data_19525 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19525 _Entry.Title ; Solution structure of the Nt. GR-RBP1 RRM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-24 _Entry.Accession_date 2013-09-24 _Entry.Last_release_date 2013-09-30 _Entry.Original_release_date 2013-09-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. Kahn . . . 19525 2 R. Boelens . . . 19525 3 S. Saqlan . M. . 19525 4 Hugo 'van Ingen' . . . 19525 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19525 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'van IngenGroup' . 19525 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN' . 19525 'RRM domain' . 19525 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19525 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 19525 '15N chemical shifts' 93 19525 '1H chemical shifts' 563 19525 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 . . 2013-09-30 2013-09-24 original author . 19525 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4C7Q 'Solution structure of the Nt. GR-RBP1 RRM domain' 19525 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19525 _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 'Structural basis of nucleic acid binding by Nicotiana tabacum glycine-rich RNA binding protein: implications for its RNA chaperone function' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full 'To be published' _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 F. Kahn . . . 19525 1 2 R. Boelens . . . 19525 1 3 S. Saqlan . M. . 19525 1 4 Hugo 'van Ingen' . . . 19525 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19525 _Assembly.ID 1 _Assembly.Name 'Solution structure of the Nt. GR-RBP1 RRM domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 9522.4633 _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 'RNA-BINDING GLYCINE-RICH PROTEIN' 1 $RNA-BINDING_GLYCINE-RICH_PROTEIN A . yes native no no . . . 19525 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA-BINDING_GLYCINE-RICH_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode RNA-BINDING_GLYCINE-RICH_PROTEIN _Entity.Entry_ID 19525 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA-BINDING_GLYCINE-RICH_PROTEIN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMAEVEYRCFVGGLAWATTD QTLGEAFSQFGEILDSKIIN DRETGRSRGFGFVTFKDEKA MRDAIEGMNGQDLDGRNITV NEAQSR ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RRM domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9522.4633 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB ADG03637.1 . ADG03637.1 . . . . . . . . . . . . . . 19525 1 2 yes UNP D6PZY5_TOBAC . D6PZY5 . . . . . . . . . . . . . . 19525 1 3 no PDB 4C7Q . "Solution Structure Of The Nt. Gr-rbp1 Rrm Domain" . . . . . 100.00 86 100.00 100.00 4.50e-54 . . . . 19525 1 4 no DBJ BAA03741 . "RNA-binding glycine-rich protein-1a [Nicotiana sylvestris]" . . . . . 98.84 156 100.00 100.00 2.13e-54 . . . . 19525 1 5 no GB ABH07505 . "glycine-rich RNA-binding protein [Nicotiana attenuata]" . . . . . 98.84 152 97.65 98.82 3.35e-53 . . . . 19525 1 6 no GB ADG03637 . "RNA-binding glycine-rich protein [Nicotiana tabacum]" . . . . . 98.84 156 100.00 100.00 2.13e-54 . . . . 19525 1 7 no REF XP_009774643 . "PREDICTED: glycine-rich RNA-binding protein-like [Nicotiana sylvestris]" . . . . . 98.84 156 100.00 100.00 2.13e-54 . . . . 19525 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 . 19525 1 2 . MET . 19525 1 3 . ALA . 19525 1 4 . GLU . 19525 1 5 . VAL . 19525 1 6 . GLU . 19525 1 7 . TYR . 19525 1 8 . ARG . 19525 1 9 . CYS . 19525 1 10 . PHE . 19525 1 11 . VAL . 19525 1 12 . GLY . 19525 1 13 . GLY . 19525 1 14 . LEU . 19525 1 15 . ALA . 19525 1 16 . TRP . 19525 1 17 . ALA . 19525 1 18 . THR . 19525 1 19 . THR . 19525 1 20 . ASP . 19525 1 21 . GLN . 19525 1 22 . THR . 19525 1 23 . LEU . 19525 1 24 . GLY . 19525 1 25 . GLU . 19525 1 26 . ALA . 19525 1 27 . PHE . 19525 1 28 . SER . 19525 1 29 . GLN . 19525 1 30 . PHE . 19525 1 31 . GLY . 19525 1 32 . GLU . 19525 1 33 . ILE . 19525 1 34 . LEU . 19525 1 35 . ASP . 19525 1 36 . SER . 19525 1 37 . LYS . 19525 1 38 . ILE . 19525 1 39 . ILE . 19525 1 40 . ASN . 19525 1 41 . ASP . 19525 1 42 . ARG . 19525 1 43 . GLU . 19525 1 44 . THR . 19525 1 45 . GLY . 19525 1 46 . ARG . 19525 1 47 . SER . 19525 1 48 . ARG . 19525 1 49 . GLY . 19525 1 50 . PHE . 19525 1 51 . GLY . 19525 1 52 . PHE . 19525 1 53 . VAL . 19525 1 54 . THR . 19525 1 55 . PHE . 19525 1 56 . LYS . 19525 1 57 . ASP . 19525 1 58 . GLU . 19525 1 59 . LYS . 19525 1 60 . ALA . 19525 1 61 . MET . 19525 1 62 . ARG . 19525 1 63 . ASP . 19525 1 64 . ALA . 19525 1 65 . ILE . 19525 1 66 . GLU . 19525 1 67 . GLY . 19525 1 68 . MET . 19525 1 69 . ASN . 19525 1 70 . GLY . 19525 1 71 . GLN . 19525 1 72 . ASP . 19525 1 73 . LEU . 19525 1 74 . ASP . 19525 1 75 . GLY . 19525 1 76 . ARG . 19525 1 77 . ASN . 19525 1 78 . ILE . 19525 1 79 . THR . 19525 1 80 . VAL . 19525 1 81 . ASN . 19525 1 82 . GLU . 19525 1 83 . ALA . 19525 1 84 . GLN . 19525 1 85 . SER . 19525 1 86 . ARG . 19525 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 19525 1 . MET 2 2 19525 1 . ALA 3 3 19525 1 . GLU 4 4 19525 1 . VAL 5 5 19525 1 . GLU 6 6 19525 1 . TYR 7 7 19525 1 . ARG 8 8 19525 1 . CYS 9 9 19525 1 . PHE 10 10 19525 1 . VAL 11 11 19525 1 . GLY 12 12 19525 1 . GLY 13 13 19525 1 . LEU 14 14 19525 1 . ALA 15 15 19525 1 . TRP 16 16 19525 1 . ALA 17 17 19525 1 . THR 18 18 19525 1 . THR 19 19 19525 1 . ASP 20 20 19525 1 . GLN 21 21 19525 1 . THR 22 22 19525 1 . LEU 23 23 19525 1 . GLY 24 24 19525 1 . GLU 25 25 19525 1 . ALA 26 26 19525 1 . PHE 27 27 19525 1 . SER 28 28 19525 1 . GLN 29 29 19525 1 . PHE 30 30 19525 1 . GLY 31 31 19525 1 . GLU 32 32 19525 1 . ILE 33 33 19525 1 . LEU 34 34 19525 1 . ASP 35 35 19525 1 . SER 36 36 19525 1 . LYS 37 37 19525 1 . ILE 38 38 19525 1 . ILE 39 39 19525 1 . ASN 40 40 19525 1 . ASP 41 41 19525 1 . ARG 42 42 19525 1 . GLU 43 43 19525 1 . THR 44 44 19525 1 . GLY 45 45 19525 1 . ARG 46 46 19525 1 . SER 47 47 19525 1 . ARG 48 48 19525 1 . GLY 49 49 19525 1 . PHE 50 50 19525 1 . GLY 51 51 19525 1 . PHE 52 52 19525 1 . VAL 53 53 19525 1 . THR 54 54 19525 1 . PHE 55 55 19525 1 . LYS 56 56 19525 1 . ASP 57 57 19525 1 . GLU 58 58 19525 1 . LYS 59 59 19525 1 . ALA 60 60 19525 1 . MET 61 61 19525 1 . ARG 62 62 19525 1 . ASP 63 63 19525 1 . ALA 64 64 19525 1 . ILE 65 65 19525 1 . GLU 66 66 19525 1 . GLY 67 67 19525 1 . MET 68 68 19525 1 . ASN 69 69 19525 1 . GLY 70 70 19525 1 . GLN 71 71 19525 1 . ASP 72 72 19525 1 . LEU 73 73 19525 1 . ASP 74 74 19525 1 . GLY 75 75 19525 1 . ARG 76 76 19525 1 . ASN 77 77 19525 1 . ILE 78 78 19525 1 . THR 79 79 19525 1 . VAL 80 80 19525 1 . ASN 81 81 19525 1 . GLU 82 82 19525 1 . ALA 83 83 19525 1 . GLN 84 84 19525 1 . SER 85 85 19525 1 . ARG 86 86 19525 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 19525 _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 $RNA-BINDING_GLYCINE-RICH_PROTEIN . 4097 organism . 'Nicotiana Tabacum' Tobacco . . Eukaryota . Nicotiana Tabacum . . . . . . . . . . . . . . . . . . . . . 