data_10063 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10063 _Entry.Title ; Solution structure of the fourth SH3 domain of human intersectin 2 (KIAA1256) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _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 N. Tochio . . . 10063 2 T. Kigawa . . . 10063 3 S. Koshiba . . . 10063 4 N. Kobayashi . . . 10063 5 M. Inoue . . . 10063 6 S. Yokoyama . . . 10063 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10063 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10063 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 10063 '15N chemical shifts' 74 10063 '1H chemical shifts' 482 10063 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 . . 2008-08-14 2006-12-25 original author . 10063 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UE9 'BMRB Entry Tracking System' 10063 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10063 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the fourth SH3 domain of human intersectin 2 (KIAA1256)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 10063 1 2 T. Kigawa . . . 10063 1 3 S. Koshiba . . . 10063 1 4 N. Kobayashi . . . 10063 1 5 M. Inoue . . . 10063 1 6 S. Yokoyama . . . 10063 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10063 _Assembly.ID 1 _Assembly.Name 'Intersectin 2' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10063 1 stop_ 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 'Intersectin 2' 1 $entity_1 . . yes native no no . . . 10063 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UE9 . . . . . . 10063 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10063 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGEIAQVTSAYVASG SEQLSLAPGQLILILKKNTS GWWQGELQARGKKRQKGWFP ASHVKLLGPSSERASGPSSG ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1UE9 . "Solution Structure Of The Fourth Sh3 Domain Of Human Intersectin 2 (Kiaa1256)" . . . . . 100.00 80 100.00 100.00 3.16e-46 . . . . 10063 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10063 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10063 1 2 . SER . 10063 1 3 . SER . 10063 1 4 . GLY . 10063 1 5 . SER . 10063 1 6 . SER . 10063 1 7 . GLY . 10063 1 8 . GLU . 10063 1 9 . ILE . 10063 1 10 . ALA . 10063 1 11 . GLN . 10063 1 12 . VAL . 10063 1 13 . THR . 10063 1 14 . SER . 10063 1 15 . ALA . 10063 1 16 . TYR . 10063 1 17 . VAL . 10063 1 18 . ALA . 10063 1 19 . SER . 10063 1 20 . GLY . 10063 1 21 . SER . 10063 1 22 . GLU . 10063 1 23 . GLN . 10063 1 24 . LEU . 10063 1 25 . SER . 10063 1 26 . LEU . 10063 1 27 . ALA . 10063 1 28 . PRO . 10063 1 29 . GLY . 10063 1 30 . GLN . 10063 1 31 . LEU . 10063 1 32 . ILE . 10063 1 33 . LEU . 10063 1 34 . ILE . 10063 1 35 . LEU . 10063 1 36 . LYS . 10063 1 37 . LYS . 10063 1 38 . ASN . 10063 1 39 . THR . 10063 1 40 . SER . 10063 1 41 . GLY . 10063 1 42 . TRP . 10063 1 43 . TRP . 10063 1 44 . GLN . 10063 1 45 . GLY . 10063 1 46 . GLU . 10063 1 47 . LEU . 10063 1 48 . GLN . 10063 1 49 . ALA . 10063 1 50 . ARG . 10063 1 51 . GLY . 10063 1 52 . LYS . 10063 1 53 . LYS . 10063 1 54 . ARG . 10063 1 55 . GLN . 10063 1 56 . LYS . 10063 1 57 . GLY . 10063 1 58 . TRP . 10063 1 59 . PHE . 10063 1 60 . PRO . 10063 1 61 . ALA . 10063 1 62 . SER . 10063 1 63 . HIS . 10063 1 64 . VAL . 10063 1 65 . LYS . 10063 1 66 . LEU . 10063 1 67 . LEU . 10063 1 68 . GLY . 10063 1 69 . PRO . 10063 1 70 . SER . 10063 1 71 . SER . 10063 1 72 . GLU . 10063 1 73 . ARG . 10063 1 74 . ALA . 10063 1 75 . SER . 10063 1 76 . GLY . 10063 1 77 . PRO . 10063 1 78 . SER . 10063 1 79 . SER . 10063 1 80 . GLY . 10063 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10063 1 . SER 2 2 10063 1 . SER 3 3 10063 1 . GLY 4 4 10063 1 . SER 5 5 10063 1 . SER 6 6 10063 1 . GLY 7 7 10063 1 . GLU 8 8 10063 1 . ILE 9 9 10063 1 . ALA 10 10 10063 1 . GLN 11 11 10063 1 . VAL 12 12 10063 1 . THR 13 13 10063 1 . SER 14 14 10063 1 . ALA 15 15 10063 1 . TYR 16 16 10063 1 . VAL 17 17 10063 1 . ALA 18 18 10063 1 . SER 19 19 10063 1 . GLY 20 20 10063 1 . SER 21 21 10063 1 . GLU 22 22 10063 1 . GLN 23 23 10063 1 . LEU 24 24 10063 1 . SER 25 25 10063 1 . LEU 26 26 10063 1 . ALA 27 27 10063 1 . PRO 28 28 10063 1 . GLY 29 29 10063 1 . GLN 30 30 10063 1 . LEU 31 31 10063 1 . ILE 32 32 10063 1 . LEU 33 33 10063 1 . ILE 34 34 10063 1 . LEU 35 35 10063 1 . LYS 36 36 10063 1 . LYS 37 37 10063 1 . ASN 38 38 10063 1 . THR 39 39 10063 1 . SER 40 40 10063 1 . GLY 41 41 10063 1 . TRP 42 42 10063 1 . TRP 43 43 10063 1 . GLN 44 44 10063 1 . GLY 45 45 10063 1 . GLU 46 46 10063 1 . LEU 47 47 10063 1 . GLN 48 48 10063 1 . ALA 49 49 10063 1 . ARG 50 50 10063 1 . GLY 51 51 10063 1 . LYS 52 52 10063 1 . LYS 53 53 10063 1 . ARG 54 54 10063 1 . GLN 55 55 10063 1 . LYS 56 56 10063 1 . GLY 57 57 10063 1 . TRP 58 58 10063 1 . PHE 59 59 10063 1 . PRO 60 60 10063 1 . ALA 61 61 10063 1 . SER 62 62 10063 1 . HIS 63 63 10063 1 . VAL 64 64 10063 1 . LYS 65 65 10063 1 . LEU 66 66 10063 1 . LEU 67 67 10063 1 . GLY 68 68 10063 1 . PRO 69 69 10063 1 . SER 70 70 10063 1 . SER 71 71 10063 1 . GLU 72 72 10063 1 . ARG 73 73 10063 1 . ALA 74 74 10063 1 . SER 75 75 10063 1 . GLY 76 76 10063 1 . PRO 77 77 10063 1 . SER 78 78 10063 1 . SER 79 79 10063 1 . GLY 80 80 10063 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 10063 _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 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10063 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 10063 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021015-65 . . . . . . 10063 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10063 _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.4 . . mM . . . . 10063 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10063 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10063 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 10063 1 5 H2O . . . . . . solvent 90 . . % . . . . 10063 1 6 D2O . . . . . . solvent 10 . . % . . . . 10063 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10063 _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' 120 0.1 mM 10063 1 pH 6.0 0.05 pH 10063 1 pressure 1 0.001 atm 10063 1 temperature 298 0.1 K 10063 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10063 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10063 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10063 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10063 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10063 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10063 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10063 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10063 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10063 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10063 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10063 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10063 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10063 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10063 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10063 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10063 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10063 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10063 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10063 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10063 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated 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 $spectrometer_1 _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10063 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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 $spectrometer_1 _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 . _NMR_spec_expt.Software_label . _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10063 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . . . . . . . . . 10063 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10063 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10063 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10063 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10063 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10063 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 6 6 SER HA H 1 4.513 0.030 . 1 . . . . 6 SER HA . 10063 1 2 . 1 1 7 7 GLY H H 1 8.281 0.030 . 1 . . . . 7 GLY H . 10063 1 3 . 1 1 7 7 GLY HA2 H 1 3.962 0.030 . 1 . . . . 7 GLY HA2 . 10063 1 4 . 1 1 7 7 GLY HA3 H 1 3.962 0.030 . 1 . . . . 7 GLY HA3 . 10063 1 5 . 1 1 7 7 GLY C C 13 173.295 0.300 . 1 . . . . 7 GLY C . 10063 1 6 . 1 1 7 7 GLY CA C 13 45.229 0.300 . 1 . . . . 7 GLY CA . 10063 1 7 . 1 1 7 7 GLY N N 15 110.108 0.300 . 1 . . . . 7 GLY N . 10063 1 8 . 1 1 8 8 GLU H H 1 8.413 0.030 . 1 . . . . 8 GLU H . 10063 1 9 . 1 1 8 8 GLU HA H 1 4.355 0.030 . 1 . . . . 8 GLU HA . 10063 1 10 . 