81 1.0 . . 50196 1 82 1.0 . . 50196 1 83 1.0 . . 50196 1 84 1.0 . . 50196 1 85 1.0 . . 50196 1 86 1.0 . . 50196 1 87 1.0 . . 50196 1 88 1.0 . . 50196 1 89 1.0 . . 50196 1 90 1.0 . . 50196 1 91 1.0 . . 50196 1 92 1.0 . . 50196 1 93 1.0 . . 50196 1 94 1.0 . . 50196 1 95 1.0 . . 50196 1 96 1.0 . . 50196 1 97 1.0 . . 50196 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 1266973.50000 . height 50196 1 1 5853966.34375 . volume 50196 1 2 1029083.56250 . height 50196 1 2 5077950.06250 . volume 50196 1 3 1228950.75000 . height 50196 1 3 6779606.03125 . volume 50196 1 4 1457278.00000 . height 50196 1 4 7340293.50000 . volume 50196 1 5 993896.87500 . height 50196 1 5 5312047.29688 . volume 50196 1 6 1252321.50000 . height 50196 1 6 6296912.28125 . volume 50196 1 7 1574830.75000 . height 50196 1 7 7992246.12500 . volume 50196 1 8 1108688.00000 . height 50196 1 8 6226551.93750 . volume 50196 1 9 1229639.50000 . height 50196 1 9 6512004.06250 . volume 50196 1 10 1077946.87500 . height 50196 1 10 5474436.68750 . volume 50196 1 11 1575206.00000 . height 50196 1 11 7873383.03125 . volume 50196 1 12 814612.00000 . height 50196 1 12 4574688.87500 . volume 50196 1 13 1349214.50000 . height 50196 1 13 7015497.00000 . volume 50196 1 14 1446240.37500 . height 50196 1 14 7379150.68750 . volume 50196 1 15 1161437.75000 . height 50196 1 15 6229338.03125 . volume 50196 1 16 1041076.87500 . height 50196 1 16 5366948.40625 . volume 50196 1 17 1233424.50000 . height 50196 1 17 6744213.25000 . volume 50196 1 18 1595442.00000 . height 50196 1 18 8462872.62500 . volume 50196 1 19 1020656.93750 . height 50196 1 19 5695109.85938 . volume 50196 1 20 624048.18750 . height 50196 1 20 3697725.07812 . volume 50196 1 21 2155206.00000 . height 50196 1 21 12024795.00000 . volume 50196 1 22 1551474.50000 . height 50196 1 22 7803763.43750 . volume 50196 1 23 545980.00000 . height 50196 1 23 3358991.87500 . volume 50196 1 24 1329536.00000 . height 50196 1 24 7327446.71875 . volume 50196 1 25 2230577.00000 . height 50196 1 25 12982115.43750 . volume 50196 1 26 1112533.50000 . height 50196 1 26 6091233.21875 . volume 50196 1 27 1399709.00000 . height 50196 1 27 7553677.21875 . volume 50196 1 28 1418724.75000 . height 50196 1 28 7264563.25000 . volume 50196 1 29 1086493.25000 . height 50196 1 29 5879021.37500 . volume 50196 1 30 1252862.62500 . height 50196 1 30 7051948.21875 . volume 50196 1 31 1500600.50000 . height 50196 1 31 7747892.56250 . volume 50196 1 32 1532165.37500 . height 50196 1 32 8229151.75000 . volume 50196 1 33 1015108.37500 . height 50196 1 33 5757725.68750 . volume 50196 1 34 1273651.25000 . height 50196 1 34 7406074.68750 . volume 50196 1 35 1413525.12500 . height 50196 1 35 7722736.06250 . volume 50196 1 36 1631481.75000 . height 50196 1 36 8869071.00000 . volume 50196 1 37 1234150.87500 . height 50196 1 37 7206280.90625 . volume 50196 1 38 1369115.12500 . height 50196 1 38 7366135.96875 . volume 50196 1 39 917520.25000 . height 50196 1 39 4989346.62500 . volume 50196 1 40 1609042.25000 . height 50196 1 40 8247282.34375 . volume 50196 1 41 1633730.25000 . height 50196 1 41 8420805.00000 . volume 50196 1 42 757498.93750 . height 50196 1 42 4075484.71875 . volume 50196 1 43 1116933.00000 . height 50196 1 43 6853368.43750 . volume 50196 1 44 1358754.50000 . height 50196 1 44 7305680.12500 . volume 50196 1 45 748322.00000 . height 50196 1 45 4354132.17188 . volume 50196 1 46 985040.68750 . height 50196 1 46 5448154.65625 . volume 50196 1 47 1500370.37500 . height 50196 1 47 7610500.43750 . volume 50196 1 48 461381.18750 . height 50196 1 48 2744441.18750 . volume 50196 1 49 973918.62500 . height 50196 1 49 5414110.18750 . volume 50196 1 50 1899392.75000 . height 50196 1 50 11397630.25000 . volume 50196 1 51 689515.00000 . height 50196 1 51 4083777.43750 . volume 50196 1 52 1287357.75000 . height 50196 1 52 6624021.28125 . volume 50196 1 53 1092088.25000 . height 50196 1 53 5713657.03125 . volume 50196 1 54 974454.50000 . height 50196 1 54 5365445.03125 . volume 50196 1 55 905999.93750 . height 50196 1 55 