19525 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 19525 _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 $RNA-BINDING_GLYCINE-RICH_PROTEIN . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 19525 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19525 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM RRM domain' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% water/90% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA-BINDING GLYCINE-RICH PROTEIN' '[U-13C; U-15N]' . . 1 $RNA-BINDING_GLYCINE-RICH_PROTEIN . . 0.4 . . mM . . . . 19525 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19525 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [7.0], temp [298], pressure [1], ionStrength [150.0]' 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' 150.000 . mM 19525 1 pH 7.000 . pH 19525 1 pressure 1.000 . atm 19525 1 temperature 298.000 . K 19525 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19525 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 19525 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19525 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 19525 _Software.ID 2 _Software.Name ANALYSIS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19525 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19525 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19525 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details 'RECOORD protocol' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19525 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19525 3 'data analysis' 19525 3 stop_ save_ save_CYANA_CNS _Method.Sf_category method _Method.Sf_framecode CYANA_CNS _Method.Entry_ID 19525 _Method.ID 1 _Method.Derivation_type . _Method.Details 'CYANA CNS' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-750 _NMR_spectrometer.Entry_ID 19525 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19525 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance-750 Bruker Avance . 750 . . . 19525 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19525 _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 NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-750 . . . . . . . . . . . . . . . . 19525 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19525 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 $Bruker_Avance-750 _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 1 _NMR_spec_expt.Method_label $CYANA_CNS _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19525 _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 internal indirect 0.251449519 . . . . . . . . . 19525 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . . . . . 19525 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19525 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19525 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4c7q/ebi/ccpn-export-bmrb-renum-3.2.star.csh' _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 NOESY 1 $sample_1 solution 19525 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 GLY HA2 H 1 3.845 0.001 . 1 . 2 . . 1 GLY HA2 . 19525 1 2 . 1 1 1 1 GLY HA3 H 1 3.845 0.001 . 1 . 3 . . 1 GLY HA3 . 19525 1 3 . 1 1 1 1 GLY CA C 13 43.507 0.01 . 1 . 1 . . 1 GLY CA . 19525 1 4 . 1 1 2 2 MET HA H 1 4.478 0.006 . 1 . 8 . . 2 MET HA . 19525 1 5 . 1 1 2 2 MET HB2 H 1 2.098 0.009 . 2 . 9 . . 2 MET HB2 . 19525 1 6 . 1 1 2 2 MET HB3 H 1 2.012 0.009 . 2 . 10 . . 2 MET HB3 . 19525 1 7 . 1 1 2 2 MET HG2 H 1 2.579 0.004 . 2 . 12 . . 2 MET HG2 . 19525 1 8 . 1 1 2 2 MET HG3 H 1 2.612 0.009 . 2 . 13 . . 2 MET HG3 . 19525 1 9 . 1 1 2 2 MET HE1 H 1 1.691 0.001 . 1 . 11 . . 2 MET HE1 . 19525 1 10 . 1 1 2 2 MET HE2 H 1 1.691 0.001 . 1 . 11 . . 2 MET HE2 . 19525 1 11 . 1 1 2 2 MET HE3 H 1 1.691 0.001 . 1 . 11 . . 2 MET HE3 . 19525 1 12 . 1 1 2 2 MET CA C 13 55.682 0.034 . 1 . 4 . . 2 MET CA . 19525 1 13 . 1 1 2 2 MET CB C 13 33.139 0.047 . 1 . 5 . . 2 MET CB . 19525 1 14 . 1 1 2 2 MET CG C 13 31.833 0.067 . 1 . 7 . . 2 MET CG . 19525 1 15 . 1 1 2 2 MET CE C 13 16.144 0.01 . 1 . 6 . . 2 MET CE . 19525 1 16 . 1 1 3 3 ALA H H 1 8.473 0.002 . 1 . 17 . . 3 ALA H . 19525 1 17 . 1 1 3 3 ALA HA H 1 4.320 0.003 . 1 . 18 . . 3 ALA HA . 19525 1 18 . 1 1 3 3 ALA HB1 H 1 1.393 0.009 . 1 . 19 . . 3 ALA HB1 . 19525 1 19 . 1 1 3 3 ALA HB2 H 1 1.393 0.009 . 1 . 19 . . 3 ALA HB2 . 19525 1 20 . 1 1 3 3 ALA HB3 H 1 1.393 0.009 . 1 . 19 . . 3 ALA HB3 . 19525 1 21 . 1 1 3 3 ALA C C 13 177.472 0.01 . 1 . 14 . . 3 ALA C . 19525 1 22 . 1 1 3 3 ALA CA C 13 52.489 0.029 . 1 . 15 . . 3 ALA CA . 19525 1 23 . 1 1 3 3 ALA CB C 13 19.288 0.037 . 1 . 16 . . 3 ALA CB . 19525 1 24 . 1 1 3 3 ALA N N 15 125.300 0.018 . 1 . 20 . . 3 ALA N . 19525 1 25 . 1 1 4 4 GLU H H 1 8.375 0.003 . 1 . 25 . . 4 GLU H . 19525 1 26 . 1 1 4 4 GLU HA H 1 4.267 0.005 . 1 . 26 . . 4 GLU HA . 19525 1 27 . 1 1 4 4 GLU HB2 H 1 1.912 0.02 . 2 . 27 . . 4 GLU HB2 . 19525 1 28 . 1 1 4 4 GLU HB3 H 1 2.019 0.023 . 2 . 28 . . 4 GLU HB3 . 19525 1 29 . 1 1 4 4 GLU HG2 H 1 2.272 0.009 . 2 . 29 . . 4 GLU HG2 . 19525 1 30 . 1 1 4 4 GLU HG3 H 1 2.263 0.009 . 2 . 30 . . 4 GLU HG3 . 19525 1 31 . 1 1 4 4 GLU C C 13 176.156 0.01 . 1 . 21 . . 4 GLU C . 19525 1 32 . 1 1 4 4 GLU CA C 13 56.597 0.071 . 1 . 22 . . 4 GLU CA . 19525 1 33 . 1 1 4 4 GLU CB C 13 30.204 0.066 . 1 . 23 . . 4 GLU CB . 19525 1 34 . 1 1 4 4 GLU CG C 13 36.351 0.069 . 1 . 24 . . 4 GLU CG . 19525 1 35 . 1 1 4 4 GLU N N 15 120.541 0.009 . 1 . 31 . . 4 GLU N . 19525 1 36 . 1 1 5 5 VAL H H 1 8.053 0.001 . 1 . 37 . . 5 VAL H . 19525 1 37 . 1 1 5 5 VAL HA H 1 3.983 0.003 . 1 . 38 . . 5 VAL HA . 19525 1 38 . 1 1 5 5 VAL HB H 1 1.875 0.004 . 1 . 39 . . 5 VAL HB . 19525 1 39 . 1 1 5 5 VAL HG11 H 1 0.850 0.003 . 2 . 40 . . 5 VAL HG11 . 19525 1 40 . 1 1 5 5 VAL HG12 H 1 0.850 0.003 . 2 . 40 . . 5 VAL HG12 . 19525 1 41 . 1 1 5 5 VAL HG13 H 1 0.850 0.003 . 2 . 40 . . 5 VAL HG13 . 19525 1 42 . 1 1 5 5 VAL HG21 H 1 0.694 0.005 . 2 . 41 . . 5 VAL HG21 . 19525 1 43 . 1 1 5 5 VAL HG22 H 1 0.694 0.005 . 2 . 41 . . 5 VAL HG22 . 19525 1 44 . 1 1 5 5 VAL HG23 H 1 0.694 0.005 . 2 . 41 . . 5 VAL HG23 . 19525 1 45 . 1 1 5 5 VAL C C 13 174.469 0.01 . 1 . 32 . . 5 VAL C . 19525 1 46 . 1 1 5 5 VAL CA C 13 62.023 0.022 . 1 . 33 . . 5 VAL CA . 19525 1 47 . 1 1 5 5 VAL CB C 13 33.057 0.055 . 1 . 34 . . 5 VAL CB . 19525 1 48 . 1 1 5 5 VAL CG1 C 13 20.739 0.034 . 2 . 35 . . 5 VAL CG1 . 19525 1 49 . 1 1 5 5 VAL CG2 C 13 21.232 0.044 . 2 . 36 . . 5 VAL CG2 . 19525 1 50 . 1 1 5 5 VAL N N 15 121.276 0.026 . 1 . 42 . . 5 VAL N . 19525 1 51 . 1 1 6 6 GLU H H 1 8.002 0.001 . 1 . 47 . . 6 GLU H . 19525 1 52 . 1 1 6 6 GLU HA H 1 4.272 0.009 . 1 . 48 . . 6 GLU HA . 19525 1 53 . 1 1 6 6 GLU HB2 H 1 1.749 0.004 . 1 . 49 . . 6 GLU HB2 . 19525 1 54 . 1 1 6 6 GLU HB3 H 1 1.749 0.004 . 1 . 50 . . 6 GLU HB3 . 19525 1 55 . 1 1 6 6 GLU HG2 H 1 2.075 0.003 . 2 . 51 . . 6 GLU HG2 . 19525 1 56 . 1 1 6 6 GLU HG3 H 1 2.019 0.002 . 2 . 52 . . 6 GLU HG3 . 19525 1 57 . 1 1 6 6 GLU C C 13 175.122 0.01 . 1 . 43 . . 6 GLU C . 19525 1 58 . 1 1 6 6 GLU CA C 13 54.662 0.028 . 1 . 44 . . 6 GLU CA . 