data_6769 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6769 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 ; Solution Structure of a Hypothetical Protein (NE2066) from Nitrosomonas_europaea ; 'Structure analysis' . 6769 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure of NE2066' 6769 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6769 _Entry.Title ; Complete assignments of a hypothetical protein NE2066, from Nitrosomonas_europaea. Northeast Structural Genomics Consortium Target NeT1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-10 _Entry.Accession_date 2005-08-10 _Entry.Last_release_date 2007-02-06 _Entry.Original_release_date 2007-02-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sampath Srisailam . . . 6769 2 Adelinda Yee . . . 6769 3 Jonathan Lukin . A. . 6769 4 Anthony Semesi . . . 6769 5 Cheryl Arrowsmith . H. . 6769 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 6769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 6769 '15N chemical shifts' 83 6769 '1H chemical shifts' 577 6769 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-02-06 2005-08-10 original author . 6769 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6769 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16741959 _Citation.Full_citation . _Citation.Title 'Solution structure of acyl carrier protein from Nitrosomonas europaea.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 64 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 800 _Citation.Page_last 803 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sampath Srisailam . . . 6769 1 2 Jonathan Lukin . A. . 6769 1 3 Adelinda Yee . . . 6769 1 4 Anthony Semesi . . . 6769 1 5 Cheryl Arrowsmith . H. . 6769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6769 _Assembly.ID 1 _Assembly.Name NE2066 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $NE2066_Entity_label . . yes native no no . . . 6769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NE2066_Entity_label _Entity.Sf_category entity _Entity.Sf_framecode NE2066_Entity_label _Entity.Entry_ID 6769 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NE2066 _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 ; MQHLEAVRNILGDVLNLGER KHTLTASSVLLGNIPELDSM AVVNVITALEEYFDFSVDDD EISAQTFETLGSLALFVEHK LSH ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9169.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17995 . NE2163 . . . . . 100.00 105 100.00 100.00 1.71e-50 . . . . 6769 1 2 no PDB 2LKI . "Solution Nmr Structure Of Holo Acyl Carrier Protein Ne2163 From Nitrosomonas Europaea. Northeast Structural Genomics Consortium" . . . . . 100.00 105 100.00 100.00 1.71e-50 . . . . 6769 1 3 no EMBL CAD86074 . "hypothetical protein NE2163 [Nitrosomonas europaea ATCC 19718]" . . . . . 100.00 83 100.00 100.00 6.48e-51 . . . . 6769 1 4 no REF NP_842167 . "hypothetical protein NE2163 [Nitrosomonas europaea ATCC 19718]" . . . . . 100.00 83 100.00 100.00 6.48e-51 . . . . 6769 1 5 no REF WP_011112661 . "acyl carrier protein [Nitrosomonas europaea]" . . . . . 100.00 83 100.00 100.00 6.48e-51 . . . . 6769 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 . MET . 6769 1 2 . GLN . 6769 1 3 . HIS . 6769 1 4 . LEU . 6769 1 5 . GLU . 6769 1 6 . ALA . 6769 1 7 . VAL . 6769 1 8 . ARG . 6769 1 9 . ASN . 6769 1 10 . ILE . 6769 1 11 . LEU . 6769 1 12 . GLY . 6769 1 13 . ASP . 6769 1 14 . VAL . 6769 1 15 . LEU . 6769 1 16 . ASN . 6769 1 17 . LEU . 6769 1 18 . GLY . 6769 1 19 . GLU . 6769 1 20 . ARG . 6769 1 21 . LYS . 6769 1 22 . HIS . 6769 1 23 . THR . 6769 1 24 . LEU . 6769 1 25 . THR . 6769 1 26 . ALA . 6769 1 27 . SER . 6769 1 28 . SER . 6769 1 29 . VAL . 6769 1 30 . LEU . 6769 1 31 . LEU . 6769 1 32 . GLY . 6769 1 33 . ASN . 6769 1 34 . ILE . 6769 1 35 . PRO . 6769 1 36 . GLU . 6769 1 37 . LEU . 6769 1 38 . ASP . 6769 1 39 . SER . 6769 1 40 . MET . 6769 1 41 . ALA . 6769 1 42 . VAL . 6769 1 43 . VAL . 6769 1 44 . ASN . 6769 1 45 . VAL . 6769 1 46 . ILE . 6769 1 47 . THR . 6769 1 48 . ALA . 6769 1 49 . LEU . 6769 1 50 . GLU . 6769 1 51 . GLU . 6769 1 52 . TYR . 6769 1 53 . PHE . 6769 1 54 . ASP . 6769 1 55 . PHE . 6769 1 56 . SER . 6769 1 57 . VAL . 6769 1 58 . ASP . 6769 1 59 . ASP . 6769 1 60 . ASP . 6769 1 61 . GLU . 6769 1 62 . ILE . 6769 1 63 . SER . 6769 1 64 . ALA . 6769 1 65 . GLN . 6769 1 66 . THR . 6769 1 67 . PHE . 6769 1 68 . GLU . 6769 1 69 . THR . 6769 1 70 . LEU . 6769 1 71 . GLY . 6769 1 72 . SER . 6769 1 73 . LEU . 6769 1 74 . ALA . 6769 1 75 . LEU . 6769 1 76 . PHE . 6769 1 77 . VAL . 6769 1 78 . GLU . 6769 1 79 . HIS . 6769 1 80 . LYS . 6769 1 81 . LEU . 6769 1 82 . SER . 6769 1 83 . HIS . 6769 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6769 1 . GLN 2 2 6769 1 . HIS 3 3 6769 1 . LEU 4 4 6769 1 . GLU 5 5 6769 1 . ALA 6 6 6769 1 . VAL 7 7 6769 1 . ARG 8 8 6769 1 . ASN 9 9 6769 1 . ILE 10 10 6769 1 . LEU 11 11 6769 1 . GLY 12 12 6769 1 . ASP 13 13 6769 1 . VAL 14 14 6769 1 . LEU 15 15 6769 1 . ASN 16 16 6769 1 . LEU 17 17 6769 1 . GLY 18 18 6769 1 . GLU 19 19 6769 1 . ARG 20 20 6769 1 . LYS 21 21 6769 1 . HIS 22 22 6769 1 . THR 23 23 6769 1 . LEU 24 24 6769 1 . THR 25 25 6769 1 . ALA 26 26 6769 1 . SER 27 27 6769 1 . SER 28 28 6769 1 . VAL 29 29 6769 1 . LEU 30 30 6769 1 . LEU 31 31 6769 1 . GLY 32 32 6769 1 . ASN 33 33 6769 1 . ILE 34 34 6769 1 . PRO 35 35 6769 1 . GLU 36 36 6769 1 . LEU 37 37 6769 1 . ASP 38 38 6769 1 . SER 39 39 6769 1 . MET 40 40 6769 1 . ALA 41 41 6769 1 . VAL 42 42 6769 1 . VAL 43 43 6769 1 . ASN 44 44 6769 1 . VAL 45 45 6769 1 . ILE 46 46 6769 1 . THR 47 47 6769 1 . ALA 48 48 6769 1 . LEU 49 49 6769 1 . GLU 50 50 6769 1 . GLU 51 51 6769 1 . TYR 52 52 6769 1 . PHE 53 53 6769 1 . ASP 54 54 6769 1 . PHE 55 55 6769 1 . SER 56 56 6769 1 . VAL 57 57 6769 1 . ASP 58 58 6769 1 . ASP 59 59 6769 1 . ASP 60 60 6769 1 . GLU 61 61 6769 1 . ILE 62 62 6769 1 . SER 63 63 6769 1 . ALA 64 64 6769 1 . GLN 65 65 6769 1 . THR 66 66 6769 1 . PHE 67 67 6769 1 . GLU 68 68 6769 1 . THR 69 69 6769 1 . LEU 70 70 6769 1 . GLY 71 71 6769 1 . SER 72 72 6769 1 . LEU 73 73 6769 1 . ALA 74 74 6769 1 . LEU 75 75 6769 1 . PHE 76 76 6769 1 . VAL 77 77 6769 1 . GLU 78 78 6769 1 . HIS 79 79 6769 1 . LYS 80 80 6769 1 . LEU 81 81 6769 1 . SER 82 82 6769 1 . HIS 83 83 6769 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6769 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NE2066_Entity_label . 915 . no . 'Nitrosomonas europaea' . . Bacteria . Nitrosomonas europaea . . . . . . . . . . . . . . . . . . . . . 6769 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6769 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NE2066_Entity_label . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6769 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6769 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 protein '[U-15N; U-13C]' . . 1 $NE2066_Entity_label . protein 1 . . mM 0.2 . . . 6769 1 2 MOPS . . . . . . buffer 10 . . mM 0.1 . . . 6769 1 3 NaCl . . . . . . salt 450 . . mM 0.1 . . . 6769 1 4 DTT . . . . . . 'reducing agent' 10 . . mM 0.1 . . . 6769 1 5 'Zinc Sulfate' . . . . . . additive 10 . . uM 0.1 . . . 6769 1 6 Benzamidine . . . . . . additive 1 . . mM 0.1 . . . 6769 1 7 'Sodium azide' . . . . . . additive 0.01 . . % 0.1 . . . 6769 1 8 D2O . . . . . . solvent 5 . . % 1 . . . 6769 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6769 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.45 0.01 M 6769 1 pH 6.5 0.2 pH 6769 1 temperature 298 0.1 K 6769 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6769 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6769 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 3 HNcaCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 4 CBCAcoNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 5 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 6 HNcoCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 7 HBHAcoNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 8 CCTOCSY_NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 9 HCCTOCSY_NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 10 '13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 11 HCCHCOSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 12 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 13 '15N NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 14 '13C NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 15 HNCB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6769 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNcaCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNcaCO _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNcaCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCAcoNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCAcoNH _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCAcoNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNcoCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNcoCA _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNcoCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHAcoNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHAcoNH _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHAcoNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCTOCSY_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCTOCSY_NH _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'CCTOCSY NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCTOCSY_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCTOCSY_NH _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'HCCTOCSY NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_HSQC _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCHCOSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCHCOSY _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCHCOSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_NOESY _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_NOESY _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCB _NMR_spec_expt.Entry_ID 6769 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HNCB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6769 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6769 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6769 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6769 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 $sample_1 isotropic 6769 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6769 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.352 0.02 . 