5331430.03125 . volume 50196 1 56 1135520.25000 . height 50196 1 56 6287917.06250 . volume 50196 1 57 912310.75000 . height 50196 1 57 4970416.37500 . volume 50196 1 58 901250.56250 . height 50196 1 58 4894443.43750 . volume 50196 1 59 1382943.75000 . height 50196 1 59 7828001.25000 . volume 50196 1 60 1335459.00000 . height 50196 1 60 7068010.96875 . volume 50196 1 61 1124404.75000 . height 50196 1 61 6084883.71875 . volume 50196 1 62 1190788.87500 . height 50196 1 62 6393750.87500 . volume 50196 1 63 1041571.06250 . height 50196 1 63 5735110.96875 . volume 50196 1 64 987782.00000 . height 50196 1 64 5568032.81250 . volume 50196 1 65 1070788.62500 . height 50196 1 65 5576908.06250 . volume 50196 1 66 1311758.00000 . height 50196 1 66 7405342.50000 . volume 50196 1 67 1284453.25000 . height 50196 1 67 6740877.03125 . volume 50196 1 68 1241458.75000 . height 50196 1 68 6442068.40625 . volume 50196 1 69 1106055.62500 . height 50196 1 69 6100626.39062 . volume 50196 1 70 1162322.87500 . height 50196 1 70 6302334.03125 . volume 50196 1 71 1276368.00000 . height 50196 1 71 6742811.31250 . volume 50196 1 72 976817.18750 . height 50196 1 72 5392163.04688 . volume 50196 1 73 1120630.75000 . height 50196 1 73 5524521.56250 . volume 50196 1 74 803278.00000 . height 50196 1 74 4616944.43750 . volume 50196 1 75 985196.68750 . height 50196 1 75 4887444.78125 . volume 50196 1 76 915220.00000 . height 50196 1 76 5359887.96875 . volume 50196 1 77 663574.50000 . height 50196 1 77 3847319.51562 . volume 50196 1 78 1128508.25000 . height 50196 1 78 6334210.92188 . volume 50196 1 79 1400053.12500 . height 50196 1 79 5548113.90625 . volume 50196 1 80 1191367.00000 . height 50196 1 80 5158739.81250 . volume 50196 1 81 1310170.37500 . height 50196 1 81 6538159.28125 . volume 50196 1 82 1123975.75000 . height 50196 1 82 5448975.20312 . volume 50196 1 83 1061615.75000 . height 50196 1 83 6881480.12500 . volume 50196 1 84 2155206.00000 . height 50196 1 84 12024795.00000 . volume 50196 1 85 2000676.25000 . height 50196 1 85 11682824.56250 . volume 50196 1 86 1025729.62500 . height 50196 1 86 7176432.68750 . volume 50196 1 87 1498274.87500 . height 50196 1 87 9814100.12500 . volume 50196 1 88 1572801.00000 . height 50196 1 88 8525858.50000 . volume 50196 1 89 1005642.50000 . height 50196 1 89 5676603.62500 . volume 50196 1 90 408855.18750 . height 50196 1 90 3986754.60938 . volume 50196 1 91 1454469.37500 . height 50196 1 91 9547022.56250 . volume 50196 1 92 270152.37500 . height 50196 1 92 3569086.71875 . volume 50196 1 93 1382784.50000 . height 50196 1 93 6227718.31250 . volume 50196 1 94 1368835.75000 . height 50196 1 94 5609050.70312 . volume 50196 1 95 1385713.50000 . height 50196 1 95 5446716.79688 . volume 50196 1 96 1282717.75000 . height 50196 1 96 5842374.53125 . volume 50196 1 97 1013824.00000 . height 50196 1 97 6876740.56250 . volume 50196 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.887 . 15.93887266590 . . . . . . . . . . . 50196 1 1 2 115.135 . 5.89386140610 . . . . . . . . . . . 50196 1 2 1 7.660 . 15.89313291830 . . . . . . . . . . . 50196 1 2 2 108.913 . 6.39518335043 . . . . . . . . . . . 50196 1 3 1 8.030 . 16.84687812380 . . . . . . . . . . . 50196 1 3 2 108.513 . 7.15273651073 . . . . . . . . . . . 50196 1 4 1 8.289 . 15.38320620110 . . . . . . . . . . . 50196 1 4 2 126.645 . 6.82012955318 . . . . . . . . . . . 50196 1 5 1 8.149 . 16.51383558670 . . . . . . . . . . . 50196 1 5 2 124.677 . 6.91029504470 . . . . . . . . . . . 50196 1 6 1 8.473 . 15.42680189800 . . . . . . . . . . . 50196 1 6 2 124.497 . 7.04312045236 . . . . . . . . . . . 50196 1 7 1 8.201 . 15.44109556910 . . . . . . . . . . . 50196 1 7 2 124.307 . 6.87503947708 . . . . . . . . . . . 50196 1 8 1 8.216 . 17.36716775250 . . . . . . . . . . . 50196 1 8 2 124.141 . 7.25449535526 . . . . . . . . . . . 50196 1 9 1 8.087 . 17.61587763000 . . . . . . . . . . . 50196 1 9 2 124.154 . 6.64063637104 . . . . . . . . . . . 50196 1 10 1 8.266 . 16.22474608830 . . . . . . . . . . . 50196 1 10 2 123.768 . 6.83681764139 . . . . . . . . . . . 