1 1 8 8 GLU HB2 H 1 1.946 0.030 . 2 . . . . 8 GLU HB2 . 10063 1 11 . 1 1 8 8 GLU HB3 H 1 1.799 0.030 . 2 . . . . 8 GLU HB3 . 10063 1 12 . 1 1 8 8 GLU HG2 H 1 2.181 0.030 . 2 . . . . 8 GLU HG2 . 10063 1 13 . 1 1 8 8 GLU HG3 H 1 2.067 0.030 . 2 . . . . 8 GLU HG3 . 10063 1 14 . 1 1 8 8 GLU C C 13 174.288 0.300 . 1 . . . . 8 GLU C . 10063 1 15 . 1 1 8 8 GLU CA C 13 56.381 0.300 . 1 . . . . 8 GLU CA . 10063 1 16 . 1 1 8 8 GLU CB C 13 31.724 0.300 . 1 . . . . 8 GLU CB . 10063 1 17 . 1 1 8 8 GLU CG C 13 36.904 0.300 . 1 . . . . 8 GLU CG . 10063 1 18 . 1 1 8 8 GLU N N 15 121.469 0.300 . 1 . . . . 8 GLU N . 10063 1 19 . 1 1 9 9 ILE H H 1 8.400 0.030 . 1 . . . . 9 ILE H . 10063 1 20 . 1 1 9 9 ILE HA H 1 5.066 0.030 . 1 . . . . 9 ILE HA . 10063 1 21 . 1 1 9 9 ILE HB H 1 1.828 0.030 . 1 . . . . 9 ILE HB . 10063 1 22 . 1 1 9 9 ILE HG12 H 1 1.481 0.030 . 2 . . . . 9 ILE HG12 . 10063 1 23 . 1 1 9 9 ILE HG13 H 1 1.288 0.030 . 2 . . . . 9 ILE HG13 . 10063 1 24 . 1 1 9 9 ILE HG21 H 1 0.903 0.030 . 1 . . . . 9 ILE HG2 . 10063 1 25 . 1 1 9 9 ILE HG22 H 1 0.903 0.030 . 1 . . . . 9 ILE HG2 . 10063 1 26 . 1 1 9 9 ILE HG23 H 1 0.903 0.030 . 1 . . . . 9 ILE HG2 . 10063 1 27 . 1 1 9 9 ILE HD11 H 1 0.773 0.030 . 1 . . . . 9 ILE HD1 . 10063 1 28 . 1 1 9 9 ILE HD12 H 1 0.773 0.030 . 1 . . . . 9 ILE HD1 . 10063 1 29 . 1 1 9 9 ILE HD13 H 1 0.773 0.030 . 1 . . . . 9 ILE HD1 . 10063 1 30 . 1 1 9 9 ILE C C 13 174.627 0.300 . 1 . . . . 9 ILE C . 10063 1 31 . 1 1 9 9 ILE CA C 13 58.703 0.300 . 1 . . . . 9 ILE CA . 10063 1 32 . 1 1 9 9 ILE CB C 13 39.441 0.300 . 1 . . . . 9 ILE CB . 10063 1 33 . 1 1 9 9 ILE CG1 C 13 27.282 0.300 . 1 . . . . 9 ILE CG1 . 10063 1 34 . 1 1 9 9 ILE CG2 C 13 18.744 0.300 . 1 . . . . 9 ILE CG2 . 10063 1 35 . 1 1 9 9 ILE CD1 C 13 11.617 0.300 . 1 . . . . 9 ILE CD1 . 10063 1 36 . 1 1 9 9 ILE N N 15 122.979 0.300 . 1 . . . . 9 ILE N . 10063 1 37 . 1 1 10 10 ALA H H 1 9.393 0.030 . 1 . . . . 10 ALA H . 10063 1 38 . 1 1 10 10 ALA HA H 1 5.332 0.030 . 1 . . . . 10 ALA HA . 10063 1 39 . 1 1 10 10 ALA HB1 H 1 1.333 0.030 . 1 . . . . 10 ALA HB . 10063 1 40 . 1 1 10 10 ALA HB2 H 1 1.333 0.030 . 1 . . . . 10 ALA HB . 10063 1 41 . 1 1 10 10 ALA HB3 H 1 1.333 0.030 . 1 . . . . 10 ALA HB . 10063 1 42 . 1 1 10 10 ALA C C 13 174.361 0.300 . 1 . . . . 10 ALA C . 10063 1 43 . 1 1 10 10 ALA CA C 13 49.486 0.300 . 1 . . . . 10 ALA CA . 10063 1 44 . 1 1 10 10 ALA CB C 13 23.749 0.300 . 1 . . . . 10 ALA CB . 10063 1 45 . 1 1 10 10 ALA N N 15 127.596 0.300 . 1 . . . . 10 ALA N . 10063 1 46 . 1 1 11 11 GLN H H 1 9.043 0.030 . 1 . . . . 11 GLN H . 10063 1 47 . 1 1 11 11 GLN HA H 1 5.397 0.030 . 1 . . . . 11 GLN HA . 10063 1 48 . 1 1 11 11 GLN HB2 H 1 1.934 0.030 . 2 . . . . 11 GLN HB2 . 10063 1 49 . 1 1 11 11 GLN HB3 H 1 1.813 0.030 . 2 . . . . 11 GLN HB3 . 10063 1 50 . 1 1 11 11 GLN HG2 H 1 2.100 0.030 . 1 . . . . 11 GLN HG2 . 10063 1 51 . 1 1 11 11 GLN HG3 H 1 2.100 0.030 . 1 . . . . 11 GLN HG3 . 10063 1 52 . 1 1 11 11 GLN HE21 H 1 7.429 0.030 . 2 . . . . 11 GLN HE21 . 10063 1 53 . 1 1 11 11 GLN HE22 H 1 6.856 0.030 . 2 . . . . 11 GLN HE22 . 10063 1 54 . 1 1 11 11 GLN C C 13 175.935 0.300 . 1 . . . . 11 GLN C . 10063 1 55 . 1 1 11 11 GLN CA C 13 53.145 0.300 . 1 . . . . 11 GLN CA . 10063 1 56 . 1 1 11 11 GLN CB C 13 32.861 0.300 . 1 . . . . 11 GLN CB . 10063 1 57 . 1 1 11 11 GLN CG C 13 33.808 0.300 . 1 . . . . 11 GLN CG . 10063 1 58 . 1 1 11 11 GLN N N 15 119.804 0.300 . 1 . . . . 11 GLN N . 10063 1 59 . 1 1 11 11 GLN NE2 N 15 111.289 0.300 . 1 . . . . 11 GLN NE2 . 10063 1 60 . 1 1 12 12 VAL H H 1 9.037 0.030 . 1 . . . . 12 VAL H . 10063 1 61 . 1 1 12 12 VAL HA H 1 4.129 0.030 . 1 . . . . 12 VAL HA . 10063 1 62 . 1 1 12 12 VAL HB H 1 2.254 0.030 . 1 . . . . 12 VAL HB . 10063 1 63 . 1 1 12 12 VAL HG11 H 1 0.965 0.030 . 1 . . . . 12 VAL HG1 . 10063 1 64 . 1 1 12 12 VAL HG12 H 1 0.965 0.030 . 1 . . . . 12 VAL HG1 . 10063 1 65 . 1 1 12 12 VAL HG13 H 1 0.965 0.030 . 1 . . . . 12 VAL HG1 . 10063 1 66 . 1 1 12 12 VAL HG21 H 1 0.727 0.030 . 1 . . . . 12 VAL HG2 . 10063 1 67 . 1 1 12 12 VAL HG22 H 1 0.727 0.030 . 1 . . . . 12 VAL HG2 . 10063 1 68 . 1 1 12 12 VAL HG23 H 1 0.727 0.030 . 1 . . . . 12 VAL HG2 . 10063 1 69 . 1 1 12 12 VAL C C 13 177.850 0.300 . 1 . . . . 12 VAL C . 10063 1 70 . 1 1 12 12 VAL CA C 13 63.805 0.300 . 1 . . . . 12 VAL CA . 10063 1 71 . 1 1 12 12 VAL CB C 13 32.300 0.300 . 1 . . . . 12 VAL CB . 10063 1 72 . 1 1 12 12 VAL CG1 C 13 23.502 0.300 . 2 . . . . 12 VAL CG1 . 10063 1 73 . 1 1 12 12 VAL CG2 C 13 23.601 0.300 . 2 . . . . 12 VAL CG2 . 10063 1 74 . 1 1 12 12 VAL N N 15 126.065 0.300 . 1 . . . . 12 VAL N . 10063 1 75 . 1 1 13 13 THR H H 1 9.439 0.030 . 1 . . . . 13 THR H . 10063 1 76 . 1 1 13 13 THR HA H 1 4.454 0.030 . 1 . . . . 13 THR HA . 10063 1 77 . 1 1 13 13 THR HB H 1 4.245 0.030 . 1 . . . . 13 THR HB . 10063 1 78 . 1 1 13 13 THR HG21 H 1 1.129 0.030 . 1 . . . . 13 THR HG2 . 10063 1 79 . 1 1 13 13 THR HG22 H 1 1.129 0.030 . 1 . . . . 13 THR HG2 . 10063 1 80 . 1 1 13 13 THR HG23 H 1 1.129 0.030 . 1 . . . . 13 THR HG2 . 10063 1 81 . 1 1 13 13 THR C C 13 174.797 0.300 . 1 . . . . 13 THR C . 10063 1 82 . 1 1 13 13 THR CA C 13 62.046 0.300 . 1 . . . . 13 THR CA . 10063 1 83 . 1 1 13 13 THR CB C 13 69.218 0.300 . 1 . . . . 13 THR CB . 10063 1 84 . 1 1 13 13 THR CG2 C 13 22.515 0.300 . 1 . . . . 13 THR CG2 . 10063 1 85 . 1 1 13 13 THR N N 15 122.055 0.300 . 1 . . . . 13 THR N . 10063 1 86 . 1 1 14 14 SER H H 1 7.593 0.030 . 1 . . . . 14 SER H . 10063 1 87 . 1 1 14 14 SER HA H 1 4.627 0.030 . 1 . . . . 14 SER HA . 10063 1 88 . 1 1 14 14 SER HB2 H 1 3.702 0.030 . 2 . . . . 14 SER HB2 . 10063 1 89 . 1 1 14 14 SER HB3 H 1 3.657 0.030 . 2 . . . . 14 SER HB3 . 10063 1 90 . 1 1 14 14 SER C C 13 172.350 0.300 . 1 . . . . 14 SER C . 10063 1 91 . 1 1 14 14 SER CA C 13 57.437 0.300 . 1 . . . . 14 SER CA . 10063 1 92 . 1 1 14 14 SER CB C 13 65.108 0.300 . 1 . . . . 14 SER CB . 10063 1 93 . 1 1 14 14 SER N N 15 116.643 0.300 . 1 . . . . 14 SER N . 10063 1 94 . 1 1 15 15 ALA H H 1 8.821 0.030 . 1 . . . . 15 ALA H . 10063 1 95 . 1 1 15 15 ALA HA H 1 4.083 0.030 . 1 . . . . 15 ALA HA . 10063 1 96 . 1 1 15 15 ALA HB1 H 1 1.475 0.030 . 1 . . . . 15 ALA HB . 10063 1 97 . 1 1 15 15 ALA HB2 H 1 1.475 0.030 . 1 . . . . 15 ALA HB . 10063 1 98 . 1 1 15 15 ALA HB3 H 1 1.475 0.030 . 1 . . . . 15 ALA HB . 10063 1 99 . 1 1 15 15 ALA C C 13 176.977 0.300 . 1 . . . . 15 ALA C . 10063 1 100 . 1 1 15 15 ALA CA C 13 52.758 0.300 . 1 . . . . 15 ALA CA . 10063 1 101 . 1 1 15 15 ALA CB C 13 19.664 0.300 . 1 . . . . 15 ALA CB . 10063 1 102 . 1 1 15 15 ALA N N 15 124.761 0.300 . 1 . . . . 15 ALA N . 10063 1 103 . 1 1 16 16 TYR H H 1 8.535 0.030 . 1 . . . . 16 TYR H . 10063 1 104 . 1 1 16 16 TYR HA H 1 4.684 0.030 . 1 . . . . 16 TYR HA . 10063 1 105 . 1 1 16 16 TYR HB2 H 1 2.430 0.030 . 2 . . . . 16 TYR HB2 . 10063 1 106 . 1 1 16 16 TYR HB3 H 1 2.330 0.030 . 2 . . . . 16 TYR HB3 . 10063 1 107 . 1 1 16 16 TYR HD1 H 1 7.198 0.030 . 1 . . . . 16 TYR HD1 . 10063 1 108 . 1 1 16 16 TYR HD2 H 1 7.198 0.030 . 1 . . . . 16 TYR HD2 . 10063 1 109 . 1 1 16 16 TYR HE1 H 1 6.965 0.030 . 1 . . . . 16 TYR HE1 . 10063 1 110 . 1 1 16 16 TYR HE2 H 1 6.965 0.030 . 1 . . . . 16 TYR HE2 . 10063 1 111 . 1 1 16 16 TYR C C 13 173.682 0.300 . 1 . . . . 16 TYR C . 10063 1 112 . 1 1 16 16 TYR CA C 13 57.965 0.300 . 1 . . . . 16 TYR CA . 10063 1 113 . 1 1 16 16 TYR CB C 13 42.742 0.300 . 1 . . . . 16 TYR CB . 10063 1 114 . 1 1 16 16 TYR CD1 C 13 133.170 0.300 . 1 . . . . 16 TYR CD1 . 10063 1 115 . 1 1 16 16 TYR CD2 C 13 133.170 0.300 . 1 . . . . 16 TYR CD2 . 10063 1 116 . 1 1 16 16 TYR CE1 C 13 118.249 0.300 . 1 . . . . 16 TYR CE1 . 10063 1 117 . 1 1 16 16 TYR CE2 C 13 118.249 0.300 . 1 . . . . 16 TYR CE2 . 10063 1 118 . 1 1 16 16 TYR N N 15 119.691 0.300 . 1 . . . . 16 TYR N . 10063 1 119 . 1 1 17 17 VAL H H 1 7.839 0.030 . 1 . . . . 17 VAL H . 10063 1 120 . 1 1 17 17 VAL HA H 1 3.944 0.030 . 1 . . . . 17 VAL HA . 10063 1 121 . 1 1 17 17 VAL HB H 1 1.688 0.030 . 1 . . . . 17 VAL HB . 10063 1 122 . 1 1 17 17 VAL HG11 H 1 0.824 0.030 . 1 . . . . 17 VAL HG1 . 10063 1 123 . 1 1 17 17 VAL HG12 H 1 0.824 0.030 . 1 . . . . 17 VAL HG1 . 10063 1 124 . 1 1 17 17 VAL HG13 H 1 0.824 0.030 . 1 . . . . 17 VAL HG1 . 10063 1 125 . 1 1 17 17 VAL HG21 H 1 0.808 0.030 . 1 . . . . 17 VAL HG2 . 10063 1 126 . 1 1 17 17 VAL HG22 H 1 0.808 0.030 . 1 . . . . 17 VAL HG2 . 10063 1 127 . 1 1 17 17 VAL HG23 H 1 0.808 0.030 . 1 . . . . 17 VAL HG2 . 10063 1 128 . 1 1 17 17 VAL C C 13 173.610 0.300 . 1 . . . . 17 VAL C . 10063 1 129 . 1 1 17 17 VAL CA C 13 61.201 0.300 . 1 . . . . 17 VAL CA . 10063 1 130 . 1 1 17 17 VAL CB C 13 32.218 0.300 . 1 . . . . 17 VAL CB . 10063 1 131 . 1 1 17 17 VAL CG1 C 13 20.706 0.300 . 1 . . . . 17 VAL CG1 . 10063 1 132 . 1 1 17 17 VAL CG2 C 13 20.706 0.300 . 1 . . . . 17 VAL CG2 . 10063 1 133 . 1 1 17 17 VAL N N 15 130.755 0.300 . 1 . . . . 