19525 1 59 . 1 1 6 6 GLU CB C 13 32.400 0.038 . 1 . 45 . . 6 GLU CB . 19525 1 60 . 1 1 6 6 GLU CG C 13 36.233 0.032 . 1 . 46 . . 6 GLU CG . 19525 1 61 . 1 1 6 6 GLU N N 15 123.138 0.013 . 1 . 53 . . 6 GLU N . 19525 1 62 . 1 1 7 7 TYR H H 1 8.575 0.003 . 1 . 61 . . 7 TYR H . 19525 1 63 . 1 1 7 7 TYR HA H 1 4.867 0.003 . 1 . 62 . . 7 TYR HA . 19525 1 64 . 1 1 7 7 TYR HB2 H 1 2.929 0.008 . 2 . 63 . . 7 TYR HB2 . 19525 1 65 . 1 1 7 7 TYR HB3 H 1 3.275 0.007 . 2 . 64 . . 7 TYR HB3 . 19525 1 66 . 1 1 7 7 TYR HD1 H 1 6.977 0.001 . 3 . 65 . . 7 TYR HD1 . 19525 1 67 . 1 1 7 7 TYR HD2 H 1 6.977 0.001 . 3 . 66 . . 7 TYR HD2 . 19525 1 68 . 1 1 7 7 TYR HE1 H 1 6.807 0.001 . 3 . 67 . . 7 TYR HE1 . 19525 1 69 . 1 1 7 7 TYR HE2 H 1 6.789 0.001 . 3 . 68 . . 7 TYR HE2 . 19525 1 70 . 1 1 7 7 TYR C C 13 174.136 0.01 . 1 . 54 . . 7 TYR C . 19525 1 71 . 1 1 7 7 TYR CA C 13 57.380 0.035 . 1 . 55 . . 7 TYR CA . 19525 1 72 . 1 1 7 7 TYR CB C 13 36.940 0.054 . 1 . 56 . . 7 TYR CB . 19525 1 73 . 1 1 7 7 TYR CD1 C 13 132.560 0.01 . 3 . 57 . . 7 TYR CD1 . 19525 1 74 . 1 1 7 7 TYR CD2 C 13 132.698 0.01 . 3 . 58 . . 7 TYR CD2 . 19525 1 75 . 1 1 7 7 TYR CE1 C 13 118.303 0.01 . 3 . 59 . . 7 TYR CE1 . 19525 1 76 . 1 1 7 7 TYR CE2 C 13 118.303 0.01 . 3 . 60 . . 7 TYR CE2 . 19525 1 77 . 1 1 7 7 TYR N N 15 124.449 0.013 . 1 . 69 . . 7 TYR N . 19525 1 78 . 1 1 8 8 ARG H H 1 8.435 0.003 . 1 . 75 . . 8 ARG H . 19525 1 79 . 1 1 8 8 ARG HA H 1 5.458 0.003 . 1 . 76 . . 8 ARG HA . 19525 1 80 . 1 1 8 8 ARG HB2 H 1 1.618 0.007 . 2 . 77 . . 8 ARG HB2 . 19525 1 81 . 1 1 8 8 ARG HB3 H 1 1.801 0.006 . 2 . 78 . . 8 ARG HB3 . 19525 1 82 . 1 1 8 8 ARG HG2 H 1 1.534 0.004 . 2 . 81 . . 8 ARG HG2 . 19525 1 83 . 1 1 8 8 ARG HG3 H 1 1.489 0.007 . 2 . 82 . . 8 ARG HG3 . 19525 1 84 . 1 1 8 8 ARG HD2 H 1 2.832 0.005 . 1 . 79 . . 8 ARG HD2 . 19525 1 85 . 1 1 8 8 ARG HD3 H 1 2.832 0.005 . 1 . 80 . . 8 ARG HD3 . 19525 1 86 . 1 1 8 8 ARG C C 13 175.466 0.01 . 1 . 70 . . 8 ARG C . 19525 1 87 . 1 1 8 8 ARG CA C 13 54.838 0.037 . 1 . 71 . . 8 ARG CA . 19525 1 88 . 1 1 8 8 ARG CB C 13 34.469 0.066 . 1 . 72 . . 8 ARG CB . 19525 1 89 . 1 1 8 8 ARG CG C 13 27.605 0.065 . 1 . 74 . . 8 ARG CG . 19525 1 90 . 1 1 8 8 ARG CD C 13 43.489 0.018 . 1 . 73 . . 8 ARG CD . 19525 1 91 . 1 1 8 8 ARG N N 15 124.695 0.013 . 1 . 83 . . 8 ARG N . 19525 1 92 . 1 1 9 9 CYS H H 1 9.646 0.004 . 1 . 87 . . 9 CYS H . 19525 1 93 . 1 1 9 9 CYS HA H 1 5.244 0.003 . 1 . 88 . . 9 CYS HA . 19525 1 94 . 1 1 9 9 CYS HB2 H 1 2.742 0.011 . 2 . 89 . . 9 CYS HB2 . 19525 1 95 . 1 1 9 9 CYS HB3 H 1 2.789 0.008 . 2 . 90 . . 9 CYS HB3 . 19525 1 96 . 1 1 9 9 CYS C C 13 174.079 0.01 . 1 . 84 . . 9 CYS C . 19525 1 97 . 1 1 9 9 CYS CA C 13 57.497 0.031 . 1 . 85 . . 9 CYS CA . 19525 1 98 . 1 1 9 9 CYS CB C 13 30.070 0.041 . 1 . 86 . . 9 CYS CB . 19525 1 99 . 1 1 9 9 CYS N N 15 121.621 0.021 . 1 . 91 . . 9 CYS N . 19525 1 100 . 1 1 10 10 PHE H H 1 9.202 0.006 . 1 . 97 . . 10 PHE H . 19525 1 101 . 1 1 10 10 PHE HA H 1 4.678 0.006 . 1 . 98 . . 10 PHE HA . 19525 1 102 . 1 1 10 10 PHE HB2 H 1 3.029 0.002 . 2 . 99 . . 10 PHE HB2 . 19525 1 103 . 1 1 10 10 PHE HB3 H 1 2.959 0.003 . 2 . 100 . . 10 PHE HB3 . 19525 1 104 . 1 1 10 10 PHE HD1 H 1 6.973 0.001 . 3 . 101 . . 10 PHE HD1 . 19525 1 105 . 1 1 10 10 PHE HD2 H 1 6.967 0.001 . 3 . 102 . . 10 PHE HD2 . 19525 1 106 . 1 1 10 10 PHE C C 13 173.448 0.01 . 1 . 92 . . 10 PHE C . 19525 1 107 . 1 1 10 10 PHE CA C 13 57.528 0.036 . 1 . 93 . . 10 PHE CA . 19525 1 108 . 1 1 10 10 PHE CB C 13 40.643 0.042 . 1 . 94 . . 10 PHE CB . 19525 1 109 . 1 1 10 10 PHE CD1 C 13 129.122 0.01 . 3 . 95 . . 10 PHE CD1 . 19525 1 110 . 1 1 10 10 PHE CD2 C 13 129.122 0.01 . 3 . 96 . . 10 PHE CD2 . 19525 1 111 . 1 1 10 10 PHE N N 15 125.674 0.015 . 1 . 103 . . 10 PHE N . 19525 1 112 . 1 1 11 11 VAL H H 1 8.030 0.009 . 1 . 109 . . 11 VAL H . 19525 1 113 . 1 1 11 11 VAL HA H 1 4.850 0.009 . 1 . 110 . . 11 VAL HA . 19525 1 114 . 1 1 11 11 VAL HB H 1 1.442 0.003 . 1 . 111 . . 11 VAL HB . 19525 1 115 . 1 1 11 11 VAL HG11 H 1 0.869 0.005 . 2 . 112 . . 11 VAL HG11 . 19525 1 116 . 1 1 11 11 VAL HG12 H 1 0.869 0.005 . 2 . 112 . . 11 VAL HG12 . 19525 1 117 . 1 1 11 11 VAL HG13 H 1 0.869 0.005 . 2 . 112 . . 11 VAL HG13 . 19525 1 118 . 1 1 11 11 VAL HG21 H 1 0.500 0.003 . 2 . 113 . . 11 VAL HG21 . 19525 1 119 . 1 1 11 11 VAL HG22 H 1 0.500 0.003 . 2 . 113 . . 11 VAL HG22 . 19525 1 120 . 1 1 11 11 VAL HG23 H 1 0.500 0.003 . 2 . 113 . . 11 VAL HG23 . 19525 1 121 . 1 1 11 11 VAL C C 13 173.767 0.01 . 1 . 104 . . 11 VAL C . 19525 1 122 . 1 1 11 11 VAL CA C 13 59.959 0.037 . 1 . 105 . . 11 VAL CA . 19525 1 123 . 1 1 11 11 VAL CB C 13 32.977 0.044 . 1 . 106 . . 11 VAL CB . 19525 1 124 . 1 1 11 11 VAL CG1 C 13 23.318 0.033 . 2 . 107 . . 11 VAL CG1 . 19525 1 125 . 1 1 11 11 VAL CG2 C 13 21.241 0.028 . 2 . 108 . . 11 VAL CG2 . 19525 1 126 . 1 1 11 11 VAL N N 15 127.666 0.02 . 1 . 114 . . 11 VAL N . 19525 1 127 . 1 1 12 12 GLY H H 1 9.055 0.005 . 1 . 117 . . 12 GLY H . 19525 1 128 . 1 1 12 12 GLY HA2 H 1 3.654 0.005 . 2 . 118 . . 12 GLY HA2 . 19525 1 129 . 1 1 12 12 GLY HA3 H 1 4.721 0.01 . 2 . 119 . . 12 GLY HA3 . 19525 1 130 . 1 1 12 12 GLY C C 13 173.753 0.01 . 1 . 115 . . 12 GLY C . 19525 1 131 . 1 1 12 12 GLY CA C 13 43.427 0.037 . 1 . 116 . . 12 GLY CA . 19525 1 132 . 1 1 12 12 GLY N N 15 111.765 0.02 . 1 . 120 . . 12 GLY N . 19525 1 133 . 1 1 13 13 GLY H H 1 8.210 0.003 . 1 . 123 . . 13 GLY H . 19525 1 134 . 1 1 13 13 GLY HA2 H 1 4.198 0.002 . 2 . 124 . . 13 GLY HA2 . 19525 1 135 . 1 1 13 13 GLY HA3 H 1 3.735 0.004 . 2 . 125 . . 13 GLY HA3 . 19525 1 136 . 1 1 13 13 GLY C C 13 175.168 0.01 . 1 . 121 . . 13 GLY C . 19525 1 137 . 1 1 13 13 GLY CA C 13 46.001 0.042 . 1 . 122 . . 13 GLY CA . 19525 1 138 . 1 1 13 13 GLY N N 15 107.061 0.011 . 1 . 126 . . 13 GLY N . 19525 1 139 . 1 1 14 14 LEU H H 1 7.591 0.005 . 1 . 133 . . 14 LEU H . 19525 1 140 . 1 1 14 14 LEU HA H 1 4.168 0.004 . 1 . 134 . . 14 LEU HA . 19525 1 141 . 1 1 14 14 LEU HB2 H 1 1.069 0.005 . 2 . 135 . . 14 LEU HB2 . 19525 1 142 . 1 1 14 14 LEU HB3 H 1 1.315 0.007 . 2 . 136 . . 14 LEU HB3 . 19525 1 143 . 1 1 14 14 LEU HG H 1 1.255 0.008 . 1 . 139 . . 14 LEU HG . 19525 1 144 . 1 1 14 14 LEU HD11 H 1 0.763 0.003 . 2 . 137 . . 14 LEU HD11 . 19525 1 145 . 1 1 14 14 LEU HD12 H 1 0.763 0.003 . 2 . 137 . . 14 LEU HD12 . 19525 1 146 . 1 1 14 14 LEU HD13 H 1 0.763 0.003 . 2 . 137 . . 14 LEU HD13 . 19525 1 147 . 1 1 14 14 LEU HD21 H 1 0.417 0.005 . 2 . 138 . . 14 LEU HD21 . 19525 1 148 . 1 1 14 14 LEU HD22 H 1 0.417 0.005 . 2 . 138 . . 14 LEU HD22 . 19525 1 149 . 1 1 14 14 LEU HD23 H 1 0.417 0.005 . 2 . 138 . . 14 LEU HD23 . 19525 1 150 . 1 1 14 14 LEU C C 13 178.690 0.01 . 1 . 127 . . 14 LEU C . 19525 1 151 . 1 1 14 14 LEU CA C 13 54.165 0.042 . 1 . 128 . . 14 LEU CA . 19525 1 152 . 1 1 14 14 LEU CB C 13 43.538 0.045 . 1 . 129 . . 14 LEU CB . 19525 1 153 . 1 1 14 14 LEU CG C 13 26.729 0.149 . 1 . 132 . . 14 LEU CG . 19525 1 154 . 1 1 14 14 LEU CD1 C 13 24.058 0.046 . 2 . 130 . . 14 LEU CD1 . 19525 1 155 . 1 1 14 14 LEU CD2 C 13 26.545 0.043 . 2 . 131 . . 