1 . . . . 1 MET H . 6769 1 2 . 1 1 1 1 MET HA H 1 4.359 0.02 . 1 . . . . 1 MET HA . 6769 1 3 . 1 1 1 1 MET HB2 H 1 2.265 0.02 . 1 . . . . 1 MET HB2 . 6769 1 4 . 1 1 1 1 MET HB3 H 1 2.505 0.02 . 1 . . . . 1 MET HB3 . 6769 1 5 . 1 1 1 1 MET HG2 H 1 2.022 0.02 . 1 . . . . 1 MET HG2 . 6769 1 6 . 1 1 1 1 MET HG3 H 1 2.022 0.02 . 1 . . . . 1 MET HG3 . 6769 1 7 . 1 1 1 1 MET HE1 H 1 0.829 0.02 . 1 . . . . 1 MET HE . 6769 1 8 . 1 1 1 1 MET HE2 H 1 0.829 0.02 . 1 . . . . 1 MET HE . 6769 1 9 . 1 1 1 1 MET HE3 H 1 0.829 0.02 . 1 . . . . 1 MET HE . 6769 1 10 . 1 1 1 1 MET C C 13 177.410 0.4 . 1 . . . . 1 MET C . 6769 1 11 . 1 1 1 1 MET CA C 13 56.050 0.4 . 1 . . . . 1 MET CA . 6769 1 12 . 1 1 1 1 MET CB C 13 32.688 0.4 . 1 . . . . 1 MET CB . 6769 1 13 . 1 1 1 1 MET CG C 13 32.106 0.4 . 1 . . . . 1 MET CG . 6769 1 14 . 1 1 1 1 MET N N 15 121.225 0.4 . 1 . . . . 1 MET N . 6769 1 15 . 1 1 2 2 GLN H H 1 8.512 0.02 . 1 . . . . 2 GLN H . 6769 1 16 . 1 1 2 2 GLN HA H 1 3.960 0.02 . 1 . . . . 2 GLN HA . 6769 1 17 . 1 1 2 2 GLN HB2 H 1 1.621 0.02 . 1 . . . . 2 GLN HB2 . 6769 1 18 . 1 1 2 2 GLN HB3 H 1 1.845 0.02 . 1 . . . . 2 GLN HB3 . 6769 1 19 . 1 1 2 2 GLN HG2 H 1 1.810 0.02 . 1 . . . . 2 GLN HG2 . 6769 1 20 . 1 1 2 2 GLN HG3 H 1 1.981 0.02 . 1 . . . . 2 GLN HG3 . 6769 1 21 . 1 1 2 2 GLN HE21 H 1 6.852 0.02 . 1 . . . . 2 GLN HE21 . 6769 1 22 . 1 1 2 2 GLN HE22 H 1 7.578 0.02 . 1 . . . . 2 GLN HE22 . 6769 1 23 . 1 1 2 2 GLN C C 13 177.290 0.4 . 1 . . . . 2 GLN C . 6769 1 24 . 1 1 2 2 GLN CA C 13 58.539 0.4 . 1 . . . . 2 GLN CA . 6769 1 25 . 1 1 2 2 GLN CB C 13 28.670 0.4 . 1 . . . . 2 GLN CB . 6769 1 26 . 1 1 2 2 GLN CG C 13 33.140 0.4 . 1 . . . . 2 GLN CG . 6769 1 27 . 1 1 2 2 GLN N N 15 121.051 0.4 . 1 . . . . 2 GLN N . 6769 1 28 . 1 1 2 2 GLN NE2 N 15 112.471 0.4 . 1 . . . . 2 GLN NE2 . 6769 1 29 . 1 1 3 3 HIS H H 1 8.212 0.02 . 1 . . . . 3 HIS H . 6769 1 30 . 1 1 3 3 HIS HA H 1 5.100 0.02 . 1 . . . . 3 HIS HA . 6769 1 31 . 1 1 3 3 HIS HB2 H 1 2.861 0.02 . 1 . . . . 3 HIS HB2 . 6769 1 32 . 1 1 3 3 HIS HB3 H 1 3.378 0.02 . 1 . . . . 3 HIS HB3 . 6769 1 33 . 1 1 3 3 HIS C C 13 175.510 0.4 . 1 . . . . 3 HIS C . 6769 1 34 . 1 1 3 3 HIS CA C 13 56.412 0.4 . 1 . . . . 3 HIS CA . 6769 1 35 . 1 1 3 3 HIS CB C 13 30.500 0.4 . 1 . . . . 3 HIS CB . 6769 1 36 . 1 1 3 3 HIS N N 15 116.135 0.4 . 1 . . . . 3 HIS N . 6769 1 37 . 1 1 4 4 LEU H H 1 7.447 0.02 . 1 . . . . 4 LEU H . 6769 1 38 . 1 1 4 4 LEU HA H 1 3.695 0.02 . 1 . . . . 4 LEU HA . 6769 1 39 . 1 1 4 4 LEU HB2 H 1 1.627 0.02 . 1 . . . . 4 LEU HB2 . 6769 1 40 . 1 1 4 4 LEU HB3 H 1 1.807 0.02 . 1 . . . . 4 LEU HB3 . 6769 1 41 . 1 1 4 4 LEU HG H 1 1.531 0.02 . 1 . . . . 4 LEU HG . 6769 1 42 . 1 1 4 4 LEU HD11 H 1 0.804 0.02 . 1 . . . . 4 LEU HD1 . 6769 1 43 . 1 1 4 4 LEU HD12 H 1 0.804 0.02 . 1 . . . . 4 LEU HD1 . 6769 1 44 . 1 1 4 4 LEU HD13 H 1 0.804 0.02 . 1 . . . . 4 LEU HD1 . 6769 1 45 . 1 1 4 4 LEU HD21 H 1 0.824 0.02 . 1 . . . . 4 LEU HD2 . 6769 1 46 . 1 1 4 4 LEU HD22 H 1 0.824 0.02 . 1 . . . . 4 LEU HD2 . 6769 1 47 . 1 1 4 4 LEU HD23 H 1 0.824 0.02 . 1 . . . . 4 LEU HD2 . 6769 1 48 . 1 1 4 4 LEU C C 13 177.620 0.4 . 1 . . . . 4 LEU C . 6769 1 49 . 1 1 4 4 LEU CA C 13 59.711 0.4 . 1 . . . . 4 LEU CA . 6769 1 50 . 1 1 4 4 LEU CB C 13 42.240 0.4 . 1 . . . . 4 LEU CB . 6769 1 51 . 1 1 4 4 LEU CG C 13 27.309 0.4 . 1 . . . . 4 LEU CG . 6769 1 52 . 1 1 4 4 LEU CD1 C 13 25.419 0.4 . 1 . . . . 4 LEU CD1 . 6769 1 53 . 1 1 4 4 LEU CD2 C 13 25.419 0.4 . 1 . . . . 4 LEU CD2 . 6769 1 54 . 1 1 4 4 LEU N N 15 120.892 0.4 . 1 . . . . 4 LEU N . 6769 1 55 . 1 1 5 5 GLU H H 1 8.555 0.02 . 1 . . . . 5 GLU H . 6769 1 56 . 1 1 5 5 GLU HA H 1 3.894 0.02 . 1 . . . . 5 GLU HA . 6769 1 57 . 1 1 5 5 GLU HB2 H 1 2.061 0.02 . 1 . . . . 5 GLU HB2 . 6769 1 58 . 1 1 5 5 GLU HB3 H 1 2.300 0.02 . 1 . . . . 5 GLU HB3 . 6769 1 59 . 1 1 5 5 GLU HG2 H 1 2.300 0.02 . 1 . . . . 5 GLU HG2 . 6769 1 60 . 1 1 5 5 GLU HG3 H 1 2.300 0.02 . 1 . . . . 5 GLU HG3 . 6769 1 61 . 1 1 5 5 GLU C C 13 178.150 0.4 . 1 . . . . 5 GLU C . 6769 1 62 . 1 1 5 5 GLU CA C 13 59.606 0.4 . 1 . . . . 5 GLU CA . 6769 1 63 . 1 1 5 5 GLU CB C 13 28.950 0.4 . 1 . . . . 5 GLU CB . 6769 1 64 . 1 1 5 5 GLU CG C 13 36.020 0.4 . 1 . . . . 5 GLU CG . 6769 1 65 . 1 1 6 6 ALA H H 1 8.203 0.02 . 1 . . . . 6 ALA H . 6769 1 66 . 1 1 6 6 ALA HA H 1 4.127 0.02 . 1 . . . . 6 ALA HA . 6769 1 67 . 1 1 6 6 ALA HB1 H 1 1.546 0.02 . 1 . . . . 6 ALA HB . 6769 1 68 . 1 1 6 6 ALA HB2 H 1 1.546 0.02 . 1 . . . . 6 ALA HB . 6769 1 69 . 1 1 6 6 ALA HB3 H 1 1.546 0.02 . 1 . . . . 6 ALA HB . 6769 1 70 . 1 1 6 6 ALA C C 13 180.400 0.4 . 1 . . . . 6 ALA C . 6769 1 71 . 1 1 6 6 ALA CA C 13 55.180 0.4 . 1 . . . . 6 ALA CA . 6769 1 72 . 1 1 6 6 ALA CB C 13 18.815 0.4 . 1 . . . . 6 ALA CB . 6769 1 73 . 1 1 6 6 ALA N N 15 121.324 0.4 . 1 . . . . 6 ALA N . 6769 1 74 . 1 1 7 7 VAL H H 1 8.390 0.02 . 1 . . . . 7 VAL H . 6769 1 75 . 1 1 7 7 VAL HA H 1 3.513 0.02 . 1 . . . . 7 VAL HA . 6769 1 76 . 1 1 7 7 VAL HB H 1 2.174 0.02 . 1 . . . . 7 VAL HB . 6769 1 77 . 1 1 7 7 VAL HG11 H 1 0.881 0.02 . 1 . . . . 7 VAL HG1 . 6769 1 78 . 1 1 7 7 VAL HG12 H 1 0.881 0.02 . 1 . . . . 7 VAL HG1 . 6769 1 79 . 1 1 7 7 VAL HG13 H 1 0.881 0.02 . 1 . . . . 7 VAL HG1 . 6769 1 80 . 1 1 7 7 VAL HG21 H 1 1.152 0.02 . 1 . . . . 7 VAL HG2 . 6769 1 81 . 1 1 7 7 VAL HG22 H 1 1.152 0.02 . 1 . . . . 7 VAL HG2 . 6769 1 82 . 1 1 7 7 VAL HG23 H 1 1.152 0.02 . 1 . . . . 7 VAL HG2 . 6769 1 83 . 1 1 7 7 VAL C C 13 177.020 0.4 . 1 . . . . 7 VAL C . 6769 1 84 . 1 1 7 7 VAL CA C 13 67.350 0.4 . 1 . . . . 7 VAL CA . 6769 1 85 . 1 1 7 7 VAL CB C 13 31.495 0.4 . 1 . . . . 7 VAL CB . 6769 1 86 . 1 1 7 7 VAL CG1 C 13 17.670 0.4 . 1 . . . . 7 VAL CG1 . 6769 1 87 . 1 1 7 7 VAL N N 15 116.298 0.4 . 1 . . . . 7 VAL N . 6769 1 88 . 1 1 8 8 ARG H H 1 8.782 0.02 . 1 . . . . 8 ARG H . 6769 1 89 . 1 1 8 8 ARG HA H 1 3.661 0.02 . 1 . . . . 8 ARG HA . 6769 1 90 . 1 1 8 8 ARG HB2 H 1 1.765 0.02 . 1 . . . . 8 ARG HB2 . 6769 1 91 . 1 1 8 8 ARG HB3 H 1 2.160 0.02 . 1 . . . . 8 ARG HB3 . 6769 1 92 . 1 1 8 8 ARG HG2 H 1 1.360 0.02 . 1 . . . . 8 ARG HG2 . 6769 1 93 . 1 1 8 8 ARG HG3 H 1 1.548 0.02 . 1 . . . . 8 ARG HG3 . 6769 1 94 . 1 1 8 8 ARG HD2 H 1 3.005 0.02 . 1 . . . . 8 ARG HD2 . 6769 1 95 . 1 1 8 8 ARG HD3 H 1 3.471 0.02 . 1 . . . . 8 ARG HD3 . 6769 1 96 . 1 1 8 8 ARG C C 13 177.790 0.4 . 1 . . . . 8 ARG C . 6769 1 97 . 1 1 8 8 ARG CA C 13 60.685 0.4 . 1 . . . . 8 ARG CA . 6769 1 98 . 1 1 8 8 ARG CB C 13 30.500 0.4 . 1 . . . . 8 ARG CB . 6769 1 99 . 1 1 8 8 ARG CG C 13 26.905 0.4 . 1 . . . . 8 ARG CG . 6769 1 100 . 1 1 8 8 ARG CD C 13 44.030 0.4 . 1 . . . . 8 ARG CD . 6769 1 101 . 1 1 8 8 ARG N N 15 120.951 0.4 . 1 . . . . 8 ARG N . 6769 1 102 . 1 1 9 9 ASN H H 1 8.140 0.02 . 1 . . . . 9 ASN H . 6769 1 103 . 1 1 9 9 ASN HA H 1 4.278 0.02 . 1 . . . . 9 ASN HA . 6769 1 104 . 1 1 9 9 ASN HB2 H 1 2.839 0.02 . 1 . . . . 9 ASN HB2 . 6769 1 105 . 1 1 9 9 ASN HB3 H 1 2.898 0.02 . 1 . . . . 9 ASN HB3 . 6769 1 106 . 1 1 9 9 ASN HD21 H 1 7.180 0.02 . 1 . . . . 9 ASN HD21 . 6769 1 107 . 1 1 9 9 ASN HD22 H 1 7.564 0.02 . 1 . . . . 9 ASN HD22 . 6769 1 108 . 1 1 9 9 ASN C C 13 177.800 0.4 . 1 . . . . 9 ASN C . 6769 1 109 . 1 1 9 9 ASN CA C 13 56.150 0.4 . 1 . . . . 9 ASN CA . 6769 1 110 . 1 1 9 9 ASN CB C 13 37.600 0.4 . 1 . . . . 9 ASN CB . 6769 1 111 . 1 1 9 9 ASN N N 15 117.392 0.4 . 1 . . . . 9 ASN N . 6769 1 112 . 1 1 9 9 ASN ND2 N 15 113.780 0.4 . 1 . . . . 9 ASN ND2 . 6769 1 113 . 1 1 10 10 ILE H H 1 8.134 0.02 . 1 . . . . 10 ILE H . 6769 1 114 . 1 1 10 10 ILE HA H 1 3.788 0.02 . 1 . . . . 10 ILE HA . 6769 1 115 . 1 1 10 10 ILE HB H 1 1.776 0.02 . 1 . . . . 10 ILE HB . 6769 1 116 . 1 1 10 10 ILE HG12 H 1 0.842 0.02 . 1 . . . . 10 ILE HG12 . 6769 1 117 . 1 1 10 10 ILE HG13 H 1 1.464 0.02 . 1 . . . . 10 ILE HG13 . 6769 1 118 . 1 1 10 10 ILE HG21 H 1 0.866 0.02 . 1 . . . . 10 ILE HG2 . 6769 1 119 . 1 1 10 10 ILE HG22 H 1 0.866 0.02 . 1 . . . . 10 ILE HG2 . 6769 1 120 . 1 1 10 10 ILE HG23 H 1 0.866 0.02 . 1 . . . . 10 ILE HG2 . 6769 1 121 . 1 1 10 10 ILE HD11 H 1 0.303 0.02 . 1 . . . . 10 ILE HD1 . 6769 1 122 . 1 1 10 10 ILE HD12 H 1 0.303 0.02 . 1 . . . . 10 ILE HD1 . 6769 1 123 . 1 1 10 10 ILE HD13 H 1 0.303 0.02 . 1 . . . . 10 ILE HD1 . 6769 1 124 . 1 1 10 10 ILE C C 13 177.850 0.4 . 1 . . . . 10 ILE C . 6769 1 125 . 1 1 10 10 ILE CA C 13 60.305 0.4 . 1 . . . . 10 ILE CA . 6769 1 126 . 1 1 10 10 ILE CB C 13 38.752 0.4 . 1 . . . . 10 ILE CB . 6769 1 127 . 1 1 10 10 ILE CG1 C 13 29.424 0.4 . 1 . . . . 10 ILE CG1 . 6769 1 128 . 1 1 10 10 ILE CG2 C 13 17.667 0.4 . 1 . . . . 10 ILE CG2 . 6769 1 129 . 1 1 10 10 ILE CD1 C 13 14.069 0.4 . 1 . . . . 10 ILE CD1 . 6769 1 130 . 1 1 10 10 ILE N N 15 122.889 0.4 . 1 . . . . 10 ILE N . 6769 1 131 . 1 1 11 11 LEU H H 1 8.633 0.02 . 1 . . . . 11 LEU H . 6769 1 132 . 1 1 11 11 LEU HA H 1 3.783 0.02 . 1 . . . . 11 LEU HA . 6769 1 133 . 1 1 11 11 LEU HB2 H 1 1.387 0.02 . 1 . . . . 11 LEU HB2 . 6769 1 134 . 1 1 11 11 LEU HB3 H 1 1.804 0.02 . 1 . . . . 11 LEU HB3 . 6769 1 135 . 1 1 11 11 LEU HG H 1 0.844 0.02 . 1 . . . . 11 LEU HG . 6769 1 136 . 1 1 11 11 LEU HD11 H 1 0.850 0.02 . 1 . . . . 11 LEU HD1 . 6769 1 137 . 1 1 11 11 LEU HD12 H 1 0.850 0.02 . 1 . . . . 11 LEU HD1 . 6769 1 138 . 1 1 11 11 LEU HD13 H 1 0.850 0.02 . 1 . . . . 11 LEU HD1 . 6769 1 139 . 1 1 11 11 LEU HD21 H 1 0.820 0.02 . 1 . . . . 11 LEU HD2 . 6769 1 140 . 1 1 11 11 LEU HD22 H 1 0.820 0.02 . 1 . . . . 11 LEU HD2 . 6769 1 141 . 1 1 11 11 LEU HD23 H 1 0.820 0.02 . 1 . . . . 11 LEU HD2 . 6769 1 142 . 1 1 11 11 LEU C C 13 179.020 0.4 . 1 . . . . 11 LEU C . 6769 1 143 . 1 1 11 11 LEU CA C 13 58.725 0.4 . 1 . . . . 11 LEU CA . 6769 1 144 . 1 1 11 11 LEU CB C 13 42.116 0.4 . 1 . . . . 11 LEU CB . 6769 1 145 . 1 1 11 11 LEU CG C 13 26.905 0.4 . 1 . . . . 11 LEU CG . 6769 1 146 . 1 1 11 11 LEU CD2 C 13 24.880 0.4 . 