50196 1 11 1 8.078 . 15.27993442720 . . . . . . . . . . . 50196 1 11 2 123.568 . 6.61287572498 . . . . . . . . . . . 50196 1 12 1 8.215 . 16.67821280450 . . . . . . . . . . . 50196 1 12 2 123.466 . 7.66977288276 . . . . . . . . . . . 50196 1 13 1 8.381 . 15.90421051340 . . . . . . . . . . . 50196 1 13 2 123.376 . 7.14041857317 . . . . . . . . . . . 50196 1 14 1 8.195 . 16.15577912510 . . . . . . . . . . . 50196 1 14 2 122.981 . 6.61889883416 . . . . . . . . . . . 50196 1 15 1 8.423 . 16.00891165440 . . . . . . . . . . . 50196 1 15 2 122.928 . 7.46118310177 . . . . . . . . . . . 50196 1 16 1 8.179 . 16.11182608640 . . . . . . . . . . . 50196 1 16 2 122.803 . 6.89070861824 . . . . . . . . . . . 50196 1 17 1 8.376 . 16.49525381420 . . . . . . . . . . . 50196 1 17 2 122.535 . 7.29357763511 . . . . . . . . . . . 50196 1 18 1 8.459 . 16.49846989020 . . . . . . . . . . . 50196 1 18 2 122.315 . 6.93798776096 . . . . . . . . . . . 50196 1 19 1 8.425 . 17.15240534390 . . . . . . . . . . . 50196 1 19 2 122.173 . 7.41539841471 . . . . . . . . . . . 50196 1 20 1 8.584 . 18.43454764340 . . . . . . . . . . . 50196 1 20 2 122.016 . 8.25505606328 . . . . . . . . . . . 50196 1 21 1 8.301 . 25.07467256220 . . . . . . . . . . . 50196 1 21 2 122.029 . 7.23819220260 . . . . . . . . . . . 50196 1 22 1 8.285 . 16.44987140840 . . . . . . . . . . . 50196 1 22 2 121.227 . 6.60644503699 . . . . . . . . . . . 50196 1 23 1 8.448 . 21.38654807150 . . . . . . . . . . . 50196 1 23 2 121.046 . 8.83771262477 . . . . . . . . . . . 50196 1 24 1 8.377 . 16.11647152950 . . . . . . . . . . . 50196 1 24 2 121.001 . 7.43930970528 . . . . . . . . . . . 50196 1 25 1 8.509 . 21.42799971770 . . . . . . . . . . . 50196 1 25 2 120.684 . 6.96076688815 . . . . . . . . . . . 50196 1 26 1 8.248 . 16.84044597180 . . . . . . . . . . . 50196 1 26 2 122.315 . 7.40421264053 . . . . . . . . . . . 50196 1 27 1 8.196 . 16.55886065070 . . . . . . . . . . . 50196 1 27 2 122.200 . 7.31843994292 . . . . . . . . . . . 50196 1 28 1 8.101 . 16.14970431490 . . . . . . . . . . . 50196 1 28 2 122.097 . 6.78473812595 . . . . . . . . . . . 50196 1 29 1 7.757 . 16.76576154020 . . . . . . . . . . . 50196 1 29 2 122.019 . 7.32989743631 . . . . . . . . . . . 50196 1 30 1 8.010 . 16.52098242220 . . . . . . . . . . . 50196 1 30 2 121.793 . 7.44243447621 . . . . . . . . . . . 50196 1 31 1 8.103 . 16.39841419240 . . . . . . . . . . . 50196 1 31 2 121.662 . 6.89419568145 . . . . . . . . . . . 50196 1 32 1 8.188 . 18.12544700540 . . . . . . . . . . . 50196 1 32 2 121.457 . 7.23461456632 . . . . . . . . . . . 50196 1 33 1 8.152 . 41.49595662840 . . . . . . . . . . . 50196 1 33 2 121.462 . 7.40933001900 . . . . . . . . . . . 50196 1 34 1 8.107 . 16.95300863180 . . . . . . . . . . . 50196 1 34 2 121.471 . 16.08523385360 . . . . . . . . . . . 50196 1 35 1 8.253 . 17.01161268340 . . . . . . . . . . . 50196 1 35 2 121.316 . 6.84315775632 . . . . . . . . . . . 50196 1 36 1 8.108 . 16.82400825000 . . . . . . . . . . . 50196 1 36 2 121.339 . 14.57904898040 . . . . . . . . . . . 50196 1 37 1 7.970 . 16.94514711270 . . . . . . . . . . . 50196 1 37 2 121.205 . 7.54849554157 . . . . . . . . . . . 50196 1 38 1 8.237 . 16.79256217350 . . . . . . . . . . . 50196 1 38 2 120.903 . 7.03639540188 . . . . . . . . . . . 50196 1 39 1 8.167 . 17.31142243520 . . . . . . . . . . . 50196 1 39 2 120.488 . 7.16442043681 . . . . . . . . . . . 50196 1 40 1 8.220 . 16.41413723060 . . . . . . . . . . . 50196 1 40 2 120.444 . 6.78555328358 . . . . . . . . . . . 50196 1 41 1 8.276 . 16.73788888150 . . . . . . . . . . . 50196 1 41 2 120.356 . 6.81299692389 . . . . . . . . . . . 50196 1 42 1 8.236 . 18.75079511690 . . . . . . . . . . . 50196 1 42 2 120.194 . 6.85176219800 . . . . . . . . . . . 50196 1 43 1 7.986 . 18.72792524310 . . . . . . . . . . . 50196 1 43 2 120.452 . 8.83087435795 . . . . . . . . . . . 50196 1 44 1 8.062 . 18.35986321180 . . . . . . . . . . . 50196 1 44 2 120.249 . 6.92847758858 . . . . . . . . . . . 50196 1 45 1 7.893 . 17.81920510170 . . . . . . . . . . . 