14 LEU CD2 . 19525 1 156 . 1 1 14 14 LEU N N 15 114.980 0.01 . 1 . 140 . . 14 LEU N . 19525 1 157 . 1 1 15 15 ALA H H 1 9.683 0.002 . 1 . 144 . . 15 ALA H . 19525 1 158 . 1 1 15 15 ALA HA H 1 4.078 0.005 . 1 . 145 . . 15 ALA HA . 19525 1 159 . 1 1 15 15 ALA HB1 H 1 1.491 0.003 . 1 . 146 . . 15 ALA HB1 . 19525 1 160 . 1 1 15 15 ALA HB2 H 1 1.491 0.003 . 1 . 146 . . 15 ALA HB2 . 19525 1 161 . 1 1 15 15 ALA HB3 H 1 1.491 0.003 . 1 . 146 . . 15 ALA HB3 . 19525 1 162 . 1 1 15 15 ALA C C 13 179.477 0.01 . 1 . 141 . . 15 ALA C . 19525 1 163 . 1 1 15 15 ALA CA C 13 51.547 0.036 . 1 . 142 . . 15 ALA CA . 19525 1 164 . 1 1 15 15 ALA CB C 13 19.157 0.081 . 1 . 143 . . 15 ALA CB . 19525 1 165 . 1 1 15 15 ALA N N 15 124.275 0.022 . 1 . 147 . . 15 ALA N . 19525 1 166 . 1 1 16 16 TRP H H 1 8.107 0.005 . 1 . 156 . . 16 TRP H . 19525 1 167 . 1 1 16 16 TRP HA H 1 4.412 0.005 . 1 . 157 . . 16 TRP HA . 19525 1 168 . 1 1 16 16 TRP HB2 H 1 3.370 0.023 . 2 . 158 . . 16 TRP HB2 . 19525 1 169 . 1 1 16 16 TRP HB3 H 1 3.326 0.032 . 2 . 159 . . 16 TRP HB3 . 19525 1 170 . 1 1 16 16 TRP HD1 H 1 7.335 0.001 . 1 . 160 . . 16 TRP HD1 . 19525 1 171 . 1 1 16 16 TRP HE1 H 1 10.198 0.001 . 1 . 161 . . 16 TRP HE1 . 19525 1 172 . 1 1 16 16 TRP HE3 H 1 7.543 0.001 . 1 . 162 . . 16 TRP HE3 . 19525 1 173 . 1 1 16 16 TRP HZ2 H 1 7.537 0.001 . 1 . 164 . . 16 TRP HZ2 . 19525 1 174 . 1 1 16 16 TRP HZ3 H 1 7.108 0.001 . 1 . 165 . . 16 TRP HZ3 . 19525 1 175 . 1 1 16 16 TRP HH2 H 1 7.260 0.001 . 1 . 163 . . 16 TRP HH2 . 19525 1 176 . 1 1 16 16 TRP C C 13 177.006 0.01 . 1 . 148 . . 16 TRP C . 19525 1 177 . 1 1 16 16 TRP CA C 13 58.875 0.067 . 1 . 149 . . 16 TRP CA . 19525 1 178 . 1 1 16 16 TRP CB C 13 28.661 0.058 . 1 . 150 . . 16 TRP CB . 19525 1 179 . 1 1 16 16 TRP CD1 C 13 127.360 0.01 . 1 . 151 . . 16 TRP CD1 . 19525 1 180 . 1 1 16 16 TRP CE3 C 13 120.841 0.01 . 1 . 152 . . 16 TRP CE3 . 19525 1 181 . 1 1 16 16 TRP CZ2 C 13 114.753 0.01 . 1 . 154 . . 16 TRP CZ2 . 19525 1 182 . 1 1 16 16 TRP CZ3 C 13 122.266 0.01 . 1 . 155 . . 16 TRP CZ3 . 19525 1 183 . 1 1 16 16 TRP CH2 C 13 124.884 0.01 . 1 . 153 . . 16 TRP CH2 . 19525 1 184 . 1 1 16 16 TRP N N 15 122.724 0.021 . 1 . 166 . . 16 TRP N . 19525 1 185 . 1 1 16 16 TRP NE1 N 15 129.251 0.01 . 1 . 167 . . 16 TRP NE1 . 19525 1 186 . 1 1 17 17 ALA H H 1 7.474 0.002 . 1 . 171 . . 17 ALA H . 19525 1 187 . 1 1 17 17 ALA HA H 1 4.099 0.003 . 1 . 172 . . 17 ALA HA . 19525 1 188 . 1 1 17 17 ALA HB1 H 1 1.178 0.004 . 1 . 173 . . 17 ALA HB1 . 19525 1 189 . 1 1 17 17 ALA HB2 H 1 1.178 0.004 . 1 . 173 . . 17 ALA HB2 . 19525 1 190 . 1 1 17 17 ALA HB3 H 1 1.178 0.004 . 1 . 173 . . 17 ALA HB3 . 19525 1 191 . 1 1 17 17 ALA C C 13 178.136 0.01 . 1 . 168 . . 17 ALA C . 19525 1 192 . 1 1 17 17 ALA CA C 13 52.619 0.033 . 1 . 169 . . 17 ALA CA . 19525 1 193 . 1 1 17 17 ALA CB C 13 19.252 0.024 . 1 . 170 . . 17 ALA CB . 19525 1 194 . 1 1 17 17 ALA N N 15 115.943 0.02 . 1 . 174 . . 17 ALA N . 19525 1 195 . 1 1 18 18 THR H H 1 7.325 0.005 . 1 . 179 . . 18 THR H . 19525 1 196 . 1 1 18 18 THR HA H 1 4.049 0.003 . 1 . 180 . . 18 THR HA . 19525 1 197 . 1 1 18 18 THR HB H 1 3.904 0.002 . 1 . 181 . . 18 THR HB . 19525 1 198 . 1 1 18 18 THR HG21 H 1 1.253 0.004 . 1 . 182 . . 18 THR HG21 . 19525 1 199 . 1 1 18 18 THR HG22 H 1 1.253 0.004 . 1 . 182 . . 18 THR HG22 . 19525 1 200 . 1 1 18 18 THR HG23 H 1 1.253 0.004 . 1 . 182 . . 18 THR HG23 . 19525 1 201 . 1 1 18 18 THR C C 13 174.168 0.01 . 1 . 175 . . 18 THR C . 19525 1 202 . 1 1 18 18 THR CA C 13 65.136 0.02 . 1 . 176 . . 18 THR CA . 19525 1 203 . 1 1 18 18 THR CB C 13 68.355 0.023 . 1 . 177 . . 18 THR CB . 19525 1 204 . 1 1 18 18 THR CG2 C 13 23.531 0.03 . 1 . 178 . . 18 THR CG2 . 19525 1 205 . 1 1 18 18 THR N N 15 117.194 0.015 . 1 . 183 . . 18 THR N . 19525 1 206 . 1 1 19 19 THR H H 1 7.997 0.003 . 1 . 188 . . 19 THR H . 19525 1 207 . 1 1 19 19 THR HA H 1 4.749 0.005 . 1 . 189 . . 19 THR HA . 19525 1 208 . 1 1 19 19 THR HB H 1 4.773 0.006 . 1 . 190 . . 19 THR HB . 19525 1 209 . 1 1 19 19 THR HG21 H 1 1.345 0.004 . 1 . 191 . . 19 THR HG21 . 19525 1 210 . 1 1 19 19 THR HG22 H 1 1.345 0.004 . 1 . 191 . . 19 THR HG22 . 19525 1 211 . 1 1 19 19 THR HG23 H 1 1.345 0.004 . 1 . 191 . . 19 THR HG23 . 19525 1 212 . 1 1 19 19 THR C C 13 174.948 0.01 . 1 . 184 . . 19 THR C . 19525 1 213 . 1 1 19 19 THR CA C 13 59.466 0.044 . 1 . 185 . . 19 THR CA . 19525 1 214 . 1 1 19 19 THR CB C 13 73.045 0.064 . 1 . 186 . . 19 THR CB . 19525 1 215 . 1 1 19 19 THR CG2 C 13 21.712 0.029 . 1 . 187 . . 19 THR CG2 . 19525 1 216 . 1 1 19 19 THR N N 15 117.853 0.018 . 1 . 192 . . 19 THR N . 19525 1 217 . 1 1 20 20 ASP H H 1 8.819 0.005 . 1 . 196 . . 20 ASP H . 19525 1 218 . 1 1 20 20 ASP HA H 1 3.897 0.003 . 1 . 197 . . 20 ASP HA . 19525 1 219 . 1 1 20 20 ASP HB2 H 1 2.665 0.008 . 2 . 198 . . 20 ASP HB2 . 19525 1 220 . 1 1 20 20 ASP HB3 H 1 2.866 0.01 . 2 . 199 . . 20 ASP HB3 . 19525 1 221 . 1 1 20 20 ASP C C 13 179.140 0.01 . 1 . 193 . . 20 ASP C . 19525 1 222 . 1 1 20 20 ASP CA C 13 57.851 0.026 . 1 . 194 . . 20 ASP CA . 19525 1 223 . 1 1 20 20 ASP CB C 13 40.053 0.063 . 1 . 195 . . 20 ASP CB . 19525 1 224 . 1 1 20 20 ASP N N 15 119.977 0.007 . 1 . 200 . . 20 ASP N . 19525 1 225 . 1 1 21 21 GLN H H 1 8.118 0.005 . 1 . 206 . . 21 GLN H . 19525 1 226 . 1 1 21 21 GLN HA H 1 4.121 0.005 . 1 . 207 . . 21 GLN HA . 19525 1 227 . 1 1 21 21 GLN HB2 H 1 1.994 0.004 . 2 . 208 . . 21 GLN HB2 . 19525 1 228 . 1 1 21 21 GLN HB3 H 1 2.173 0.007 . 2 . 209 . . 21 GLN HB3 . 19525 1 229 . 1 1 21 21 GLN HG2 H 1 2.403 0.001 . 1 . 212 . . 21 GLN HG2 . 19525 1 230 . 1 1 21 21 GLN HG3 H 1 2.403 0.001 . 1 . 213 . . 21 GLN HG3 . 19525 1 231 . 1 1 21 21 GLN HE21 H 1 7.786 0.001 . 1 . 210 . . 21 GLN HE21 . 19525 1 232 . 1 1 21 21 GLN HE22 H 1 6.890 0.001 . 1 . 211 . . 21 GLN HE22 . 19525 1 233 . 1 1 21 21 GLN C C 13 178.642 0.01 . 1 . 201 . . 21 GLN C . 19525 1 234 . 1 1 21 21 GLN CA C 13 59.043 0.024 . 1 . 202 . . 21 GLN CA . 19525 1 235 . 1 1 21 21 GLN CB C 13 28.330 0.093 . 1 . 203 . . 21 GLN CB . 19525 1 236 . 1 1 21 21 GLN CG C 13 33.696 0.018 . 1 . 205 . . 21 GLN CG . 19525 1 237 . 1 1 21 21 GLN CD C 13 180.247 0.001 . 1 . 204 . . 21 GLN CD . 19525 1 238 . 1 1 21 21 GLN N N 15 118.555 0.019 . 1 . 214 . . 21 GLN N . 19525 1 239 . 1 1 21 21 GLN NE2 N 15 112.915 0.011 . 1 . 215 . . 21 GLN NE2 . 19525 1 240 . 1 1 22 22 THR H H 1 8.112 0.002 . 1 . 220 . . 22 THR H . 19525 1 241 . 1 1 22 22 THR HA H 1 4.110 0.001 . 1 . 221 . . 22 THR HA . 19525 1 242 . 1 1 22 22 THR HB H 1 4.436 0.003 . 1 . 222 . . 22 THR HB . 19525 1 243 . 1 1 22 22 THR HG21 H 1 1.339 0.003 . 1 . 223 . . 22 THR HG21 . 19525 1 244 . 1 1 22 22 THR HG22 H 1 1.339 0.003 . 1 . 223 . . 22 THR HG22 . 19525 1 245 . 1 1 22 22 THR HG23 H 1 1.339 0.003 . 1 . 223 . . 22 THR HG23 . 19525 1 246 . 1 1 22 22 THR C C 13 177.920 0.01 . 1 . 216 . . 22 THR C . 19525 1 247 . 1 1 22 22 THR CA C 13 65.733 0.036 . 1 . 217 . . 22 THR CA . 19525 1 248 . 1 1 22 22 THR CB C 13 68.000 0.033 . 1 . 218 . . 22 THR CB . 19525 1 249 . 1 1 22 22 THR CG2 C 13 22.764 0.031 . 1 . 219 . . 22 THR CG2 . 