1 . . . . 11 LEU CD2 . 6769 1 147 . 1 1 11 11 LEU N N 15 119.097 0.4 . 1 . . . . 11 LEU N . 6769 1 148 . 1 1 12 12 GLY H H 1 8.512 0.02 . 1 . . . . 12 GLY H . 6769 1 149 . 1 1 12 12 GLY HA2 H 1 3.460 0.02 . 1 . . . . 12 GLY HA2 . 6769 1 150 . 1 1 12 12 GLY HA3 H 1 3.773 0.02 . 1 . . . . 12 GLY HA3 . 6769 1 151 . 1 1 12 12 GLY C C 13 175.190 0.4 . 1 . . . . 12 GLY C . 6769 1 152 . 1 1 12 12 GLY CA C 13 47.740 0.4 . 1 . . . . 12 GLY CA . 6769 1 153 . 1 1 12 12 GLY N N 15 103.060 0.4 . 1 . . . . 12 GLY N . 6769 1 154 . 1 1 13 13 ASP H H 1 7.967 0.02 . 1 . . . . 13 ASP H . 6769 1 155 . 1 1 13 13 ASP HA H 1 4.585 0.02 . 1 . . . . 13 ASP HA . 6769 1 156 . 1 1 13 13 ASP HB2 H 1 2.744 0.02 . 1 . . . . 13 ASP HB2 . 6769 1 157 . 1 1 13 13 ASP HB3 H 1 2.807 0.02 . 1 . . . . 13 ASP HB3 . 6769 1 158 . 1 1 13 13 ASP C C 13 178.930 0.4 . 1 . . . . 13 ASP C . 6769 1 159 . 1 1 13 13 ASP CA C 13 56.860 0.4 . 1 . . . . 13 ASP CA . 6769 1 160 . 1 1 13 13 ASP CB C 13 40.980 0.4 . 1 . . . . 13 ASP CB . 6769 1 161 . 1 1 13 13 ASP N N 15 121.557 0.4 . 1 . . . . 13 ASP N . 6769 1 162 . 1 1 14 14 VAL H H 1 8.765 0.02 . 1 . . . . 14 VAL H . 6769 1 163 . 1 1 14 14 VAL HA H 1 3.676 0.02 . 1 . . . . 14 VAL HA . 6769 1 164 . 1 1 14 14 VAL HB H 1 1.900 0.02 . 1 . . . . 14 VAL HB . 6769 1 165 . 1 1 14 14 VAL HG11 H 1 0.886 0.02 . 1 . . . . 14 VAL HG1 . 6769 1 166 . 1 1 14 14 VAL HG12 H 1 0.886 0.02 . 1 . . . . 14 VAL HG1 . 6769 1 167 . 1 1 14 14 VAL HG13 H 1 0.886 0.02 . 1 . . . . 14 VAL HG1 . 6769 1 168 . 1 1 14 14 VAL HG21 H 1 1.045 0.02 . 1 . . . . 14 VAL HG2 . 6769 1 169 . 1 1 14 14 VAL HG22 H 1 1.045 0.02 . 1 . . . . 14 VAL HG2 . 6769 1 170 . 1 1 14 14 VAL HG23 H 1 1.045 0.02 . 1 . . . . 14 VAL HG2 . 6769 1 171 . 1 1 14 14 VAL C C 13 177.800 0.4 . 1 . . . . 14 VAL C . 6769 1 172 . 1 1 14 14 VAL CA C 13 60.025 0.4 . 1 . . . . 14 VAL CA . 6769 1 173 . 1 1 14 14 VAL CB C 13 32.238 0.4 . 1 . . . . 14 VAL CB . 6769 1 174 . 1 1 14 14 VAL CG1 C 13 22.450 0.4 . 1 . . . . 14 VAL CG1 . 6769 1 175 . 1 1 14 14 VAL CG2 C 13 23.685 0.4 . 1 . . . . 14 VAL CG2 . 6769 1 176 . 1 1 14 14 VAL N N 15 120.177 0.4 . 1 . . . . 14 VAL N . 6769 1 177 . 1 1 15 15 LEU H H 1 7.940 0.02 . 1 . . . . 15 LEU H . 6769 1 178 . 1 1 15 15 LEU HA H 1 4.276 0.02 . 1 . . . . 15 LEU HA . 6769 1 179 . 1 1 15 15 LEU HB2 H 1 1.435 0.02 . 1 . . . . 15 LEU HB2 . 6769 1 180 . 1 1 15 15 LEU HB3 H 1 1.755 0.02 . 1 . . . . 15 LEU HB3 . 6769 1 181 . 1 1 15 15 LEU HG H 1 1.755 0.02 . 1 . . . . 15 LEU HG . 6769 1 182 . 1 1 15 15 LEU HD11 H 1 0.769 0.02 . 1 . . . . 15 LEU HD1 . 6769 1 183 . 1 1 15 15 LEU HD12 H 1 0.769 0.02 . 1 . . . . 15 LEU HD1 . 6769 1 184 . 1 1 15 15 LEU HD13 H 1 0.769 0.02 . 1 . . . . 15 LEU HD1 . 6769 1 185 . 1 1 15 15 LEU HD21 H 1 0.686 0.02 . 1 . . . . 15 LEU HD2 . 6769 1 186 . 1 1 15 15 LEU HD22 H 1 0.686 0.02 . 1 . . . . 15 LEU HD2 . 6769 1 187 . 1 1 15 15 LEU HD23 H 1 0.686 0.02 . 1 . . . . 15 LEU HD2 . 6769 1 188 . 1 1 15 15 LEU C C 13 175.470 0.4 . 1 . . . . 15 LEU C . 6769 1 189 . 1 1 15 15 LEU CA C 13 54.285 0.4 . 1 . . . . 15 LEU CA . 6769 1 190 . 1 1 15 15 LEU CB C 13 40.576 0.4 . 1 . . . . 15 LEU CB . 6769 1 191 . 1 1 15 15 LEU CG C 13 26.887 0.4 . 1 . . . . 15 LEU CG . 6769 1 192 . 1 1 15 15 LEU CD1 C 13 25.840 0.4 . 1 . . . . 15 LEU CD1 . 6769 1 193 . 1 1 15 15 LEU CD2 C 13 23.031 0.4 . 1 . . . . 15 LEU CD2 . 6769 1 194 . 1 1 15 15 LEU N N 15 113.960 0.4 . 1 . . . . 15 LEU N . 6769 1 195 . 1 1 16 16 ASN H H 1 7.553 0.02 . 1 . . . . 16 ASN H . 6769 1 196 . 1 1 16 16 ASN HA H 1 4.545 0.02 . 1 . . . . 16 ASN HA . 6769 1 197 . 1 1 16 16 ASN HB2 H 1 2.679 0.02 . 1 . . . . 16 ASN HB2 . 6769 1 198 . 1 1 16 16 ASN HB3 H 1 3.151 0.02 . 1 . . . . 16 ASN HB3 . 6769 1 199 . 1 1 16 16 ASN HD21 H 1 6.795 0.02 . 1 . . . . 16 ASN HD21 . 6769 1 200 . 1 1 16 16 ASN HD22 H 1 7.564 0.02 . 1 . . . . 16 ASN HD22 . 6769 1 201 . 1 1 16 16 ASN C C 13 175.490 0.4 . 1 . . . . 16 ASN C . 6769 1 202 . 1 1 16 16 ASN CA C 13 53.831 0.4 . 1 . . . . 16 ASN CA . 6769 1 203 . 1 1 16 16 ASN CB C 13 36.722 0.4 . 1 . . . . 16 ASN CB . 6769 1 204 . 1 1 16 16 ASN N N 15 116.194 0.4 . 1 . . . . 16 ASN N . 6769 1 205 . 1 1 16 16 ASN ND2 N 15 113.389 0.4 . 1 . . . . 16 ASN ND2 . 6769 1 206 . 1 1 17 17 LEU H H 1 8.229 0.02 . 1 . . . . 17 LEU H . 6769 1 207 . 1 1 17 17 LEU HA H 1 4.072 0.02 . 1 . . . . 17 LEU HA . 6769 1 208 . 1 1 17 17 LEU HB2 H 1 1.273 0.02 . 1 . . . . 17 LEU HB2 . 6769 1 209 . 1 1 17 17 LEU HB3 H 1 1.537 0.02 . 1 . . . . 17 LEU HB3 . 6769 1 210 . 1 1 17 17 LEU HG H 1 1.672 0.02 . 1 . . . . 17 LEU HG . 6769 1 211 . 1 1 17 17 LEU HD11 H 1 0.613 0.02 . 1 . . . . 17 LEU HD1 . 6769 1 212 . 1 1 17 17 LEU HD12 H 1 0.613 0.02 . 1 . . . . 17 LEU HD1 . 6769 1 213 . 1 1 17 17 LEU HD13 H 1 0.613 0.02 . 1 . . . . 17 LEU HD1 . 6769 1 214 . 1 1 17 17 LEU HD21 H 1 0.629 0.02 . 1 . . . . 17 LEU HD2 . 6769 1 215 . 1 1 17 17 LEU HD22 H 1 0.629 0.02 . 1 . . . . 17 LEU HD2 . 6769 1 216 . 1 1 17 17 LEU HD23 H 1 0.629 0.02 . 1 . . . . 17 LEU HD2 . 6769 1 217 . 1 1 17 17 LEU C C 13 178.390 0.4 . 1 . . . . 17 LEU C . 6769 1 218 . 1 1 17 17 LEU CA C 13 55.552 0.4 . 1 . . . . 17 LEU CA . 6769 1 219 . 1 1 17 17 LEU CB C 13 43.380 0.4 . 1 . . . . 17 LEU CB . 6769 1 220 . 1 1 17 17 LEU CG C 13 26.363 0.4 . 1 . . . . 17 LEU CG . 6769 1 221 . 1 1 17 17 LEU CD1 C 13 25.361 0.4 . 1 . . . . 17 LEU CD1 . 6769 1 222 . 1 1 17 17 LEU CD2 C 13 22.062 0.4 . 1 . . . . 17 LEU CD2 . 6769 1 223 . 1 1 17 17 LEU N N 15 114.036 0.4 . 1 . . . . 17 LEU N . 6769 1 224 . 1 1 18 18 GLY H H 1 8.676 0.02 . 1 . . . . 18 GLY H . 6769 1 225 . 1 1 18 18 GLY HA2 H 1 3.717 0.02 . 1 . . . . 18 GLY HA2 . 6769 1 226 . 1 1 18 18 GLY HA3 H 1 3.930 0.02 . 1 . . . . 18 GLY HA3 . 6769 1 227 . 1 1 18 18 GLY C C 13 176.680 0.4 . 1 . . . . 18 GLY C . 6769 1 228 . 1 1 18 18 GLY CA C 13 46.380 0.4 . 1 . . . . 18 GLY CA . 6769 1 229 . 1 1 18 18 GLY N N 15 108.914 0.4 . 1 . . . . 18 GLY N . 6769 1 230 . 1 1 19 19 GLU H H 1 7.140 0.02 . 1 . . . . 19 GLU H . 6769 1 231 . 1 1 19 19 GLU HA H 1 4.130 0.02 . 1 . . . . 19 GLU HA . 6769 1 232 . 1 1 19 19 GLU HB2 H 1 2.102 0.02 . 1 . . . . 19 GLU HB2 . 6769 1 233 . 1 1 19 19 GLU HB3 H 1 2.269 0.02 . 1 . . . . 19 GLU HB3 . 6769 1 234 . 1 1 19 19 GLU HG2 H 1 2.401 0.02 . 1 . . . . 19 GLU HG2 . 6769 1 235 . 1 1 19 19 GLU HG3 H 1 2.501 0.02 . 1 . . . . 19 GLU HG3 . 6769 1 236 . 1 1 19 19 GLU C C 13 178.360 0.4 . 1 . . . . 19 GLU C . 6769 1 237 . 1 1 19 19 GLU CA C 13 58.219 0.4 . 1 . . . . 19 GLU CA . 6769 1 238 . 1 1 19 19 GLU CB C 13 29.314 0.4 . 1 . . . . 19 GLU CB . 6769 1 239 . 1 1 19 19 GLU CG C 13 36.881 0.4 . 1 . . . . 19 GLU CG . 6769 1 240 . 1 1 20 20 ARG H H 1 7.978 0.02 . 1 . . . . 20 ARG H . 6769 1 241 . 1 1 20 20 ARG HA H 1 4.185 0.02 . 1 . . . . 20 ARG HA . 6769 1 242 . 1 1 20 20 ARG HB2 H 1 1.838 0.02 . 1 . . . . 20 ARG HB2 . 6769 1 243 . 1 1 20 20 ARG HB3 H 1 2.043 0.02 . 1 . . . . 20 ARG HB3 . 6769 1 244 . 1 1 20 20 ARG HG2 H 1 1.813 0.02 . 1 . . . . 20 ARG HG2 . 6769 1 245 . 1 1 20 20 ARG HG3 H 1 1.813 0.02 . 1 . . . . 20 ARG HG3 . 6769 1 246 . 1 1 20 20 ARG HD2 H 1 3.259 0.02 . 1 . . . . 20 ARG HD2 . 6769 1 247 . 1 1 20 20 ARG HD3 H 1 3.359 0.02 . 1 . . . . 20 ARG HD3 . 6769 1 248 . 1 1 20 20 ARG C C 13 178.930 0.4 . 1 . . . . 20 ARG C . 6769 1 249 . 1 1 20 20 ARG CA C 13 58.331 0.4 . 1 . . . . 20 ARG CA . 6769 1 250 . 1 1 20 20 ARG CB C 13 20.954 0.4 . 1 . . . . 20 ARG CB . 6769 1 251 . 1 1 20 20 ARG CG C 13 27.874 0.4 . 1 . . . . 20 ARG CG . 6769 1 252 . 1 1 20 20 ARG CD C 13 43.775 0.4 . 1 . . . . 20 ARG CD . 6769 1 253 . 1 1 20 20 ARG N N 15 118.324 0.4 . 1 . . . . 20 ARG N . 6769 1 254 . 1 1 21 21 LYS H H 1 7.720 0.02 . 1 . . . . 21 LYS H . 6769 1 255 . 1 1 21 21 LYS HA H 1 3.755 0.02 . 1 . . . . 21 LYS HA . 6769 1 256 . 1 1 21 21 LYS HB2 H 1 1.421 0.02 . 1 . . . . 21 LYS HB2 . 6769 1 257 . 1 1 21 21 LYS HB3 H 1 1.712 0.02 . 1 . . . . 21 LYS HB3 . 6769 1 258 . 1 1 21 21 LYS HG2 H 1 0.716 0.02 . 1 . . . . 21 LYS HG2 . 6769 1 259 . 1 1 21 21 LYS HG3 H 1 1.094 0.02 . 1 . . . . 21 LYS HG3 . 6769 1 260 . 1 1 21 21 LYS HD2 H 1 1.548 0.02 . 1 . . . . 21 LYS HD2 . 6769 1 261 . 1 1 21 21 LYS HD3 H 1 1.595 0.02 . 1 . . . . 21 LYS HD3 . 6769 1 262 . 1 1 21 21 LYS HE2 H 1 2.707 0.02 . 1 . . . . 21 LYS HE2 . 6769 1 263 . 1 1 21 21 LYS HE3 H 1 2.707 0.02 . 1 . . . . 21 LYS HE3 . 6769 1 264 . 1 1 21 21 LYS C C 13 176.550 0.4 . 1 . . . . 21 LYS C . 6769 1 265 . 1 1 21 21 LYS CA C 13 59.682 0.4 . 1 . . . . 21 LYS CA . 6769 1 266 . 1 1 21 21 LYS CB C 13 32.000 0.4 . 1 . . . . 21 LYS CB . 6769 1 267 . 1 1 21 21 LYS CG C 13 23.740 0.4 . 1 . . . . 21 LYS CG . 6769 1 268 . 1 1 21 21 LYS CD C 13 29.806 0.4 . 1 . . . . 21 LYS CD . 6769 1 269 . 1 1 21 21 LYS CE C 13 41.930 0.4 . 1 . . . . 21 LYS CE . 6769 1 270 . 1 1 21 21 LYS N N 15 118.225 0.4 . 1 . . . . 21 LYS N . 6769 1 271 . 1 1 22 22 HIS H H 1 7.121 0.02 . 1 . . . . 22 HIS H . 6769 1 272 . 1 1 22 22 HIS HA H 1 4.429 0.02 . 1 . . . . 22 HIS HA . 6769 1 273 . 1 1 22 22 HIS HB2 H 1 3.044 0.02 . 1 . . . . 22 HIS HB2 . 6769 1 274 . 1 1 22 22 HIS HB3 H 1 3.278 0.02 . 1 . . . . 22 HIS HB3 . 6769 1 275 . 1 1 22 22 HIS C C 13 176.290 0.4 . 1 . . . . 22 HIS C . 6769 1 276 . 1 1 22 22 HIS CA C 13 57.912 0.4 . 1 . . . . 22 HIS CA . 6769 1 277 . 1 1 22 22 HIS CB C 13 30.500 0.4 . 1 . . . . 22 HIS CB . 6769 1 278 . 1 1 22 22 HIS N N 15 114.893 0.4 . 1 . . . . 22 HIS N . 6769 1 279 . 1 1 23 23 THR H H 1 7.440 0.02 . 1 . . . . 23 THR H . 6769 1 280 . 1 1 23 23 THR HA H 1 4.355 0.02 . 1 . . . . 23 THR HA . 6769 1 281 . 1 1 23 23 THR HB H 1 4.457 0.02 . 1 . . . . 23 THR HB . 6769 1 282 . 1 1 23 23 THR HG21 H 1 1.252 0.02 . 1 . . . . 23 THR HG2 . 6769 1 283 . 1 1 23 23 THR HG22 H 1 1.252 0.02 . 1 . . . . 23 THR HG2 . 6769 1 284 . 1 1 23 23 THR HG23 H 1 1.252 0.02 . 1 . . . . 23 THR HG2 . 6769 1 285 . 1 1 23 23 THR C C 13 174.650 0.4 . 1 . . . . 23 THR C . 6769 1 286 . 1 1 23 23 THR CA C 13 61.501 0.4 . 1 . . . . 23 THR CA . 6769 1 287 . 1 1 23 23 THR CB C 13 69.056 0.4 . 1 . . . . 23 THR CB . 6769 1 288 . 1 1 23 23 THR CG2 C 13 21.835 0.4 . 1 . . . . 23 THR CG2 . 6769 1 289 . 1 1 23 23 THR N N 15 107.261 0.4 . 1 . . . . 23 THR N . 6769 1 290 . 1 1 24 24 LEU H H 1 7.057 0.02 . 