17 VAL N . 10063 1 134 . 1 1 18 18 ALA H H 1 8.201 0.030 . 1 . . . . 18 ALA H . 10063 1 135 . 1 1 18 18 ALA HA H 1 4.098 0.030 . 1 . . . . 18 ALA HA . 10063 1 136 . 1 1 18 18 ALA HB1 H 1 1.407 0.030 . 1 . . . . 18 ALA HB . 10063 1 137 . 1 1 18 18 ALA HB2 H 1 1.407 0.030 . 1 . . . . 18 ALA HB . 10063 1 138 . 1 1 18 18 ALA HB3 H 1 1.407 0.030 . 1 . . . . 18 ALA HB . 10063 1 139 . 1 1 18 18 ALA C C 13 178.237 0.300 . 1 . . . . 18 ALA C . 10063 1 140 . 1 1 18 18 ALA CA C 13 53.285 0.300 . 1 . . . . 18 ALA CA . 10063 1 141 . 1 1 18 18 ALA CB C 13 20.589 0.300 . 1 . . . . 18 ALA CB . 10063 1 142 . 1 1 18 18 ALA N N 15 128.653 0.300 . 1 . . . . 18 ALA N . 10063 1 143 . 1 1 19 19 SER H H 1 8.217 0.030 . 1 . . . . 19 SER H . 10063 1 144 . 1 1 19 19 SER HA H 1 4.621 0.030 . 1 . . . . 19 SER HA . 10063 1 145 . 1 1 19 19 SER HB2 H 1 3.995 0.030 . 2 . . . . 19 SER HB2 . 10063 1 146 . 1 1 19 19 SER HB3 H 1 3.887 0.030 . 2 . . . . 19 SER HB3 . 10063 1 147 . 1 1 19 19 SER C C 13 174.046 0.300 . 1 . . . . 19 SER C . 10063 1 148 . 1 1 19 19 SER CA C 13 57.226 0.300 . 1 . . . . 19 SER CA . 10063 1 149 . 1 1 19 19 SER CB C 13 63.956 0.300 . 1 . . . . 19 SER CB . 10063 1 150 . 1 1 19 19 SER N N 15 115.998 0.300 . 1 . . . . 19 SER N . 10063 1 151 . 1 1 20 20 GLY H H 1 7.570 0.030 . 1 . . . . 20 GLY H . 10063 1 152 . 1 1 20 20 GLY HA2 H 1 4.165 0.030 . 1 . . . . 20 GLY HA2 . 10063 1 153 . 1 1 20 20 GLY HA3 H 1 4.165 0.030 . 1 . . . . 20 GLY HA3 . 10063 1 154 . 1 1 20 20 GLY C C 13 174.482 0.300 . 1 . . . . 20 GLY C . 10063 1 155 . 1 1 20 20 GLY CA C 13 44.947 0.300 . 1 . . . . 20 GLY CA . 10063 1 156 . 1 1 20 20 GLY N N 15 109.091 0.300 . 1 . . . . 20 GLY N . 10063 1 157 . 1 1 21 21 SER H H 1 8.646 0.030 . 1 . . . . 21 SER H . 10063 1 158 . 1 1 21 21 SER HA H 1 4.340 0.030 . 1 . . . . 21 SER HA . 10063 1 159 . 1 1 21 21 SER HB2 H 1 4.034 0.030 . 2 . . . . 21 SER HB2 . 10063 1 160 . 1 1 21 21 SER HB3 H 1 3.980 0.030 . 2 . . . . 21 SER HB3 . 10063 1 161 . 1 1 21 21 SER C C 13 175.257 0.300 . 1 . . . . 21 SER C . 10063 1 162 . 1 1 21 21 SER CA C 13 60.779 0.300 . 1 . . . . 21 SER CA . 10063 1 163 . 1 1 21 21 SER CB C 13 63.545 0.300 . 1 . . . . 21 SER CB . 10063 1 164 . 1 1 21 21 SER N N 15 115.649 0.300 . 1 . . . . 21 SER N . 10063 1 165 . 1 1 22 22 GLU H H 1 9.238 0.030 . 1 . . . . 22 GLU H . 10063 1 166 . 1 1 22 22 GLU HA H 1 4.649 0.030 . 1 . . . . 22 GLU HA . 10063 1 167 . 1 1 22 22 GLU HB2 H 1 2.506 0.030 . 2 . . . . 22 GLU HB2 . 10063 1 168 . 1 1 22 22 GLU HB3 H 1 2.238 0.030 . 2 . . . . 22 GLU HB3 . 10063 1 169 . 1 1 22 22 GLU HG2 H 1 2.415 0.030 . 2 . . . . 22 GLU HG2 . 10063 1 170 . 1 1 22 22 GLU HG3 H 1 2.321 0.030 . 2 . . . . 22 GLU HG3 . 10063 1 171 . 1 1 22 22 GLU C C 13 176.420 0.300 . 1 . . . . 22 GLU C . 10063 1 172 . 1 1 22 22 GLU CA C 13 56.804 0.300 . 1 . . . . 22 GLU CA . 10063 1 173 . 1 1 22 22 GLU CB C 13 29.011 0.300 . 1 . . . . 22 GLU CB . 10063 1 174 . 1 1 22 22 GLU CG C 13 36.740 0.300 . 1 . . . . 22 GLU CG . 10063 1 175 . 1 1 22 22 GLU N N 15 119.705 0.300 . 1 . . . . 22 GLU N . 10063 1 176 . 1 1 23 23 GLN H H 1 7.684 0.030 . 1 . . . . 23 GLN H . 10063 1 177 . 1 1 23 23 GLN HA H 1 5.637 0.030 . 1 . . . . 23 GLN HA . 10063 1 178 . 1 1 23 23 GLN HB2 H 1 2.700 0.030 . 2 . . . . 23 GLN HB2 . 10063 1 179 . 1 1 23 23 GLN HB3 H 1 2.264 0.030 . 2 . . . . 23 GLN HB3 . 10063 1 180 . 1 1 23 23 GLN HG2 H 1 2.566 0.030 . 1 . . . . 23 GLN HG2 . 10063 1 181 . 1 1 23 23 GLN HG3 H 1 2.566 0.030 . 1 . . . . 23 GLN HG3 . 10063 1 182 . 1 1 23 23 GLN HE21 H 1 7.619 0.030 . 2 . . . . 23 GLN HE21 . 10063 1 183 . 1 1 23 23 GLN HE22 H 1 7.228 0.030 . 2 . . . . 23 GLN HE22 . 10063 1 184 . 1 1 23 23 GLN C C 13 175.088 0.300 . 1 . . . . 23 GLN C . 10063 1 185 . 1 1 23 23 GLN CA C 13 55.009 0.300 . 1 . . . . 23 GLN CA . 10063 1 186 . 1 1 23 23 GLN CB C 13 31.949 0.300 . 1 . . . . 23 GLN CB . 10063 1 187 . 1 1 23 23 GLN CG C 13 34.273 0.300 . 1 . . . . 23 GLN CG . 10063 1 188 . 1 1 23 23 GLN N N 15 118.296 0.300 . 1 . . . . 23 GLN N . 10063 1 189 . 1 1 23 23 GLN NE2 N 15 114.943 0.300 . 1 . . . . 23 GLN NE2 . 10063 1 190 . 1 1 24 24 LEU H H 1 8.615 0.030 . 1 . . . . 24 LEU H . 10063 1 191 . 1 1 24 24 LEU HA H 1 4.691 0.030 . 1 . . . . 24 LEU HA . 10063 1 192 . 1 1 24 24 LEU HB2 H 1 1.686 0.030 . 2 . . . . 24 LEU HB2 . 10063 1 193 . 1 1 24 24 LEU HB3 H 1 1.086 0.030 . 2 . . . . 24 LEU HB3 . 10063 1 194 . 1 1 24 24 LEU HG H 1 1.549 0.030 . 1 . . . . 24 LEU HG . 10063 1 195 . 1 1 24 24 LEU HD11 H 1 0.793 0.030 . 1 . . . . 24 LEU HD1 . 10063 1 196 . 1 1 24 24 LEU HD12 H 1 0.793 0.030 . 1 . . . . 24 LEU HD1 . 10063 1 197 . 1 1 24 24 LEU HD13 H 1 0.793 0.030 . 1 . . . . 24 LEU HD1 . 10063 1 198 . 1 1 24 24 LEU HD21 H 1 0.699 0.030 . 1 . . . . 24 LEU HD2 . 10063 1 199 . 1 1 24 24 LEU HD22 H 1 0.699 0.030 . 1 . . . . 24 LEU HD2 . 10063 1 200 . 1 1 24 24 LEU HD23 H 1 0.699 0.030 . 1 . . . . 24 LEU HD2 . 10063 1 201 . 1 1 24 24 LEU C C 13 175.475 0.300 . 1 . . . . 24 LEU C . 10063 1 202 . 1 1 24 24 LEU CA C 13 53.391 0.300 . 1 . . . . 24 LEU CA . 10063 1 203 . 1 1 24 24 LEU CB C 13 45.949 0.300 . 1 . . . . 24 LEU CB . 10063 1 204 . 1 1 24 24 LEU CG C 13 26.215 0.300 . 1 . . . . 24 LEU CG . 10063 1 205 . 1 1 24 24 LEU CD1 C 13 24.635 0.300 . 2 . . . . 24 LEU CD1 . 10063 1 206 . 1 1 24 24 LEU CD2 C 13 24.656 0.300 . 2 . . . . 24 LEU CD2 . 10063 1 207 . 1 1 24 24 LEU N N 15 123.454 0.300 . 1 . . . . 24 LEU N . 10063 1 208 . 1 1 25 25 SER H H 1 8.080 0.030 . 1 . . . . 25 SER H . 10063 1 209 . 1 1 25 25 SER HA H 1 4.797 0.030 . 1 . . . . 25 SER HA . 10063 1 210 . 1 1 25 25 SER HB2 H 1 4.038 0.030 . 2 . . . . 25 SER HB2 . 10063 1 211 . 1 1 25 25 SER HB3 H 1 3.850 0.030 . 2 . . . . 25 SER HB3 . 10063 1 212 . 1 1 25 25 SER C C 13 173.731 0.300 . 1 . . . . 25 SER C . 10063 1 213 . 1 1 25 25 SER CA C 13 59.337 0.300 . 1 . . . . 25 SER CA . 10063 1 214 . 1 1 25 25 SER CB C 13 64.038 0.300 . 1 . . . . 25 SER CB . 10063 1 215 . 1 1 25 25 SER N N 15 118.144 0.300 . 1 . . . . 25 SER N . 10063 1 216 . 1 1 26 26 LEU H H 1 9.290 0.030 . 1 . . . . 26 LEU H . 10063 1 217 . 1 1 26 26 LEU HA H 1 4.827 0.030 . 1 . . . . 26 LEU HA . 10063 1 218 . 1 1 26 26 LEU HB2 H 1 1.687 0.030 . 2 . . . . 26 LEU HB2 . 10063 1 219 . 1 1 26 26 LEU HB3 H 1 1.554 0.030 . 2 . . . . 26 LEU HB3 . 10063 1 220 . 1 1 26 26 LEU HG H 1 1.751 0.030 . 1 . . . . 26 LEU HG . 10063 1 221 . 1 1 26 26 LEU HD11 H 1 0.441 0.030 . 1 . . . . 26 LEU HD1 . 10063 1 222 . 1 1 26 26 LEU HD12 H 1 0.441 0.030 . 1 . . . . 26 LEU HD1 . 10063 1 223 . 1 1 26 26 LEU HD13 H 1 0.441 0.030 . 1 . . . . 26 LEU HD1 . 10063 1 224 . 1 1 26 26 LEU HD21 H 1 0.315 0.030 . 1 . . . . 26 LEU HD2 . 10063 1 225 . 1 1 26 26 LEU HD22 H 1 0.315 0.030 . 1 . . . . 26 LEU HD2 . 10063 1 226 . 1 1 26 26 LEU HD23 H 1 0.315 0.030 . 1 . . . . 26 LEU HD2 . 10063 1 227 . 1 1 26 26 LEU C C 13 176.008 0.300 . 1 . . . . 26 LEU C . 10063 1 228 . 1 1 26 26 LEU CA C 13 53.602 0.300 . 1 . . . . 26 LEU CA . 10063 1 229 . 1 1 26 26 LEU CB C 13 46.263 0.300 . 1 . . . . 26 LEU CB . 10063 1 230 . 1 1 26 26 LEU CG C 13 25.824 0.300 . 1 . . . . 26 LEU CG . 10063 1 231 . 1 1 26 26 LEU CD1 C 13 25.393 0.300 . 2 . . . . 26 LEU CD1 . 10063 1 232 . 1 1 26 26 LEU CD2 C 13 22.433 0.300 . 2 . . . . 26 LEU CD2 . 10063 1 233 . 1 1 26 26 LEU N N 15 121.199 0.300 . 1 . . . . 26 LEU N . 10063 1 234 . 1 1 27 27 ALA H H 1 8.382 0.030 . 1 . . . . 27 ALA H . 10063 1 235 . 1 1 27 27 ALA HA H 1 4.998 0.030 . 1 . . . . 27 ALA HA . 10063 1 236 . 1 1 27 27 ALA HB1 H 1 1.250 0.030 . 1 . . . . 27 ALA HB . 10063 1 237 . 1 1 27 27 ALA HB2 H 1 1.250 0.030 . 1 . . . . 27 ALA HB . 10063 1 238 . 1 1 27 27 ALA HB3 H 1 1.250 0.030 . 1 . . . . 27 ALA HB . 10063 1 239 . 1 1 27 27 ALA C C 13 174.021 0.300 . 1 . . . . 27 ALA C . 10063 1 240 . 1 1 27 27 ALA CA C 13 48.219 0.300 . 1 . . . . 27 ALA CA . 10063 1 241 . 1 1 27 27 ALA CB C 13 19.970 0.300 . 1 . . . . 27 ALA CB . 10063 1 242 . 1 1 27 27 ALA N N 15 125.946 0.300 . 1 . . . . 27 ALA N . 10063 1 243 . 1 1 28 28 PRO HA H 1 3.649 0.030 . 1 . . . . 28 PRO HA . 10063 1 244 . 1 1 28 28 PRO HB2 H 1 2.084 0.030 . 2 . . . . 28 PRO HB2 . 10063 1 245 . 1 1 28 28 PRO HB3 H 1 1.912 0.030 . 2 . . . . 28 PRO HB3 . 10063 1 246 . 1 1 28 28 PRO HG2 H 1 2.264 0.030 . 2 . . . . 28 PRO HG2 . 10063 1 247 . 1 1 28 28 PRO HG3 H 1 1.661 0.030 . 2 . . . . 28 PRO HG3 . 10063 1 248 . 1 1 28 28 PRO HD2 H 1 3.722 0.030 . 2 . . . . 28 PRO HD2 . 10063 1 249 . 1 1 28 28 PRO HD3 H 1 3.531 0.030 . 2 . . . . 28 PRO HD3 . 10063 1 250 . 1 1 28 28 PRO C C 13 176.711 0.300 . 1 . . . . 28 PRO C . 10063 1 251 . 1 1 28 28 PRO CA C 13 63.875 0.300 . 1 . . . . 28 PRO CA . 10063 1 252 . 1 1 28 28 PRO CB C 13 31.807 0.300 . 1 . . . . 28 PRO CB . 10063 1 253 . 1 1 28 28 PRO CG C 13 28.296 0.300 . 1 . . . . 28 PRO CG . 10063 1 254 . 1 1 28 28 PRO CD C 13 50.718 0.300 . 1 . . . . 28 PRO CD . 10063 1 255 . 