19525 1 250 . 1 1 22 22 THR N N 15 116.067 0.018 . 1 . 224 . . 22 THR N . 19525 1 251 . 1 1 23 23 LEU H H 1 8.484 0.002 . 1 . 231 . . 23 LEU H . 19525 1 252 . 1 1 23 23 LEU HA H 1 4.093 0.005 . 1 . 232 . . 23 LEU HA . 19525 1 253 . 1 1 23 23 LEU HB2 H 1 1.273 0.01 . 2 . 233 . . 23 LEU HB2 . 19525 1 254 . 1 1 23 23 LEU HB3 H 1 1.744 0.009 . 2 . 234 . . 23 LEU HB3 . 19525 1 255 . 1 1 23 23 LEU HG H 1 1.194 0.006 . 1 . 237 . . 23 LEU HG . 19525 1 256 . 1 1 23 23 LEU HD11 H 1 0.678 0.005 . 2 . 235 . . 23 LEU HD11 . 19525 1 257 . 1 1 23 23 LEU HD12 H 1 0.678 0.005 . 2 . 235 . . 23 LEU HD12 . 19525 1 258 . 1 1 23 23 LEU HD13 H 1 0.678 0.005 . 2 . 235 . . 23 LEU HD13 . 19525 1 259 . 1 1 23 23 LEU HD21 H 1 0.432 0.003 . 2 . 236 . . 23 LEU HD21 . 19525 1 260 . 1 1 23 23 LEU HD22 H 1 0.432 0.003 . 2 . 236 . . 23 LEU HD22 . 19525 1 261 . 1 1 23 23 LEU HD23 H 1 0.432 0.003 . 2 . 236 . . 23 LEU HD23 . 19525 1 262 . 1 1 23 23 LEU C C 13 178.096 0.01 . 1 . 225 . . 23 LEU C . 19525 1 263 . 1 1 23 23 LEU CA C 13 58.445 0.055 . 1 . 226 . . 23 LEU CA . 19525 1 264 . 1 1 23 23 LEU CB C 13 42.299 0.036 . 1 . 227 . . 23 LEU CB . 19525 1 265 . 1 1 23 23 LEU CG C 13 26.290 0.065 . 1 . 230 . . 23 LEU CG . 19525 1 266 . 1 1 23 23 LEU CD1 C 13 25.613 0.047 . 2 . 228 . . 23 LEU CD1 . 19525 1 267 . 1 1 23 23 LEU CD2 C 13 24.603 0.066 . 2 . 229 . . 23 LEU CD2 . 19525 1 268 . 1 1 23 23 LEU N N 15 123.941 0.015 . 1 . 238 . . 23 LEU N . 19525 1 269 . 1 1 24 24 GLY H H 1 7.779 0.007 . 1 . 241 . . 24 GLY H . 19525 1 270 . 1 1 24 24 GLY HA2 H 1 4.023 0.004 . 2 . 242 . . 24 GLY HA2 . 19525 1 271 . 1 1 24 24 GLY HA3 H 1 3.621 0.005 . 2 . 243 . . 24 GLY HA3 . 19525 1 272 . 1 1 24 24 GLY C C 13 176.705 0.01 . 1 . 239 . . 24 GLY C . 19525 1 273 . 1 1 24 24 GLY CA C 13 47.692 0.035 . 1 . 240 . . 24 GLY CA . 19525 1 274 . 1 1 24 24 GLY N N 15 104.724 0.017 . 1 . 244 . . 24 GLY N . 19525 1 275 . 1 1 25 25 GLU H H 1 8.334 0.005 . 1 . 249 . . 25 GLU H . 19525 1 276 . 1 1 25 25 GLU HA H 1 4.045 0.006 . 1 . 250 . . 25 GLU HA . 19525 1 277 . 1 1 25 25 GLU HB2 H 1 2.062 0.006 . 2 . 251 . . 25 GLU HB2 . 19525 1 278 . 1 1 25 25 GLU HB3 H 1 2.151 0.01 . 2 . 252 . . 25 GLU HB3 . 19525 1 279 . 1 1 25 25 GLU HG2 H 1 2.458 0.004 . 2 . 253 . . 25 GLU HG2 . 19525 1 280 . 1 1 25 25 GLU HG3 H 1 2.311 0.005 . 2 . 254 . . 25 GLU HG3 . 19525 1 281 . 1 1 25 25 GLU C C 13 179.898 0.01 . 1 . 245 . . 25 GLU C . 19525 1 282 . 1 1 25 25 GLU CA C 13 59.504 0.019 . 1 . 246 . . 25 GLU CA . 19525 1 283 . 1 1 25 25 GLU CB C 13 29.577 0.05 . 1 . 247 . . 25 GLU CB . 19525 1 284 . 1 1 25 25 GLU CG C 13 36.577 0.014 . 1 . 248 . . 25 GLU CG . 19525 1 285 . 1 1 25 25 GLU N N 15 120.962 0.016 . 1 . 255 . . 25 GLU N . 19525 1 286 . 1 1 26 26 ALA H H 1 7.939 0.008 . 1 . 259 . . 26 ALA H . 19525 1 287 . 1 1 26 26 ALA HA H 1 4.284 0.002 . 1 . 260 . . 26 ALA HA . 19525 1 288 . 1 1 26 26 ALA HB1 H 1 1.624 0.003 . 1 . 261 . . 26 ALA HB1 . 19525 1 289 . 1 1 26 26 ALA HB2 H 1 1.624 0.003 . 1 . 261 . . 26 ALA HB2 . 19525 1 290 . 1 1 26 26 ALA HB3 H 1 1.624 0.003 . 1 . 261 . . 26 ALA HB3 . 19525 1 291 . 1 1 26 26 ALA C C 13 179.100 0.01 . 1 . 256 . . 26 ALA C . 19525 1 292 . 1 1 26 26 ALA CA C 13 54.743 0.044 . 1 . 257 . . 26 ALA CA . 19525 1 293 . 1 1 26 26 ALA CB C 13 18.897 0.053 . 1 . 258 . . 26 ALA CB . 19525 1 294 . 1 1 26 26 ALA N N 15 121.172 0.01 . 1 . 262 . . 26 ALA N . 19525 1 295 . 1 1 27 27 PHE H H 1 7.994 0.007 . 1 . 271 . . 27 PHE H . 19525 1 296 . 1 1 27 27 PHE HA H 1 4.686 0.004 . 1 . 272 . . 27 PHE HA . 19525 1 297 . 1 1 27 27 PHE HB2 H 1 3.106 0.003 . 2 . 273 . . 27 PHE HB2 . 19525 1 298 . 1 1 27 27 PHE HB3 H 1 3.505 0.004 . 2 . 274 . . 27 PHE HB3 . 19525 1 299 . 1 1 27 27 PHE HD1 H 1 7.798 0.01 . 3 . 275 . . 27 PHE HD1 . 19525 1 300 . 1 1 27 27 PHE HD2 H 1 7.805 0.002 . 3 . 276 . . 27 PHE HD2 . 19525 1 301 . 1 1 27 27 PHE HE1 H 1 7.067 0.001 . 3 . 277 . . 27 PHE HE1 . 19525 1 302 . 1 1 27 27 PHE HE2 H 1 7.064 0.001 . 3 . 278 . . 27 PHE HE2 . 19525 1 303 . 1 1 27 27 PHE HZ H 1 7.465 0.001 . 1 . 279 . . 27 PHE HZ . 19525 1 304 . 1 1 27 27 PHE C C 13 177.238 0.01 . 1 . 263 . . 27 PHE C . 19525 1 305 . 1 1 27 27 PHE CA C 13 60.745 0.071 . 1 . 264 . . 27 PHE CA . 19525 1 306 . 1 1 27 27 PHE CB C 13 40.256 0.035 . 1 . 265 . . 27 PHE CB . 19525 1 307 . 1 1 27 27 PHE CD1 C 13 131.811 0.01 . 3 . 266 . . 27 PHE CD1 . 19525 1 308 . 1 1 27 27 PHE CD2 C 13 131.754 0.01 . 3 . 267 . . 27 PHE CD2 . 19525 1 309 . 1 1 27 27 PHE CE1 C 13 131.125 0.01 . 3 . 268 . . 27 PHE CE1 . 19525 1 310 . 1 1 27 27 PHE CE2 C 13 131.125 0.01 . 3 . 269 . . 27 PHE CE2 . 19525 1 311 . 1 1 27 27 PHE CZ C 13 129.621 0.01 . 1 . 270 . . 27 PHE CZ . 19525 1 312 . 1 1 27 27 PHE N N 15 114.485 0.01 . 1 . 280 . . 27 PHE N . 19525 1 313 . 1 1 28 28 SER H H 1 8.288 0.006 . 1 . 284 . . 28 SER H . 19525 1 314 . 1 1 28 28 SER HA H 1 4.708 0.004 . 1 . 285 . . 28 SER HA . 19525 1 315 . 1 1 28 28 SER HB2 H 1 4.130 0.006 . 2 . 286 . . 28 SER HB2 . 19525 1 316 . 1 1 28 28 SER HB3 H 1 4.186 0.006 . 2 . 287 . . 28 SER HB3 . 19525 1 317 . 1 1 28 28 SER C C 13 175.620 0.01 . 1 . 281 . . 28 SER C . 19525 1 318 . 1 1 28 28 SER CA C 13 61.480 0.033 . 1 . 282 . . 28 SER CA . 19525 1 319 . 1 1 28 28 SER CB C 13 63.092 0.069 . 1 . 283 . . 28 SER CB . 19525 1 320 . 1 1 28 28 SER N N 15 117.318 0.018 . 1 . 288 . . 28 SER N . 19525 1 321 . 1 1 29 29 GLN H H 1 7.585 0.001 . 1 . 294 . . 29 GLN H . 19525 1 322 . 1 1 29 29 GLN HA H 1 4.092 0.004 . 1 . 295 . . 29 GLN HA . 19525 1 323 . 1 1 29 29 GLN HB2 H 1 1.637 0.001 . 2 . 296 . . 29 GLN HB2 . 19525 1 324 . 1 1 29 29 GLN HB3 H 1 1.678 0.002 . 2 . 297 . . 29 GLN HB3 . 19525 1 325 . 1 1 29 29 GLN HG2 H 1 0.972 0.005 . 2 . 300 . . 29 GLN HG2 . 19525 1 326 . 1 1 29 29 GLN HG3 H 1 1.684 0.005 . 2 . 301 . . 29 GLN HG3 . 19525 1 327 . 1 1 29 29 GLN HE21 H 1 7.378 0.001 . 1 . 298 . . 29 GLN HE21 . 19525 1 328 . 1 1 29 29 GLN HE22 H 1 6.851 0.002 . 1 . 299 . . 29 GLN HE22 . 19525 1 329 . 1 1 29 29 GLN C C 13 176.393 0.01 . 1 . 289 . . 29 GLN C . 19525 1 330 . 1 1 29 29 GLN CA C 13 57.265 0.052 . 1 . 290 . . 29 GLN CA . 19525 1 331 . 1 1 29 29 GLN CB C 13 28.274 0.054 . 1 . 291 . . 29 GLN CB . 19525 1 332 . 1 1 29 29 GLN CG C 13 32.636 0.024 . 1 . 293 . . 29 GLN CG . 19525 1 333 . 1 1 29 29 GLN CD C 13 180.086 0.001 . 1 . 292 . . 29 GLN CD . 19525 1 334 . 1 1 29 29 GLN N N 15 118.153 0.013 . 1 . 302 . . 29 GLN N . 19525 1 335 . 1 1 29 29 GLN NE2 N 15 113.194 0.018 . 1 . 303 . . 29 GLN NE2 . 19525 1 336 . 1 1 30 30 PHE H H 1 7.683 0.006 . 1 . 309 . . 30 PHE H . 19525 1 337 . 1 1 30 30 PHE HA H 1 4.451 0.006 . 1 . 310 . . 30 PHE HA . 19525 1 338 . 1 1 30 30 PHE HB2 H 1 2.925 0.007 . 2 . 311 . . 30 PHE HB2 . 19525 1 339 . 1 1 30 30 PHE HB3 H 1 3.406 0.005 . 2 . 312 . . 30 PHE HB3 . 19525 1 340 . 1 1 30 30 PHE HD1 H 1 7.501 0.001 . 3 . 313 . . 30 PHE HD1 . 19525 1 341 . 1 1 30 30 PHE HD2 H 1 7.501 0.001 . 3 . 314 . . 30 PHE HD2 . 19525 1 342 . 1 1 30 30 PHE C C 13 174.773 0.01 . 1 . 304 . . 30 PHE C . 19525 1 343 . 1 1 30 30 PHE CA C 13 59.526 0.057 . 1 . 305 . . 30 PHE CA . 19525 1 344 . 