50196 1 45 2 119.562 . 8.01961136694 . . . . . . . . . . . 50196 1 46 1 8.459 . 17.96750193960 . . . . . . . . . . . 50196 1 46 2 119.722 . 7.19612101142 . . . . . . . . . . . 50196 1 47 1 8.346 . 16.21474051850 . . . . . . . . . . . 50196 1 47 2 119.037 . 6.66975561315 . . . . . . . . . . . 50196 1 48 1 8.469 . 18.40774701010 . . . . . . . . . . . 50196 1 48 2 118.184 . 7.97808361419 . . . . . . . . . . . 50196 1 49 1 8.306 . 16.92656534030 . . . . . . . . . . . 50196 1 49 2 117.260 . 7.47925242930 . . . . . . . . . . . 50196 1 50 1 8.196 . 17.27676028270 . . . . . . . . . . . 50196 1 50 2 117.317 . 8.92760639708 . . . . . . . . . . . 50196 1 51 1 8.226 . 33.66373953820 . . . . . . . . . . . 50196 1 51 2 117.224 . 7.91490889763 . . . . . . . . . . . 50196 1 52 1 8.375 . 15.90957064010 . . . . . . . . . . . 50196 1 52 2 116.533 . 6.91724652785 . . . . . . . . . . . 50196 1 53 1 8.507 . 16.27799001320 . . . . . . . . . . . 50196 1 53 2 116.340 . 6.89541841790 . . . . . . . . . . . 50196 1 54 1 8.274 . 17.48008775440 . . . . . . . . . . . 50196 1 54 2 116.198 . 7.40009156583 . . . . . . . . . . . 50196 1 55 1 8.314 . 19.51121842050 . . . . . . . . . . . 50196 1 55 2 116.126 . 7.93447268082 . . . . . . . . . . . 50196 1 56 1 8.411 . 16.29371305140 . . . . . . . . . . . 50196 1 56 2 115.736 . 7.30843161864 . . . . . . . . . . . 50196 1 57 1 8.127 . 17.39682712010 . . . . . . . . . . . 50196 1 57 2 116.194 . 7.13588991965 . . . . . . . . . . . 50196 1 58 1 8.061 . 17.22601775020 . . . . . . . . . . . 50196 1 58 2 115.771 . 7.08236123508 . . . . . . . . . . . 50196 1 59 1 8.193 . 16.42164140790 . . . . . . . . . . . 50196 1 59 2 115.679 . 7.46068494988 . . . . . . . . . . . 50196 1 60 1 8.181 . 16.37804571100 . . . . . . . . . . . 50196 1 60 2 115.523 . 7.46983282999 . . . . . . . . . . . 50196 1 61 1 8.089 . 17.10630825460 . . . . . . . . . . . 50196 1 61 2 115.458 . 7.07674570472 . . . . . . . . . . . 50196 1 62 1 8.374 . 16.29728646920 . . . . . . . . . . . 50196 1 62 2 114.865 . 7.15491026442 . . . . . . . . . . . 50196 1 63 1 7.945 . 16.92477863140 . . . . . . . . . . . 50196 1 63 2 114.672 . 7.13507476202 . . . . . . . . . . . 50196 1 64 1 8.213 . 17.11559914080 . . . . . . . . . . . 50196 1 64 2 114.153 . 7.60560186242 . . . . . . . . . . . 50196 1 65 1 7.965 . 16.81114394600 . . . . . . . . . . . 50196 1 65 2 113.367 . 6.92005429303 . . . . . . . . . . . 50196 1 66 1 8.093 . 16.99660432870 . . . . . . . . . . . 50196 1 66 2 113.099 . 7.28651293562 . . . . . . . . . . . 50196 1 67 1 8.531 . 16.87117736470 . . . . . . . . . . . 50196 1 67 2 112.486 . 7.03598782307 . . . . . . . . . . . 50196 1 68 1 8.594 . 17.11131103950 . . . . . . . . . . . 50196 1 68 2 111.123 . 6.57714464873 . . . . . . . . . . . 50196 1 69 1 8.461 . 16.79006078110 . . . . . . . . . . . 50196 1 69 2 110.803 . 7.24620791932 . . . . . . . . . . . 50196 1 70 1 8.339 . 17.56656446470 . . . . . . . . . . . 50196 1 70 2 110.732 . 7.01597117452 . . . . . . . . . . . 50196 1 71 1 8.266 . 16.92156255540 . . . . . . . . . . . 50196 1 71 2 110.733 . 7.19883820353 . . . . . . . . . . . 50196 1 72 1 8.299 . 17.40719003170 . . . . . . . . . . . 50196 1 72 2 110.375 . 7.14132430387 . . . . . . . . . . . 50196 1 73 1 8.453 . 16.60602976540 . . . . . . . . . . . 50196 1 73 2 109.762 . 6.24383574989 . . . . . . . . . . . 50196 1 74 1 8.410 . 20.95344983650 . . . . . . . . . . . 50196 1 74 2 109.660 . 7.67244478833 . . . . . . . . . . . 50196 1 75 1 8.510 . 16.44308191460 . . . . . . . . . . . 50196 1 75 2 109.506 . 6.41157707616 . . . . . . . . . . . 50196 1 76 1 8.384 . 17.53904914770 . . . . . . . . . . . 50196 1 76 2 109.491 . 7.72706034975 . . . . . . . . . . . 50196 1 77 1 8.410 . 18.34592688250 . . . . . . . . . . . 50196 1 77 2 109.163 . 8.02658549335 . . . . . . . . . . . 50196 1 78 1 8.292 . 17.04198673450 . . . . . . . . . . . 50196 1 78 2 107.968 . 7.31259797988 . . . . . . . . . . . 50196 1 79 1 7.544 . 11.78227310420 . . . . . . . . . . . 50196 1 79 2 112.641 . 5.86696120421 . . . . . . . . . . . 50196 1 80 1 7.449 . 