1 1 29 29 GLY H H 1 8.708 0.030 . 1 . . . . 29 GLY H . 10063 1 256 . 1 1 29 29 GLY HA2 H 1 4.475 0.030 . 2 . . . . 29 GLY HA2 . 10063 1 257 . 1 1 29 29 GLY HA3 H 1 3.539 0.030 . 2 . . . . 29 GLY HA3 . 10063 1 258 . 1 1 29 29 GLY C C 13 174.821 0.300 . 1 . . . . 29 GLY C . 10063 1 259 . 1 1 29 29 GLY CA C 13 44.912 0.300 . 1 . . . . 29 GLY CA . 10063 1 260 . 1 1 29 29 GLY N N 15 111.711 0.300 . 1 . . . . 29 GLY N . 10063 1 261 . 1 1 30 30 GLN H H 1 7.571 0.030 . 1 . . . . 30 GLN H . 10063 1 262 . 1 1 30 30 GLN HA H 1 4.183 0.030 . 1 . . . . 30 GLN HA . 10063 1 263 . 1 1 30 30 GLN HB2 H 1 2.274 0.030 . 2 . . . . 30 GLN HB2 . 10063 1 264 . 1 1 30 30 GLN HB3 H 1 1.806 0.030 . 2 . . . . 30 GLN HB3 . 10063 1 265 . 1 1 30 30 GLN HG2 H 1 2.524 0.030 . 2 . . . . 30 GLN HG2 . 10063 1 266 . 1 1 30 30 GLN HG3 H 1 2.386 0.030 . 2 . . . . 30 GLN HG3 . 10063 1 267 . 1 1 30 30 GLN HE21 H 1 7.586 0.030 . 2 . . . . 30 GLN HE21 . 10063 1 268 . 1 1 30 30 GLN HE22 H 1 6.666 0.030 . 2 . . . . 30 GLN HE22 . 10063 1 269 . 1 1 30 30 GLN C C 13 174.821 0.300 . 1 . . . . 30 GLN C . 10063 1 270 . 1 1 30 30 GLN CA C 13 57.226 0.300 . 1 . . . . 30 GLN CA . 10063 1 271 . 1 1 30 30 GLN CB C 13 29.504 0.300 . 1 . . . . 30 GLN CB . 10063 1 272 . 1 1 30 30 GLN CG C 13 35.342 0.300 . 1 . . . . 30 GLN CG . 10063 1 273 . 1 1 30 30 GLN N N 15 119.500 0.300 . 1 . . . . 30 GLN N . 10063 1 274 . 1 1 30 30 GLN NE2 N 15 111.545 0.300 . 1 . . . . 30 GLN NE2 . 10063 1 275 . 1 1 31 31 LEU H H 1 8.502 0.030 . 1 . . . . 31 LEU H . 10063 1 276 . 1 1 31 31 LEU HA H 1 5.307 0.030 . 1 . . . . 31 LEU HA . 10063 1 277 . 1 1 31 31 LEU HB2 H 1 1.835 0.030 . 2 . . . . 31 LEU HB2 . 10063 1 278 . 1 1 31 31 LEU HB3 H 1 1.250 0.030 . 2 . . . . 31 LEU HB3 . 10063 1 279 . 1 1 31 31 LEU HG H 1 1.772 0.030 . 1 . . . . 31 LEU HG . 10063 1 280 . 1 1 31 31 LEU HD11 H 1 0.928 0.030 . 1 . . . . 31 LEU HD1 . 10063 1 281 . 1 1 31 31 LEU HD12 H 1 0.928 0.030 . 1 . . . . 31 LEU HD1 . 10063 1 282 . 1 1 31 31 LEU HD13 H 1 0.928 0.030 . 1 . . . . 31 LEU HD1 . 10063 1 283 . 1 1 31 31 LEU HD21 H 1 0.827 0.030 . 1 . . . . 31 LEU HD2 . 10063 1 284 . 1 1 31 31 LEU HD22 H 1 0.827 0.030 . 1 . . . . 31 LEU HD2 . 10063 1 285 . 1 1 31 31 LEU HD23 H 1 0.827 0.030 . 1 . . . . 31 LEU HD2 . 10063 1 286 . 1 1 31 31 LEU C C 13 175.935 0.300 . 1 . . . . 31 LEU C . 10063 1 287 . 1 1 31 31 LEU CA C 13 53.602 0.300 . 1 . . . . 31 LEU CA . 10063 1 288 . 1 1 31 31 LEU CB C 13 43.138 0.300 . 1 . . . . 31 LEU CB . 10063 1 289 . 1 1 31 31 LEU CG C 13 27.164 0.300 . 1 . . . . 31 LEU CG . 10063 1 290 . 1 1 31 31 LEU CD1 C 13 25.311 0.300 . 2 . . . . 31 LEU CD1 . 10063 1 291 . 1 1 31 31 LEU CD2 C 13 23.338 0.300 . 2 . . . . 31 LEU CD2 . 10063 1 292 . 1 1 31 31 LEU N N 15 120.732 0.300 . 1 . . . . 31 LEU N . 10063 1 293 . 1 1 32 32 ILE H H 1 9.171 0.030 . 1 . . . . 32 ILE H . 10063 1 294 . 1 1 32 32 ILE HA H 1 4.532 0.030 . 1 . . . . 32 ILE HA . 10063 1 295 . 1 1 32 32 ILE HB H 1 1.573 0.030 . 1 . . . . 32 ILE HB . 10063 1 296 . 1 1 32 32 ILE HG12 H 1 0.909 0.030 . 1 . . . . 32 ILE HG12 . 10063 1 297 . 1 1 32 32 ILE HG13 H 1 0.909 0.030 . 1 . . . . 32 ILE HG13 . 10063 1 298 . 1 1 32 32 ILE HG21 H 1 0.629 0.030 . 1 . . . . 32 ILE HG2 . 10063 1 299 . 1 1 32 32 ILE HG22 H 1 0.629 0.030 . 1 . . . . 32 ILE HG2 . 10063 1 300 . 1 1 32 32 ILE HG23 H 1 0.629 0.030 . 1 . . . . 32 ILE HG2 . 10063 1 301 . 1 1 32 32 ILE HD11 H 1 0.220 0.030 . 1 . . . . 32 ILE HD1 . 10063 1 302 . 1 1 32 32 ILE HD12 H 1 0.220 0.030 . 1 . . . . 32 ILE HD1 . 10063 1 303 . 1 1 32 32 ILE HD13 H 1 0.220 0.030 . 1 . . . . 32 ILE HD1 . 10063 1 304 . 1 1 32 32 ILE C C 13 174.748 0.300 . 1 . . . . 32 ILE C . 10063 1 305 . 1 1 32 32 ILE CA C 13 58.422 0.300 . 1 . . . . 32 ILE CA . 10063 1 306 . 1 1 32 32 ILE CB C 13 41.405 0.300 . 1 . . . . 32 ILE CB . 10063 1 307 . 1 1 32 32 ILE CG1 C 13 26.955 0.300 . 1 . . . . 32 ILE CG1 . 10063 1 308 . 1 1 32 32 ILE CG2 C 13 17.829 0.300 . 1 . . . . 32 ILE CG2 . 10063 1 309 . 1 1 32 32 ILE CD1 C 13 13.142 0.300 . 1 . . . . 32 ILE CD1 . 10063 1 310 . 1 1 32 32 ILE N N 15 121.150 0.300 . 1 . . . . 32 ILE N . 10063 1 311 . 1 1 33 33 LEU H H 1 8.730 0.030 . 1 . . . . 33 LEU H . 10063 1 312 . 1 1 33 33 LEU HA H 1 4.794 0.030 . 1 . . . . 33 LEU HA . 10063 1 313 . 1 1 33 33 LEU HB2 H 1 1.838 0.030 . 2 . . . . 33 LEU HB2 . 10063 1 314 . 1 1 33 33 LEU HB3 H 1 1.435 0.030 . 2 . . . . 33 LEU HB3 . 10063 1 315 . 1 1 33 33 LEU HG H 1 1.377 0.030 . 1 . . . . 33 LEU HG . 10063 1 316 . 1 1 33 33 LEU HD11 H 1 0.839 0.030 . 1 . . . . 33 LEU HD1 . 10063 1 317 . 1 1 33 33 LEU HD12 H 1 0.839 0.030 . 1 . . . . 33 LEU HD1 . 10063 1 318 . 1 1 33 33 LEU HD13 H 1 0.839 0.030 . 1 . . . . 33 LEU HD1 . 10063 1 319 . 1 1 33 33 LEU HD21 H 1 0.846 0.030 . 1 . . . . 33 LEU HD2 . 10063 1 320 . 1 1 33 33 LEU HD22 H 1 0.846 0.030 . 1 . . . . 33 LEU HD2 . 10063 1 321 . 1 1 33 33 LEU HD23 H 1 0.846 0.030 . 1 . . . . 33 LEU HD2 . 10063 1 322 . 1 1 33 33 LEU C C 13 176.129 0.300 . 1 . . . . 33 LEU C . 10063 1 323 . 1 1 33 33 LEU CA C 13 54.235 0.300 . 1 . . . . 33 LEU CA . 10063 1 324 . 1 1 33 33 LEU CB C 13 43.564 0.300 . 1 . . . . 33 LEU CB . 10063 1 325 . 1 1 33 33 LEU CG C 13 27.449 0.300 . 1 . . . . 33 LEU CG . 10063 1 326 . 1 1 33 33 LEU CD1 C 13 25.810 0.300 . 2 . . . . 33 LEU CD1 . 10063 1 327 . 1 1 33 33 LEU CD2 C 13 23.831 0.300 . 2 . . . . 33 LEU CD2 . 10063 1 328 . 1 1 33 33 LEU N N 15 128.054 0.300 . 1 . . . . 33 LEU N . 10063 1 329 . 1 1 34 34 ILE H H 1 9.131 0.030 . 1 . . . . 34 ILE H . 10063 1 330 . 1 1 34 34 ILE HA H 1 4.096 0.030 . 1 . . . . 34 ILE HA . 10063 1 331 . 1 1 34 34 ILE HB H 1 2.025 0.030 . 1 . . . . 34 ILE HB . 10063 1 332 . 1 1 34 34 ILE HG12 H 1 1.650 0.030 . 2 . . . . 34 ILE HG12 . 10063 1 333 . 1 1 34 34 ILE HG13 H 1 1.311 0.030 . 2 . . . . 34 ILE HG13 . 10063 1 334 . 1 1 34 34 ILE HG21 H 1 0.474 0.030 . 1 . . . . 34 ILE HG2 . 10063 1 335 . 1 1 34 34 ILE HG22 H 1 0.474 0.030 . 1 . . . . 34 ILE HG2 . 10063 1 336 . 1 1 34 34 ILE HG23 H 1 0.474 0.030 . 1 . . . . 34 ILE HG2 . 10063 1 337 . 1 1 34 34 ILE HD11 H 1 0.974 0.030 . 1 . . . . 34 ILE HD1 . 10063 1 338 . 1 1 34 34 ILE HD12 H 1 0.974 0.030 . 1 . . . . 34 ILE HD1 . 10063 1 339 . 1 1 34 34 ILE HD13 H 1 0.974 0.030 . 1 . . . . 34 ILE HD1 . 10063 1 340 . 1 1 34 34 ILE C C 13 175.693 0.300 . 1 . . . . 34 ILE C . 10063 1 341 . 1 1 34 34 ILE CA C 13 60.357 0.300 . 1 . . . . 34 ILE CA . 10063 1 342 . 1 1 34 34 ILE CB C 13 35.342 0.300 . 1 . . . . 34 ILE CB . 10063 1 343 . 1 1 34 34 ILE CG1 C 13 26.621 0.300 . 1 . . . . 34 ILE CG1 . 10063 1 344 . 1 1 34 34 ILE CG2 C 13 18.055 0.300 . 1 . . . . 34 ILE CG2 . 10063 1 345 . 1 1 34 34 ILE CD1 C 13 11.493 0.300 . 1 . . . . 34 ILE CD1 . 10063 1 346 . 1 1 34 34 ILE N N 15 126.921 0.300 . 1 . . . . 34 ILE N . 10063 1 347 . 1 1 35 35 LEU H H 1 9.205 0.030 . 1 . . . . 35 LEU H . 10063 1 348 . 1 1 35 35 LEU HA H 1 4.442 0.030 . 1 . . . . 35 LEU HA . 10063 1 349 . 1 1 35 35 LEU HB2 H 1 1.392 0.030 . 2 . . . . 35 LEU HB2 . 10063 1 350 . 1 1 35 35 LEU HB3 H 1 1.298 0.030 . 2 . . . . 35 LEU HB3 . 10063 1 351 . 1 1 35 35 LEU HG H 1 1.574 0.030 . 1 . . . . 35 LEU HG . 10063 1 352 . 1 1 35 35 LEU HD11 H 1 0.686 0.030 . 1 . . . . 35 LEU HD1 . 10063 1 353 . 1 1 35 35 LEU HD12 H 1 0.686 0.030 . 1 . . . . 35 LEU HD1 . 10063 1 354 . 1 1 35 35 LEU HD13 H 1 0.686 0.030 . 1 . . . . 35 LEU HD1 . 10063 1 355 . 1 1 35 35 LEU HD21 H 1 0.761 0.030 . 1 . . . . 35 LEU HD2 . 10063 1 356 . 1 1 35 35 LEU HD22 H 1 0.761 0.030 . 1 . . . . 35 LEU HD2 . 10063 1 357 . 1 1 35 35 LEU HD23 H 1 0.761 0.030 . 1 . . . . 35 LEU HD2 . 10063 1 358 . 1 1 35 35 LEU C C 13 177.317 0.300 . 1 . . . . 35 LEU C . 10063 1 359 . 1 1 35 35 LEU CA C 13 55.537 0.300 . 1 . . . . 35 LEU CA . 10063 1 360 . 1 1 35 35 LEU CB C 13 43.588 0.300 . 1 . . . . 35 LEU CB . 10063 1 361 . 1 1 35 35 LEU CG C 13 26.955 0.300 . 1 . . . . 35 LEU CG . 10063 1 362 . 1 1 35 35 LEU CD1 C 13 25.607 0.300 . 2 . . . . 35 LEU CD1 . 10063 1 363 . 1 1 35 35 LEU CD2 C 13 22.226 0.300 . 2 . . . . 35 LEU CD2 . 10063 1 364 . 1 1 35 35 LEU N N 15 128.501 0.300 . 1 . . . . 35 LEU N . 10063 1 365 . 1 1 36 36 LYS H H 1 7.567 0.030 . 1 . . . . 36 LYS H . 10063 1 366 . 1 1 36 36 LYS HA H 1 4.425 0.030 . 1 . . . . 36 LYS HA . 10063 1 367 . 1 1 36 36 LYS HB2 H 1 1.714 0.030 . 2 . . . . 36 LYS HB2 . 10063 1 368 . 1 1 36 36 LYS HB3 H 1 1.520 0.030 . 2 . . . . 36 LYS HB3 . 10063 1 369 . 1 1 36 36 LYS HG2 H 1 1.410 0.030 . 2 . . . . 36 LYS HG2 . 10063 1 370 . 1 1 36 36 LYS HG3 H 1 1.341 0.030 . 2 . . . . 36 LYS HG3 . 10063 1 371 . 1 1 36 36 LYS HE2 H 1 3.077 0.030 . 1 . . . . 36 LYS HE2 . 10063 1 372 . 1 1 36 36 LYS HE3 H 1 3.077 0.030 . 1 . . . . 36 LYS HE3 . 10063 1 373 . 1 1 36 36 LYS C C 13 173.997 0.300 . 1 . . . . 36 LYS C . 10063 1 374 . 1 1 36 36 LYS CA C 13 55.924 0.300 . 1 . . . . 36 LYS CA . 10063 1 375 . 1 1 36 36 LYS CB C 13 36.822 0.300 . 1 . . . . 36 LYS CB . 10063 1 376 . 