1 1 30 30 PHE CB C 13 39.575 0.058 . 1 . 306 . . 30 PHE CB . 19525 1 345 . 1 1 30 30 PHE CD1 C 13 131.737 0.01 . 3 . 307 . . 30 PHE CD1 . 19525 1 346 . 1 1 30 30 PHE CD2 C 13 131.735 0.01 . 3 . 308 . . 30 PHE CD2 . 19525 1 347 . 1 1 30 30 PHE N N 15 116.522 0.017 . 1 . 315 . . 30 PHE N . 19525 1 348 . 1 1 31 31 GLY H H 1 7.458 0.005 . 1 . 318 . . 31 GLY H . 19525 1 349 . 1 1 31 31 GLY HA2 H 1 4.435 0.004 . 2 . 319 . . 31 GLY HA2 . 19525 1 350 . 1 1 31 31 GLY HA3 H 1 3.959 0.007 . 2 . 320 . . 31 GLY HA3 . 19525 1 351 . 1 1 31 31 GLY C C 13 170.618 0.01 . 1 . 316 . . 31 GLY C . 19525 1 352 . 1 1 31 31 GLY CA C 13 44.592 0.032 . 1 . 317 . . 31 GLY CA . 19525 1 353 . 1 1 31 31 GLY N N 15 105.157 0.009 . 1 . 321 . . 31 GLY N . 19525 1 354 . 1 1 32 32 GLU H H 1 8.186 0.005 . 1 . 326 . . 32 GLU H . 19525 1 355 . 1 1 32 32 GLU HA H 1 4.227 0.007 . 1 . 327 . . 32 GLU HA . 19525 1 356 . 1 1 32 32 GLU HB2 H 1 1.919 0.007 . 2 . 328 . . 32 GLU HB2 . 19525 1 357 . 1 1 32 32 GLU HB3 H 1 2.053 0.001 . 2 . 329 . . 32 GLU HB3 . 19525 1 358 . 1 1 32 32 GLU HG2 H 1 2.376 0.007 . 2 . 330 . . 32 GLU HG2 . 19525 1 359 . 1 1 32 32 GLU HG3 H 1 2.377 0.007 . 2 . 331 . . 32 GLU HG3 . 19525 1 360 . 1 1 32 32 GLU C C 13 176.583 0.01 . 1 . 322 . . 32 GLU C . 19525 1 361 . 1 1 32 32 GLU CA C 13 57.535 0.052 . 1 . 323 . . 32 GLU CA . 19525 1 362 . 1 1 32 32 GLU CB C 13 30.373 0.079 . 1 . 324 . . 32 GLU CB . 19525 1 363 . 1 1 32 32 GLU CG C 13 36.281 0.058 . 1 . 325 . . 32 GLU CG . 19525 1 364 . 1 1 32 32 GLU N N 15 117.248 0.005 . 1 . 332 . . 32 GLU N . 19525 1 365 . 1 1 33 33 ILE H H 1 8.641 0.002 . 1 . 339 . . 33 ILE H . 19525 1 366 . 1 1 33 33 ILE HA H 1 4.239 0.005 . 1 . 340 . . 33 ILE HA . 19525 1 367 . 1 1 33 33 ILE HB H 1 1.766 0.004 . 1 . 341 . . 33 ILE HB . 19525 1 368 . 1 1 33 33 ILE HG12 H 1 1.541 0.006 . 2 . 343 . . 33 ILE HG12 . 19525 1 369 . 1 1 33 33 ILE HG13 H 1 0.912 0.007 . 2 . 344 . . 33 ILE HG13 . 19525 1 370 . 1 1 33 33 ILE HG21 H 1 0.552 0.002 . 1 . 345 . . 33 ILE HG21 . 19525 1 371 . 1 1 33 33 ILE HG22 H 1 0.552 0.002 . 1 . 345 . . 33 ILE HG22 . 19525 1 372 . 1 1 33 33 ILE HG23 H 1 0.552 0.002 . 1 . 345 . . 33 ILE HG23 . 19525 1 373 . 1 1 33 33 ILE HD11 H 1 0.568 0.005 . 1 . 342 . . 33 ILE HD11 . 19525 1 374 . 1 1 33 33 ILE HD12 H 1 0.568 0.005 . 1 . 342 . . 33 ILE HD12 . 19525 1 375 . 1 1 33 33 ILE HD13 H 1 0.568 0.005 . 1 . 342 . . 33 ILE HD13 . 19525 1 376 . 1 1 33 33 ILE C C 13 176.897 0.01 . 1 . 333 . . 33 ILE C . 19525 1 377 . 1 1 33 33 ILE CA C 13 59.581 0.068 . 1 . 334 . . 33 ILE CA . 19525 1 378 . 1 1 33 33 ILE CB C 13 39.093 0.057 . 1 . 335 . . 33 ILE CB . 19525 1 379 . 1 1 33 33 ILE CG1 C 13 27.008 0.076 . 1 . 337 . . 33 ILE CG1 . 19525 1 380 . 1 1 33 33 ILE CG2 C 13 17.847 0.07 . 1 . 338 . . 33 ILE CG2 . 19525 1 381 . 1 1 33 33 ILE CD1 C 13 13.448 0.045 . 1 . 336 . . 33 ILE CD1 . 19525 1 382 . 1 1 33 33 ILE N N 15 125.997 0.025 . 1 . 346 . . 33 ILE N . 19525 1 383 . 1 1 34 34 LEU H H 1 8.916 0.005 . 1 . 353 . . 34 LEU H . 19525 1 384 . 1 1 34 34 LEU HA H 1 4.366 0.003 . 1 . 354 . . 34 LEU HA . 19525 1 385 . 1 1 34 34 LEU HB2 H 1 1.336 0.007 . 2 . 355 . . 34 LEU HB2 . 19525 1 386 . 1 1 34 34 LEU HB3 H 1 1.512 0.005 . 2 . 356 . . 34 LEU HB3 . 19525 1 387 . 1 1 34 34 LEU HG H 1 1.410 0.003 . 1 . 359 . . 34 LEU HG . 19525 1 388 . 1 1 34 34 LEU HD11 H 1 0.919 0.005 . 2 . 357 . . 34 LEU HD11 . 19525 1 389 . 1 1 34 34 LEU HD12 H 1 0.919 0.005 . 2 . 357 . . 34 LEU HD12 . 19525 1 390 . 1 1 34 34 LEU HD13 H 1 0.919 0.005 . 2 . 357 . . 34 LEU HD13 . 19525 1 391 . 1 1 34 34 LEU HD21 H 1 0.864 0.004 . 2 . 358 . . 34 LEU HD21 . 19525 1 392 . 1 1 34 34 LEU HD22 H 1 0.864 0.004 . 2 . 358 . . 34 LEU HD22 . 19525 1 393 . 1 1 34 34 LEU HD23 H 1 0.864 0.004 . 2 . 358 . . 34 LEU HD23 . 19525 1 394 . 1 1 34 34 LEU C C 13 176.848 0.01 . 1 . 347 . . 34 LEU C . 19525 1 395 . 1 1 34 34 LEU CA C 13 55.556 0.069 . 1 . 348 . . 34 LEU CA . 19525 1 396 . 1 1 34 34 LEU CB C 13 42.702 0.061 . 1 . 349 . . 34 LEU CB . 19525 1 397 . 1 1 34 34 LEU CG C 13 27.255 0.079 . 1 . 352 . . 34 LEU CG . 19525 1 398 . 1 1 34 34 LEU CD1 C 13 22.908 0.068 . 2 . 350 . . 34 LEU CD1 . 19525 1 399 . 1 1 34 34 LEU CD2 C 13 25.585 0.093 . 2 . 351 . . 34 LEU CD2 . 19525 1 400 . 1 1 34 34 LEU N N 15 126.303 0.019 . 1 . 360 . . 34 LEU N . 19525 1 401 . 1 1 35 35 ASP H H 1 7.385 0.006 . 1 . 364 . . 35 ASP H . 19525 1 402 . 1 1 35 35 ASP HA H 1 4.712 0.004 . 1 . 365 . . 35 ASP HA . 19525 1 403 . 1 1 35 35 ASP HB2 H 1 2.393 0.004 . 2 . 366 . . 35 ASP HB2 . 19525 1 404 . 1 1 35 35 ASP HB3 H 1 2.659 0.006 . 2 . 367 . . 35 ASP HB3 . 19525 1 405 . 1 1 35 35 ASP C C 13 173.520 0.01 . 1 . 361 . . 35 ASP C . 19525 1 406 . 1 1 35 35 ASP CA C 13 53.945 0.059 . 1 . 362 . . 35 ASP CA . 19525 1 407 . 1 1 35 35 ASP CB C 13 44.038 0.037 . 1 . 363 . . 35 ASP CB . 19525 1 408 . 1 1 35 35 ASP N N 15 115.725 0.008 . 1 . 368 . . 35 ASP N . 19525 1 409 . 1 1 36 36 SER H H 1 8.066 0.004 . 1 . 372 . . 36 SER H . 19525 1 410 . 1 1 36 36 SER HA H 1 4.885 0.001 . 1 . 373 . . 36 SER HA . 19525 1 411 . 1 1 36 36 SER HB2 H 1 3.529 0.001 . 2 . 374 . . 36 SER HB2 . 19525 1 412 . 1 1 36 36 SER HB3 H 1 3.605 0.002 . 2 . 375 . . 36 SER HB3 . 19525 1 413 . 1 1 36 36 SER C C 13 172.724 0.01 . 1 . 369 . . 36 SER C . 19525 1 414 . 1 1 36 36 SER CA C 13 57.233 0.019 . 1 . 370 . . 36 SER CA . 19525 1 415 . 1 1 36 36 SER CB C 13 64.548 0.011 . 1 . 371 . . 36 SER CB . 19525 1 416 . 1 1 36 36 SER N N 15 117.009 0.012 . 1 . 376 . . 36 SER N . 19525 1 417 . 1 1 37 37 LYS H H 1 8.402 0.006 . 1 . 383 . . 37 LYS H . 19525 1 418 . 1 1 37 37 LYS HA H 1 4.701 0.007 . 1 . 384 . . 37 LYS HA . 19525 1 419 . 1 1 37 37 LYS HB2 H 1 1.577 0.016 . 2 . 385 . . 37 LYS HB2 . 19525 1 420 . 1 1 37 37 LYS HB3 H 1 1.641 0.014 . 2 . 386 . . 37 LYS HB3 . 19525 1 421 . 1 1 37 37 LYS HG2 H 1 1.310 0.002 . 2 . 391 . . 37 LYS HG2 . 19525 1 422 . 1 1 37 37 LYS HG3 H 1 1.340 0.006 . 2 . 392 . . 37 LYS HG3 . 19525 1 423 . 1 1 37 37 LYS HD2 H 1 1.752 0.006 . 2 . 387 . . 37 LYS HD2 . 19525 1 424 . 1 1 37 37 LYS HD3 H 1 1.706 0.005 . 2 . 388 . . 37 LYS HD3 . 19525 1 425 . 1 1 37 37 LYS HE2 H 1 3.016 0.004 . 1 . 389 . . 37 LYS HE2 . 19525 1 426 . 1 1 37 37 LYS HE3 H 1 3.016 0.004 . 1 . 390 . . 37 LYS HE3 . 19525 1 427 . 1 1 37 37 LYS C C 13 174.221 0.01 . 1 . 377 . . 37 LYS C . 19525 1 428 . 1 1 37 37 LYS CA C 13 54.415 0.054 . 1 . 378 . . 37 LYS CA . 19525 1 429 . 1 1 37 37 LYS CB C 13 36.641 0.054 . 1 . 379 . . 37 LYS CB . 19525 1 430 . 1 1 37 37 LYS CG C 13 23.892 0.052 . 1 . 382 . . 37 LYS CG . 19525 1 431 . 1 1 37 37 LYS CD C 13 28.853 0.04 . 1 . 380 . . 37 LYS CD . 19525 1 432 . 1 1 37 37 LYS CE C 13 41.986 0.044 . 1 . 381 . . 37 LYS CE . 19525 1 433 . 1 1 37 37 LYS N N 15 123.535 0.008 . 1 . 393 . . 37 LYS N . 19525 1 434 . 1 1 38 38 ILE H H 1 8.514 0.005 . 1 . 400 . . 38 ILE H . 19525 1 435 . 1 1 38 38 ILE HA H 1 4.078 0.008 . 1 . 401 . . 38 ILE HA . 19525 1 436 . 1 1 38 38 ILE HB H 1 1.785 0.004 . 1 . 402 . . 38 ILE HB . 19525 1 437 . 1 1 38 38 ILE HG12 H 1 1.033 0.003 . 2 . 404 . . 38 ILE HG12 . 19525 1 438 . 