12.43334982370 . . . . . . . . . . . 50196 1 80 2 112.456 . 6.37118148679 . . . . . . . . . . . 50196 1 81 1 6.888 . 16.16685672020 . . . . . . . . . . . 50196 1 81 2 112.639 . 6.21793185177 . . . . . . . . . . . 50196 1 82 1 6.792 . 16.75468394500 . . . . . . . . . . . 50196 1 82 2 112.457 . 6.28432191233 . . . . . . . . . . . 50196 1 83 1 8.279 . 34.41808803150 . . . . . . . . . . . 50196 1 83 2 121.987 . 7.53980052682 . . . . . . . . . . . 50196 1 84 1 8.307 . 25.07467256220 . . . . . . . . . . . 50196 1 84 2 122.018 . 7.23819220260 . . . . . . . . . . . 50196 1 85 1 8.490 . 23.04032582000 . . . . . . . . . . . 50196 1 85 2 120.679 . 6.84601080803 . . . . . . . . . . . 50196 1 86 1 7.969 . 21.76818909040 . . . . . . . . . . . 50196 1 86 2 120.385 . 10.24947507210 . . . . . . . . . . . 50196 1 87 1 8.200 . 17.54762535040 . . . . . . . . . . . 50196 1 87 2 117.358 . 10.35014703980 . . . . . . . . . . . 50196 1 88 1 8.423 . 16.67785546280 . . . . . . . . . . . 50196 1 88 2 120.887 . 7.75998366081 . . . . . . . . . . . 50196 1 89 1 8.334 . 17.23816737070 . . . . . . . . . . . 50196 1 89 2 116.739 . 8.27747289819 . . . . . . . . . . . 50196 1 90 1 8.436 . 19.91358526250 . . . . . . . . . . . 50196 1 90 2 120.852 . 18.09296710380 . . . . . . . . . . . 50196 1 91 1 8.308 . 30.26577657120 . . . . . . . . . . . 50196 1 91 2 117.599 . 8.66204615484 . . . . . . . . . . . 50196 1 92 1 8.513 . 25.62247750790 . . . . . . . . . . . 50196 1 92 2 120.770 . 16.76534703880 . . . . . . . . . . . 50196 1 93 1 6.880 . 15.01192809370 . . . . . . . . . . . 50196 1 93 2 112.397 . 5.94231799874 . . . . . . . . . . . 50196 1 94 1 7.517 . 12.55055792690 . . . . . . . . . . . 50196 1 94 2 112.397 . 5.85917192016 . . . . . . . . . . . 50196 1 95 1 7.416 . 12.07422133680 . . . . . . . . . . . 50196 1 95 2 112.392 . 5.58256176335 . . . . . . . . . . . 50196 1 96 1 6.824 . 15.04087277780 . . . . . . . . . . . 50196 1 96 2 112.392 . 5.67331597983 . . . . . . . . . . . 50196 1 97 1 8.334 . 36.17299350330 . . . . . . . . . . . 50196 1 97 2 117.601 . 7.52272750306 . . . . . . . . . . . 50196 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 7.887 . . 1 . 1 1 102 GLY H . . . . . . . . . . 13 . 50196 1 1 2 1 . . 115.135 . . 1 . 1 1 102 GLY N . . . . . . . . . . 14 . 50196 1 2 1 1 . . 7.660 . . 1 . 1 1 97 GLY H . . . . . . . . . . 83 . 50196 1 2 2 1 . . 108.913 . . 1 . 1 1 97 GLY N . . . . . . . . . . 84 . 50196 1 3 1 1 . . 8.030 . . 1 . 1 1 49 GLY H . . . . . . . . . . 123 . 50196 1 3 2 1 . . 108.513 . . 1 . 1 1 49 GLY N . . . . . . . . . . 124 . 50196 1 4 1 1 . . 8.289 . . 1 . 1 1 10 ALA H . . . . . . . . . . 97 . 50196 1 4 2 1 . . 126.645 . . 1 . 1 1 10 ALA N . . . . . . . . . . 98 . 50196 1 5 1 1 . . 8.149 . . 1 . 1 1 96 LEU H . . . . . . . . . . 51 . 50196 1 5 2 1 . . 124.677 . . 1 . 1 1 96 LEU N . . . . . . . . . . 52 . 50196 1 6 1 1 . . 8.473 . . 1 . 1 1 40 ALA H . . . . . . . . . . 27 . 50196 1 6 2 1 . . 124.497 . . 1 . 1 1 40 ALA N . . . . . . . . . . 28 . 50196 1 7 1 1 . . 8.201 . . 1 . 1 1 43 ALA H . . . . . . . . . . 117 . 50196 1 7 2 1 . . 124.307 . . 1 . 1 1 43 ALA N . . . . . . . . . . 118 . 50196 1 8 1 1 . . 8.216 . . 1 . 1 1 42 LEU H . . . . . . . . . . 121 . 50196 1 8 2 1 . . 124.141 . . 1 . 1 1 42 LEU N . . . . . . . . . . 122 . 50196 1 9 1 1 . . 8.087 . . 1 . 1 1 72 ASP H . . . . . . . . . . 85 . 50196 1 9 2 1 . . 124.154 . . 1 . 1 1 72 ASP N . . . . . . . . . . 86 . 50196 1 10 1 1 . . 8.266 . . 1 . 1 1 90 LEU H . . . . . . . . . . 47 . 50196 1 10 2 1 . . 123.768 . . 1 . 1 1 90 LEU N . . . . . . . . . . 48 . 50196 1 11 1 1 . . 8.078 . . 1 . 1 1 45 ALA H . . . . . . . . . . 21 . 50196 1 11 2 1 . . 123.568 . . 1 . 1 1 45 ALA N . . . . . . . . . . 22 . 50196 1 12 1 1 . . 8.215 . . 1 . 1 1 30 LEU H . . . . . . . . . . 137 . 50196 1 12 2 1 . . 123.466 . . 1 . 1 1 30 LEU N . . . . . . . . . . 138 . 50196 1 13 1 1 . . 8.381 . . 1 . 1 1 85 GLU H . . . . . . . . . . 101 . 50196 1 13 2 1 . . 123.376 . . 1 . 1 1 85 GLU N . . . . . . . . . . 102 . 50196 1 14 1 1 . . 8.195 . . 1 . 1 1 61 TRP H . . . . . . . . . . 