1 1 36 36 LYS CG C 13 25.047 0.300 . 1 . . . . 36 LYS CG . 10063 1 377 . 1 1 36 36 LYS CD C 13 29.340 0.300 . 1 . . . . 36 LYS CD . 10063 1 378 . 1 1 36 36 LYS CE C 13 42.249 0.300 . 1 . . . . 36 LYS CE . 10063 1 379 . 1 1 36 36 LYS N N 15 117.150 0.300 . 1 . . . . 36 LYS N . 10063 1 380 . 1 1 37 37 LYS H H 1 8.428 0.030 . 1 . . . . 37 LYS H . 10063 1 381 . 1 1 37 37 LYS HA H 1 4.318 0.030 . 1 . . . . 37 LYS HA . 10063 1 382 . 1 1 37 37 LYS HB2 H 1 1.305 0.030 . 2 . . . . 37 LYS HB2 . 10063 1 383 . 1 1 37 37 LYS HB3 H 1 1.203 0.030 . 2 . . . . 37 LYS HB3 . 10063 1 384 . 1 1 37 37 LYS HG2 H 1 0.445 0.030 . 2 . . . . 37 LYS HG2 . 10063 1 385 . 1 1 37 37 LYS HG3 H 1 -0.708 0.030 . 2 . . . . 37 LYS HG3 . 10063 1 386 . 1 1 37 37 LYS HD2 H 1 0.972 0.030 . 1 . . . . 37 LYS HD2 . 10063 1 387 . 1 1 37 37 LYS HD3 H 1 0.972 0.030 . 1 . . . . 37 LYS HD3 . 10063 1 388 . 1 1 37 37 LYS HE2 H 1 2.245 0.030 . 2 . . . . 37 LYS HE2 . 10063 1 389 . 1 1 37 37 LYS HE3 H 1 1.758 0.030 . 2 . . . . 37 LYS HE3 . 10063 1 390 . 1 1 37 37 LYS C C 13 175.402 0.300 . 1 . . . . 37 LYS C . 10063 1 391 . 1 1 37 37 LYS CA C 13 55.256 0.300 . 1 . . . . 37 LYS CA . 10063 1 392 . 1 1 37 37 LYS CB C 13 34.849 0.300 . 1 . . . . 37 LYS CB . 10063 1 393 . 1 1 37 37 LYS CG C 13 23.749 0.300 . 1 . . . . 37 LYS CG . 10063 1 394 . 1 1 37 37 LYS CD C 13 29.669 0.300 . 1 . . . . 37 LYS CD . 10063 1 395 . 1 1 37 37 LYS CE C 13 41.509 0.300 . 1 . . . . 37 LYS CE . 10063 1 396 . 1 1 37 37 LYS N N 15 121.772 0.300 . 1 . . . . 37 LYS N . 10063 1 397 . 1 1 38 38 ASN H H 1 8.065 0.030 . 1 . . . . 38 ASN H . 10063 1 398 . 1 1 38 38 ASN HA H 1 5.331 0.030 . 1 . . . . 38 ASN HA . 10063 1 399 . 1 1 38 38 ASN HB2 H 1 3.427 0.030 . 2 . . . . 38 ASN HB2 . 10063 1 400 . 1 1 38 38 ASN HB3 H 1 3.336 0.030 . 2 . . . . 38 ASN HB3 . 10063 1 401 . 1 1 38 38 ASN HD21 H 1 7.433 0.030 . 2 . . . . 38 ASN HD21 . 10063 1 402 . 1 1 38 38 ASN HD22 H 1 6.777 0.030 . 2 . . . . 38 ASN HD22 . 10063 1 403 . 1 1 38 38 ASN C C 13 177.365 0.300 . 1 . . . . 38 ASN C . 10063 1 404 . 1 1 38 38 ASN CA C 13 52.300 0.300 . 1 . . . . 38 ASN CA . 10063 1 405 . 1 1 38 38 ASN CB C 13 40.359 0.300 . 1 . . . . 38 ASN CB . 10063 1 406 . 1 1 38 38 ASN N N 15 120.910 0.300 . 1 . . . . 38 ASN N . 10063 1 407 . 1 1 38 38 ASN ND2 N 15 112.120 0.300 . 1 . . . . 38 ASN ND2 . 10063 1 408 . 1 1 39 39 THR H H 1 8.760 0.030 . 1 . . . . 39 THR H . 10063 1 409 . 1 1 39 39 THR HA H 1 4.355 0.030 . 1 . . . . 39 THR HA . 10063 1 410 . 1 1 39 39 THR HB H 1 4.551 0.030 . 1 . . . . 39 THR HB . 10063 1 411 . 1 1 39 39 THR HG21 H 1 1.395 0.030 . 1 . . . . 39 THR HG2 . 10063 1 412 . 1 1 39 39 THR HG22 H 1 1.395 0.030 . 1 . . . . 39 THR HG2 . 10063 1 413 . 1 1 39 39 THR HG23 H 1 1.395 0.030 . 1 . . . . 39 THR HG2 . 10063 1 414 . 1 1 39 39 THR C C 13 175.427 0.300 . 1 . . . . 39 THR C . 10063 1 415 . 1 1 39 39 THR CA C 13 64.051 0.300 . 1 . . . . 39 THR CA . 10063 1 416 . 1 1 39 39 THR CB C 13 68.889 0.300 . 1 . . . . 39 THR CB . 10063 1 417 . 1 1 39 39 THR CG2 C 13 22.050 0.300 . 1 . . . . 39 THR CG2 . 10063 1 418 . 1 1 40 40 SER H H 1 8.606 0.030 . 1 . . . . 40 SER H . 10063 1 419 . 1 1 40 40 SER HA H 1 4.524 0.030 . 1 . . . . 40 SER HA . 10063 1 420 . 1 1 40 40 SER HB2 H 1 4.160 0.030 . 2 . . . . 40 SER HB2 . 10063 1 421 . 1 1 40 40 SER HB3 H 1 4.049 0.030 . 2 . . . . 40 SER HB3 . 10063 1 422 . 1 1 40 40 SER C C 13 175.378 0.300 . 1 . . . . 40 SER C . 10063 1 423 . 1 1 40 40 SER CA C 13 58.879 0.300 . 1 . . . . 40 SER CA . 10063 1 424 . 1 1 40 40 SER CB C 13 64.038 0.300 . 1 . . . . 40 SER CB . 10063 1 425 . 1 1 40 40 SER N N 15 117.025 0.300 . 1 . . . . 40 SER N . 10063 1 426 . 1 1 41 41 GLY H H 1 8.195 0.030 . 1 . . . . 41 GLY H . 10063 1 427 . 1 1 41 41 GLY HA2 H 1 4.303 0.030 . 2 . . . . 41 GLY HA2 . 10063 1 428 . 1 1 41 41 GLY HA3 H 1 3.662 0.030 . 2 . . . . 41 GLY HA3 . 10063 1 429 . 1 1 41 41 GLY C C 13 173.246 0.300 . 1 . . . . 41 GLY C . 10063 1 430 . 1 1 41 41 GLY CA C 13 45.334 0.300 . 1 . . . . 41 GLY CA . 10063 1 431 . 1 1 41 41 GLY N N 15 108.001 0.300 . 1 . . . . 41 GLY N . 10063 1 432 . 1 1 42 42 TRP H H 1 7.915 0.030 . 1 . . . . 42 TRP H . 10063 1 433 . 1 1 42 42 TRP HA H 1 4.898 0.030 . 1 . . . . 42 TRP HA . 10063 1 434 . 1 1 42 42 TRP HB2 H 1 3.214 0.030 . 2 . . . . 42 TRP HB2 . 10063 1 435 . 1 1 42 42 TRP HB3 H 1 2.922 0.030 . 2 . . . . 42 TRP HB3 . 10063 1 436 . 1 1 42 42 TRP HD1 H 1 6.993 0.030 . 1 . . . . 42 TRP HD1 . 10063 1 437 . 1 1 42 42 TRP HE1 H 1 10.072 0.030 . 1 . . . . 42 TRP HE1 . 10063 1 438 . 1 1 42 42 TRP HE3 H 1 7.329 0.030 . 1 . . . . 42 TRP HE3 . 10063 1 439 . 1 1 42 42 TRP HZ2 H 1 7.475 0.030 . 1 . . . . 42 TRP HZ2 . 10063 1 440 . 1 1 42 42 TRP HH2 H 1 7.326 0.030 . 1 . . . . 42 TRP HH2 . 10063 1 441 . 1 1 42 42 TRP C C 13 174.070 0.300 . 1 . . . . 42 TRP C . 10063 1 442 . 1 1 42 42 TRP CA C 13 56.944 0.300 . 1 . . . . 42 TRP CA . 10063 1 443 . 1 1 42 42 TRP CB C 13 29.998 0.300 . 1 . . . . 42 TRP CB . 10063 1 444 . 1 1 42 42 TRP CD1 C 13 126.853 0.300 . 1 . . . . 42 TRP CD1 . 10063 1 445 . 1 1 42 42 TRP CE3 C 13 119.493 0.300 . 1 . . . . 42 TRP CE3 . 10063 1 446 . 1 1 42 42 TRP CZ2 C 13 114.772 0.300 . 1 . . . . 42 TRP CZ2 . 10063 1 447 . 1 1 42 42 TRP CZ3 C 13 120.539 0.300 . 1 . . . . 42 TRP CZ3 . 10063 1 448 . 1 1 42 42 TRP CH2 C 13 124.692 0.300 . 1 . . . . 42 TRP CH2 . 10063 1 449 . 1 1 42 42 TRP N N 15 122.786 0.300 . 1 . . . . 42 TRP N . 10063 1 450 . 1 1 42 42 TRP NE1 N 15 129.903 0.300 . 1 . . . . 42 TRP NE1 . 10063 1 451 . 1 1 43 43 TRP H H 1 8.931 0.030 . 1 . . . . 43 TRP H . 10063 1 452 . 1 1 43 43 TRP HA H 1 5.461 0.030 . 1 . . . . 43 TRP HA . 10063 1 453 . 1 1 43 43 TRP HB2 H 1 2.912 0.030 . 2 . . . . 43 TRP HB2 . 10063 1 454 . 1 1 43 43 TRP HB3 H 1 2.357 0.030 . 2 . . . . 43 TRP HB3 . 10063 1 455 . 1 1 43 43 TRP HD1 H 1 7.225 0.030 . 1 . . . . 43 TRP HD1 . 10063 1 456 . 1 1 43 43 TRP HE1 H 1 10.266 0.030 . 1 . . . . 43 TRP HE1 . 10063 1 457 . 1 1 43 43 TRP HE3 H 1 7.367 0.030 . 1 . . . . 43 TRP HE3 . 10063 1 458 . 1 1 43 43 TRP HZ2 H 1 7.471 0.030 . 1 . . . . 43 TRP HZ2 . 10063 1 459 . 1 1 43 43 TRP HH2 H 1 7.199 0.030 . 1 . . . . 43 TRP HH2 . 10063 1 460 . 1 1 43 43 TRP C C 13 172.398 0.300 . 1 . . . . 43 TRP C . 10063 1 461 . 1 1 43 43 TRP CA C 13 52.723 0.300 . 1 . . . . 43 TRP CA . 10063 1 462 . 1 1 43 43 TRP CB C 13 33.615 0.300 . 1 . . . . 43 TRP CB . 10063 1 463 . 1 1 43 43 TRP CD1 C 13 122.330 0.300 . 1 . . . . 43 TRP CD1 . 10063 1 464 . 1 1 43 43 TRP CE3 C 13 119.923 0.300 . 1 . . . . 43 TRP CE3 . 10063 1 465 . 1 1 43 43 TRP CZ2 C 13 114.772 0.300 . 1 . . . . 43 TRP CZ2 . 10063 1 466 . 1 1 43 43 TRP CZ3 C 13 121.231 0.300 . 1 . . . . 43 TRP CZ3 . 10063 1 467 . 1 1 43 43 TRP CH2 C 13 124.615 0.300 . 1 . . . . 43 TRP CH2 . 10063 1 468 . 1 1 43 43 TRP N N 15 124.742 0.300 . 1 . . . . 43 TRP N . 10063 1 469 . 1 1 43 43 TRP NE1 N 15 127.741 0.300 . 1 . . . . 43 TRP NE1 . 10063 1 470 . 1 1 44 44 GLN H H 1 8.658 0.030 . 1 . . . . 44 GLN H . 10063 1 471 . 1 1 44 44 GLN HA H 1 4.427 0.030 . 1 . . . . 44 GLN HA . 10063 1 472 . 1 1 44 44 GLN HB2 H 1 1.306 0.030 . 2 . . . . 44 GLN HB2 . 10063 1 473 . 1 1 44 44 GLN HB3 H 1 -0.942 0.030 . 2 . . . . 44 GLN HB3 . 10063 1 474 . 1 1 44 44 GLN HG2 H 1 1.377 0.030 . 2 . . . . 44 GLN HG2 . 10063 1 475 . 1 1 44 44 GLN HG3 H 1 0.659 0.030 . 2 . . . . 44 GLN HG3 . 10063 1 476 . 1 1 44 44 GLN HE21 H 1 6.691 0.030 . 2 . . . . 44 GLN HE21 . 10063 1 477 . 1 1 44 44 GLN HE22 H 1 6.606 0.030 . 2 . . . . 44 GLN HE22 . 10063 1 478 . 1 1 44 44 GLN C C 13 176.517 0.300 . 1 . . . . 44 GLN C . 10063 1 479 . 1 1 44 44 GLN CA C 13 52.758 0.300 . 1 . . . . 44 GLN CA . 10063 1 480 . 1 1 44 44 GLN CB C 13 30.034 0.300 . 1 . . . . 44 GLN CB . 10063 1 481 . 1 1 44 44 GLN CG C 13 33.698 0.300 . 1 . . . . 44 GLN CG . 10063 1 482 . 1 1 44 44 GLN N N 15 120.811 0.300 . 1 . . . . 44 GLN N . 10063 1 483 . 1 1 44 44 GLN NE2 N 15 108.632 0.300 . 1 . . . . 44 GLN NE2 . 10063 1 484 . 1 1 45 45 GLY H H 1 9.003 0.030 . 1 . . . . 45 GLY H . 10063 1 485 . 1 1 45 45 GLY HA2 H 1 5.149 0.030 . 2 . . . . 45 GLY HA2 . 10063 1 486 . 1 1 45 45 GLY HA3 H 1 3.821 0.030 . 2 . . . . 45 GLY HA3 . 10063 1 487 . 1 1 45 45 GLY C C 13 169.660 0.300 . 1 . . . . 45 GLY C . 10063 1 488 . 1 1 45 45 GLY CA C 13 45.721 0.300 . 1 . . . . 45 GLY CA . 10063 1 489 . 1 1 45 45 GLY N N 15 113.923 0.300 . 1 . . . . 45 GLY N . 10063 1 490 . 1 1 46 46 GLU H H 1 9.006 0.030 . 1 . . . . 46 GLU H . 10063 1 491 . 1 1 46 46 GLU HA H 1 5.315 0.030 . 1 . . . . 46 GLU HA . 10063 1 492 . 1 1 46 46 GLU HB2 H 1 1.985 0.030 . 2 . . . . 46 GLU HB2 . 10063 1 493 . 1 1 46 46 GLU HB3 H 1 1.890 0.030 . 2 . . . . 46 GLU HB3 . 10063 1 494 . 1 1 46 46 GLU HG2 H 1 2.067 0.030 . 2 . . . . 46 GLU HG2 . 10063 1 495 . 1 1 46 46 GLU HG3 H 1 2.010 0.030 . 2 . . . . 46 GLU HG3 . 10063 1 496 . 1 1 46 46 GLU C C 13 175.863 0.300 . 1 . . . . 46 GLU C . 10063 1 497 . 