1 1 38 38 ILE HG13 H 1 1.317 0.005 . 2 . 405 . . 38 ILE HG13 . 19525 1 439 . 1 1 38 38 ILE HG21 H 1 0.723 0.005 . 1 . 406 . . 38 ILE HG21 . 19525 1 440 . 1 1 38 38 ILE HG22 H 1 0.723 0.005 . 1 . 406 . . 38 ILE HG22 . 19525 1 441 . 1 1 38 38 ILE HG23 H 1 0.723 0.005 . 1 . 406 . . 38 ILE HG23 . 19525 1 442 . 1 1 38 38 ILE HD11 H 1 0.476 0.003 . 1 . 403 . . 38 ILE HD11 . 19525 1 443 . 1 1 38 38 ILE HD12 H 1 0.476 0.003 . 1 . 403 . . 38 ILE HD12 . 19525 1 444 . 1 1 38 38 ILE HD13 H 1 0.476 0.003 . 1 . 403 . . 38 ILE HD13 . 19525 1 445 . 1 1 38 38 ILE C C 13 176.047 0.01 . 1 . 394 . . 38 ILE C . 19525 1 446 . 1 1 38 38 ILE CA C 13 59.365 0.038 . 1 . 395 . . 38 ILE CA . 19525 1 447 . 1 1 38 38 ILE CB C 13 38.071 0.054 . 1 . 396 . . 38 ILE CB . 19525 1 448 . 1 1 38 38 ILE CG1 C 13 27.523 0.043 . 1 . 398 . . 38 ILE CG1 . 19525 1 449 . 1 1 38 38 ILE CG2 C 13 17.456 0.044 . 1 . 399 . . 38 ILE CG2 . 19525 1 450 . 1 1 38 38 ILE CD1 C 13 12.571 0.022 . 1 . 397 . . 38 ILE CD1 . 19525 1 451 . 1 1 38 38 ILE N N 15 123.485 0.029 . 1 . 407 . . 38 ILE N . 19525 1 452 . 1 1 39 39 ILE H H 1 8.332 0.005 . 1 . 414 . . 39 ILE H . 19525 1 453 . 1 1 39 39 ILE HA H 1 4.043 0.003 . 1 . 415 . . 39 ILE HA . 19525 1 454 . 1 1 39 39 ILE HB H 1 1.087 0.004 . 1 . 416 . . 39 ILE HB . 19525 1 455 . 1 1 39 39 ILE HG12 H 1 1.480 0.003 . 2 . 418 . . 39 ILE HG12 . 19525 1 456 . 1 1 39 39 ILE HG13 H 1 1.357 0.005 . 2 . 419 . . 39 ILE HG13 . 19525 1 457 . 1 1 39 39 ILE HG21 H 1 0.805 0.004 . 1 . 420 . . 39 ILE HG21 . 19525 1 458 . 1 1 39 39 ILE HG22 H 1 0.805 0.004 . 1 . 420 . . 39 ILE HG22 . 19525 1 459 . 1 1 39 39 ILE HG23 H 1 0.805 0.004 . 1 . 420 . . 39 ILE HG23 . 19525 1 460 . 1 1 39 39 ILE HD11 H 1 0.826 0.008 . 1 . 417 . . 39 ILE HD11 . 19525 1 461 . 1 1 39 39 ILE HD12 H 1 0.826 0.008 . 1 . 417 . . 39 ILE HD12 . 19525 1 462 . 1 1 39 39 ILE HD13 H 1 0.826 0.008 . 1 . 417 . . 39 ILE HD13 . 19525 1 463 . 1 1 39 39 ILE C C 13 173.993 0.01 . 1 . 408 . . 39 ILE C . 19525 1 464 . 1 1 39 39 ILE CA C 13 58.826 0.059 . 1 . 409 . . 39 ILE CA . 19525 1 465 . 1 1 39 39 ILE CB C 13 34.370 0.049 . 1 . 410 . . 39 ILE CB . 19525 1 466 . 1 1 39 39 ILE CG1 C 13 27.332 0.034 . 1 . 412 . . 39 ILE CG1 . 19525 1 467 . 1 1 39 39 ILE CG2 C 13 17.814 0.059 . 1 . 413 . . 39 ILE CG2 . 19525 1 468 . 1 1 39 39 ILE CD1 C 13 9.164 0.049 . 1 . 411 . . 39 ILE CD1 . 19525 1 469 . 1 1 39 39 ILE N N 15 127.310 0.02 . 1 . 421 . . 39 ILE N . 19525 1 470 . 1 1 40 40 ASN H H 1 8.292 0.003 . 1 . 426 . . 40 ASN H . 19525 1 471 . 1 1 40 40 ASN HA H 1 5.126 0.004 . 1 . 427 . . 40 ASN HA . 19525 1 472 . 1 1 40 40 ASN HB2 H 1 2.193 0.005 . 2 . 428 . . 40 ASN HB2 . 19525 1 473 . 1 1 40 40 ASN HB3 H 1 2.413 0.007 . 2 . 429 . . 40 ASN HB3 . 19525 1 474 . 1 1 40 40 ASN HD21 H 1 6.477 0.003 . 1 . 430 . . 40 ASN HD21 . 19525 1 475 . 1 1 40 40 ASN HD22 H 1 7.060 0.001 . 1 . 431 . . 40 ASN HD22 . 19525 1 476 . 1 1 40 40 ASN C C 13 175.622 0.01 . 1 . 422 . . 40 ASN C . 19525 1 477 . 1 1 40 40 ASN CA C 13 51.458 0.031 . 1 . 423 . . 40 ASN CA . 19525 1 478 . 1 1 40 40 ASN CB C 13 40.995 0.033 . 1 . 424 . . 40 ASN CB . 19525 1 479 . 1 1 40 40 ASN CG C 13 174.704 0.003 . 1 . 425 . . 40 ASN CG . 19525 1 480 . 1 1 40 40 ASN N N 15 124.118 0.011 . 1 . 432 . . 40 ASN N . 19525 1 481 . 1 1 40 40 ASN ND2 N 15 110.346 0.031 . 1 . 433 . . 40 ASN ND2 . 19525 1 482 . 1 1 41 41 ASP H H 1 8.906 0.004 . 1 . 437 . . 41 ASP H . 19525 1 483 . 1 1 41 41 ASP HA H 1 4.513 0.005 . 1 . 438 . . 41 ASP HA . 19525 1 484 . 1 1 41 41 ASP HB2 H 1 2.523 0.003 . 2 . 439 . . 41 ASP HB2 . 19525 1 485 . 1 1 41 41 ASP HB3 H 1 3.012 0.005 . 2 . 440 . . 41 ASP HB3 . 19525 1 486 . 1 1 41 41 ASP C C 13 177.461 0.01 . 1 . 434 . . 41 ASP C . 19525 1 487 . 1 1 41 41 ASP CA C 13 54.139 0.048 . 1 . 435 . . 41 ASP CA . 19525 1 488 . 1 1 41 41 ASP CB C 13 42.875 0.023 . 1 . 436 . . 41 ASP CB . 19525 1 489 . 1 1 41 41 ASP N N 15 122.643 0.028 . 1 . 441 . . 41 ASP N . 19525 1 490 . 1 1 42 42 ARG H H 1 9.006 0.001 . 1 . 447 . . 42 ARG H . 19525 1 491 . 1 1 42 42 ARG HA H 1 4.048 0.005 . 1 . 448 . . 42 ARG HA . 19525 1 492 . 1 1 42 42 ARG HB2 H 1 1.923 0.002 . 1 . 449 . . 42 ARG HB2 . 19525 1 493 . 1 1 42 42 ARG HB3 H 1 1.923 0.002 . 1 . 450 . . 42 ARG HB3 . 19525 1 494 . 1 1 42 42 ARG HG2 H 1 1.716 0.006 . 1 . 453 . . 42 ARG HG2 . 19525 1 495 . 1 1 42 42 ARG HG3 H 1 1.716 0.006 . 1 . 454 . . 42 ARG HG3 . 19525 1 496 . 1 1 42 42 ARG HD2 H 1 3.252 0.004 . 1 . 451 . . 42 ARG HD2 . 19525 1 497 . 1 1 42 42 ARG HD3 H 1 3.252 0.004 . 1 . 452 . . 42 ARG HD3 . 19525 1 498 . 1 1 42 42 ARG C C 13 177.426 0.01 . 1 . 442 . . 42 ARG C . 19525 1 499 . 1 1 42 42 ARG CA C 13 58.669 0.054 . 1 . 443 . . 42 ARG CA . 19525 1 500 . 1 1 42 42 ARG CB C 13 30.217 0.055 . 1 . 444 . . 42 ARG CB . 19525 1 501 . 1 1 42 42 ARG CG C 13 27.189 0.049 . 1 . 446 . . 42 ARG CG . 19525 1 502 . 1 1 42 42 ARG CD C 13 43.270 0.028 . 1 . 445 . . 42 ARG CD . 19525 1 503 . 1 1 42 42 ARG N N 15 127.644 0.02 . 1 . 455 . . 42 ARG N . 19525 1 504 . 1 1 43 43 GLU H H 1 8.599 0.004 . 1 . 460 . . 43 GLU H . 19525 1 505 . 1 1 43 43 GLU HA H 1 4.275 0.003 . 1 . 461 . . 43 GLU HA . 19525 1 506 . 1 1 43 43 GLU HB2 H 1 2.155 0.002 . 2 . 462 . . 43 GLU HB2 . 19525 1 507 . 1 1 43 43 GLU HB3 H 1 2.123 0.001 . 2 . 463 . . 43 GLU HB3 . 19525 1 508 . 1 1 43 43 GLU HG2 H 1 2.318 0.006 . 2 . 464 . . 43 GLU HG2 . 19525 1 509 . 1 1 43 43 GLU HG3 H 1 2.242 0.005 . 2 . 465 . . 43 GLU HG3 . 19525 1 510 . 1 1 43 43 GLU C C 13 178.375 0.01 . 1 . 456 . . 43 GLU C . 19525 1 511 . 1 1 43 43 GLU CA C 13 58.507 0.046 . 1 . 457 . . 43 GLU CA . 19525 1 512 . 1 1 43 43 GLU CB C 13 30.230 0.034 . 1 . 458 . . 43 GLU CB . 19525 1 513 . 1 1 43 43 GLU CG C 13 36.650 0.063 . 1 . 459 . . 43 GLU CG . 19525 1 514 . 1 1 43 43 GLU N N 15 117.753 0.003 . 1 . 466 . . 43 GLU N . 19525 1 515 . 1 1 44 44 THR H H 1 8.140 0.004 . 1 . 471 . . 44 THR H . 19525 1 516 . 1 1 44 44 THR HA H 1 4.396 0.008 . 1 . 472 . . 44 THR HA . 19525 1 517 . 1 1 44 44 THR HB H 1 4.304 0.004 . 1 . 473 . . 44 THR HB . 19525 1 518 . 1 1 44 44 THR HG21 H 1 1.213 0.004 . 1 . 474 . . 44 THR HG21 . 19525 1 519 . 1 1 44 44 THR HG22 H 1 1.213 0.004 . 1 . 474 . . 44 THR HG22 . 19525 1 520 . 1 1 44 44 THR HG23 H 1 1.213 0.004 . 1 . 474 . . 44 THR HG23 . 19525 1 521 . 1 1 44 44 THR C C 13 176.672 0.01 . 1 . 467 . . 44 THR C . 19525 1 522 . 1 1 44 44 THR CA C 13 61.862 0.056 . 1 . 468 . . 44 THR CA . 19525 1 523 . 1 1 44 44 THR CB C 13 71.054 0.034 . 1 . 469 . . 44 THR CB . 19525 1 524 . 1 1 44 44 THR CG2 C 13 21.180 0.05 . 1 . 470 . . 44 THR CG2 . 19525 1 525 . 1 1 44 44 THR N N 15 107.088 0.008 . 1 . 475 . . 44 THR N . 19525 1 526 . 1 1 45 45 GLY H H 1 8.253 0.005 . 1 . 478 . . 45 GLY H . 19525 1 527 . 1 1 45 45 GLY HA2 H 1 4.151 0.001 . 2 . 479 . . 45 GLY HA2 . 19525 1 528 . 1 1 45 45 GLY HA3 H 1 3.777 0.001 . 2 . 480 . . 45 GLY HA3 . 19525 1 529 . 1 1 45 45 GLY C C 13 173.625 0.01 . 1 . 476 . . 45 GLY C . 19525 1 530 . 1 1 45 45 GLY CA C 13 45.760 0.039 . 1 . 477 . . 45 GLY CA . 19525 1 531 . 1 1 45 45 GLY N N 15 111.038 0.008 . 1 . 481 . . 