1 . . . . 24 LEU H . 6769 1 291 . 1 1 24 24 LEU HA H 1 4.623 0.02 . 1 . . . . 24 LEU HA . 6769 1 292 . 1 1 24 24 LEU HB2 H 1 1.236 0.02 . 1 . . . . 24 LEU HB2 . 6769 1 293 . 1 1 24 24 LEU HB3 H 1 1.821 0.02 . 1 . . . . 24 LEU HB3 . 6769 1 294 . 1 1 24 24 LEU HG H 1 1.840 0.02 . 1 . . . . 24 LEU HG . 6769 1 295 . 1 1 24 24 LEU HD11 H 1 0.767 0.02 . 1 . . . . 24 LEU HD1 . 6769 1 296 . 1 1 24 24 LEU HD12 H 1 0.767 0.02 . 1 . . . . 24 LEU HD1 . 6769 1 297 . 1 1 24 24 LEU HD13 H 1 0.767 0.02 . 1 . . . . 24 LEU HD1 . 6769 1 298 . 1 1 24 24 LEU HD21 H 1 0.803 0.02 . 1 . . . . 24 LEU HD2 . 6769 1 299 . 1 1 24 24 LEU HD22 H 1 0.803 0.02 . 1 . . . . 24 LEU HD2 . 6769 1 300 . 1 1 24 24 LEU HD23 H 1 0.803 0.02 . 1 . . . . 24 LEU HD2 . 6769 1 301 . 1 1 24 24 LEU C C 13 176.540 0.4 . 1 . . . . 24 LEU C . 6769 1 302 . 1 1 24 24 LEU CA C 13 54.611 0.4 . 1 . . . . 24 LEU CA . 6769 1 303 . 1 1 24 24 LEU CB C 13 43.020 0.4 . 1 . . . . 24 LEU CB . 6769 1 304 . 1 1 24 24 LEU CG C 13 26.517 0.4 . 1 . . . . 24 LEU CG . 6769 1 305 . 1 1 24 24 LEU CD1 C 13 25.936 0.4 . 1 . . . . 24 LEU CD1 . 6769 1 306 . 1 1 24 24 LEU CD2 C 13 22.553 0.4 . 1 . . . . 24 LEU CD2 . 6769 1 307 . 1 1 24 24 LEU N N 15 120.737 0.4 . 1 . . . . 24 LEU N . 6769 1 308 . 1 1 25 25 THR H H 1 9.428 0.02 . 1 . . . . 25 THR H . 6769 1 309 . 1 1 25 25 THR HA H 1 4.608 0.02 . 1 . . . . 25 THR HA . 6769 1 310 . 1 1 25 25 THR HB H 1 4.605 0.02 . 1 . . . . 25 THR HB . 6769 1 311 . 1 1 25 25 THR HG21 H 1 1.171 0.02 . 1 . . . . 25 THR HG2 . 6769 1 312 . 1 1 25 25 THR HG22 H 1 1.171 0.02 . 1 . . . . 25 THR HG2 . 6769 1 313 . 1 1 25 25 THR HG23 H 1 1.171 0.02 . 1 . . . . 25 THR HG2 . 6769 1 314 . 1 1 25 25 THR C C 13 175.520 0.4 . 1 . . . . 25 THR C . 6769 1 315 . 1 1 25 25 THR CA C 13 59.648 0.4 . 1 . . . . 25 THR CA . 6769 1 316 . 1 1 25 25 THR CB C 13 71.660 0.4 . 1 . . . . 25 THR CB . 6769 1 317 . 1 1 25 25 THR CG2 C 13 21.269 0.4 . 1 . . . . 25 THR CG2 . 6769 1 318 . 1 1 25 25 THR N N 15 115.368 0.4 . 1 . . . . 25 THR N . 6769 1 319 . 1 1 26 26 ALA H H 1 9.141 0.02 . 1 . . . . 26 ALA H . 6769 1 320 . 1 1 26 26 ALA HA H 1 3.802 0.02 . 1 . . . . 26 ALA HA . 6769 1 321 . 1 1 26 26 ALA HB1 H 1 1.432 0.02 . 1 . . . . 26 ALA HB . 6769 1 322 . 1 1 26 26 ALA HB2 H 1 1.432 0.02 . 1 . . . . 26 ALA HB . 6769 1 323 . 1 1 26 26 ALA HB3 H 1 1.432 0.02 . 1 . . . . 26 ALA HB . 6769 1 324 . 1 1 26 26 ALA C C 13 178.490 0.4 . 1 . . . . 26 ALA C . 6769 1 325 . 1 1 26 26 ALA CA C 13 55.606 0.4 . 1 . . . . 26 ALA CA . 6769 1 326 . 1 1 26 26 ALA CB C 13 18.781 0.4 . 1 . . . . 26 ALA CB . 6769 1 327 . 1 1 26 26 ALA N N 15 121.516 0.4 . 1 . . . . 26 ALA N . 6769 1 328 . 1 1 27 27 SER H H 1 9.016 0.02 . 1 . . . . 27 SER H . 6769 1 329 . 1 1 28 28 SER H H 1 8.158 0.02 . 1 . . . . 28 SER H . 6769 1 330 . 1 1 28 28 SER HA H 1 4.271 0.02 . 1 . . . . 28 SER HA . 6769 1 331 . 1 1 28 28 SER HB2 H 1 3.879 0.02 . 1 . . . . 28 SER HB2 . 6769 1 332 . 1 1 28 28 SER HB3 H 1 3.995 0.02 . 1 . . . . 28 SER HB3 . 6769 1 333 . 1 1 28 28 SER C C 13 172.900 0.4 . 1 . . . . 28 SER C . 6769 1 334 . 1 1 28 28 SER CA C 13 60.770 0.4 . 1 . . . . 28 SER CA . 6769 1 335 . 1 1 28 28 SER CB C 13 63.799 0.4 . 1 . . . . 28 SER CB . 6769 1 336 . 1 1 28 28 SER N N 15 121.312 0.4 . 1 . . . . 28 SER N . 6769 1 337 . 1 1 29 29 VAL H H 1 8.499 0.02 . 1 . . . . 29 VAL H . 6769 1 338 . 1 1 29 29 VAL HA H 1 4.345 0.02 . 1 . . . . 29 VAL HA . 6769 1 339 . 1 1 29 29 VAL HB H 1 1.869 0.02 . 1 . . . . 29 VAL HB . 6769 1 340 . 1 1 29 29 VAL HG11 H 1 1.019 0.02 . 1 . . . . 29 VAL HG1 . 6769 1 341 . 1 1 29 29 VAL HG12 H 1 1.019 0.02 . 1 . . . . 29 VAL HG1 . 6769 1 342 . 1 1 29 29 VAL HG13 H 1 1.019 0.02 . 1 . . . . 29 VAL HG1 . 6769 1 343 . 1 1 29 29 VAL HG21 H 1 1.085 0.02 . 1 . . . . 29 VAL HG2 . 6769 1 344 . 1 1 29 29 VAL HG22 H 1 1.085 0.02 . 1 . . . . 29 VAL HG2 . 6769 1 345 . 1 1 29 29 VAL HG23 H 1 1.085 0.02 . 1 . . . . 29 VAL HG2 . 6769 1 346 . 1 1 29 29 VAL C C 13 176.640 0.4 . 1 . . . . 29 VAL C . 6769 1 347 . 1 1 29 29 VAL CA C 13 62.365 0.4 . 1 . . . . 29 VAL CA . 6769 1 348 . 1 1 29 29 VAL CB C 13 32.370 0.4 . 1 . . . . 29 VAL CB . 6769 1 349 . 1 1 29 29 VAL CG1 C 13 22.005 0.4 . 1 . . . . 29 VAL CG1 . 6769 1 350 . 1 1 29 29 VAL CG2 C 13 22.005 0.4 . 1 . . . . 29 VAL CG2 . 6769 1 351 . 1 1 29 29 VAL N N 15 126.428 0.4 . 1 . . . . 29 VAL N . 6769 1 352 . 1 1 30 30 LEU H H 1 7.952 0.02 . 1 . . . . 30 LEU H . 6769 1 353 . 1 1 30 30 LEU HA H 1 4.781 0.02 . 1 . . . . 30 LEU HA . 6769 1 354 . 1 1 30 30 LEU HB2 H 1 1.158 0.02 . 1 . . . . 30 LEU HB2 . 6769 1 355 . 1 1 30 30 LEU HB3 H 1 2.356 0.02 . 1 . . . . 30 LEU HB3 . 6769 1 356 . 1 1 30 30 LEU HG H 1 1.497 0.02 . 1 . . . . 30 LEU HG . 6769 1 357 . 1 1 30 30 LEU HD11 H 1 0.670 0.02 . 1 . . . . 30 LEU HD1 . 6769 1 358 . 1 1 30 30 LEU HD12 H 1 0.670 0.02 . 1 . . . . 30 LEU HD1 . 6769 1 359 . 1 1 30 30 LEU HD13 H 1 0.670 0.02 . 1 . . . . 30 LEU HD1 . 6769 1 360 . 1 1 30 30 LEU HD21 H 1 0.730 0.02 . 1 . . . . 30 LEU HD2 . 6769 1 361 . 1 1 30 30 LEU HD22 H 1 0.730 0.02 . 1 . . . . 30 LEU HD2 . 6769 1 362 . 1 1 30 30 LEU HD23 H 1 0.730 0.02 . 1 . . . . 30 LEU HD2 . 6769 1 363 . 1 1 30 30 LEU C C 13 176.610 0.4 . 1 . . . . 30 LEU C . 6769 1 364 . 1 1 30 30 LEU CA C 13 54.500 0.4 . 1 . . . . 30 LEU CA . 6769 1 365 . 1 1 30 30 LEU CB C 13 41.000 0.4 . 1 . . . . 30 LEU CB . 6769 1 366 . 1 1 30 30 LEU CD1 C 13 26.906 0.4 . 1 . . . . 30 LEU CD1 . 6769 1 367 . 1 1 30 30 LEU CD2 C 13 23.612 0.4 . 1 . . . . 30 LEU CD2 . 6769 1 368 . 1 1 30 30 LEU N N 15 125.299 0.4 . 1 . . . . 30 LEU N . 6769 1 369 . 1 1 31 31 LEU H H 1 7.770 0.02 . 1 . . . . 31 LEU H . 6769 1 370 . 1 1 31 31 LEU HA H 1 4.085 0.02 . 1 . . . . 31 LEU HA . 6769 1 371 . 1 1 31 31 LEU HB2 H 1 1.490 0.02 . 1 . . . . 31 LEU HB2 . 6769 1 372 . 1 1 31 31 LEU HB3 H 1 1.670 0.02 . 1 . . . . 31 LEU HB3 . 6769 1 373 . 1 1 31 31 LEU HG H 1 1.145 0.02 . 1 . . . . 31 LEU HG . 6769 1 374 . 1 1 31 31 LEU HD11 H 1 0.713 0.02 . 1 . . . . 31 LEU HD1 . 6769 1 375 . 1 1 31 31 LEU HD12 H 1 0.713 0.02 . 1 . . . . 31 LEU HD1 . 6769 1 376 . 1 1 31 31 LEU HD13 H 1 0.713 0.02 . 1 . . . . 31 LEU HD1 . 6769 1 377 . 1 1 31 31 LEU HD21 H 1 0.793 0.02 . 1 . . . . 31 LEU HD2 . 6769 1 378 . 1 1 31 31 LEU HD22 H 1 0.793 0.02 . 1 . . . . 31 LEU HD2 . 6769 1 379 . 1 1 31 31 LEU HD23 H 1 0.793 0.02 . 1 . . . . 31 LEU HD2 . 6769 1 380 . 1 1 31 31 LEU C C 13 177.690 0.4 . 1 . . . . 31 LEU C . 6769 1 381 . 1 1 31 31 LEU CA C 13 57.451 0.4 . 1 . . . . 31 LEU CA . 6769 1 382 . 1 1 31 31 LEU CB C 13 41.903 0.4 . 1 . . . . 31 LEU CB . 6769 1 383 . 1 1 31 31 LEU CD2 C 13 27.486 0.4 . 1 . . . . 31 LEU CD2 . 6769 1 384 . 1 1 31 31 LEU N N 15 121.963 0.4 . 1 . . . . 31 LEU N . 6769 1 385 . 1 1 32 32 GLY H H 1 9.117 0.02 . 1 . . . . 32 GLY H . 6769 1 386 . 1 1 32 32 GLY HA2 H 1 3.614 0.02 . 1 . . . . 32 GLY HA2 . 6769 1 387 . 1 1 32 32 GLY HA3 H 1 4.315 0.02 . 1 . . . . 32 GLY HA3 . 6769 1 388 . 1 1 32 32 GLY C C 13 173.630 0.4 . 1 . . . . 32 GLY C . 6769 1 389 . 1 1 32 32 GLY CA C 13 45.530 0.4 . 1 . . . . 32 GLY CA . 6769 1 390 . 1 1 32 32 GLY N N 15 114.271 0.4 . 1 . . . . 32 GLY N . 6769 1 391 . 1 1 33 33 ASN H H 1 7.785 0.02 . 1 . . . . 33 ASN H . 6769 1 392 . 1 1 33 33 ASN HA H 1 4.926 0.02 . 1 . . . . 33 ASN HA . 6769 1 393 . 1 1 33 33 ASN HB2 H 1 2.461 0.02 . 1 . . . . 33 ASN HB2 . 6769 1 394 . 1 1 33 33 ASN HB3 H 1 2.629 0.02 . 1 . . . . 33 ASN HB3 . 6769 1 395 . 1 1 33 33 ASN HD21 H 1 7.062 0.02 . 1 . . . . 33 ASN HD21 . 6769 1 396 . 1 1 33 33 ASN HD22 H 1 7.873 0.02 . 1 . . . . 33 ASN HD22 . 6769 1 397 . 1 1 33 33 ASN C C 13 174.440 0.4 . 1 . . . . 33 ASN C . 6769 1 398 . 1 1 33 33 ASN CA C 13 53.810 0.4 . 1 . . . . 33 ASN CA . 6769 1 399 . 1 1 33 33 ASN CB C 13 41.636 0.4 . 1 . . . . 33 ASN CB . 6769 1 400 . 1 1 33 33 ASN N N 15 117.210 0.4 . 1 . . . . 33 ASN N . 6769 1 401 . 1 1 33 33 ASN ND2 N 15 113.782 0.4 . 1 . . . . 33 ASN ND2 . 6769 1 402 . 1 1 34 34 ILE H H 1 7.701 0.02 . 1 . . . . 34 ILE H . 6769 1 403 . 1 1 34 34 ILE HA H 1 4.536 0.02 . 1 . . . . 34 ILE HA . 6769 1 404 . 1 1 34 34 ILE HB H 1 1.963 0.02 . 1 . . . . 34 ILE HB . 6769 1 405 . 1 1 34 34 ILE HG12 H 1 1.490 0.02 . 1 . . . . 34 ILE HG12 . 6769 1 406 . 1 1 34 34 ILE HG13 H 1 1.759 0.02 . 1 . . . . 34 ILE HG13 . 6769 1 407 . 1 1 34 34 ILE HG21 H 1 0.994 0.02 . 1 . . . . 34 ILE HG2 . 6769 1 408 . 1 1 34 34 ILE HG22 H 1 0.994 0.02 . 1 . . . . 34 ILE HG2 . 6769 1 409 . 1 1 34 34 ILE HG23 H 1 0.994 0.02 . 1 . . . . 34 ILE HG2 . 6769 1 410 . 1 1 34 34 ILE HD11 H 1 0.860 0.02 . 1 . . . . 34 ILE HD1 . 6769 1 411 . 1 1 34 34 ILE HD12 H 1 0.860 0.02 . 1 . . . . 34 ILE HD1 . 6769 1 412 . 1 1 34 34 ILE HD13 H 1 0.860 0.02 . 1 . . . . 34 ILE HD1 . 6769 1 413 . 1 1 34 34 ILE C C 13 175.530 0.4 . 1 . . . . 34 ILE C . 6769 1 414 . 1 1 34 34 ILE CA C 13 58.025 0.4 . 1 . . . . 34 ILE CA . 6769 1 415 . 1 1 34 34 ILE CB C 13 37.942 0.4 . 1 . . . . 34 ILE CB . 6769 1 416 . 1 1 34 34 ILE CG1 C 13 26.905 0.4 . 1 . . . . 34 ILE CG1 . 6769 1 417 . 1 1 34 34 ILE CG2 C 13 17.984 0.4 . 1 . . . . 34 ILE CG2 . 6769 1 418 . 1 1 34 34 ILE CD1 C 13 12.949 0.4 . 1 . . . . 34 ILE CD1 . 6769 1 419 . 1 1 34 34 ILE N N 15 119.467 0.4 . 1 . . . . 34 ILE N . 6769 1 420 . 1 1 35 35 PRO HA H 1 4.172 0.02 . 1 . . . . 35 PRO HA . 6769 1 421 . 1 1 35 35 PRO HB2 H 1 1.868 0.02 . 1 . . . . 35 PRO HB2 . 6769 1 422 . 1 1 35 35 PRO HB3 H 1 2.294 0.02 . 1 . . . . 35 PRO HB3 . 6769 1 423 . 1 1 35 35 PRO HG2 H 1 1.972 0.02 . 1 . . . . 35 PRO HG2 . 6769 1 424 . 1 1 35 35 PRO HG3 H 1 2.065 0.02 . 1 . . . . 35 PRO HG3 . 6769 1 425 . 1 1 35 35 PRO HD2 H 1 3.868 0.02 . 1 . . . . 35 PRO HD2 . 6769 1 426 . 1 1 35 35 PRO HD3 H 1 4.100 0.02 . 1 . . . . 35 PRO HD3 . 6769 1 427 . 1 1 35 35 PRO C C 13 177.950 0.4 . 1 . . . . 35 PRO C . 6769 1 428 . 1 1 35 35 PRO CA C 13 65.219 0.4 . 1 . . . . 35 PRO CA . 6769 1 429 . 1 1 35 35 PRO CB C 13 31.834 0.4 . 1 . . . . 35 PRO CB . 6769 1 430 . 1 1 35 35 PRO CG C 13 27.205 0.4 . 1 . . . . 35 PRO CG . 6769 1 431 . 1 1 35 35 PRO CD C 13 51.510 0.4 . 1 . . . . 35 PRO CD . 6769 1 432 . 1 1 36 36 GLU H H 1 9.574 0.02 . 1 . . . . 36 GLU H . 6769 1 433 . 1 1 36 36 GLU HA H 1 3.973 0.02 . 1 . . . . 36 GLU HA . 6769 1 434 . 