1 1 46 46 GLU CA C 13 54.024 0.300 . 1 . . . . 46 GLU CA . 10063 1 498 . 1 1 46 46 GLU CB C 13 34.454 0.300 . 1 . . . . 46 GLU CB . 10063 1 499 . 1 1 46 46 GLU CG C 13 37.151 0.300 . 1 . . . . 46 GLU CG . 10063 1 500 . 1 1 46 46 GLU N N 15 118.105 0.300 . 1 . . . . 46 GLU N . 10063 1 501 . 1 1 47 47 LEU H H 1 8.873 0.030 . 1 . . . . 47 LEU H . 10063 1 502 . 1 1 47 47 LEU HA H 1 4.389 0.030 . 1 . . . . 47 LEU HA . 10063 1 503 . 1 1 47 47 LEU HB2 H 1 1.830 0.030 . 2 . . . . 47 LEU HB2 . 10063 1 504 . 1 1 47 47 LEU HB3 H 1 1.559 0.030 . 2 . . . . 47 LEU HB3 . 10063 1 505 . 1 1 47 47 LEU HG H 1 1.549 0.030 . 1 . . . . 47 LEU HG . 10063 1 506 . 1 1 47 47 LEU HD11 H 1 0.889 0.030 . 1 . . . . 47 LEU HD1 . 10063 1 507 . 1 1 47 47 LEU HD12 H 1 0.889 0.030 . 1 . . . . 47 LEU HD1 . 10063 1 508 . 1 1 47 47 LEU HD13 H 1 0.889 0.030 . 1 . . . . 47 LEU HD1 . 10063 1 509 . 1 1 47 47 LEU HD21 H 1 0.929 0.030 . 1 . . . . 47 LEU HD2 . 10063 1 510 . 1 1 47 47 LEU HD22 H 1 0.929 0.030 . 1 . . . . 47 LEU HD2 . 10063 1 511 . 1 1 47 47 LEU HD23 H 1 0.929 0.030 . 1 . . . . 47 LEU HD2 . 10063 1 512 . 1 1 47 47 LEU C C 13 176.420 0.300 . 1 . . . . 47 LEU C . 10063 1 513 . 1 1 47 47 LEU CA C 13 55.678 0.300 . 1 . . . . 47 LEU CA . 10063 1 514 . 1 1 47 47 LEU CB C 13 43.811 0.300 . 1 . . . . 47 LEU CB . 10063 1 515 . 1 1 47 47 LEU CG C 13 27.389 0.300 . 1 . . . . 47 LEU CG . 10063 1 516 . 1 1 47 47 LEU CD1 C 13 25.238 0.300 . 2 . . . . 47 LEU CD1 . 10063 1 517 . 1 1 47 47 LEU CD2 C 13 24.361 0.300 . 2 . . . . 47 LEU CD2 . 10063 1 518 . 1 1 47 47 LEU N N 15 129.028 0.300 . 1 . . . . 47 LEU N . 10063 1 519 . 1 1 48 48 GLN H H 1 8.770 0.030 . 1 . . . . 48 GLN H . 10063 1 520 . 1 1 48 48 GLN HA H 1 4.472 0.030 . 1 . . . . 48 GLN HA . 10063 1 521 . 1 1 48 48 GLN HB2 H 1 2.073 0.030 . 2 . . . . 48 GLN HB2 . 10063 1 522 . 1 1 48 48 GLN HB3 H 1 1.967 0.030 . 2 . . . . 48 GLN HB3 . 10063 1 523 . 1 1 48 48 GLN HG2 H 1 2.229 0.030 . 1 . . . . 48 GLN HG2 . 10063 1 524 . 1 1 48 48 GLN HG3 H 1 2.229 0.030 . 1 . . . . 48 GLN HG3 . 10063 1 525 . 1 1 48 48 GLN HE21 H 1 7.183 0.030 . 2 . . . . 48 GLN HE21 . 10063 1 526 . 1 1 48 48 GLN HE22 H 1 7.127 0.030 . 2 . . . . 48 GLN HE22 . 10063 1 527 . 1 1 48 48 GLN C C 13 174.554 0.300 . 1 . . . . 48 GLN C . 10063 1 528 . 1 1 48 48 GLN CA C 13 55.115 0.300 . 1 . . . . 48 GLN CA . 10063 1 529 . 1 1 48 48 GLN CB C 13 28.722 0.300 . 1 . . . . 48 GLN CB . 10063 1 530 . 1 1 48 48 GLN CG C 13 34.168 0.300 . 1 . . . . 48 GLN CG . 10063 1 531 . 1 1 48 48 GLN N N 15 125.229 0.300 . 1 . . . . 48 GLN N . 10063 1 532 . 1 1 48 48 GLN NE2 N 15 113.796 0.300 . 1 . . . . 48 GLN NE2 . 10063 1 533 . 1 1 49 49 ALA H H 1 8.008 0.030 . 1 . . . . 49 ALA H . 10063 1 534 . 1 1 49 49 ALA HA H 1 4.537 0.030 . 1 . . . . 49 ALA HA . 10063 1 535 . 1 1 49 49 ALA HB1 H 1 1.354 0.030 . 1 . . . . 49 ALA HB . 10063 1 536 . 1 1 49 49 ALA HB2 H 1 1.354 0.030 . 1 . . . . 49 ALA HB . 10063 1 537 . 1 1 49 49 ALA HB3 H 1 1.354 0.030 . 1 . . . . 49 ALA HB . 10063 1 538 . 1 1 49 49 ALA C C 13 176.541 0.300 . 1 . . . . 49 ALA C . 10063 1 539 . 1 1 49 49 ALA CA C 13 51.456 0.300 . 1 . . . . 49 ALA CA . 10063 1 540 . 1 1 49 49 ALA CB C 13 20.706 0.300 . 1 . . . . 49 ALA CB . 10063 1 541 . 1 1 49 49 ALA N N 15 126.901 0.300 . 1 . . . . 49 ALA N . 10063 1 542 . 1 1 50 50 ARG H H 1 8.525 0.030 . 1 . . . . 50 ARG H . 10063 1 543 . 1 1 50 50 ARG HA H 1 4.289 0.030 . 1 . . . . 50 ARG HA . 10063 1 544 . 1 1 50 50 ARG HB2 H 1 1.837 0.030 . 1 . . . . 50 ARG HB2 . 10063 1 545 . 1 1 50 50 ARG HB3 H 1 1.837 0.030 . 1 . . . . 50 ARG HB3 . 10063 1 546 . 1 1 50 50 ARG HG2 H 1 1.718 0.030 . 1 . . . . 50 ARG HG2 . 10063 1 547 . 1 1 50 50 ARG HG3 H 1 1.718 0.030 . 1 . . . . 50 ARG HG3 . 10063 1 548 . 1 1 50 50 ARG HD2 H 1 3.260 0.030 . 1 . . . . 50 ARG HD2 . 10063 1 549 . 1 1 50 50 ARG HD3 H 1 3.260 0.030 . 1 . . . . 50 ARG HD3 . 10063 1 550 . 1 1 50 50 ARG C C 13 177.413 0.300 . 1 . . . . 50 ARG C . 10063 1 551 . 1 1 50 50 ARG CA C 13 56.909 0.300 . 1 . . . . 50 ARG CA . 10063 1 552 . 1 1 50 50 ARG CB C 13 30.409 0.300 . 1 . . . . 50 ARG CB . 10063 1 553 . 1 1 50 50 ARG CG C 13 27.038 0.300 . 1 . . . . 50 ARG CG . 10063 1 554 . 1 1 50 50 ARG CD C 13 43.318 0.300 . 1 . . . . 50 ARG CD . 10063 1 555 . 1 1 50 50 ARG N N 15 121.345 0.300 . 1 . . . . 50 ARG N . 10063 1 556 . 1 1 51 51 GLY H H 1 8.664 0.030 . 1 . . . . 51 GLY H . 10063 1 557 . 1 1 51 51 GLY HA2 H 1 4.122 0.030 . 2 . . . . 51 GLY HA2 . 10063 1 558 . 1 1 51 51 GLY HA3 H 1 3.885 0.030 . 2 . . . . 51 GLY HA3 . 10063 1 559 . 1 1 51 51 GLY C C 13 174.191 0.300 . 1 . . . . 51 GLY C . 10063 1 560 . 1 1 51 51 GLY CA C 13 45.475 0.300 . 1 . . . . 51 GLY CA . 10063 1 561 . 1 1 51 51 GLY N N 15 111.511 0.300 . 1 . . . . 51 GLY N . 10063 1 562 . 1 1 52 52 LYS H H 1 8.119 0.030 . 1 . . . . 52 LYS H . 10063 1 563 . 1 1 52 52 LYS HA H 1 4.413 0.030 . 1 . . . . 52 LYS HA . 10063 1 564 . 1 1 52 52 LYS HB2 H 1 1.931 0.030 . 2 . . . . 52 LYS HB2 . 10063 1 565 . 1 1 52 52 LYS HB3 H 1 1.774 0.030 . 2 . . . . 52 LYS HB3 . 10063 1 566 . 1 1 52 52 LYS HG2 H 1 1.425 0.030 . 1 . . . . 52 LYS HG2 . 10063 1 567 . 1 1 52 52 LYS HG3 H 1 1.425 0.030 . 1 . . . . 52 LYS HG3 . 10063 1 568 . 1 1 52 52 LYS HD2 H 1 1.717 0.030 . 1 . . . . 52 LYS HD2 . 10063 1 569 . 1 1 52 52 LYS HD3 H 1 1.717 0.030 . 1 . . . . 52 LYS HD3 . 10063 1 570 . 1 1 52 52 LYS HE2 H 1 3.029 0.030 . 1 . . . . 52 LYS HE2 . 10063 1 571 . 1 1 52 52 LYS HE3 H 1 3.029 0.030 . 1 . . . . 52 LYS HE3 . 10063 1 572 . 1 1 52 52 LYS C C 13 176.614 0.300 . 1 . . . . 52 LYS C . 10063 1 573 . 1 1 52 52 LYS CA C 13 55.959 0.300 . 1 . . . . 52 LYS CA . 10063 1 574 . 1 1 52 52 LYS CB C 13 33.560 0.300 . 1 . . . . 52 LYS CB . 10063 1 575 . 1 1 52 52 LYS CG C 13 24.818 0.300 . 1 . . . . 52 LYS CG . 10063 1 576 . 1 1 52 52 LYS CD C 13 28.847 0.300 . 1 . . . . 52 LYS CD . 10063 1 577 . 1 1 52 52 LYS CE C 13 42.249 0.300 . 1 . . . . 52 LYS CE . 10063 1 578 . 1 1 52 52 LYS N N 15 119.481 0.300 . 1 . . . . 52 LYS N . 10063 1 579 . 1 1 53 53 LYS H H 1 8.085 0.030 . 1 . . . . 53 LYS H . 10063 1 580 . 1 1 53 53 LYS HA H 1 4.319 0.030 . 1 . . . . 53 LYS HA . 10063 1 581 . 1 1 53 53 LYS HB2 H 1 1.808 0.030 . 1 . . . . 53 LYS HB2 . 10063 1 582 . 1 1 53 53 LYS HB3 H 1 1.808 0.030 . 1 . . . . 53 LYS HB3 . 10063 1 583 . 1 1 53 53 LYS HG2 H 1 1.478 0.030 . 2 . . . . 53 LYS HG2 . 10063 1 584 . 1 1 53 53 LYS HG3 H 1 1.424 0.030 . 2 . . . . 53 LYS HG3 . 10063 1 585 . 1 1 53 53 LYS HE2 H 1 3.042 0.030 . 1 . . . . 53 LYS HE2 . 10063 1 586 . 1 1 53 53 LYS HE3 H 1 3.042 0.030 . 1 . . . . 53 LYS HE3 . 10063 1 587 . 1 1 53 53 LYS C C 13 176.469 0.300 . 1 . . . . 53 LYS C . 10063 1 588 . 1 1 53 53 LYS CA C 13 56.241 0.300 . 1 . . . . 53 LYS CA . 10063 1 589 . 1 1 53 53 LYS CB C 13 32.958 0.300 . 1 . . . . 53 LYS CB . 10063 1 590 . 1 1 53 53 LYS CG C 13 24.900 0.300 . 1 . . . . 53 LYS CG . 10063 1 591 . 1 1 53 53 LYS CD C 13 29.175 0.300 . 1 . . . . 53 LYS CD . 10063 1 592 . 1 1 53 53 LYS CE C 13 42.167 0.300 . 1 . . . . 53 LYS CE . 10063 1 593 . 1 1 53 53 LYS N N 15 120.054 0.300 . 1 . . . . 53 LYS N . 10063 1 594 . 1 1 54 54 ARG H H 1 8.491 0.030 . 1 . . . . 54 ARG H . 10063 1 595 . 1 1 54 54 ARG HA H 1 4.431 0.030 . 1 . . . . 54 ARG HA . 10063 1 596 . 1 1 54 54 ARG HB2 H 1 1.798 0.030 . 1 . . . . 54 ARG HB2 . 10063 1 597 . 1 1 54 54 ARG HB3 H 1 1.798 0.030 . 1 . . . . 54 ARG HB3 . 10063 1 598 . 1 1 54 54 ARG HG2 H 1 1.727 0.030 . 2 . . . . 54 ARG HG2 . 10063 1 599 . 1 1 54 54 ARG HG3 H 1 1.599 0.030 . 2 . . . . 54 ARG HG3 . 10063 1 600 . 1 1 54 54 ARG HD2 H 1 3.254 0.030 . 2 . . . . 54 ARG HD2 . 10063 1 601 . 1 1 54 54 ARG HD3 H 1 3.191 0.030 . 2 . . . . 54 ARG HD3 . 10063 1 602 . 1 1 54 54 ARG C C 13 175.960 0.300 . 1 . . . . 54 ARG C . 10063 1 603 . 1 1 54 54 ARG CA C 13 56.241 0.300 . 1 . . . . 54 ARG CA . 10063 1 604 . 1 1 54 54 ARG CB C 13 30.655 0.300 . 1 . . . . 54 ARG CB . 10063 1 605 . 1 1 54 54 ARG CG C 13 27.202 0.300 . 1 . . . . 54 ARG CG . 10063 1 606 . 1 1 54 54 ARG CD C 13 43.482 0.300 . 1 . . . . 54 ARG CD . 10063 1 607 . 1 1 54 54 ARG N N 15 123.817 0.300 . 1 . . . . 54 ARG N . 10063 1 608 . 1 1 55 55 GLN H H 1 8.472 0.030 . 1 . . . . 55 GLN H . 10063 1 609 . 1 1 55 55 GLN HA H 1 4.576 0.030 . 1 . . . . 55 GLN HA . 10063 1 610 . 1 1 55 55 GLN HB2 H 1 2.070 0.030 . 2 . . . . 55 GLN HB2 . 10063 1 611 . 1 1 55 55 GLN HB3 H 1 1.946 0.030 . 2 . . . . 55 GLN HB3 . 10063 1 612 . 1 1 55 55 GLN HG2 H 1 2.413 0.030 . 2 . . . . 55 GLN HG2 . 10063 1 613 . 1 1 55 55 GLN HG3 H 1 2.355 0.030 . 2 . . . . 55 GLN HG3 . 10063 1 614 . 1 1 55 55 GLN HE21 H 1 7.599 0.030 . 2 . . . . 55 GLN HE21 . 10063 1 615 . 1 1 55 55 GLN HE22 H 1 6.905 0.030 . 2 . . . . 55 GLN HE22 . 10063 1 616 . 1 1 55 55 GLN C C 13 173.610 0.300 . 1 . . . . 55 GLN C . 10063 1 617 . 1 1 55 55 GLN CA C 13 55.432 0.300 . 1 . . . . 55 GLN CA . 10063 1 618 . 1 1 55 55 GLN CB C 13 31.588 0.300 . 