61 . 50196 1 14 2 1 . . 122.981 . . 1 . 1 1 61 TRP N . . . . . . . . . . 62 . 50196 1 15 1 1 . . 8.423 . . 1 . 1 1 79 GLU H . . . . . . . . . . 151 . 50196 1 15 2 1 . . 122.928 . . 1 . 1 1 79 GLU N . . . . . . . . . . 152 . 50196 1 16 1 1 . . 8.179 . . 1 . 1 1 95 PHE H . . . . . . . . . . 19 . 50196 1 16 2 1 . . 122.803 . . 1 . 1 1 95 PHE N . . . . . . . . . . 20 . 50196 1 17 1 1 . . 8.376 . . 1 . 1 1 8 ARG H . . . . . . . . . . 65 . 50196 1 17 2 1 . . 122.535 . . 1 . 1 1 8 ARG N . . . . . . . . . . 66 . 50196 1 18 1 1 . . 8.459 . . 1 . 1 1 15 ASP H . . . . . . . . . . 5 . 50196 1 18 2 1 . . 122.315 . . 1 . 1 1 15 ASP N . . . . . . . . . . 6 . 50196 1 19 1 1 . . 8.425 . . 1 . 1 1 9 MET H . . . . . . . . . . 115 . 50196 1 19 2 1 . . 122.173 . . 1 . 1 1 9 MET N . . . . . . . . . . 116 . 50196 1 20 1 1 . . 8.584 . . 1 . 1 1 3 MET H . . . . . . . . . . 53 . 50196 1 20 2 1 . . 122.016 . . 1 . 1 1 3 MET N . . . . . . . . . . 54 . 50196 1 21 1 1 . . 8.301 . . 1 . 1 1 83 PHE H . . . . . . . . . . 7 . 50196 1 21 2 1 . . 122.029 . . 1 . 1 1 83 PHE N . . . . . . . . . . 8 . 50196 1 22 1 1 . . 8.285 . . 1 . 1 1 54 ASP H . . . . . . . . . . 119 . 50196 1 22 2 1 . . 121.227 . . 1 . 1 1 54 ASP N . . . . . . . . . . 120 . 50196 1 23 1 1 . . 8.448 . . 1 . 1 1 34 ASN H . . . . . . . . . . 488 . 50196 1 23 2 1 . . 121.046 . . 1 . 1 1 34 ASN N . . . . . . . . . . 489 . 50196 1 24 1 1 . . 8.377 . . 1 . 1 1 17 GLU H . . . . . . . . . . 45 . 50196 1 24 2 1 . . 121.001 . . 1 . 1 1 17 GLU N . . . . . . . . . . 46 . 50196 1 25 1 1 . . 8.509 . . 1 . 1 1 7 GLN H . . . . . . . . . . 135 . 50196 1 25 2 1 . . 120.684 . . 1 . 1 1 7 GLN N . . . . . . . . . . 136 . 50196 1 26 1 1 . . 8.248 . . 1 . 1 1 77 PHE H . . . . . . . . . . 33 . 50196 1 26 2 1 . . 122.315 . . 1 . 1 1 77 PHE N . . . . . . . . . . 34 . 50196 1 27 1 1 . . 8.196 . . 1 . 1 1 18 LEU H . . . . . . . . . . 59 . 50196 1 27 2 1 . . 122.200 . . 1 . 1 1 18 LEU N . . . . . . . . . . 60 . 50196 1 28 1 1 . . 8.101 . . 1 . 1 1 71 PHE H . . . . . . . . . . 109 . 50196 1 28 2 1 . . 122.097 . . 1 . 1 1 71 PHE N . . . . . . . . . . 110 . 50196 1 29 1 1 . . 7.757 . . 1 . 1 1 75 ARG H . . . . . . . . . . 107 . 50196 1 29 2 1 . . 122.019 . . 1 . 1 1 75 ARG N . . . . . . . . . . 108 . 50196 1 30 1 1 . . 8.010 . . 1 . 1 1 22 LEU H . . . . . . . . . . 3 . 50196 1 30 2 1 . . 121.793 . . 1 . 1 1 22 LEU N . . . . . . . . . . 4 . 50196 1 31 1 1 . . 8.103 . . 1 . 1 1 55 ARG H . . . . . . . . . . 89 . 50196 1 31 2 1 . . 121.662 . . 1 . 1 1 55 ARG N . . . . . . . . . . 90 . 50196 1 32 1 1 . . 8.188 . . 1 . 1 1 16 LYS H . . . . . . . . . . 79 . 50196 1 32 2 1 . . 121.457 . . 1 . 1 1 16 LYS N . . . . . . . . . . 80 . 50196 1 33 1 1 . . 8.152 . . 1 . 1 1 38 ARG H . . . . . . . . . . 41 . 50196 1 33 2 1 . . 121.462 . . 1 . 1 1 38 ARG N . . . . . . . . . . 42 . 50196 1 34 1 1 . . 8.107 . . 1 . 1 1 100 LEU H . . . . . . . . . . 15 . 50196 1 34 2 1 . . 121.471 . . 1 . 1 1 100 LEU N . . . . . . . . . . 16 . 50196 1 35 1 1 . . 8.253 . . 1 . 1 1 5 GLN H . . . . . . . . . . 131 . 50196 1 35 2 1 . . 121.316 . . 1 . 1 1 5 GLN N . . . . . . . . . . 132 . 50196 1 36 1 1 . . 8.108 . . 1 . 1 1 52 LEU H . . . . . . . . . . 91 . 50196 1 36 2 1 . . 121.339 . . 1 . 1 1 52 LEU N . . . . . . . . . . 92 . 50196 1 37 1 1 . . 7.970 . . 1 . 1 1 21 LEU H . . . . . . . . . . 105 . 50196 1 37 2 1 . . 121.205 . . 1 . 1 1 21 LEU N . . . . . . . . . . 106 . 50196 1 38 1 1 . . 8.237 . . 1 . 1 1 47 PHE H . . . . . . . . . . 143 . 50196 1 38 2 1 . . 120.903 . . 1 . 1 1 47 PHE N . . . . . . . . . . 144 . 50196 1 39 1 1 . . 8.167 . . 1 . 1 1 36 LYS H . . . . . . . . . . 147 . 50196 1 39 2 1 . . 120.488 . . 1 . 1 1 36 LYS N . . . . . . . . . . 148 . 50196 1 40 1 1 . . 8.220 . . 1 . 1 1 65 ASP H . . . . . . . . . . 35 . 50196 1 40 2 1 . . 120.444 . . 1 . 1 1 65 ASP N . . . . . . . . . . 36 . 50196 1 41 1 1 . . 8.276 . . 1 . 1 1 12 VAL H . . . . . . . . . . 67 . 50196 1 41 2 1 . . 120.356 . . 1 . 1 1 12 VAL N . . . . . . . . . . 68 . 50196 1 42 1 1 . . 8.236 . . 1 . 1 1 32 VAL H . . . . . . . . . . 