1 1 36 36 GLU HB2 H 1 1.784 0.02 . 1 . . . . 36 GLU HB2 . 6769 1 435 . 1 1 36 36 GLU HB3 H 1 2.012 0.02 . 1 . . . . 36 GLU HB3 . 6769 1 436 . 1 1 36 36 GLU HG2 H 1 2.295 0.02 . 1 . . . . 36 GLU HG2 . 6769 1 437 . 1 1 36 36 GLU HG3 H 1 2.838 0.02 . 1 . . . . 36 GLU HG3 . 6769 1 438 . 1 1 36 36 GLU C C 13 176.590 0.4 . 1 . . . . 36 GLU C . 6769 1 439 . 1 1 36 36 GLU CA C 13 59.314 0.4 . 1 . . . . 36 GLU CA . 6769 1 440 . 1 1 36 36 GLU CB C 13 29.760 0.4 . 1 . . . . 36 GLU CB . 6769 1 441 . 1 1 36 36 GLU CG C 13 37.126 0.4 . 1 . . . . 36 GLU CG . 6769 1 442 . 1 1 36 36 GLU N N 15 116.010 0.4 . 1 . . . . 36 GLU N . 6769 1 443 . 1 1 37 37 LEU H H 1 7.554 0.02 . 1 . . . . 37 LEU H . 6769 1 444 . 1 1 37 37 LEU HA H 1 4.305 0.02 . 1 . . . . 37 LEU HA . 6769 1 445 . 1 1 37 37 LEU HB2 H 1 0.939 0.02 . 1 . . . . 37 LEU HB2 . 6769 1 446 . 1 1 37 37 LEU HB3 H 1 2.173 0.02 . 1 . . . . 37 LEU HB3 . 6769 1 447 . 1 1 37 37 LEU HG H 1 1.508 0.02 . 1 . . . . 37 LEU HG . 6769 1 448 . 1 1 37 37 LEU HD11 H 1 0.804 0.02 . 1 . . . . 37 LEU HD1 . 6769 1 449 . 1 1 37 37 LEU HD12 H 1 0.804 0.02 . 1 . . . . 37 LEU HD1 . 6769 1 450 . 1 1 37 37 LEU HD13 H 1 0.804 0.02 . 1 . . . . 37 LEU HD1 . 6769 1 451 . 1 1 37 37 LEU HD21 H 1 0.706 0.02 . 1 . . . . 37 LEU HD2 . 6769 1 452 . 1 1 37 37 LEU HD22 H 1 0.706 0.02 . 1 . . . . 37 LEU HD2 . 6769 1 453 . 1 1 37 37 LEU HD23 H 1 0.706 0.02 . 1 . . . . 37 LEU HD2 . 6769 1 454 . 1 1 37 37 LEU C C 13 175.350 0.4 . 1 . . . . 37 LEU C . 6769 1 455 . 1 1 37 37 LEU CA C 13 53.255 0.4 . 1 . . . . 37 LEU CA . 6769 1 456 . 1 1 37 37 LEU CB C 13 41.090 0.4 . 1 . . . . 37 LEU CB . 6769 1 457 . 1 1 37 37 LEU CG C 13 26.955 0.4 . 1 . . . . 37 LEU CG . 6769 1 458 . 1 1 37 37 LEU CD1 C 13 26.711 0.4 . 1 . . . . 37 LEU CD1 . 6769 1 459 . 1 1 37 37 LEU CD2 C 13 23.998 0.4 . 1 . . . . 37 LEU CD2 . 6769 1 460 . 1 1 37 37 LEU N N 15 120.504 0.4 . 1 . . . . 37 LEU N . 6769 1 461 . 1 1 38 38 ASP H H 1 7.527 0.02 . 1 . . . . 38 ASP H . 6769 1 462 . 1 1 38 38 ASP HA H 1 4.712 0.02 . 1 . . . . 38 ASP HA . 6769 1 463 . 1 1 38 38 ASP HB2 H 1 2.670 0.02 . 1 . . . . 38 ASP HB2 . 6769 1 464 . 1 1 38 38 ASP HB3 H 1 3.221 0.02 . 1 . . . . 38 ASP HB3 . 6769 1 465 . 1 1 38 38 ASP C C 13 175.820 0.4 . 1 . . . . 38 ASP C . 6769 1 466 . 1 1 38 38 ASP CA C 13 51.840 0.4 . 1 . . . . 38 ASP CA . 6769 1 467 . 1 1 38 38 ASP CB C 13 41.480 0.4 . 1 . . . . 38 ASP CB . 6769 1 468 . 1 1 38 38 ASP N N 15 125.746 0.4 . 1 . . . . 38 ASP N . 6769 1 469 . 1 1 39 39 SER H H 1 8.616 0.02 . 1 . . . . 39 SER H . 6769 1 470 . 1 1 39 39 SER C C 13 175.850 0.4 . 1 . . . . 39 SER C . 6769 1 471 . 1 1 39 39 SER CA C 13 61.520 0.4 . 1 . . . . 39 SER CA . 6769 1 472 . 1 1 39 39 SER CB C 13 65.750 0.4 . 1 . . . . 39 SER CB . 6769 1 473 . 1 1 39 39 SER N N 15 112.447 0.4 . 1 . . . . 39 SER N . 6769 1 474 . 1 1 40 40 MET H H 1 7.806 0.02 . 1 . . . . 40 MET H . 6769 1 475 . 1 1 40 40 MET HA H 1 4.300 0.02 . 1 . . . . 40 MET HA . 6769 1 476 . 1 1 40 40 MET HB2 H 1 2.109 0.02 . 1 . . . . 40 MET HB2 . 6769 1 477 . 1 1 40 40 MET HB3 H 1 2.065 0.02 . 1 . . . . 40 MET HB3 . 6769 1 478 . 1 1 40 40 MET HG2 H 1 2.588 0.02 . 1 . . . . 40 MET HG2 . 6769 1 479 . 1 1 40 40 MET HG3 H 1 2.590 0.02 . 1 . . . . 40 MET HG3 . 6769 1 480 . 1 1 40 40 MET HE1 H 1 1.055 0.02 . 1 . . . . 40 MET HE . 6769 1 481 . 1 1 40 40 MET HE2 H 1 1.055 0.02 . 1 . . . . 40 MET HE . 6769 1 482 . 1 1 40 40 MET HE3 H 1 1.055 0.02 . 1 . . . . 40 MET HE . 6769 1 483 . 1 1 40 40 MET C C 13 177.760 0.4 . 1 . . . . 40 MET C . 6769 1 484 . 1 1 40 40 MET CA C 13 57.451 0.4 . 1 . . . . 40 MET CA . 6769 1 485 . 1 1 40 40 MET CB C 13 32.076 0.4 . 1 . . . . 40 MET CB . 6769 1 486 . 1 1 40 40 MET CG C 13 32.270 0.4 . 1 . . . . 40 MET CG . 6769 1 487 . 1 1 40 40 MET N N 15 120.968 0.4 . 1 . . . . 40 MET N . 6769 1 488 . 1 1 41 41 ALA H H 1 8.298 0.02 . 1 . . . . 41 ALA H . 6769 1 489 . 1 1 41 41 ALA HA H 1 4.172 0.02 . 1 . . . . 41 ALA HA . 6769 1 490 . 1 1 41 41 ALA HB1 H 1 1.649 0.02 . 1 . . . . 41 ALA HB . 6769 1 491 . 1 1 41 41 ALA HB2 H 1 1.649 0.02 . 1 . . . . 41 ALA HB . 6769 1 492 . 1 1 41 41 ALA HB3 H 1 1.649 0.02 . 1 . . . . 41 ALA HB . 6769 1 493 . 1 1 41 41 ALA C C 13 179.900 0.4 . 1 . . . . 41 ALA C . 6769 1 494 . 1 1 41 41 ALA CA C 13 55.094 0.4 . 1 . . . . 41 ALA CA . 6769 1 495 . 1 1 41 41 ALA CB C 13 19.725 0.4 . 1 . . . . 41 ALA CB . 6769 1 496 . 1 1 41 41 ALA N N 15 123.581 0.4 . 1 . . . . 41 ALA N . 6769 1 497 . 1 1 42 42 VAL H H 1 8.021 0.02 . 1 . . . . 42 VAL H . 6769 1 498 . 1 1 42 42 VAL HA H 1 3.004 0.02 . 1 . . . . 42 VAL HA . 6769 1 499 . 1 1 42 42 VAL HB H 1 1.933 0.02 . 1 . . . . 42 VAL HB . 6769 1 500 . 1 1 42 42 VAL HG11 H 1 0.360 0.02 . 1 . . . . 42 VAL HG1 . 6769 1 501 . 1 1 42 42 VAL HG12 H 1 0.360 0.02 . 1 . . . . 42 VAL HG1 . 6769 1 502 . 1 1 42 42 VAL HG13 H 1 0.360 0.02 . 1 . . . . 42 VAL HG1 . 6769 1 503 . 1 1 42 42 VAL HG21 H 1 0.308 0.02 . 1 . . . . 42 VAL HG2 . 6769 1 504 . 1 1 42 42 VAL HG22 H 1 0.308 0.02 . 1 . . . . 42 VAL HG2 . 6769 1 505 . 1 1 42 42 VAL HG23 H 1 0.308 0.02 . 1 . . . . 42 VAL HG2 . 6769 1 506 . 1 1 42 42 VAL C C 13 177.310 0.4 . 1 . . . . 42 VAL C . 6769 1 507 . 1 1 42 42 VAL CA C 13 67.121 0.4 . 1 . . . . 42 VAL CA . 6769 1 508 . 1 1 42 42 VAL CB C 13 31.110 0.4 . 1 . . . . 42 VAL CB . 6769 1 509 . 1 1 42 42 VAL CG1 C 13 20.865 0.4 . 1 . . . . 42 VAL CG1 . 6769 1 510 . 1 1 42 42 VAL CG2 C 13 21.415 0.4 . 1 . . . . 42 VAL CG2 . 6769 1 511 . 1 1 42 42 VAL N N 15 117.560 0.4 . 1 . . . . 42 VAL N . 6769 1 512 . 1 1 43 43 VAL H H 1 6.935 0.02 . 1 . . . . 43 VAL H . 6769 1 513 . 1 1 43 43 VAL HA H 1 3.567 0.02 . 1 . . . . 43 VAL HA . 6769 1 514 . 1 1 43 43 VAL HB H 1 2.270 0.02 . 1 . . . . 43 VAL HB . 6769 1 515 . 1 1 43 43 VAL HG11 H 1 0.954 0.02 . 1 . . . . 43 VAL HG1 . 6769 1 516 . 1 1 43 43 VAL HG12 H 1 0.954 0.02 . 1 . . . . 43 VAL HG1 . 6769 1 517 . 1 1 43 43 VAL HG13 H 1 0.954 0.02 . 1 . . . . 43 VAL HG1 . 6769 1 518 . 1 1 43 43 VAL HG21 H 1 1.068 0.02 . 1 . . . . 43 VAL HG2 . 6769 1 519 . 1 1 43 43 VAL HG22 H 1 1.068 0.02 . 1 . . . . 43 VAL HG2 . 6769 1 520 . 1 1 43 43 VAL HG23 H 1 1.068 0.02 . 1 . . . . 43 VAL HG2 . 6769 1 521 . 1 1 43 43 VAL C C 13 178.480 0.4 . 1 . . . . 43 VAL C . 6769 1 522 . 1 1 43 43 VAL CA C 13 56.890 0.4 . 1 . . . . 43 VAL CA . 6769 1 523 . 1 1 43 43 VAL CB C 13 31.554 0.4 . 1 . . . . 43 VAL CB . 6769 1 524 . 1 1 43 43 VAL CG1 C 13 21.115 0.4 . 1 . . . . 43 VAL CG1 . 6769 1 525 . 1 1 43 43 VAL CG2 C 13 22.465 0.4 . 1 . . . . 43 VAL CG2 . 6769 1 526 . 1 1 43 43 VAL N N 15 117.828 0.4 . 1 . . . . 43 VAL N . 6769 1 527 . 1 1 44 44 ASN H H 1 7.786 0.02 . 1 . . . . 44 ASN H . 6769 1 528 . 1 1 44 44 ASN HA H 1 4.566 0.02 . 1 . . . . 44 ASN HA . 6769 1 529 . 1 1 44 44 ASN HB2 H 1 2.766 0.02 . 1 . . . . 44 ASN HB2 . 6769 1 530 . 1 1 44 44 ASN HB3 H 1 2.914 0.02 . 1 . . . . 44 ASN HB3 . 6769 1 531 . 1 1 44 44 ASN HD21 H 1 6.886 0.02 . 1 . . . . 44 ASN HD21 . 6769 1 532 . 1 1 44 44 ASN HD22 H 1 7.552 0.02 . 1 . . . . 44 ASN HD22 . 6769 1 533 . 1 1 44 44 ASN C C 13 178.670 0.4 . 1 . . . . 44 ASN C . 6769 1 534 . 1 1 44 44 ASN CA C 13 55.835 0.4 . 1 . . . . 44 ASN CA . 6769 1 535 . 1 1 44 44 ASN CB C 13 37.692 0.4 . 1 . . . . 44 ASN CB . 6769 1 536 . 1 1 44 44 ASN N N 15 118.787 0.4 . 1 . . . . 44 ASN N . 6769 1 537 . 1 1 44 44 ASN ND2 N 15 113.021 0.4 . 1 . . . . 44 ASN ND2 . 6769 1 538 . 1 1 45 45 VAL H H 1 9.053 0.02 . 1 . . . . 45 VAL H . 6769 1 539 . 1 1 45 45 VAL HA H 1 3.617 0.02 . 1 . . . . 45 VAL HA . 6769 1 540 . 1 1 45 45 VAL HB H 1 2.505 0.02 . 1 . . . . 45 VAL HB . 6769 1 541 . 1 1 45 45 VAL HG11 H 1 1.060 0.02 . 1 . . . . 45 VAL HG1 . 6769 1 542 . 1 1 45 45 VAL HG12 H 1 1.060 0.02 . 1 . . . . 45 VAL HG1 . 6769 1 543 . 1 1 45 45 VAL HG13 H 1 1.060 0.02 . 1 . . . . 45 VAL HG1 . 6769 1 544 . 1 1 45 45 VAL HG21 H 1 1.030 0.02 . 1 . . . . 45 VAL HG2 . 6769 1 545 . 1 1 45 45 VAL HG22 H 1 1.030 0.02 . 1 . . . . 45 VAL HG2 . 6769 1 546 . 1 1 45 45 VAL HG23 H 1 1.030 0.02 . 1 . . . . 45 VAL HG2 . 6769 1 547 . 1 1 45 45 VAL C C 13 177.060 0.4 . 1 . . . . 45 VAL C . 6769 1 548 . 1 1 45 45 VAL CA C 13 67.375 0.4 . 1 . . . . 45 VAL CA . 6769 1 549 . 1 1 45 45 VAL CB C 13 31.410 0.4 . 1 . . . . 45 VAL CB . 6769 1 550 . 1 1 45 45 VAL CG1 C 13 21.830 0.4 . 1 . . . . 45 VAL CG1 . 6769 1 551 . 1 1 45 45 VAL CG2 C 13 23.812 0.4 . 1 . . . . 45 VAL CG2 . 6769 1 552 . 1 1 45 45 VAL N N 15 123.353 0.4 . 1 . . . . 45 VAL N . 6769 1 553 . 1 1 46 46 ILE H H 1 8.503 0.02 . 1 . . . . 46 ILE H . 6769 1 554 . 1 1 46 46 ILE HA H 1 3.780 0.02 . 1 . . . . 46 ILE HA . 6769 1 555 . 1 1 46 46 ILE HB H 1 2.328 0.02 . 1 . . . . 46 ILE HB . 6769 1 556 . 1 1 46 46 ILE HG12 H 1 1.513 0.02 . 1 . . . . 46 ILE HG12 . 6769 1 557 . 1 1 46 46 ILE HG13 H 1 1.892 0.02 . 1 . . . . 46 ILE HG13 . 6769 1 558 . 1 1 46 46 ILE HG21 H 1 0.990 0.02 . 1 . . . . 46 ILE HG2 . 6769 1 559 . 1 1 46 46 ILE HG22 H 1 0.990 0.02 . 1 . . . . 46 ILE HG2 . 6769 1 560 . 1 1 46 46 ILE HG23 H 1 0.990 0.02 . 1 . . . . 46 ILE HG2 . 6769 1 561 . 1 1 46 46 ILE HD11 H 1 0.889 0.02 . 1 . . . . 46 ILE HD1 . 6769 1 562 . 1 1 46 46 ILE HD12 H 1 0.889 0.02 . 1 . . . . 46 ILE HD1 . 6769 1 563 . 1 1 46 46 ILE HD13 H 1 0.889 0.02 . 1 . . . . 46 ILE HD1 . 6769 1 564 . 1 1 46 46 ILE C C 13 177.860 0.4 . 1 . . . . 46 ILE C . 6769 1 565 . 1 1 46 46 ILE CA C 13 65.325 0.4 . 1 . . . . 46 ILE CA . 6769 1 566 . 1 1 46 46 ILE CB C 13 36.294 0.4 . 1 . . . . 46 ILE CB . 6769 1 567 . 1 1 46 46 ILE CG1 C 13 28.649 0.4 . 1 . . . . 46 ILE CG1 . 6769 1 568 . 1 1 46 46 ILE CG2 C 13 17.770 0.4 . 1 . . . . 46 ILE CG2 . 6769 1 569 . 1 1 46 46 ILE CD1 C 13 12.169 0.4 . 1 . . . . 46 ILE CD1 . 6769 1 570 . 1 1 46 46 ILE N N 15 120.377 0.4 . 1 . . . . 46 ILE N . 6769 1 571 . 1 1 47 47 THR H H 1 8.510 0.02 . 1 . . . . 47 THR H . 6769 1 572 . 1 1 47 47 THR HA H 1 4.390 0.02 . 1 . . . . 47 THR HA . 6769 1 573 . 1 1 47 47 THR HB H 1 4.275 0.02 . 1 . . . . 47 THR HB . 6769 1 574 . 1 1 47 47 THR HG21 H 1 1.347 0.02 . 1 . . . . 47 THR HG2 . 6769 1 575 . 1 1 47 47 THR HG22 H 1 1.347 0.02 . 1 . . . . 47 THR HG2 . 6769 1 576 . 1 1 47 47 THR HG23 H 1 1.347 0.02 . 1 . . . . 47 THR HG2 . 6769 1 577 . 1 1 47 47 THR C C 13 176.360 0.4 . 1 . . . . 