1 . . . . 55 GLN CB . 10063 1 619 . 1 1 55 55 GLN CG C 13 33.931 0.300 . 1 . . . . 55 GLN CG . 10063 1 620 . 1 1 55 55 GLN N N 15 124.001 0.300 . 1 . . . . 55 GLN N . 10063 1 621 . 1 1 55 55 GLN NE2 N 15 111.968 0.300 . 1 . . . . 55 GLN NE2 . 10063 1 622 . 1 1 56 56 LYS H H 1 8.574 0.030 . 1 . . . . 56 LYS H . 10063 1 623 . 1 1 56 56 LYS HA H 1 5.681 0.030 . 1 . . . . 56 LYS HA . 10063 1 624 . 1 1 56 56 LYS HB2 H 1 1.687 0.030 . 1 . . . . 56 LYS HB2 . 10063 1 625 . 1 1 56 56 LYS HB3 H 1 1.687 0.030 . 1 . . . . 56 LYS HB3 . 10063 1 626 . 1 1 56 56 LYS HG2 H 1 1.303 0.030 . 2 . . . . 56 LYS HG2 . 10063 1 627 . 1 1 56 56 LYS HG3 H 1 1.234 0.030 . 2 . . . . 56 LYS HG3 . 10063 1 628 . 1 1 56 56 LYS HD2 H 1 1.534 0.030 . 1 . . . . 56 LYS HD2 . 10063 1 629 . 1 1 56 56 LYS HD3 H 1 1.534 0.030 . 1 . . . . 56 LYS HD3 . 10063 1 630 . 1 1 56 56 LYS HE2 H 1 2.887 0.030 . 2 . . . . 56 LYS HE2 . 10063 1 631 . 1 1 56 56 LYS HE3 H 1 2.826 0.030 . 2 . . . . 56 LYS HE3 . 10063 1 632 . 1 1 56 56 LYS C C 13 175.984 0.300 . 1 . . . . 56 LYS C . 10063 1 633 . 1 1 56 56 LYS CA C 13 54.165 0.300 . 1 . . . . 56 LYS CA . 10063 1 634 . 1 1 56 56 LYS CB C 13 36.411 0.300 . 1 . . . . 56 LYS CB . 10063 1 635 . 1 1 56 56 LYS CG C 13 24.242 0.300 . 1 . . . . 56 LYS CG . 10063 1 636 . 1 1 56 56 LYS CD C 13 29.669 0.300 . 1 . . . . 56 LYS CD . 10063 1 637 . 1 1 56 56 LYS CE C 13 41.756 0.300 . 1 . . . . 56 LYS CE . 10063 1 638 . 1 1 56 56 LYS N N 15 122.589 0.300 . 1 . . . . 56 LYS N . 10063 1 639 . 1 1 57 57 GLY H H 1 8.693 0.030 . 1 . . . . 57 GLY H . 10063 1 640 . 1 1 57 57 GLY HA2 H 1 4.293 0.030 . 2 . . . . 57 GLY HA2 . 10063 1 641 . 1 1 57 57 GLY HA3 H 1 4.162 0.030 . 2 . . . . 57 GLY HA3 . 10063 1 642 . 1 1 57 57 GLY C C 13 171.163 0.300 . 1 . . . . 57 GLY C . 10063 1 643 . 1 1 57 57 GLY CA C 13 45.757 0.300 . 1 . . . . 57 GLY CA . 10063 1 644 . 1 1 57 57 GLY N N 15 108.232 0.300 . 1 . . . . 57 GLY N . 10063 1 645 . 1 1 58 58 TRP H H 1 9.174 0.030 . 1 . . . . 58 TRP H . 10063 1 646 . 1 1 58 58 TRP HA H 1 5.724 0.030 . 1 . . . . 58 TRP HA . 10063 1 647 . 1 1 58 58 TRP HB2 H 1 3.343 0.030 . 2 . . . . 58 TRP HB2 . 10063 1 648 . 1 1 58 58 TRP HB3 H 1 3.062 0.030 . 2 . . . . 58 TRP HB3 . 10063 1 649 . 1 1 58 58 TRP HD1 H 1 7.628 0.030 . 1 . . . . 58 TRP HD1 . 10063 1 650 . 1 1 58 58 TRP HE1 H 1 10.292 0.030 . 1 . . . . 58 TRP HE1 . 10063 1 651 . 1 1 58 58 TRP HE3 H 1 7.319 0.030 . 1 . . . . 58 TRP HE3 . 10063 1 652 . 1 1 58 58 TRP HZ2 H 1 7.410 0.030 . 1 . . . . 58 TRP HZ2 . 10063 1 653 . 1 1 58 58 TRP HH2 H 1 7.055 0.030 . 1 . . . . 58 TRP HH2 . 10063 1 654 . 1 1 58 58 TRP C C 13 176.905 0.300 . 1 . . . . 58 TRP C . 10063 1 655 . 1 1 58 58 TRP CA C 13 57.120 0.300 . 1 . . . . 58 TRP CA . 10063 1 656 . 1 1 58 58 TRP CB C 13 31.946 0.300 . 1 . . . . 58 TRP CB . 10063 1 657 . 1 1 58 58 TRP CD1 C 13 128.256 0.300 . 1 . . . . 58 TRP CD1 . 10063 1 658 . 1 1 58 58 TRP CE3 C 13 120.754 0.300 . 1 . . . . 58 TRP CE3 . 10063 1 659 . 1 1 58 58 TRP CZ2 C 13 114.772 0.300 . 1 . . . . 58 TRP CZ2 . 10063 1 660 . 1 1 58 58 TRP CZ3 C 13 122.108 0.300 . 1 . . . . 58 TRP CZ3 . 10063 1 661 . 1 1 58 58 TRP CH2 C 13 124.322 0.300 . 1 . . . . 58 TRP CH2 . 10063 1 662 . 1 1 58 58 TRP N N 15 120.811 0.300 . 1 . . . . 58 TRP N . 10063 1 663 . 1 1 58 58 TRP NE1 N 15 130.330 0.300 . 1 . . . . 58 TRP NE1 . 10063 1 664 . 1 1 59 59 PHE H H 1 9.232 0.030 . 1 . . . . 59 PHE H . 10063 1 665 . 1 1 59 59 PHE HA H 1 4.948 0.030 . 1 . . . . 59 PHE HA . 10063 1 666 . 1 1 59 59 PHE HB2 H 1 3.343 0.030 . 2 . . . . 59 PHE HB2 . 10063 1 667 . 1 1 59 59 PHE HB3 H 1 2.508 0.030 . 2 . . . . 59 PHE HB3 . 10063 1 668 . 1 1 59 59 PHE HD1 H 1 6.880 0.030 . 1 . . . . 59 PHE HD1 . 10063 1 669 . 1 1 59 59 PHE HD2 H 1 6.880 0.030 . 1 . . . . 59 PHE HD2 . 10063 1 670 . 1 1 59 59 PHE HE1 H 1 6.850 0.030 . 1 . . . . 59 PHE HE1 . 10063 1 671 . 1 1 59 59 PHE HE2 H 1 6.850 0.030 . 1 . . . . 59 PHE HE2 . 10063 1 672 . 1 1 59 59 PHE HZ H 1 7.023 0.030 . 1 . . . . 59 PHE HZ . 10063 1 673 . 1 1 59 59 PHE C C 13 170.726 0.300 . 1 . . . . 59 PHE C . 10063 1 674 . 1 1 59 59 PHE CA C 13 55.607 0.300 . 1 . . . . 59 PHE CA . 10063 1 675 . 1 1 59 59 PHE CB C 13 38.420 0.300 . 1 . . . . 59 PHE CB . 10063 1 676 . 1 1 59 59 PHE CD1 C 13 134.183 0.300 . 1 . . . . 59 PHE CD1 . 10063 1 677 . 1 1 59 59 PHE CD2 C 13 134.183 0.300 . 1 . . . . 59 PHE CD2 . 10063 1 678 . 1 1 59 59 PHE CE1 C 13 129.838 0.300 . 1 . . . . 59 PHE CE1 . 10063 1 679 . 1 1 59 59 PHE CE2 C 13 129.838 0.300 . 1 . . . . 59 PHE CE2 . 10063 1 680 . 1 1 59 59 PHE CZ C 13 127.772 0.300 . 1 . . . . 59 PHE CZ . 10063 1 681 . 1 1 59 59 PHE N N 15 117.209 0.300 . 1 . . . . 59 PHE N . 10063 1 682 . 1 1 60 60 PRO HA H 1 3.740 0.030 . 1 . . . . 60 PRO HA . 10063 1 683 . 1 1 60 60 PRO HB2 H 1 1.488 0.030 . 2 . . . . 60 PRO HB2 . 10063 1 684 . 1 1 60 60 PRO HB3 H 1 1.311 0.030 . 2 . . . . 60 PRO HB3 . 10063 1 685 . 1 1 60 60 PRO HG2 H 1 1.089 0.030 . 2 . . . . 60 PRO HG2 . 10063 1 686 . 1 1 60 60 PRO HG3 H 1 0.506 0.030 . 2 . . . . 60 PRO HG3 . 10063 1 687 . 1 1 60 60 PRO HD2 H 1 2.300 0.030 . 2 . . . . 60 PRO HD2 . 10063 1 688 . 1 1 60 60 PRO HD3 H 1 2.195 0.030 . 2 . . . . 60 PRO HD3 . 10063 1 689 . 1 1 60 60 PRO C C 13 177.486 0.300 . 1 . . . . 60 PRO C . 10063 1 690 . 1 1 60 60 PRO CA C 13 61.483 0.300 . 1 . . . . 60 PRO CA . 10063 1 691 . 1 1 60 60 PRO CB C 13 30.080 0.300 . 1 . . . . 60 PRO CB . 10063 1 692 . 1 1 60 60 PRO CG C 13 27.367 0.300 . 1 . . . . 60 PRO CG . 10063 1 693 . 1 1 60 60 PRO CD C 13 49.238 0.300 . 1 . . . . 60 PRO CD . 10063 1 694 . 1 1 61 61 ALA H H 1 8.032 0.030 . 1 . . . . 61 ALA H . 10063 1 695 . 1 1 61 61 ALA HA H 1 2.953 0.030 . 1 . . . . 61 ALA HA . 10063 1 696 . 1 1 61 61 ALA HB1 H 1 -0.378 0.030 . 1 . . . . 61 ALA HB . 10063 1 697 . 1 1 61 61 ALA HB2 H 1 -0.378 0.030 . 1 . . . . 61 ALA HB . 10063 1 698 . 1 1 61 61 ALA HB3 H 1 -0.378 0.030 . 1 . . . . 61 ALA HB . 10063 1 699 . 1 1 61 61 ALA C C 13 177.825 0.300 . 1 . . . . 61 ALA C . 10063 1 700 . 1 1 61 61 ALA CA C 13 54.306 0.300 . 1 . . . . 61 ALA CA . 10063 1 701 . 1 1 61 61 ALA CB C 13 15.609 0.300 . 1 . . . . 61 ALA CB . 10063 1 702 . 1 1 61 61 ALA N N 15 129.068 0.300 . 1 . . . . 61 ALA N . 10063 1 703 . 1 1 62 62 SER H H 1 7.831 0.030 . 1 . . . . 62 SER H . 10063 1 704 . 1 1 62 62 SER HA H 1 4.002 0.030 . 1 . . . . 62 SER HA . 10063 1 705 . 1 1 62 62 SER HB2 H 1 3.884 0.030 . 2 . . . . 62 SER HB2 . 10063 1 706 . 1 1 62 62 SER HB3 H 1 3.701 0.030 . 2 . . . . 62 SER HB3 . 10063 1 707 . 1 1 62 62 SER C C 13 175.935 0.300 . 1 . . . . 62 SER C . 10063 1 708 . 1 1 62 62 SER CA C 13 59.548 0.300 . 1 . . . . 62 SER CA . 10063 1 709 . 1 1 62 62 SER CB C 13 62.820 0.300 . 1 . . . . 62 SER CB . 10063 1 710 . 1 1 62 62 SER N N 15 109.288 0.300 . 1 . . . . 62 SER N . 10063 1 711 . 1 1 63 63 HIS H H 1 7.612 0.030 . 1 . . . . 63 HIS H . 10063 1 712 . 1 1 63 63 HIS HA H 1 4.341 0.030 . 1 . . . . 63 HIS HA . 10063 1 713 . 1 1 63 63 HIS HB2 H 1 3.987 0.030 . 2 . . . . 63 HIS HB2 . 10063 1 714 . 1 1 63 63 HIS HB3 H 1 2.696 0.030 . 2 . . . . 63 HIS HB3 . 10063 1 715 . 1 1 63 63 HIS HD2 H 1 7.022 0.030 . 1 . . . . 63 HIS HD2 . 10063 1 716 . 1 1 63 63 HIS HE1 H 1 8.329 0.030 . 1 . . . . 63 HIS HE1 . 10063 1 717 . 1 1 63 63 HIS C C 13 173.803 0.300 . 1 . . . . 63 HIS C . 10063 1 718 . 1 1 63 63 HIS CA C 13 57.085 0.300 . 1 . . . . 63 HIS CA . 10063 1 719 . 1 1 63 63 HIS CB C 13 28.929 0.300 . 1 . . . . 63 HIS CB . 10063 1 720 . 1 1 63 63 HIS CD2 C 13 122.635 0.300 . 1 . . . . 63 HIS CD2 . 10063 1 721 . 1 1 63 63 HIS CE1 C 13 137.836 0.300 . 1 . . . . 63 HIS CE1 . 10063 1 722 . 1 1 63 63 HIS N N 15 118.901 0.300 . 1 . . . . 63 HIS N . 10063 1 723 . 1 1 64 64 VAL H H 1 7.726 0.030 . 1 . . . . 64 VAL H . 10063 1 724 . 1 1 64 64 VAL HA H 1 5.334 0.030 . 1 . . . . 64 VAL HA . 10063 1 725 . 1 1 64 64 VAL HB H 1 1.915 0.030 . 1 . . . . 64 VAL HB . 10063 1 726 . 1 1 64 64 VAL HG11 H 1 0.569 0.030 . 1 . . . . 64 VAL HG1 . 10063 1 727 . 1 1 64 64 VAL HG12 H 1 0.569 0.030 . 1 . . . . 64 VAL HG1 . 10063 1 728 . 1 1 64 64 VAL HG13 H 1 0.569 0.030 . 1 . . . . 64 VAL HG1 . 10063 1 729 . 1 1 64 64 VAL HG21 H 1 0.843 0.030 . 1 . . . . 64 VAL HG2 . 10063 1 730 . 1 1 64 64 VAL HG22 H 1 0.843 0.030 . 1 . . . . 64 VAL HG2 . 10063 1 731 . 1 1 64 64 VAL HG23 H 1 0.843 0.030 . 1 . . . . 64 VAL HG2 . 10063 1 732 . 1 1 64 64 VAL C C 13 173.464 0.300 . 1 . . . . 64 VAL C . 10063 1 733 . 1 1 64 64 VAL CA C 13 58.457 0.300 . 1 . . . . 64 VAL CA . 10063 1 734 . 1 1 64 64 VAL CB C 13 35.671 0.300 . 1 . . . . 64 VAL CB . 10063 1 735 . 1 1 64 64 VAL CG1 C 13 21.918 0.300 . 2 . . . . 64 VAL CG1 . 10063 1 736 . 1 1 64 64 VAL CG2 C 13 19.391 0.300 . 2 . . . . 64 VAL CG2 . 10063 1 737 . 1 1 64 64 VAL N N 15 110.724 0.300 . 1 . . . . 64 VAL N . 10063 1 738 . 1 1 65 65 LYS H H 1 8.909 0.030 . 1 . . . . 65 LYS H . 10063 1 739 . 1 1 65 65 LYS HA H 1 4.815 0.030 . 