99 . 50196 1 42 2 1 . . 120.194 . . 1 . 1 1 32 VAL N . . . . . . . . . . 100 . 50196 1 43 1 1 . . 7.986 . . 1 . 1 1 26 MET H . . . . . . . . . . 159 . 50196 1 43 2 1 . . 120.452 . . 1 . 1 1 26 MET N . . . . . . . . . . 160 . 50196 1 44 1 1 . . 8.062 . . 1 . 1 1 23 ASP H . . . . . . . . . . 9 . 50196 1 44 2 1 . . 120.249 . . 1 . 1 1 23 ASP N . . . . . . . . . . 10 . 50196 1 45 1 1 . . 7.893 . . 1 . 1 1 27 MET H . . . . . . . . . . 43 . 50196 1 45 2 1 . . 119.562 . . 1 . 1 1 27 MET N . . . . . . . . . . 44 . 50196 1 46 1 1 . . 8.459 . . 1 . 1 1 4 ASN H . . . . . . . . . . 17 . 50196 1 46 2 1 . . 119.722 . . 1 . 1 1 4 ASN N . . . . . . . . . . 18 . 50196 1 47 1 1 . . 8.346 . . 1 . 1 1 46 GLN H . . . . . . . . . . 133 . 50196 1 47 2 1 . . 119.037 . . 1 . 1 1 46 GLN N . . . . . . . . . . 134 . 50196 1 48 1 1 . . 8.469 . . 1 . 1 1 89 SER H . . . . . . . . . . 93 . 50196 1 48 2 1 . . 118.184 . . 1 . 1 1 89 SER N . . . . . . . . . . 94 . 50196 1 49 1 1 . . 8.306 . . 1 . 1 1 58 SER H . . . . . . . . . . 145 . 50196 1 49 2 1 . . 117.260 . . 1 . 1 1 58 SER N . . . . . . . . . . 146 . 50196 1 50 1 1 . . 8.196 . . 1 . 1 1 78 SER H . . . . . . . . . . 157 . 50196 1 50 2 1 . . 117.317 . . 1 . 1 1 78 SER N . . . . . . . . . . 158 . 50196 1 51 1 1 . . 8.226 . . 1 . 1 1 33 THR H . . . . . . . . . . 69 . 50196 1 51 2 1 . . 117.224 . . 1 . 1 1 33 THR N . . . . . . . . . . 70 . 50196 1 52 1 1 . . 8.375 . . 1 . 1 1 67 SER H . . . . . . . . . . 31 . 50196 1 52 2 1 . . 116.533 . . 1 . 1 1 67 SER N . . . . . . . . . . 32 . 50196 1 53 1 1 . . 8.507 . . 1 . 1 1 57 SER H . . . . . . . . . . 149 . 50196 1 53 2 1 . . 116.340 . . 1 . 1 1 57 SER N . . . . . . . . . . 150 . 50196 1 54 1 1 . . 8.274 . . 1 . 1 1 91 SER H . . . . . . . . . . 81 . 50196 1 54 2 1 . . 116.198 . . 1 . 1 1 91 SER N . . . . . . . . . . 82 . 50196 1 55 1 1 . . 8.314 . . 1 . 1 1 25 SER H . . . . . . . . . . 63 . 50196 1 55 2 1 . . 116.126 . . 1 . 1 1 25 SER N . . . . . . . . . . 64 . 50196 1 56 1 1 . . 8.411 . . 1 . 1 1 50 SER H . . . . . . . . . . 49 . 50196 1 56 2 1 . . 115.736 . . 1 . 1 1 50 SER N . . . . . . . . . . 50 . 50196 1 57 1 1 . . 8.127 . . 1 . 1 1 84 THR H . . . . . . . . . . 25 . 50196 1 57 2 1 . . 116.194 . . 1 . 1 1 84 THR N . . . . . . . . . . 26 . 50196 1 58 1 1 . . 8.061 . . 1 . 1 1 94 THR H . . . . . . . . . . 95 . 50196 1 58 2 1 . . 115.771 . . 1 . 1 1 94 THR N . . . . . . . . . . 96 . 50196 1 59 1 1 . . 8.193 . . 1 . 1 1 19 SER H . . . . . . . . . . 55 . 50196 1 59 2 1 . . 115.679 . . 1 . 1 1 19 SER N . . . . . . . . . . 56 . 50196 1 60 1 1 . . 8.181 . . 1 . 1 1 63 SER H . . . . . . . . . . 29 . 50196 1 60 2 1 . . 115.523 . . 1 . 1 1 63 SER N . . . . . . . . . . 30 . 50196 1 61 1 1 . . 8.089 . . 1 . 1 1 60 SER H . . . . . . . . . . 75 . 50196 1 61 2 1 . . 115.458 . . 1 . 1 1 60 SER N . . . . . . . . . . 76 . 50196 1 62 1 1 . . 8.374 . . 1 . 1 1 74 SER H . . . . . . . . . . 155 . 50196 1 62 2 1 . . 114.865 . . 1 . 1 1 74 SER N . . . . . . . . . . 156 . 50196 1 63 1 1 . . 7.945 . . 1 . 1 1 76 THR H . . . . . . . . . . 111 . 50196 1 63 2 1 . . 114.672 . . 1 . 1 1 76 THR N . . . . . . . . . . 112 . 50196 1 64 1 1 . . 8.213 . . 1 . 1 1 41 SER H . . . . . . . . . . 71 . 50196 1 64 2 1 . . 114.153 . . 1 . 1 1 41 SER N . . . . . . . . . . 72 . 50196 1 65 1 1 . . 7.965 . . 1 . 1 1 81 THR H . . . . . . . . . . 141 . 50196 1 65 2 1 . . 113.367 . . 1 . 1 1 81 THR N . . . . . . . . . . 142 . 50196 1 66 1 1 . . 8.093 . . 1 . 1 1 14 THR H . . . . . . . . . . 11 . 50196 1 66 2 1 . . 113.099 . . 1 . 1 1 14 THR N . . . . . . . . . . 12 . 50196 1 67 1 1 . . 8.531 . . 1 . 1 1 13 GLY H . . . . . . . . . . 125 . 50196 1 67 2 1 . . 112.486 . . 1 . 1 1 13 GLY N . . . . . . . . . . 126 . 50196 1 68 1 1 . . 8.594 . . 1 . 1 1 51 GLY H . . . . . . . . . . 87 . 50196 1 68 2 1 . . 111.123 . . 1 . 1 1 51 GLY N . . . . . . . . . . 88 . 50196 1 69 1 1 . . 8.461 . . 1 . 1 1 64 GLY H . . . . . . . . . . 39 . 50196 1 69 2 1 . . 110.803 . . 1 . 1 1 64 GLY N . . . . . . . . . . 40 . 50196 1 70 1 1 . . 8.339 . . 1 . 1 1 48 GLY H . . . . . . . . . . 23 . 