47 THR C . 6769 1 578 . 1 1 47 47 THR CA C 13 66.231 0.4 . 1 . . . . 47 THR CA . 6769 1 579 . 1 1 47 47 THR CB C 13 69.150 0.4 . 1 . . . . 47 THR CB . 6769 1 580 . 1 1 47 47 THR CG2 C 13 22.000 0.4 . 1 . . . . 47 THR CG2 . 6769 1 581 . 1 1 47 47 THR N N 15 115.418 0.4 . 1 . . . . 47 THR N . 6769 1 582 . 1 1 48 48 ALA H H 1 7.796 0.02 . 1 . . . . 48 ALA H . 6769 1 583 . 1 1 48 48 ALA HA H 1 4.297 0.02 . 1 . . . . 48 ALA HA . 6769 1 584 . 1 1 48 48 ALA HB1 H 1 1.547 0.02 . 1 . . . . 48 ALA HB . 6769 1 585 . 1 1 48 48 ALA HB2 H 1 1.547 0.02 . 1 . . . . 48 ALA HB . 6769 1 586 . 1 1 48 48 ALA HB3 H 1 1.547 0.02 . 1 . . . . 48 ALA HB . 6769 1 587 . 1 1 48 48 ALA C C 13 181.450 0.4 . 1 . . . . 48 ALA C . 6769 1 588 . 1 1 48 48 ALA CA C 13 55.254 0.4 . 1 . . . . 48 ALA CA . 6769 1 589 . 1 1 48 48 ALA CB C 13 19.347 0.4 . 1 . . . . 48 ALA CB . 6769 1 590 . 1 1 48 48 ALA N N 15 123.314 0.4 . 1 . . . . 48 ALA N . 6769 1 591 . 1 1 49 49 LEU H H 1 8.800 0.02 . 1 . . . . 49 LEU H . 6769 1 592 . 1 1 49 49 LEU HA H 1 4.225 0.02 . 1 . . . . 49 LEU HA . 6769 1 593 . 1 1 49 49 LEU HB2 H 1 1.605 0.02 . 1 . . . . 49 LEU HB2 . 6769 1 594 . 1 1 49 49 LEU HB3 H 1 1.605 0.02 . 1 . . . . 49 LEU HB3 . 6769 1 595 . 1 1 49 49 LEU HG H 1 2.329 0.02 . 1 . . . . 49 LEU HG . 6769 1 596 . 1 1 49 49 LEU HD11 H 1 0.990 0.02 . 1 . . . . 49 LEU HD1 . 6769 1 597 . 1 1 49 49 LEU HD12 H 1 0.990 0.02 . 1 . . . . 49 LEU HD1 . 6769 1 598 . 1 1 49 49 LEU HD13 H 1 0.990 0.02 . 1 . . . . 49 LEU HD1 . 6769 1 599 . 1 1 49 49 LEU HD21 H 1 1.117 0.02 . 1 . . . . 49 LEU HD2 . 6769 1 600 . 1 1 49 49 LEU HD22 H 1 1.117 0.02 . 1 . . . . 49 LEU HD2 . 6769 1 601 . 1 1 49 49 LEU HD23 H 1 1.117 0.02 . 1 . . . . 49 LEU HD2 . 6769 1 602 . 1 1 49 49 LEU C C 13 178.190 0.4 . 1 . . . . 49 LEU C . 6769 1 603 . 1 1 49 49 LEU CA C 13 58.486 0.4 . 1 . . . . 49 LEU CA . 6769 1 604 . 1 1 49 49 LEU CB C 13 42.394 0.4 . 1 . . . . 49 LEU CB . 6769 1 605 . 1 1 49 49 LEU CG C 13 26.324 0.4 . 1 . . . . 49 LEU CG . 6769 1 606 . 1 1 49 49 LEU CD1 C 13 26.975 0.4 . 1 . . . . 49 LEU CD1 . 6769 1 607 . 1 1 49 49 LEU CD2 C 13 24.386 0.4 . 1 . . . . 49 LEU CD2 . 6769 1 608 . 1 1 49 49 LEU N N 15 120.530 0.4 . 1 . . . . 49 LEU N . 6769 1 609 . 1 1 50 50 GLU H H 1 8.766 0.02 . 1 . . . . 50 GLU H . 6769 1 610 . 1 1 50 50 GLU HA H 1 3.491 0.02 . 1 . . . . 50 GLU HA . 6769 1 611 . 1 1 50 50 GLU HB2 H 1 2.216 0.02 . 1 . . . . 50 GLU HB2 . 6769 1 612 . 1 1 50 50 GLU HB3 H 1 2.218 0.02 . 1 . . . . 50 GLU HB3 . 6769 1 613 . 1 1 50 50 GLU HG2 H 1 2.880 0.02 . 1 . . . . 50 GLU HG2 . 6769 1 614 . 1 1 50 50 GLU HG3 H 1 2.890 0.02 . 1 . . . . 50 GLU HG3 . 6769 1 615 . 1 1 50 50 GLU C C 13 180.290 0.4 . 1 . . . . 50 GLU C . 6769 1 616 . 1 1 50 50 GLU CA C 13 59.769 0.4 . 1 . . . . 50 GLU CA . 6769 1 617 . 1 1 50 50 GLU CB C 13 31.174 0.4 . 1 . . . . 50 GLU CB . 6769 1 618 . 1 1 50 50 GLU CG C 13 38.280 0.4 . 1 . . . . 50 GLU CG . 6769 1 619 . 1 1 50 50 GLU N N 15 119.031 0.4 . 1 . . . . 50 GLU N . 6769 1 620 . 1 1 51 51 GLU H H 1 7.949 0.02 . 1 . . . . 51 GLU H . 6769 1 621 . 1 1 51 51 GLU HA H 1 4.056 0.02 . 1 . . . . 51 GLU HA . 6769 1 622 . 1 1 51 51 GLU HB2 H 1 2.050 0.02 . 1 . . . . 51 GLU HB2 . 6769 1 623 . 1 1 51 51 GLU HB3 H 1 2.140 0.02 . 1 . . . . 51 GLU HB3 . 6769 1 624 . 1 1 51 51 GLU HG2 H 1 2.263 0.02 . 1 . . . . 51 GLU HG2 . 6769 1 625 . 1 1 51 51 GLU HG3 H 1 2.494 0.02 . 1 . . . . 51 GLU HG3 . 6769 1 626 . 1 1 51 51 GLU C C 13 178.310 0.4 . 1 . . . . 51 GLU C . 6769 1 627 . 1 1 51 51 GLU CA C 13 58.421 0.4 . 1 . . . . 51 GLU CA . 6769 1 628 . 1 1 51 51 GLU CB C 13 29.940 0.4 . 1 . . . . 51 GLU CB . 6769 1 629 . 1 1 51 51 GLU CG C 13 36.630 0.4 . 1 . . . . 51 GLU CG . 6769 1 630 . 1 1 51 51 GLU N N 15 116.169 0.4 . 1 . . . . 51 GLU N . 6769 1 631 . 1 1 52 52 TYR H H 1 8.072 0.02 . 1 . . . . 52 TYR H . 6769 1 632 . 1 1 52 52 TYR HA H 1 3.885 0.02 . 1 . . . . 52 TYR HA . 6769 1 633 . 1 1 52 52 TYR HB2 H 1 2.425 0.02 . 1 . . . . 52 TYR HB2 . 6769 1 634 . 1 1 52 52 TYR HB3 H 1 2.977 0.02 . 1 . . . . 52 TYR HB3 . 6769 1 635 . 1 1 52 52 TYR HD1 H 1 5.726 0.02 . 1 . . . . 52 TYR HD1 . 6769 1 636 . 1 1 52 52 TYR HD2 H 1 5.726 0.02 . 1 . . . . 52 TYR HD2 . 6769 1 637 . 1 1 52 52 TYR HE1 H 1 6.414 0.02 . 1 . . . . 52 TYR HE1 . 6769 1 638 . 1 1 52 52 TYR HE2 H 1 6.414 0.02 . 1 . . . . 52 TYR HE2 . 6769 1 639 . 1 1 52 52 TYR C C 13 177.340 0.4 . 1 . . . . 52 TYR C . 6769 1 640 . 1 1 52 52 TYR CA C 13 61.605 0.4 . 1 . . . . 52 TYR CA . 6769 1 641 . 1 1 52 52 TYR CB C 13 39.542 0.4 . 1 . . . . 52 TYR CB . 6769 1 642 . 1 1 52 52 TYR CD1 C 13 133.021 0.4 . 1 . . . . 52 TYR CD1 . 6769 1 643 . 1 1 52 52 TYR CD2 C 13 133.021 0.4 . 1 . . . . 52 TYR CD2 . 6769 1 644 . 1 1 52 52 TYR CE1 C 13 117.787 0.4 . 1 . . . . 52 TYR CE1 . 6769 1 645 . 1 1 52 52 TYR CE2 C 13 117.787 0.4 . 1 . . . . 52 TYR CE2 . 6769 1 646 . 1 1 52 52 TYR N N 15 119.326 0.4 . 1 . . . . 52 TYR N . 6769 1 647 . 1 1 53 53 PHE H H 1 8.240 0.02 . 1 . . . . 53 PHE H . 6769 1 648 . 1 1 53 53 PHE HA H 1 4.190 0.02 . 1 . . . . 53 PHE HA . 6769 1 649 . 1 1 53 53 PHE HB2 H 1 2.027 0.02 . 1 . . . . 53 PHE HB2 . 6769 1 650 . 1 1 53 53 PHE HB3 H 1 2.931 0.02 . 1 . . . . 53 PHE HB3 . 6769 1 651 . 1 1 53 53 PHE HD1 H 1 6.908 0.02 . 1 . . . . 53 PHE HD1 . 6769 1 652 . 1 1 53 53 PHE HD2 H 1 7.360 0.02 . 1 . . . . 53 PHE HD2 . 6769 1 653 . 1 1 53 53 PHE HE1 H 1 6.890 0.02 . 1 . . . . 53 PHE HE1 . 6769 1 654 . 1 1 53 53 PHE HE2 H 1 7.175 0.02 . 1 . . . . 53 PHE HE2 . 6769 1 655 . 1 1 53 53 PHE C C 13 174.510 0.4 . 1 . . . . 53 PHE C . 6769 1 656 . 1 1 53 53 PHE CA C 13 59.315 0.4 . 1 . . . . 53 PHE CA . 6769 1 657 . 1 1 53 53 PHE CB C 13 39.812 0.4 . 1 . . . . 53 PHE CB . 6769 1 658 . 1 1 53 53 PHE CD1 C 13 132.434 0.4 . 1 . . . . 53 PHE CD1 . 6769 1 659 . 1 1 53 53 PHE CD2 C 13 132.434 0.4 . 1 . . . . 53 PHE CD2 . 6769 1 660 . 1 1 53 53 PHE CE1 C 13 131.458 0.4 . 1 . . . . 53 PHE CE1 . 6769 1 661 . 1 1 53 53 PHE CE2 C 13 131.458 0.4 . 1 . . . . 53 PHE CE2 . 6769 1 662 . 1 1 53 53 PHE N N 15 113.024 0.4 . 1 . . . . 53 PHE N . 6769 1 663 . 1 1 54 54 ASP H H 1 7.593 0.02 . 1 . . . . 54 ASP H . 6769 1 664 . 1 1 54 54 ASP HA H 1 4.380 0.02 . 1 . . . . 54 ASP HA . 6769 1 665 . 1 1 54 54 ASP HB2 H 1 2.345 0.02 . 1 . . . . 54 ASP HB2 . 6769 1 666 . 1 1 54 54 ASP HB3 H 1 3.215 0.02 . 1 . . . . 54 ASP HB3 . 6769 1 667 . 1 1 54 54 ASP C C 13 174.100 0.4 . 1 . . . . 54 ASP C . 6769 1 668 . 1 1 54 54 ASP CA C 13 54.810 0.4 . 1 . . . . 54 ASP CA . 6769 1 669 . 1 1 54 54 ASP CB C 13 39.105 0.4 . 1 . . . . 54 ASP CB . 6769 1 670 . 1 1 54 54 ASP N N 15 118.952 0.4 . 1 . . . . 54 ASP N . 6769 1 671 . 1 1 55 55 PHE H H 1 7.720 0.02 . 1 . . . . 55 PHE H . 6769 1 672 . 1 1 55 55 PHE HA H 1 5.075 0.02 . 1 . . . . 55 PHE HA . 6769 1 673 . 1 1 55 55 PHE HB2 H 1 3.014 0.02 . 1 . . . . 55 PHE HB2 . 6769 1 674 . 1 1 55 55 PHE HB3 H 1 3.348 0.02 . 1 . . . . 55 PHE HB3 . 6769 1 675 . 1 1 55 55 PHE HD1 H 1 6.910 0.02 . 1 . . . . 55 PHE HD1 . 6769 1 676 . 1 1 55 55 PHE HD2 H 1 6.910 0.02 . 1 . . . . 55 PHE HD2 . 6769 1 677 . 1 1 55 55 PHE C C 13 174.380 0.4 . 1 . . . . 55 PHE C . 6769 1 678 . 1 1 55 55 PHE CA C 13 54.505 0.4 . 1 . . . . 55 PHE CA . 6769 1 679 . 1 1 55 55 PHE CB C 13 40.696 0.4 . 1 . . . . 55 PHE CB . 6769 1 680 . 1 1 55 55 PHE CD1 C 13 132.240 0.4 . 1 . . . . 55 PHE CD1 . 6769 1 681 . 1 1 55 55 PHE CD2 C 13 132.240 0.4 . 1 . . . . 55 PHE CD2 . 6769 1 682 . 1 1 55 55 PHE N N 15 113.101 0.4 . 1 . . . . 55 PHE N . 6769 1 683 . 1 1 56 56 SER H H 1 8.722 0.02 . 1 . . . . 56 SER H . 6769 1 684 . 1 1 56 56 SER HA H 1 5.145 0.02 . 1 . . . . 56 SER HA . 6769 1 685 . 1 1 56 56 SER HB2 H 1 3.693 0.02 . 1 . . . . 56 SER HB2 . 6769 1 686 . 1 1 56 56 SER HB3 H 1 3.783 0.02 . 1 . . . . 56 SER HB3 . 6769 1 687 . 1 1 56 56 SER C C 13 174.120 0.4 . 1 . . . . 56 SER C . 6769 1 688 . 1 1 56 56 SER CA C 13 56.657 0.4 . 1 . . . . 56 SER CA . 6769 1 689 . 1 1 56 56 SER CB C 13 64.989 0.4 . 1 . . . . 56 SER CB . 6769 1 690 . 1 1 56 56 SER N N 15 113.596 0.4 . 1 . . . . 56 SER N . 6769 1 691 . 1 1 57 57 VAL H H 1 10.216 0.02 . 1 . . . . 57 VAL H . 6769 1 692 . 1 1 57 57 VAL HA H 1 4.243 0.02 . 1 . . . . 57 VAL HA . 6769 1 693 . 1 1 57 57 VAL HB H 1 2.168 0.02 . 1 . . . . 57 VAL HB . 6769 1 694 . 1 1 57 57 VAL HG11 H 1 1.109 0.02 . 1 . . . . 57 VAL HG1 . 6769 1 695 . 1 1 57 57 VAL HG12 H 1 1.109 0.02 . 1 . . . . 57 VAL HG1 . 6769 1 696 . 1 1 57 57 VAL HG13 H 1 1.109 0.02 . 1 . . . . 57 VAL HG1 . 6769 1 697 . 1 1 57 57 VAL HG21 H 1 1.129 0.02 . 1 . . . . 57 VAL HG2 . 6769 1 698 . 1 1 57 57 VAL HG22 H 1 1.129 0.02 . 1 . . . . 57 VAL HG2 . 6769 1 699 . 1 1 57 57 VAL HG23 H 1 1.129 0.02 . 1 . . . . 57 VAL HG2 . 6769 1 700 . 1 1 57 57 VAL C C 13 175.640 0.4 . 1 . . . . 57 VAL C . 6769 1 701 . 1 1 57 57 VAL CA C 13 61.737 0.4 . 1 . . . . 57 VAL CA . 6769 1 702 . 1 1 57 57 VAL CB C 13 32.882 0.4 . 1 . . . . 57 VAL CB . 6769 1 703 . 1 1 57 57 VAL CG1 C 13 22.719 0.4 . 1 . . . . 57 VAL CG1 . 6769 1 704 . 1 1 57 57 VAL CG2 C 13 23.106 0.4 . 1 . . . . 57 VAL CG2 . 6769 1 705 . 1 1 57 57 VAL N N 15 127.579 0.4 . 1 . . . . 57 VAL N . 6769 1 706 . 1 1 58 58 ASP H H 1 9.393 0.02 . 1 . . . . 58 ASP H . 6769 1 707 . 1 1 58 58 ASP HA H 1 4.846 0.02 . 1 . . . . 58 ASP HA . 6769 1 708 . 1 1 58 58 ASP HB2 H 1 2.609 0.02 . 1 . . . . 58 ASP HB2 . 6769 1 709 . 1 1 58 58 ASP HB3 H 1 2.805 0.02 . 1 . . . . 58 ASP HB3 . 6769 1 710 . 1 1 58 58 ASP C C 13 177.210 0.4 . 1 . . . . 58 ASP C . 6769 1 711 . 1 1 58 58 ASP CA C 13 53.545 0.4 . 1 . . . . 58 ASP CA . 6769 1 712 . 1 1 58 58 ASP CB C 13 42.685 0.4 . 1 . . . . 58 ASP CB . 6769 1 713 . 1 1 58 58 ASP N N 15 129.386 0.4 . 1 . . . . 58 ASP N . 6769 1 714 . 1 1 59 59 ASP H H 1 8.693 0.02 . 1 . . . . 59 ASP H . 6769 1 715 . 1 1 59 59 ASP HA H 1 4.286 0.02 . 1 . . . . 59 ASP HA . 6769 1 716 . 1 1 59 59 ASP HB2 H 1 2.606 0.02 . 1 . . . . 59 ASP HB2 . 6769 1 717 . 1 1 59 59 ASP HB3 H 1 2.670 0.02 . 1 . . . . 59 ASP HB3 . 6769 1 718 . 1 1 59 59 ASP C C 13 177.260 0.4 . 1 . . . . 59 ASP C . 6769 1 719 . 1 1 59 59 ASP CA C 13 57.360 0.4 . 1 . . . . 59 ASP CA . 6769 1 720 . 1 1 59 59 ASP CB C 13 40.650 0.4 . 1 . . . . 59 ASP CB . 6769 1 721 . 1 1 59 59 ASP N N 15 121.949 0.4 . 1 . . . . 