1 . . . . 65 LYS HA . 10063 1 740 . 1 1 65 65 LYS HB2 H 1 1.750 0.030 . 1 . . . . 65 LYS HB2 . 10063 1 741 . 1 1 65 65 LYS HB3 H 1 1.750 0.030 . 1 . . . . 65 LYS HB3 . 10063 1 742 . 1 1 65 65 LYS HG2 H 1 1.381 0.030 . 1 . . . . 65 LYS HG2 . 10063 1 743 . 1 1 65 65 LYS HG3 H 1 1.381 0.030 . 1 . . . . 65 LYS HG3 . 10063 1 744 . 1 1 65 65 LYS HD2 H 1 1.676 0.030 . 2 . . . . 65 LYS HD2 . 10063 1 745 . 1 1 65 65 LYS HD3 H 1 1.625 0.030 . 2 . . . . 65 LYS HD3 . 10063 1 746 . 1 1 65 65 LYS HE2 H 1 2.921 0.030 . 1 . . . . 65 LYS HE2 . 10063 1 747 . 1 1 65 65 LYS HE3 H 1 2.921 0.030 . 1 . . . . 65 LYS HE3 . 10063 1 748 . 1 1 65 65 LYS C C 13 175.984 0.300 . 1 . . . . 65 LYS C . 10063 1 749 . 1 1 65 65 LYS CA C 13 54.130 0.300 . 1 . . . . 65 LYS CA . 10063 1 750 . 1 1 65 65 LYS CB C 13 35.883 0.300 . 1 . . . . 65 LYS CB . 10063 1 751 . 1 1 65 65 LYS CG C 13 24.324 0.300 . 1 . . . . 65 LYS CG . 10063 1 752 . 1 1 65 65 LYS CD C 13 29.504 0.300 . 1 . . . . 65 LYS CD . 10063 1 753 . 1 1 65 65 LYS CE C 13 42.249 0.300 . 1 . . . . 65 LYS CE . 10063 1 754 . 1 1 65 65 LYS N N 15 119.132 0.300 . 1 . . . . 65 LYS N . 10063 1 755 . 1 1 66 66 LEU H H 1 9.019 0.030 . 1 . . . . 66 LEU H . 10063 1 756 . 1 1 66 66 LEU HA H 1 4.442 0.030 . 1 . . . . 66 LEU HA . 10063 1 757 . 1 1 66 66 LEU HB2 H 1 1.814 0.030 . 2 . . . . 66 LEU HB2 . 10063 1 758 . 1 1 66 66 LEU HB3 H 1 1.694 0.030 . 2 . . . . 66 LEU HB3 . 10063 1 759 . 1 1 66 66 LEU HG H 1 1.921 0.030 . 1 . . . . 66 LEU HG . 10063 1 760 . 1 1 66 66 LEU HD11 H 1 1.036 0.030 . 1 . . . . 66 LEU HD1 . 10063 1 761 . 1 1 66 66 LEU HD12 H 1 1.036 0.030 . 1 . . . . 66 LEU HD1 . 10063 1 762 . 1 1 66 66 LEU HD13 H 1 1.036 0.030 . 1 . . . . 66 LEU HD1 . 10063 1 763 . 1 1 66 66 LEU HD21 H 1 0.945 0.030 . 1 . . . . 66 LEU HD2 . 10063 1 764 . 1 1 66 66 LEU HD22 H 1 0.945 0.030 . 1 . . . . 66 LEU HD2 . 10063 1 765 . 1 1 66 66 LEU HD23 H 1 0.945 0.030 . 1 . . . . 66 LEU HD2 . 10063 1 766 . 1 1 66 66 LEU C C 13 177.389 0.300 . 1 . . . . 66 LEU C . 10063 1 767 . 1 1 66 66 LEU CA C 13 56.030 0.300 . 1 . . . . 66 LEU CA . 10063 1 768 . 1 1 66 66 LEU CB C 13 42.331 0.300 . 1 . . . . 66 LEU CB . 10063 1 769 . 1 1 66 66 LEU CG C 13 27.367 0.300 . 1 . . . . 66 LEU CG . 10063 1 770 . 1 1 66 66 LEU CD1 C 13 25.496 0.300 . 2 . . . . 66 LEU CD1 . 10063 1 771 . 1 1 66 66 LEU CD2 C 13 24.160 0.300 . 2 . . . . 66 LEU CD2 . 10063 1 772 . 1 1 66 66 LEU N N 15 126.434 0.300 . 1 . . . . 66 LEU N . 10063 1 773 . 1 1 67 67 LEU H H 1 8.730 0.030 . 1 . . . . 67 LEU H . 10063 1 774 . 1 1 67 67 LEU HA H 1 4.504 0.030 . 1 . . . . 67 LEU HA . 10063 1 775 . 1 1 67 67 LEU HB2 H 1 1.728 0.030 . 2 . . . . 67 LEU HB2 . 10063 1 776 . 1 1 67 67 LEU HB3 H 1 1.566 0.030 . 2 . . . . 67 LEU HB3 . 10063 1 777 . 1 1 67 67 LEU HG H 1 1.656 0.030 . 1 . . . . 67 LEU HG . 10063 1 778 . 1 1 67 67 LEU HD11 H 1 0.860 0.030 . 1 . . . . 67 LEU HD1 . 10063 1 779 . 1 1 67 67 LEU HD12 H 1 0.860 0.030 . 1 . . . . 67 LEU HD1 . 10063 1 780 . 1 1 67 67 LEU HD13 H 1 0.860 0.030 . 1 . . . . 67 LEU HD1 . 10063 1 781 . 1 1 67 67 LEU HD21 H 1 0.843 0.030 . 1 . . . . 67 LEU HD2 . 10063 1 782 . 1 1 67 67 LEU HD22 H 1 0.843 0.030 . 1 . . . . 67 LEU HD2 . 10063 1 783 . 1 1 67 67 LEU HD23 H 1 0.843 0.030 . 1 . . . . 67 LEU HD2 . 10063 1 784 . 1 1 67 67 LEU C C 13 177.825 0.300 . 1 . . . . 67 LEU C . 10063 1 785 . 1 1 67 67 LEU CA C 13 55.045 0.300 . 1 . . . . 67 LEU CA . 10063 1 786 . 1 1 67 67 LEU CB C 13 42.331 0.300 . 1 . . . . 67 LEU CB . 10063 1 787 . 1 1 67 67 LEU CG C 13 27.202 0.300 . 1 . . . . 67 LEU CG . 10063 1 788 . 1 1 67 67 LEU CD1 C 13 25.579 0.300 . 2 . . . . 67 LEU CD1 . 10063 1 789 . 1 1 67 67 LEU CD2 C 13 22.598 0.300 . 2 . . . . 67 LEU CD2 . 10063 1 790 . 1 1 67 67 LEU N N 15 123.840 0.300 . 1 . . . . 67 LEU N . 10063 1 791 . 1 1 68 68 GLY H H 1 8.259 0.030 . 1 . . . . 68 GLY H . 10063 1 792 . 1 1 68 68 GLY HA2 H 1 4.174 0.030 . 1 . . . . 68 GLY HA2 . 10063 1 793 . 1 1 68 68 GLY HA3 H 1 4.174 0.030 . 1 . . . . 68 GLY HA3 . 10063 1 794 . 1 1 68 68 GLY C C 13 171.792 0.300 . 1 . . . . 68 GLY C . 10063 1 795 . 1 1 68 68 GLY CA C 13 44.560 0.300 . 1 . . . . 68 GLY CA . 10063 1 796 . 1 1 68 68 GLY N N 15 108.747 0.300 . 1 . . . . 68 GLY N . 10063 1 797 . 1 1 69 69 PRO HA H 1 4.535 0.030 . 1 . . . . 69 PRO HA . 10063 1 798 . 1 1 69 69 PRO HB2 H 1 2.331 0.030 . 2 . . . . 69 PRO HB2 . 10063 1 799 . 1 1 69 69 PRO HB3 H 1 1.987 0.030 . 2 . . . . 69 PRO HB3 . 10063 1 800 . 1 1 69 69 PRO HG2 H 1 2.044 0.030 . 1 . . . . 69 PRO HG2 . 10063 1 801 . 1 1 69 69 PRO HG3 H 1 2.044 0.030 . 1 . . . . 69 PRO HG3 . 10063 1 802 . 1 1 69 69 PRO HD2 H 1 3.668 0.030 . 1 . . . . 69 PRO HD2 . 10063 1 803 . 1 1 69 69 PRO HD3 H 1 3.668 0.030 . 1 . . . . 69 PRO HD3 . 10063 1 804 . 1 1 69 69 PRO CA C 13 63.339 0.300 . 1 . . . . 69 PRO CA . 10063 1 805 . 1 1 69 69 PRO CB C 13 32.287 0.300 . 1 . . . . 69 PRO CB . 10063 1 806 . 1 1 69 69 PRO CG C 13 27.171 0.300 . 1 . . . . 69 PRO CG . 10063 1 807 . 1 1 69 69 PRO CD C 13 49.844 0.300 . 1 . . . . 69 PRO CD . 10063 1 808 . 1 1 70 70 SER H H 1 8.528 0.030 . 1 . . . . 70 SER H . 10063 1 809 . 1 1 71 71 SER HA H 1 4.450 0.030 . 1 . . . . 71 SER HA . 10063 1 810 . 1 1 71 71 SER HB2 H 1 3.942 0.030 . 1 . . . . 71 SER HB2 . 10063 1 811 . 1 1 71 71 SER HB3 H 1 3.942 0.030 . 1 . . . . 71 SER HB3 . 10063 1 812 . 1 1 71 71 SER C C 13 174.676 0.300 . 1 . . . . 71 SER C . 10063 1 813 . 1 1 71 71 SER CA C 13 58.844 0.300 . 1 . . . . 71 SER CA . 10063 1 814 . 1 1 71 71 SER CB C 13 63.791 0.300 . 1 . . . . 71 SER CB . 10063 1 815 . 1 1 72 72 GLU H H 1 8.347 0.030 . 1 . . . . 72 GLU H . 10063 1 816 . 1 1 72 72 GLU HA H 1 4.303 0.030 . 1 . . . . 72 GLU HA . 10063 1 817 . 1 1 72 72 GLU HB2 H 1 2.073 0.030 . 2 . . . . 72 GLU HB2 . 10063 1 818 . 1 1 72 72 GLU HB3 H 1 1.936 0.030 . 2 . . . . 72 GLU HB3 . 10063 1 819 . 1 1 72 72 GLU HG2 H 1 2.292 0.030 . 2 . . . . 72 GLU HG2 . 10063 1 820 . 1 1 72 72 GLU HG3 H 1 2.248 0.030 . 2 . . . . 72 GLU HG3 . 10063 1 821 . 1 1 72 72 GLU C C 13 176.469 0.300 . 1 . . . . 72 GLU C . 10063 1 822 . 1 1 72 72 GLU CA C 13 56.839 0.300 . 1 . . . . 72 GLU CA . 10063 1 823 . 1 1 72 72 GLU CB C 13 30.244 0.300 . 1 . . . . 72 GLU CB . 10063 1 824 . 1 1 72 72 GLU CG C 13 36.164 0.300 . 1 . . . . 72 GLU CG . 10063 1 825 . 1 1 72 72 GLU N N 15 122.543 0.300 . 1 . . . . 72 GLU N . 10063 1 826 . 1 1 73 73 ARG H H 1 8.239 0.030 . 1 . . . . 73 ARG H . 10063 1 827 . 1 1 73 73 ARG HA H 1 4.348 0.030 . 1 . . . . 73 ARG HA . 10063 1 828 . 1 1 73 73 ARG HB2 H 1 1.872 0.030 . 2 . . . . 73 ARG HB2 . 10063 1 829 . 1 1 73 73 ARG HB3 H 1 1.765 0.030 . 2 . . . . 73 ARG HB3 . 10063 1 830 . 1 1 73 73 ARG HG2 H 1 1.646 0.030 . 1 . . . . 73 ARG HG2 . 10063 1 831 . 1 1 73 73 ARG HG3 H 1 1.646 0.030 . 1 . . . . 73 ARG HG3 . 10063 1 832 . 1 1 73 73 ARG HD2 H 1 3.219 0.030 . 1 . . . . 73 ARG HD2 . 10063 1 833 . 1 1 73 73 ARG HD3 H 1 3.219 0.030 . 1 . . . . 73 ARG HD3 . 10063 1 834 . 1 1 73 73 ARG C C 13 176.032 0.300 . 1 . . . . 73 ARG C . 10063 1 835 . 1 1 73 73 ARG CA C 13 55.959 0.300 . 1 . . . . 73 ARG CA . 10063 1 836 . 1 1 73 73 ARG CB C 13 30.902 0.300 . 1 . . . . 73 ARG CB . 10063 1 837 . 1 1 73 73 ARG CG C 13 26.955 0.300 . 1 . . . . 73 ARG CG . 10063 1 838 . 1 1 73 73 ARG CD C 13 43.318 0.300 . 1 . . . . 73 ARG CD . 10063 1 839 . 1 1 73 73 ARG N N 15 121.640 0.300 . 1 . . . . 73 ARG N . 10063 1 840 . 1 1 74 74 ALA H H 1 8.345 0.030 . 1 . . . . 74 ALA H . 10063 1 841 . 1 1 74 74 ALA HA H 1 4.366 0.030 . 1 . . . . 74 ALA HA . 10063 1 842 . 1 1 74 74 ALA HB1 H 1 1.421 0.030 . 1 . . . . 74 ALA HB . 10063 1 843 . 1 1 74 74 ALA HB2 H 1 1.421 0.030 . 1 . . . . 74 ALA HB . 10063 1 844 . 1 1 74 74 ALA HB3 H 1 1.421 0.030 . 1 . . . . 74 ALA HB . 10063 1 845 . 1 1 74 74 ALA C C 13 177.728 0.300 . 1 . . . . 74 ALA C . 10063 1 846 . 1 1 74 74 ALA CA C 13 52.617 0.300 . 1 . . . . 74 ALA CA . 10063 1 847 . 1 1 74 74 ALA CB C 13 19.309 0.300 . 1 . . . . 74 ALA CB . 10063 1 848 . 1 1 74 74 ALA N N 15 125.551 0.300 . 1 . . . . 74 ALA N . 10063 1 849 . 1 1 75 75 SER H H 1 8.302 0.030 . 1 . . . . 75 SER H . 10063 1 850 . 1 1 75 75 SER HA H 1 4.495 0.030 . 1 . . . . 75 SER HA . 10063 1 851 . 1 1 75 75 SER HB2 H 1 3.881 0.030 . 1 . . . . 75 SER HB2 . 10063 1 852 . 1 1 75 75 SER HB3 H 1 3.881 0.030 . 1 . . . . 75 SER HB3 . 10063 1 853 . 1 1 75 75 SER C C 13 174.627 0.300 . 1 . . . . 75 SER C . 10063 1 854 . 1 1 75 75 SER CA C 13 58.281 0.300 . 1 . . . . 75 SER CA . 10063 1 855 . 1 1 75 75 SER CB C 13 64.120 0.300 . 1 . . . . 75 SER CB . 10063 1 856 . 1 1 75 75 SER N N 15 115.155 0.300 . 1 . . . . 75 SER N . 10063 1 857 . 1 1 76 76 GLY H H 1 8.206 0.030 . 1 . . . . 76 GLY H . 10063 1 858 . 1 1 76 76 GLY C C 13 171.817 0.300 . 1 . . . . 76 GLY C . 10063 1 859 . 1 1 76 76 GLY CA C 13 44.736 0.300 . 1 . . . . 76 GLY CA . 10063 1 860 . 1 1 76 76 GLY N N 15 110.559 0.300 . 1 . . . . 76 GLY N . 10063 1 stop_ save_