50196 1 70 2 1 . . 110.732 . . 1 . 1 1 48 GLY N . . . . . . . . . . 24 . 50196 1 71 1 1 . . 8.266 . . 1 . 1 1 62 GLY H . . . . . . . . . . 139 . 50196 1 71 2 1 . . 110.733 . . 1 . 1 1 62 GLY N . . . . . . . . . . 140 . 50196 1 72 1 1 . . 8.299 . . 1 . 1 1 59 GLY H . . . . . . . . . . 103 . 50196 1 72 2 1 . . 110.375 . . 1 . 1 1 59 GLY N . . . . . . . . . . 104 . 50196 1 73 1 1 . . 8.453 . . 1 . 1 1 101 GLY H . . . . . . . . . . 57 . 50196 1 73 2 1 . . 109.762 . . 1 . 1 1 101 GLY N . . . . . . . . . . 58 . 50196 1 74 1 1 . . 8.410 . . 1 . 1 1 37 GLY H . . . . . . . . . . 153 . 50196 1 74 2 1 . . 109.660 . . 1 . 1 1 37 GLY N . . . . . . . . . . 154 . 50196 1 75 1 1 . . 8.510 . . 1 . 1 1 99 GLY H . . . . . . . . . . 37 . 50196 1 75 2 1 . . 109.506 . . 1 . 1 1 99 GLY N . . . . . . . . . . 38 . 50196 1 76 1 1 . . 8.384 . . 1 . 1 1 80 GLY H . . . . . . . . . . 1 . 50196 1 76 2 1 . . 109.491 . . 1 . 1 1 80 GLY N . . . . . . . . . . 2 . 50196 1 77 1 1 . . 8.410 . . 1 . 1 1 35 GLY H . . . . . . . . . . 113 . 50196 1 77 2 1 . . 109.163 . . 1 . 1 1 35 GLY N . . . . . . . . . . 114 . 50196 1 78 1 1 . . 8.292 . . 1 . 1 1 44 GLY H . . . . . . . . . . 77 . 50196 1 78 2 1 . . 107.968 . . 1 . 1 1 44 GLY N . . . . . . . . . . 78 . 50196 1 79 1 1 . . 7.544 . . 1 . 1 1 7 GLN HE21 . . . . . . . . . . 73 . 50196 1 79 2 1 . . 112.641 . . 1 . 1 1 7 GLN NE2 . . . . . . . . . . 74 . 50196 1 80 1 1 . . 7.449 . . 1 . 1 1 66 GLN HE22 . . . . . . . . . . 130 . 50196 1 80 2 1 . . 112.456 . . 1 . 1 1 66 GLN NE2 . . . . . . . . . . 129 . 50196 1 81 1 1 . . 6.888 . . 1 . 1 1 7 GLN HE22 . . . . . . . . . . 127 . 50196 1 81 2 1 . . 112.639 . . 1 . 1 1 7 GLN NE2 . . . . . . . . . . 74 . 50196 1 82 1 1 . . 6.792 . . 1 . 1 1 66 GLN HE21 . . . . . . . . . . 128 . 50196 1 82 2 1 . . 112.457 . . 1 . 1 1 66 GLN NE2 . . . . . . . . . . 129 . 50196 1 83 1 1 . . 8.279 . . 1 . 1 1 24 PHE H . . . . . . . . . . 162 . 50196 1 83 2 1 . . 121.987 . . 1 . 1 1 24 PHE N . . . . . . . . . . 161 . 50196 1 84 1 1 . . 8.307 . . 1 . 1 1 20 ASP H . . . . . . . . . . 170 . 50196 1 84 2 1 . . 122.018 . . 1 . 1 1 20 ASP N . . . . . . . . . . 171 . 50196 1 85 1 1 . . 8.490 . . 1 . 1 1 53 GLU H . . . . . . . . . . 176 . 50196 1 85 2 1 . . 120.679 . . 1 . 1 1 53 GLU N . . . . . . . . . . 177 . 50196 1 86 1 1 . . 7.969 . . 1 . 1 1 28 PHE H . . . . . . . . . . 178 . 50196 1 86 2 1 . . 120.385 . . 1 . 1 1 28 PHE N . . . . . . . . . . 179 . 50196 1 87 1 1 . . 8.200 . . 1 . 1 1 70 SER H . . . . . . . . . . 256 . 50196 1 87 2 1 . . 117.358 . . 1 . 1 1 70 SER N . . . . . . . . . . 257 . 50196 1 88 1 1 . . 8.423 . . 1 . 1 1 66 GLN H . . . . . . . . . . 433 . 50196 1 88 2 1 . . 120.887 . . 1 . 1 1 66 GLN N . . . . . . . . . . 434 . 50196 1 89 1 1 . . 8.334 . . 1 . 1 1 86 SER H . . . . . . . . . . 438 . 50196 1 89 2 1 . . 116.739 . . 1 . 1 1 86 SER N . . . . . . . . . . 439 . 50196 1 90 1 1 . . 8.436 . . 1 . 1 1 82 HIS H . . . . . . . . . . 491 . 50196 1 90 2 1 . . 120.852 . . 1 . 1 1 82 HIS N . . . . . . . . . . 492 . 50196 1 91 1 1 . . 8.308 . . 1 . 1 1 92 SER H . . . . . . . . . . 495 . 50196 1 91 2 1 . . 117.599 . . 1 . 1 1 92 SER N . . . . . . . . . . 496 . 50196 1 92 1 1 . . 8.513 . . 1 . 1 1 87 HIS H . . . . . . . . . . 493 . 50196 1 92 2 1 . . 120.770 . . 1 . 1 1 87 HIS N . . . . . . . . . . 494 . 50196 1 93 1 1 . . 6.880 . . 1 . 1 1 5 GLN HE21 . . . . . . . . . . 502 . 50196 1 93 2 1 . . 112.397 . . 1 . 1 1 5 GLN NE2 . . . . . . . . . . 503 . 50196 1 94 1 1 . . 7.517 . . 1 . 1 1 5 GLN HE22 . . . . . . . . . . 504 . 50196 1 94 2 1 . . 112.397 . . 1 . 1 1 5 GLN NE2 . . . . . . . . . . 503 . 50196 1 95 1 1 . . 7.416 . . 1 . 1 1 46 GLN HE21 . . . . . . . . . . 505 . 50196 1 95 2 1 . . 112.392 . . 1 . 1 1 46 GLN NE2 . . . . . . . . . . 506 . 50196 1 96 1 1 . . 6.824 . . 1 . 1 1 46 GLN HE22 . . . . . . . . . . 507 . 50196 1 96 2 1 . . 112.392 . . 1 . 1 1 46 GLN NE2 . . . . . . . . . . 506 . 50196 1 97 1 1 . . 8.334 . . 1 . 1 1 93 SER H . . . . . . . . . . 508 . 50196 1 97 2 1 . . 117.601 . . 1 . 1 1 93 SER N . . . . . . . . . . 509 . 50196 1 stop_ save_