59 ASP N . 6769 1 722 . 1 1 60 60 ASP H H 1 8.463 0.02 . 1 . . . . 60 ASP H . 6769 1 723 . 1 1 60 60 ASP HA H 1 4.562 0.02 . 1 . . . . 60 ASP HA . 6769 1 724 . 1 1 60 60 ASP HB2 H 1 2.690 0.02 . 1 . . . . 60 ASP HB2 . 6769 1 725 . 1 1 60 60 ASP HB3 H 1 2.735 0.02 . 1 . . . . 60 ASP HB3 . 6769 1 726 . 1 1 60 60 ASP C C 13 176.920 0.4 . 1 . . . . 60 ASP C . 6769 1 727 . 1 1 60 60 ASP CA C 13 54.920 0.4 . 1 . . . . 60 ASP CA . 6769 1 728 . 1 1 60 60 ASP CB C 13 40.546 0.4 . 1 . . . . 60 ASP CB . 6769 1 729 . 1 1 60 60 ASP N N 15 115.110 0.4 . 1 . . . . 60 ASP N . 6769 1 730 . 1 1 61 61 GLU H H 1 7.903 0.02 . 1 . . . . 61 GLU H . 6769 1 731 . 1 1 61 61 GLU HA H 1 4.315 0.02 . 1 . . . . 61 GLU HA . 6769 1 732 . 1 1 61 61 GLU HB2 H 1 2.170 0.02 . 1 . . . . 61 GLU HB2 . 6769 1 733 . 1 1 61 61 GLU HB3 H 1 2.390 0.02 . 1 . . . . 61 GLU HB3 . 6769 1 734 . 1 1 61 61 GLU HG2 H 1 2.385 0.02 . 1 . . . . 61 GLU HG2 . 6769 1 735 . 1 1 61 61 GLU HG3 H 1 2.519 0.02 . 1 . . . . 61 GLU HG3 . 6769 1 736 . 1 1 61 61 GLU C C 13 175.850 0.4 . 1 . . . . 61 GLU C . 6769 1 737 . 1 1 61 61 GLU CA C 13 59.950 0.4 . 1 . . . . 61 GLU CA . 6769 1 738 . 1 1 61 61 GLU CB C 13 37.440 0.4 . 1 . . . . 61 GLU CB . 6769 1 739 . 1 1 61 61 GLU CG C 13 31.506 0.4 . 1 . . . . 61 GLU CG . 6769 1 740 . 1 1 61 61 GLU N N 15 117.845 0.4 . 1 . . . . 61 GLU N . 6769 1 741 . 1 1 62 62 ILE H H 1 7.398 0.02 . 1 . . . . 62 ILE H . 6769 1 742 . 1 1 62 62 ILE HA H 1 4.161 0.02 . 1 . . . . 62 ILE HA . 6769 1 743 . 1 1 62 62 ILE HB H 1 1.757 0.02 . 1 . . . . 62 ILE HB . 6769 1 744 . 1 1 62 62 ILE HG12 H 1 0.989 0.02 . 1 . . . . 62 ILE HG12 . 6769 1 745 . 1 1 62 62 ILE HG13 H 1 1.397 0.02 . 1 . . . . 62 ILE HG13 . 6769 1 746 . 1 1 62 62 ILE HG21 H 1 0.671 0.02 . 1 . . . . 62 ILE HG2 . 6769 1 747 . 1 1 62 62 ILE HG22 H 1 0.671 0.02 . 1 . . . . 62 ILE HG2 . 6769 1 748 . 1 1 62 62 ILE HG23 H 1 0.671 0.02 . 1 . . . . 62 ILE HG2 . 6769 1 749 . 1 1 62 62 ILE HD11 H 1 0.603 0.02 . 1 . . . . 62 ILE HD1 . 6769 1 750 . 1 1 62 62 ILE HD12 H 1 0.603 0.02 . 1 . . . . 62 ILE HD1 . 6769 1 751 . 1 1 62 62 ILE HD13 H 1 0.603 0.02 . 1 . . . . 62 ILE HD1 . 6769 1 752 . 1 1 62 62 ILE C C 13 174.080 0.4 . 1 . . . . 62 ILE C . 6769 1 753 . 1 1 62 62 ILE CA C 13 59.695 0.4 . 1 . . . . 62 ILE CA . 6769 1 754 . 1 1 62 62 ILE CB C 13 39.334 0.4 . 1 . . . . 62 ILE CB . 6769 1 755 . 1 1 62 62 ILE CG1 C 13 26.975 0.4 . 1 . . . . 62 ILE CG1 . 6769 1 756 . 1 1 62 62 ILE CG2 C 13 17.975 0.4 . 1 . . . . 62 ILE CG2 . 6769 1 757 . 1 1 62 62 ILE CD1 C 13 13.081 0.4 . 1 . . . . 62 ILE CD1 . 6769 1 758 . 1 1 62 62 ILE N N 15 117.037 0.4 . 1 . . . . 62 ILE N . 6769 1 759 . 1 1 63 63 SER H H 1 8.382 0.02 . 1 . . . . 63 SER H . 6769 1 760 . 1 1 63 63 SER HA H 1 4.773 0.02 . 1 . . . . 63 SER HA . 6769 1 761 . 1 1 63 63 SER HB2 H 1 3.852 0.02 . 1 . . . . 63 SER HB2 . 6769 1 762 . 1 1 63 63 SER HB3 H 1 4.185 0.02 . 1 . . . . 63 SER HB3 . 6769 1 763 . 1 1 63 63 SER C C 13 174.820 0.4 . 1 . . . . 63 SER C . 6769 1 764 . 1 1 63 63 SER CA C 13 56.739 0.4 . 1 . . . . 63 SER CA . 6769 1 765 . 1 1 63 63 SER CB C 13 67.280 0.4 . 1 . . . . 63 SER CB . 6769 1 766 . 1 1 63 63 SER N N 15 119.338 0.4 . 1 . . . . 63 SER N . 6769 1 767 . 1 1 64 64 ALA HA H 1 4.033 0.02 . 1 . . . . 64 ALA HA . 6769 1 768 . 1 1 64 64 ALA HB1 H 1 1.388 0.02 . 1 . . . . 64 ALA HB . 6769 1 769 . 1 1 64 64 ALA HB2 H 1 1.388 0.02 . 1 . . . . 64 ALA HB . 6769 1 770 . 1 1 64 64 ALA HB3 H 1 1.388 0.02 . 1 . . . . 64 ALA HB . 6769 1 771 . 1 1 64 64 ALA C C 13 180.200 0.4 . 1 . . . . 64 ALA C . 6769 1 772 . 1 1 64 64 ALA CA C 13 55.517 0.4 . 1 . . . . 64 ALA CA . 6769 1 773 . 1 1 64 64 ALA CB C 13 17.970 0.4 . 1 . . . . 64 ALA CB . 6769 1 774 . 1 1 65 65 GLN H H 1 7.988 0.02 . 1 . . . . 65 GLN H . 6769 1 775 . 1 1 65 65 GLN HA H 1 4.065 0.02 . 1 . . . . 65 GLN HA . 6769 1 776 . 1 1 65 65 GLN HB2 H 1 1.994 0.02 . 1 . . . . 65 GLN HB2 . 6769 1 777 . 1 1 65 65 GLN HB3 H 1 2.025 0.02 . 1 . . . . 65 GLN HB3 . 6769 1 778 . 1 1 65 65 GLN HG2 H 1 2.415 0.02 . 1 . . . . 65 GLN HG2 . 6769 1 779 . 1 1 65 65 GLN HG3 H 1 2.415 0.02 . 1 . . . . 65 GLN HG3 . 6769 1 780 . 1 1 65 65 GLN HE21 H 1 6.857 0.02 . 1 . . . . 65 GLN HE21 . 6769 1 781 . 1 1 65 65 GLN HE22 H 1 7.613 0.02 . 1 . . . . 65 GLN HE22 . 6769 1 782 . 1 1 65 65 GLN C C 13 178.540 0.4 . 1 . . . . 65 GLN C . 6769 1 783 . 1 1 65 65 GLN CA C 13 58.725 0.4 . 1 . . . . 65 GLN CA . 6769 1 784 . 1 1 65 65 GLN CB C 13 28.261 0.4 . 1 . . . . 65 GLN CB . 6769 1 785 . 1 1 65 65 GLN CG C 13 34.940 0.4 . 1 . . . . 65 GLN CG . 6769 1 786 . 1 1 65 65 GLN N N 15 115.454 0.4 . 1 . . . . 65 GLN N . 6769 1 787 . 1 1 65 65 GLN NE2 N 15 112.860 0.4 . 1 . . . . 65 GLN NE2 . 6769 1 788 . 1 1 66 66 THR H H 1 7.742 0.02 . 1 . . . . 66 THR H . 6769 1 789 . 1 1 66 66 THR HA H 1 3.630 0.02 . 1 . . . . 66 THR HA . 6769 1 790 . 1 1 66 66 THR HB H 1 3.868 0.02 . 1 . . . . 66 THR HB . 6769 1 791 . 1 1 66 66 THR HG21 H 1 0.495 0.02 . 1 . . . . 66 THR HG2 . 6769 1 792 . 1 1 66 66 THR HG22 H 1 0.495 0.02 . 1 . . . . 66 THR HG2 . 6769 1 793 . 1 1 66 66 THR HG23 H 1 0.495 0.02 . 1 . . . . 66 THR HG2 . 6769 1 794 . 1 1 66 66 THR C C 13 174.760 0.4 . 1 . . . . 66 THR C . 6769 1 795 . 1 1 66 66 THR CA C 13 66.625 0.4 . 1 . . . . 66 THR CA . 6769 1 796 . 1 1 66 66 THR CB C 13 68.775 0.4 . 1 . . . . 66 THR CB . 6769 1 797 . 1 1 66 66 THR CG2 C 13 22.175 0.4 . 1 . . . . 66 THR CG2 . 6769 1 798 . 1 1 66 66 THR N N 15 118.442 0.4 . 1 . . . . 66 THR N . 6769 1 799 . 1 1 67 67 PHE H H 1 7.186 0.02 . 1 . . . . 67 PHE H . 6769 1 800 . 1 1 67 67 PHE HA H 1 4.236 0.02 . 1 . . . . 67 PHE HA . 6769 1 801 . 1 1 67 67 PHE HB2 H 1 2.660 0.02 . 1 . . . . 67 PHE HB2 . 6769 1 802 . 1 1 67 67 PHE HB3 H 1 3.545 0.02 . 1 . . . . 67 PHE HB3 . 6769 1 803 . 1 1 67 67 PHE HD1 H 1 7.094 0.02 . 1 . . . . 67 PHE HD1 . 6769 1 804 . 1 1 67 67 PHE HD2 H 1 7.094 0.02 . 1 . . . . 67 PHE HD2 . 6769 1 805 . 1 1 67 67 PHE HE1 H 1 6.998 0.02 . 1 . . . . 67 PHE HE1 . 6769 1 806 . 1 1 67 67 PHE HE2 H 1 6.998 0.02 . 1 . . . . 67 PHE HE2 . 6769 1 807 . 1 1 67 67 PHE C C 13 173.620 0.4 . 1 . . . . 67 PHE C . 6769 1 808 . 1 1 67 67 PHE CA C 13 57.549 0.4 . 1 . . . . 67 PHE CA . 6769 1 809 . 1 1 67 67 PHE CB C 13 39.786 0.4 . 1 . . . . 67 PHE CB . 6769 1 810 . 1 1 67 67 PHE CD1 C 13 131.262 0.4 . 1 . . . . 67 PHE CD1 . 6769 1 811 . 1 1 67 67 PHE CD2 C 13 131.262 0.4 . 1 . . . . 67 PHE CD2 . 6769 1 812 . 1 1 67 67 PHE CE1 C 13 131.262 0.4 . 1 . . . . 67 PHE CE1 . 6769 1 813 . 1 1 67 67 PHE CE2 C 13 131.262 0.4 . 1 . . . . 67 PHE CE2 . 6769 1 814 . 1 1 67 67 PHE N N 15 114.410 0.4 . 1 . . . . 67 PHE N . 6769 1 815 . 1 1 68 68 GLU H H 1 7.421 0.02 . 1 . . . . 68 GLU H . 6769 1 816 . 1 1 68 68 GLU HA H 1 4.169 0.02 . 1 . . . . 68 GLU HA . 6769 1 817 . 1 1 68 68 GLU HB2 H 1 2.230 0.02 . 1 . . . . 68 GLU HB2 . 6769 1 818 . 1 1 68 68 GLU HB3 H 1 2.292 0.02 . 1 . . . . 68 GLU HB3 . 6769 1 819 . 1 1 68 68 GLU HG2 H 1 2.403 0.02 . 1 . . . . 68 GLU HG2 . 6769 1 820 . 1 1 68 68 GLU HG3 H 1 2.505 0.02 . 1 . . . . 68 GLU HG3 . 6769 1 821 . 1 1 68 68 GLU C C 13 178.570 0.4 . 1 . . . . 68 GLU C . 6769 1 822 . 1 1 68 68 GLU CA C 13 60.631 0.4 . 1 . . . . 68 GLU CA . 6769 1 823 . 1 1 68 68 GLU CB C 13 36.881 0.4 . 1 . . . . 68 GLU CB . 6769 1 824 . 1 1 68 68 GLU CG C 13 30.750 0.4 . 1 . . . . 68 GLU CG . 6769 1 825 . 1 1 68 68 GLU N N 15 121.560 0.4 . 1 . . . . 68 GLU N . 6769 1 826 . 1 1 69 69 THR H H 1 8.528 0.02 . 1 . . . . 69 THR H . 6769 1 827 . 1 1 69 69 THR HA H 1 5.477 0.02 . 1 . . . . 69 THR HA . 6769 1 828 . 1 1 69 69 THR HB H 1 4.570 0.02 . 1 . . . . 69 THR HB . 6769 1 829 . 1 1 69 69 THR HG21 H 1 1.125 0.02 . 1 . . . . 69 THR HG2 . 6769 1 830 . 1 1 69 69 THR HG22 H 1 1.125 0.02 . 1 . . . . 69 THR HG2 . 6769 1 831 . 1 1 69 69 THR HG23 H 1 1.125 0.02 . 1 . . . . 69 THR HG2 . 6769 1 832 . 1 1 69 69 THR C C 13 174.740 0.4 . 1 . . . . 69 THR C . 6769 1 833 . 1 1 69 69 THR CA C 13 58.671 0.4 . 1 . . . . 69 THR CA . 6769 1 834 . 1 1 69 69 THR CB C 13 74.640 0.4 . 1 . . . . 69 THR CB . 6769 1 835 . 1 1 69 69 THR CG2 C 13 22.074 0.4 . 1 . . . . 69 THR CG2 . 6769 1 836 . 1 1 69 69 THR N N 15 105.752 0.4 . 1 . . . . 69 THR N . 6769 1 837 . 1 1 70 70 LEU H H 1 7.978 0.02 . 1 . . . . 70 LEU H . 6769 1 838 . 1 1 70 70 LEU HA H 1 4.136 0.02 . 1 . . . . 70 LEU HA . 6769 1 839 . 1 1 70 70 LEU HD11 H 1 0.618 0.02 . 1 . . . . 70 LEU HD1 . 6769 1 840 . 1 1 70 70 LEU HD12 H 1 0.618 0.02 . 1 . . . . 70 LEU HD1 . 6769 1 841 . 1 1 70 70 LEU HD13 H 1 0.618 0.02 . 1 . . . . 70 LEU HD1 . 6769 1 842 . 1 1 70 70 LEU HD21 H 1 0.912 0.02 . 1 . . . . 70 LEU HD2 . 6769 1 843 . 1 1 70 70 LEU HD22 H 1 0.912 0.02 . 1 . . . . 70 LEU HD2 . 6769 1 844 . 1 1 70 70 LEU HD23 H 1 0.912 0.02 . 1 . . . . 70 LEU HD2 . 6769 1 845 . 1 1 70 70 LEU C C 13 178.150 0.4 . 1 . . . . 70 LEU C . 6769 1 846 . 1 1 70 70 LEU CA C 13 55.339 0.4 . 1 . . . . 70 LEU CA . 6769 1 847 . 1 1 70 70 LEU CD1 C 13 26.211 0.4 . 1 . . . . 70 LEU CD1 . 6769 1 848 . 1 1 70 70 LEU CD2 C 13 24.522 0.4 . 1 . . . . 70 LEU CD2 . 6769 1 849 . 1 1 70 70 LEU N N 15 119.743 0.4 . 1 . . . . 70 LEU N . 6769 1 850 . 1 1 71 71 GLY H H 1 9.017 0.02 . 1 . . . . 71 GLY H . 6769 1 851 . 1 1 71 71 GLY HA2 H 1 3.685 0.02 . 1 . . . . 71 GLY HA2 . 6769 1 852 . 1 1 71 71 GLY HA3 H 1 3.891 0.02 . 1 . . . . 71 GLY HA3 . 6769 1 853 . 1 1 71 71 GLY C C 13 173.310 0.4 . 1 . . . . 71 GLY C . 6769 1 854 . 1 1 71 71 GLY CA C 13 47.250 0.4 . 1 . . . . 71 GLY CA . 6769 1 855 . 1 1 71 71 GLY N N 15 105.973 0.4 . 1 . . . . 71 GLY N . 6769 1 856 . 1 1 72 72 SER H H 1 8.705 0.02 . 1 . . . . 72 SER H . 6769 1 857 . 1 1 72 72 SER HA H 1 4.095 0.02 . 1 . . . . 72 SER HA . 6769 1 858 . 1 1 72 72 SER HB2 H 1 4.088 0.02 . 1 . . . . 72 SER HB2 . 6769 1 859 . 1 1 72 72 SER HB3 H 1 4.091 0.02 . 1 . . . . 72 SER HB3 . 6769 1 860 . 1 1 72 72 SER C C 13 177.630 0.4 . 1 . . . . 72 SER C . 6769 1 861 . 1 1 72 72 SER CA C 13 62.615 0.4 . 1 . . . . 72 SER CA . 6769 1 862 . 1 1 72 72 SER CB C 13 65.376 0.4 . 1 . . . . 72 SER CB . 6769 1 863 . 1 1 72 72 SER N N 15 119.499 0.4 . 1 . . . . 72 SER N . 6769 1 864 . 1 1 73 73 LEU H H 1 7.793 0.02 . 1 . . . . 73 LEU H . 6769 1 865 . 1 1 73 73 LEU HA H 1 4.237 0.02 . 1 . . . . 73 LEU HA . 6769 1 866 . 1 1 73 73 LEU HB2 H 1 1.397 0.02 . 1 . . . . 73 LEU HB2 . 6769 1 867 . 1 1 73 73 LEU HB3 H 1 1.937 0.02 . 1 . . . . 73 LEU HB3 . 6769 1 868 . 1 1 73 73 LEU HD11 H 1 0.305 0.02 . 1 . . . . 73 LEU HD1 . 6769 1 869 . 1 1 73 73 LEU HD12 H 1 0.305 0.02 . 1 . . . . 73 LEU HD1 . 6769 1 870 . 1 1 73 73 LEU HD13 H 1 0.305 0.02 . 1 . . . . 73 LEU HD1 . 6769 1 871 . 1 1 73 73 LEU HD21 H 1 0.587 0.02 . 1 . . . . 73 LEU HD2 . 6769 1 872 . 1 1 73 73 LEU HD22 H 1 0.587 0.02 . 1 . . . . 73 LEU HD2 . 6769 1 873 . 1 1 73 73 LEU HD23 H 1 0.587 0.02 . 1 . . . . 73 LEU HD2 . 6769 1 874 . 1 1 73 73 LEU C C 13 178.250 0.4 . 1 . . . . 73 LEU C . 6769 1 875 . 1 1 73 73 LEU CA C 13 57.711 0.4 . 1 . . . . 73 LEU CA . 6769 1 876 . 1 1 73 73 LEU CB C 13 42.016 0.4 . 1 . . . . 73 LEU CB . 6769 1 877 . 1 1 73 73 LEU CD1 C 13 22.449 0.4 . 1 . . . . 73 LEU CD1 . 6769 1 878 . 1 1 73 73 LEU CD2 C 13 26.296 0.4 . 1 . . . . 73 LEU CD2 . 6769 1 879 . 1 1 73 73 LEU N N 15 128.486 0.4 . 1 . . . . 73 LEU N . 6769 1 880 . 1 1 74 74 ALA H H 1 8.598 0.02 . 1 . . . . 74 ALA H . 6769 1 881 . 1 1 74 74 ALA HA H 1 3.989 0.02 . 1 . . . . 74 ALA HA . 6769 1 882 . 1 1 74 74 ALA HB1 H 1 1.473 0.02 . 1 . . . . 74 ALA HB . 6769 1 883 . 1 1 74 74 ALA HB2 H 1 1.473 0.02 . 1 . . . . 74 ALA HB . 6769 1 884 . 1 1 74 74 ALA HB3 H 1 1.473 0.02 . 1 . . . . 74 ALA HB . 6769 1 885 . 1 1 74 74 ALA C C 13 180.420 0.4 . 1 . . . . 74 ALA C . 6769 1 886 . 1 1 74 74 ALA CA C 13 55.654 0.4 . 1 . . . . 74 ALA CA . 6769 1 887 . 1 1 74 74 ALA CB C 13 17.595 0.4 . 1 . . . . 74 ALA CB . 6769 1 888 . 1 1 74 74 ALA N N 15 121.021 0.4 . 1 . . . . 74 ALA N . 6769 1 889 . 1 1 75 75 LEU H H 1 8.772 0.02 . 1 . . . . 75 LEU H . 6769 1 890 . 1 1 75 75 LEU HA H 1 4.058 0.02 . 1 . . . . 75 LEU HA . 6769 1 891 . 1 1 75 75 LEU HB2 H 1 1.554 0.02 . 1 . . . . 75 LEU HB2 . 6769 1 892 . 1 1 75 75 LEU HB3 H 1 1.767 0.02 . 1 . . . . 75 LEU HB3 . 6769 1 893 . 1 1 75 75 LEU HG H 1 1.595 0.02 . 1 . . . . 75 LEU HG . 6769 1 894 . 1 1 75 75 LEU HD11 H 1 0.733 0.02 . 1 . . . . 75 LEU HD1 . 6769 1 895 . 1 1 75 75 LEU HD12 H 1 0.733 0.02 . 1 . . . . 75 LEU HD1 . 6769 1 896 . 1 1 75 75 LEU HD13 H 1 0.733 0.02 . 1 . . . . 75 LEU HD1 . 6769 1 897 . 1 1 75 75 LEU HD21 H 1 0.772 0.02 . 1 . . . . 75 LEU HD2 . 6769 1 898 . 1 1 75 75 LEU HD22 H 1 0.772 0.02 . 1 . . . . 75 LEU HD2 . 6769 1 899 . 1 1 75 75 LEU HD23 H 1 0.772 0.02 . 1 . . . . 75 LEU HD2 . 6769 1 900 . 1 1 75 75 LEU C C 13 178.750 0.4 . 1 . . . . 75 LEU C . 6769 1 901 . 1 1 75 75 LEU CA C 13 57.795 0.4 . 1 . . . . 75 LEU CA . 6769 1 902 . 1 1 75 75 LEU CB C 13 41.894 0.4 . 1 . . . . 75 LEU CB . 6769 1 903 . 1 1 75 75 LEU CG C 13 26.905 0.4 . 1 . . . . 75 LEU CG . 6769 1 904 . 1 1 75 75 LEU CD1 C 13 24.774 0.4 . 1 . . . . 75 LEU CD1 . 6769 1 905 . 1 1 75 75 LEU CD2 C 13 23.904 0.4 . 1 . . . . 75 LEU CD2 . 6769 1 906 . 1 1 75 75 LEU N N 15 121.313 0.4 . 1 . . . . 75 LEU N . 6769 1 907 . 1 1 76 76 PHE H H 1 7.884 0.02 . 1 . . . . 76 PHE H . 6769 1 908 . 1 1 76 76 PHE HA H 1 4.271 0.02 . 1 . . . . 76 PHE HA . 6769 1 909 . 1 1 76 76 PHE HB2 H 1 3.264 0.02 . 1 . . . . 76 PHE HB2 . 6769 1 910 . 1 1 76 76 PHE HB3 H 1 3.408 0.02 . 1 . . . . 76 PHE HB3 . 6769 1 911 . 1 1 76 76 PHE HD1 H 1 7.107 0.02 . 1 . . . . 76 PHE HD1 . 6769 1 912 . 1 1 76 76 PHE HD2 H 1 7.107 0.02 . 1 . . . . 76 PHE HD2 . 6769 1 913 . 1 1 76 76 PHE HE1 H 1 6.998 0.02 . 1 . . . . 76 PHE HE1 . 6769 1 914 . 1 1 76 76 PHE HE2 H 1 6.998 0.02 . 1 . . . . 76 PHE HE2 . 6769 1 915 . 1 1 76 76 PHE C C 13 176.830 0.4 . 1 . . . . 76 PHE C . 6769 1 916 . 1 1 76 76 PHE CA C 13 60.951 0.4 . 1 . . . . 76 PHE CA . 6769 1 917 . 1 1 76 76 PHE CB C 13 38.606 0.4 . 1 . . . . 76 PHE CB . 6769 1 918 . 1 1 76 76 PHE CD1 C 13 132.148 0.4 . 1 . . . . 76 PHE CD1 . 6769 1 919 . 1 1 76 76 PHE CD2 C 13 132.148 0.4 . 1 . . . . 76 PHE CD2 . 6769 1 920 . 1 1 76 76 PHE N N 15 122.018 0.4 . 1 . . . . 76 PHE N . 6769 1 921 . 1 1 77 77 VAL H H 1 7.596 0.02 . 1 . . . . 77 VAL H . 6769 1 922 . 1 1 77 77 VAL HA H 1 2.772 0.02 . 1 . . . . 77 VAL HA . 6769 1 923 . 1 1 77 77 VAL HB H 1 1.930 0.02 . 1 . . . . 77 VAL HB . 6769 1 924 . 1 1 77 77 VAL HG11 H 1 -0.278 0.02 . 1 . . . . 77 VAL HG1 . 6769 1 925 . 1 1 77 77 VAL HG12 H 1 -0.278 0.02 . 1 . . . . 77 VAL HG1 . 6769 1 926 . 1 1 77 77 VAL HG13 H 1 -0.278 0.02 . 1 . . . . 77 VAL HG1 . 6769 1 927 . 1 1 77 77 VAL HG21 H 1 0.956 0.02 . 1 . . . . 77 VAL HG2 . 6769 1 928 . 1 1 77 77 VAL HG22 H 1 0.956 0.02 . 1 . . . . 77 VAL HG2 . 6769 1 929 . 1 1 77 77 VAL HG23 H 1 0.956 0.02 . 1 . . . . 77 VAL HG2 . 6769 1 930 . 1 1 77 77 VAL C C 13 176.410 0.4 . 1 . . . . 77 VAL C . 6769 1 931 . 1 1 77 77 VAL CA C 13 67.025 0.4 . 1 . . . . 77 VAL CA . 6769 1 932 . 1 1 77 77 VAL CB C 13 31.148 0.4 . 1 . . . . 77 VAL CB . 6769 1 933 . 1 1 77 77 VAL CG1 C 13 19.928 0.4 . 1 . . . . 77 VAL CG1 . 6769 1 934 . 1 1 77 77 VAL CG2 C 13 23.830 0.4 . 1 . . . . 77 VAL CG2 . 6769 1 935 . 1 1 77 77 VAL N N 15 118.986 0.4 . 1 . . . . 77 VAL N . 6769 1 936 . 1 1 78 78 GLU H H 1 7.741 0.02 . 1 . . . . 78 GLU H . 6769 1 937 . 1 1 78 78 GLU HA H 1 3.777 0.02 . 1 . . . . 78 GLU HA . 6769 1 938 . 1 1 78 78 GLU HB2 H 1 2.207 0.02 . 1 . . . . 78 GLU HB2 . 6769 1 939 . 1 1 78 78 GLU HB3 H 1 2.207 0.02 . 1 . . . . 78 GLU HB3 . 6769 1 940 . 1 1 78 78 GLU HG2 H 1 2.299 0.02 . 1 . . . . 78 GLU HG2 . 6769 1 941 . 1 1 78 78 GLU HG3 H 1 2.299 0.02 . 1 . . . . 78 GLU HG3 . 6769 1 942 . 1 1 78 78 GLU C C 13 178.240 0.4 . 1 . . . . 78 GLU C . 6769 1 943 . 1 1 78 78 GLU CA C 13 59.725 0.4 . 1 . . . . 78 GLU CA . 6769 1 944 . 1 1 78 78 GLU CB C 13 35.597 0.4 . 1 . . . . 78 GLU CB . 6769 1 945 . 1 1 78 78 GLU CG C 13 29.770 0.4 . 1 . . . . 78 GLU CG . 6769 1 946 . 1 1 78 78 GLU N N 15 118.036 0.4 . 1 . . . . 78 GLU N . 6769 1 947 . 1 1 79 79 HIS H H 1 8.347 0.02 . 1 . . . . 79 HIS H . 6769 1 948 . 1 1 79 79 HIS HA H 1 4.206 0.02 . 1 . . . . 79 HIS HA . 6769 1 949 . 1 1 79 79 HIS HB2 H 1 3.095 0.02 . 1 . . . . 79 HIS HB2 . 6769 1 950 . 1 1 79 79 HIS HB3 H 1 3.099 0.02 . 1 . . . . 79 HIS HB3 . 6769 1 951 . 1 1 79 79 HIS HD2 H 1 6.691 0.02 . 1 . . . . 79 HIS HD2 . 6769 1 952 . 1 1 79 79 HIS HE1 H 1 7.616 0.02 . 1 . . . . 79 HIS HE1 . 6769 1 953 . 1 1 79 79 HIS C C 13 178.240 0.4 . 1 . . . . 79 HIS C . 6769 1 954 . 1 1 79 79 HIS CA C 13 59.315 0.4 . 1 . . . . 79 HIS CA . 6769 1 955 . 1 1 79 79 HIS CB C 13 29.926 0.4 . 1 . . . . 79 HIS CB . 6769 1 956 . 1 1 79 79 HIS CD2 C 13 119.545 0.4 . 1 . . . . 79 HIS CD2 . 6769 1 957 . 1 1 79 79 HIS CE1 C 13 138.294 0.4 . 1 . . . . 79 HIS CE1 . 6769 1 958 . 1 1 79 79 HIS N N 15 119.701 0.4 . 1 . . . . 79 HIS N . 6769 1 959 . 1 1 80 80 LYS H H 1 7.906 0.02 . 1 . . . . 80 LYS H . 6769 1 960 . 1 1 80 80 LYS HA H 1 3.567 0.02 . 1 . . . . 80 LYS HA . 6769 1 961 . 1 1 80 80 LYS HB2 H 1 0.692 0.02 . 1 . . . . 80 LYS HB2 . 6769 1 962 . 1 1 80 80 LYS HB3 H 1 0.846 0.02 . 1 . . . . 80 LYS HB3 . 6769 1 963 . 1 1 80 80 LYS HG2 H 1 0.027 0.02 . 1 . . . . 80 LYS HG2 . 6769 1 964 . 1 1 80 80 LYS HG3 H 1 0.188 0.02 . 1 . . . . 80 LYS HG3 . 6769 1 965 . 1 1 80 80 LYS HD2 H 1 1.068 0.02 . 1 . . . . 80 LYS HD2 . 6769 1 966 . 1 1 80 80 LYS HD3 H 1 1.185 0.02 . 1 . . . . 80 LYS HD3 . 6769 1 967 . 1 1 80 80 LYS HE2 H 1 2.246 0.02 . 1 . . . . 80 LYS HE2 . 6769 1 968 . 1 1 80 80 LYS HE3 H 1 2.444 0.02 . 1 . . . . 80 LYS HE3 . 6769 1 969 . 1 1 80 80 LYS C C 13 179.210 0.4 . 1 . . . . 80 LYS C . 6769 1 970 . 1 1 80 80 LYS CA C 13 57.140 0.4 . 1 . . . . 80 LYS CA . 6769 1 971 . 1 1 80 80 LYS CB C 13 30.256 0.4 . 1 . . . . 80 LYS CB . 6769 1 972 . 1 1 80 80 LYS CG C 13 23.145 0.4 . 1 . . . . 80 LYS CG . 6769 1 973 . 1 1 80 80 LYS CD C 13 26.235 0.4 . 1 . . . . 80 LYS CD . 6769 1 974 . 1 1 80 80 LYS CE C 13 41.694 0.4 . 1 . . . . 80 LYS CE . 6769 1 975 . 1 1 80 80 LYS N N 15 120.453 0.4 . 1 . . . . 80 LYS N . 6769 1 976 . 1 1 81 81 LEU H H 1 7.782 0.02 . 1 . . . . 81 LEU H . 6769 1 977 . 1 1 81 81 LEU HA H 1 4.156 0.02 . 1 . . . . 81 LEU HA . 6769 1 978 . 1 1 81 81 LEU HB2 H 1 1.485 0.02 . 1 . . . . 81 LEU HB2 . 6769 1 979 . 1 1 81 81 LEU HB3 H 1 1.669 0.02 . 1 . . . . 81 LEU HB3 . 6769 1 980 . 1 1 81 81 LEU HG H 1 0.988 0.02 . 1 . . . . 81 LEU HG . 6769 1 981 . 1 1 81 81 LEU HD11 H 1 0.486 0.02 . 1 . . . . 81 LEU HD1 . 6769 1 982 . 1 1 81 81 LEU HD12 H 1 0.486 0.02 . 1 . . . . 81 LEU HD1 . 6769 1 983 . 1 1 81 81 LEU HD13 H 1 0.486 0.02 . 1 . . . . 81 LEU HD1 . 6769 1 984 . 1 1 81 81 LEU HD21 H 1 0.997 0.02 . 1 . . . . 81 LEU HD2 . 6769 1 985 . 1 1 81 81 LEU HD22 H 1 0.997 0.02 . 1 . . . . 81 LEU HD2 . 6769 1 986 . 1 1 81 81 LEU HD23 H 1 0.997 0.02 . 1 . . . . 81 LEU HD2 . 6769 1 987 . 1 1 81 81 LEU C C 13 178.550 0.4 . 1 . . . . 81 LEU C . 6769 1 988 . 1 1 81 81 LEU CA C 13 56.381 0.4 . 1 . . . . 81 LEU CA . 6769 1 989 . 1 1 81 81 LEU CB C 13 41.779 0.4 . 1 . . . . 81 LEU CB . 6769 1 990 . 1 1 81 81 LEU CG C 13 26.541 0.4 . 1 . . . . 81 LEU CG . 6769 1 991 . 1 1 81 81 LEU CD1 C 13 26.188 0.4 . 1 . . . . 81 LEU CD1 . 6769 1 992 . 1 1 81 81 LEU CD2 C 13 23.224 0.4 . 1 . . . . 81 LEU CD2 . 6769 1 993 . 1 1 81 81 LEU N N 15 118.004 0.4 . 1 . . . . 81 LEU N . 6769 1 994 . 1 1 82 82 SER H H 1 7.738 0.02 . 1 . . . . 82 SER H . 6769 1 995 . 1 1 82 82 SER HA H 1 4.355 0.02 . 1 . . . . 82 SER HA . 6769 1 996 . 1 1 82 82 SER HB2 H 1 3.853 0.02 . 1 . . . . 82 SER HB2 . 6769 1 997 . 1 1 82 82 SER HB3 H 1 3.894 0.02 . 1 . . . . 82 SER HB3 . 6769 1 998 . 1 1 82 82 SER C C 13 174.800 0.4 . 1 . . . . 82 SER C . 6769 1 999 . 1 1 82 82 SER CA C 13 59.691 0.4 . 1 . . . . 82 SER CA . 6769 1 1000 . 1 1 82 82 SER CB C 13 63.747 0.4 . 1 . . . . 82 SER CB . 6769 1 1001 . 1 1 82 82 SER N N 15 114.202 0.4 . 1 . . . . 82 SER N . 6769 1 1002 . 1 1 83 83 HIS H H 1 7.843 0.02 . 1 . . . . 83 HIS H . 6769 1 1003 . 1 1 83 83 HIS HA H 1 4.567 0.02 . 1 . . . . 83 HIS HA . 6769 1 1004 . 1 1 83 83 HIS HB2 H 1 2.944 0.02 . 1 . . . . 83 HIS HB2 . 6769 1 1005 . 1 1 83 83 HIS HB3 H 1 3.124 0.02 . 1 . . . . 83 HIS HB3 . 6769 1 1006 . 1 1 83 83 HIS C C 13 176.070 0.4 . 1 . . . . 83 HIS C . 6769 1 1007 . 1 1 83 83 HIS CA C 13 57.412 0.4 . 1 . . . . 83 HIS CA . 6769 1 1008 . 1 1 83 83 HIS CB C 13 30.670 0.4 . 1 . . . . 83 HIS CB . 6769 1 stop_ save_