45 GLY N . 19525 1 532 . 1 1 46 46 ARG H H 1 7.720 0.005 . 1 . 487 . . 46 ARG H . 19525 1 533 . 1 1 46 46 ARG HA H 1 4.310 0.005 . 1 . 488 . . 46 ARG HA . 19525 1 534 . 1 1 46 46 ARG HB2 H 1 1.619 0.005 . 2 . 489 . . 46 ARG HB2 . 19525 1 535 . 1 1 46 46 ARG HB3 H 1 1.780 0.006 . 2 . 490 . . 46 ARG HB3 . 19525 1 536 . 1 1 46 46 ARG HG2 H 1 1.575 0.002 . 1 . 493 . . 46 ARG HG2 . 19525 1 537 . 1 1 46 46 ARG HG3 H 1 1.575 0.002 . 1 . 494 . . 46 ARG HG3 . 19525 1 538 . 1 1 46 46 ARG HD2 H 1 2.990 0.004 . 1 . 491 . . 46 ARG HD2 . 19525 1 539 . 1 1 46 46 ARG HD3 H 1 2.990 0.004 . 1 . 492 . . 46 ARG HD3 . 19525 1 540 . 1 1 46 46 ARG C C 13 175.931 0.01 . 1 . 482 . . 46 ARG C . 19525 1 541 . 1 1 46 46 ARG CA C 13 55.502 0.055 . 1 . 483 . . 46 ARG CA . 19525 1 542 . 1 1 46 46 ARG CB C 13 31.836 0.071 . 1 . 484 . . 46 ARG CB . 19525 1 543 . 1 1 46 46 ARG CG C 13 27.312 0.064 . 1 . 486 . . 46 ARG CG . 19525 1 544 . 1 1 46 46 ARG CD C 13 43.267 0.042 . 1 . 485 . . 46 ARG CD . 19525 1 545 . 1 1 46 46 ARG N N 15 119.437 0.014 . 1 . 495 . . 46 ARG N . 19525 1 546 . 1 1 47 47 SER H H 1 8.528 0.003 . 1 . 499 . . 47 SER H . 19525 1 547 . 1 1 47 47 SER HA H 1 4.572 0.004 . 1 . 500 . . 47 SER HA . 19525 1 548 . 1 1 47 47 SER HB2 H 1 3.868 0.005 . 2 . 501 . . 47 SER HB2 . 19525 1 549 . 1 1 47 47 SER HB3 H 1 4.159 0.005 . 2 . 502 . . 47 SER HB3 . 19525 1 550 . 1 1 47 47 SER C C 13 177.040 0.01 . 1 . 496 . . 47 SER C . 19525 1 551 . 1 1 47 47 SER CA C 13 58.399 0.08 . 1 . 497 . . 47 SER CA . 19525 1 552 . 1 1 47 47 SER CB C 13 64.626 0.034 . 1 . 498 . . 47 SER CB . 19525 1 553 . 1 1 47 47 SER N N 15 116.716 0.018 . 1 . 503 . . 47 SER N . 19525 1 554 . 1 1 48 48 ARG H H 1 9.233 0.003 . 1 . 509 . . 48 ARG H . 19525 1 555 . 1 1 48 48 ARG HA H 1 4.465 0.009 . 1 . 510 . . 48 ARG HA . 19525 1 556 . 1 1 48 48 ARG HB2 H 1 1.253 0.012 . 2 . 511 . . 48 ARG HB2 . 19525 1 557 . 1 1 48 48 ARG HB3 H 1 2.237 0.01 . 2 . 512 . . 48 ARG HB3 . 19525 1 558 . 1 1 48 48 ARG HG2 H 1 1.665 0.006 . 1 . 515 . . 48 ARG HG2 . 19525 1 559 . 1 1 48 48 ARG HG3 H 1 1.665 0.006 . 1 . 516 . . 48 ARG HG3 . 19525 1 560 . 1 1 48 48 ARG HD2 H 1 3.064 0.011 . 2 . 513 . . 48 ARG HD2 . 19525 1 561 . 1 1 48 48 ARG HD3 H 1 3.248 0.008 . 2 . 514 . . 48 ARG HD3 . 19525 1 562 . 1 1 48 48 ARG C C 13 177.659 0.01 . 1 . 504 . . 48 ARG C . 19525 1 563 . 1 1 48 48 ARG CA C 13 56.458 0.037 . 1 . 505 . . 48 ARG CA . 19525 1 564 . 1 1 48 48 ARG CB C 13 30.727 0.092 . 1 . 506 . . 48 ARG CB . 19525 1 565 . 1 1 48 48 ARG CG C 13 27.881 0.053 . 1 . 508 . . 48 ARG CG . 19525 1 566 . 1 1 48 48 ARG CD C 13 43.625 0.045 . 1 . 507 . . 48 ARG CD . 19525 1 567 . 1 1 48 48 ARG N N 15 124.042 0.031 . 1 . 517 . . 48 ARG N . 19525 1 568 . 1 1 49 49 GLY H H 1 9.363 0.003 . 1 . 520 . . 49 GLY H . 19525 1 569 . 1 1 49 49 GLY HA2 H 1 3.379 0.003 . 2 . 521 . . 49 GLY HA2 . 19525 1 570 . 1 1 49 49 GLY HA3 H 1 4.174 0.004 . 2 . 522 . . 49 GLY HA3 . 19525 1 571 . 1 1 49 49 GLY C C 13 172.006 0.01 . 1 . 518 . . 49 GLY C . 19525 1 572 . 1 1 49 49 GLY CA C 13 45.864 0.03 . 1 . 519 . . 49 GLY CA . 19525 1 573 . 1 1 49 49 GLY N N 15 107.937 0.019 . 1 . 523 . . 49 GLY N . 19525 1 574 . 1 1 50 50 PHE H H 1 7.175 0.007 . 1 . 531 . . 50 PHE H . 19525 1 575 . 1 1 50 50 PHE HA H 1 5.294 0.004 . 1 . 532 . . 50 PHE HA . 19525 1 576 . 1 1 50 50 PHE HB2 H 1 2.949 0.004 . 2 . 533 . . 50 PHE HB2 . 19525 1 577 . 1 1 50 50 PHE HB3 H 1 3.205 0.005 . 2 . 534 . . 50 PHE HB3 . 19525 1 578 . 1 1 50 50 PHE HD1 H 1 6.893 0.001 . 3 . 535 . . 50 PHE HD1 . 19525 1 579 . 1 1 50 50 PHE HD2 H 1 6.893 0.001 . 3 . 536 . . 50 PHE HD2 . 19525 1 580 . 1 1 50 50 PHE HE1 H 1 7.381 0.001 . 3 . 537 . . 50 PHE HE1 . 19525 1 581 . 1 1 50 50 PHE HE2 H 1 7.382 0.001 . 3 . 538 . . 50 PHE HE2 . 19525 1 582 . 1 1 50 50 PHE C C 13 172.407 0.01 . 1 . 524 . . 50 PHE C . 19525 1 583 . 1 1 50 50 PHE CA C 13 54.864 0.042 . 1 . 525 . . 50 PHE CA . 19525 1 584 . 1 1 50 50 PHE CB C 13 41.711 0.043 . 1 . 526 . . 50 PHE CB . 19525 1 585 . 1 1 50 50 PHE CD1 C 13 132.874 0.01 . 3 . 527 . . 50 PHE CD1 . 19525 1 586 . 1 1 50 50 PHE CD2 C 13 132.874 0.01 . 3 . 528 . . 50 PHE CD2 . 19525 1 587 . 1 1 50 50 PHE CE1 C 13 131.752 0.01 . 3 . 529 . . 50 PHE CE1 . 19525 1 588 . 1 1 50 50 PHE CE2 C 13 131.752 0.01 . 3 . 530 . . 50 PHE CE2 . 19525 1 589 . 1 1 50 50 PHE N N 15 113.110 0.024 . 1 . 539 . . 50 PHE N . 19525 1 590 . 1 1 51 51 GLY H H 1 8.858 0.006 . 1 . 542 . . 51 GLY H . 19525 1 591 . 1 1 51 51 GLY HA2 H 1 4.167 0.002 . 2 . 543 . . 51 GLY HA2 . 19525 1 592 . 1 1 51 51 GLY HA3 H 1 3.875 0.002 . 2 . 544 . . 51 GLY HA3 . 19525 1 593 . 1 1 51 51 GLY C C 13 169.877 0.01 . 1 . 540 . . 51 GLY C . 19525 1 594 . 1 1 51 51 GLY CA C 13 45.533 0.032 . 1 . 541 . . 51 GLY CA . 19525 1 595 . 1 1 51 51 GLY N N 15 106.174 0.018 . 1 . 545 . . 51 GLY N . 19525 1 596 . 1 1 52 52 PHE H H 1 8.684 0.006 . 1 . 551 . . 52 PHE H . 19525 1 597 . 1 1 52 52 PHE HA H 1 5.759 0.004 . 1 . 552 . . 52 PHE HA . 19525 1 598 . 1 1 52 52 PHE HB2 H 1 2.634 0.003 . 2 . 553 . . 52 PHE HB2 . 19525 1 599 . 1 1 52 52 PHE HB3 H 1 2.819 0.005 . 2 . 554 . . 52 PHE HB3 . 19525 1 600 . 1 1 52 52 PHE HD1 H 1 7.060 0.001 . 3 . 555 . . 52 PHE HD1 . 19525 1 601 . 1 1 52 52 PHE HD2 H 1 7.060 0.001 . 3 . 556 . . 52 PHE HD2 . 19525 1 602 . 1 1 52 52 PHE C C 13 175.340 0.01 . 1 . 546 . . 52 PHE C . 19525 1 603 . 1 1 52 52 PHE CA C 13 56.124 0.037 . 1 . 547 . . 52 PHE CA . 19525 1 604 . 1 1 52 52 PHE CB C 13 44.454 0.031 . 1 . 548 . . 52 PHE CB . 19525 1 605 . 1 1 52 52 PHE CD1 C 13 131.791 0.01 . 3 . 549 . . 52 PHE CD1 . 19525 1 606 . 1 1 52 52 PHE CD2 C 13 131.800 0.01 . 3 . 550 . . 52 PHE CD2 . 19525 1 607 . 1 1 52 52 PHE N N 15 113.588 0.017 . 1 . 557 . . 52 PHE N . 19525 1 608 . 1 1 53 53 VAL H H 1 8.445 0.005 . 1 . 563 . . 53 VAL H . 19525 1 609 . 1 1 53 53 VAL HA H 1 4.375 0.005 . 1 . 564 . . 53 VAL HA . 19525 1 610 . 1 1 53 53 VAL HB H 1 1.242 0.003 . 1 . 565 . . 53 VAL HB . 19525 1 611 . 1 1 53 53 VAL HG11 H 1 0.238 0.003 . 2 . 566 . . 53 VAL HG11 . 19525 1 612 . 1 1 53 53 VAL HG12 H 1 0.238 0.003 . 2 . 566 . . 53 VAL HG12 . 19525 1 613 . 1 1 53 53 VAL HG13 H 1 0.238 0.003 . 2 . 566 . . 53 VAL HG13 . 19525 1 614 . 1 1 53 53 VAL HG21 H 1 0.085 0.003 . 2 . 567 . . 53 VAL HG21 . 19525 1 615 . 1 1 53 53 VAL HG22 H 1 0.085 0.003 . 2 . 567 . . 53 VAL HG22 . 19525 1 616 . 1 1 53 53 VAL HG23 H 1 0.085 0.003 . 2 . 567 . . 53 VAL HG23 . 19525 1 617 . 1 1 53 53 VAL C C 13 174.177 0.01 . 1 . 558 . . 53 VAL C . 19525 1 618 . 1 1 53 53 VAL CA C 13 61.178 0.067 . 1 . 559 . . 53 VAL CA . 19525 1 619 . 1 1 53 53 VAL CB C 13 34.880 0.048 . 1 . 560 . . 53 VAL CB . 19525 1 620 . 1 1 53 53 VAL CG1 C 13 22.098 0.037 . 2 . 561 . . 53 VAL CG1 . 19525 1 621 . 1 1 53 53 VAL CG2 C 13 20.449 0.033 . 2 . 562 . . 53 VAL CG2 . 19525 1 622 . 1 1 53 53 VAL N N 15 121.034 0.015 . 1 . 568 . . 53 VAL N . 19525 1 623 . 1 1 54 54 THR H H 1 8.836 0.004 . 1 . 573 . . 54 THR H . 19525 1 624 . 1 1 54 54 THR HA H 1 4.996 0.003 . 1 . 574 . . 54 THR HA . 19525 1 625 . 1 1 54 54 THR HB H 1 3.877 0.004 . 1 . 575 . . 54 THR HB . 19525 1 626 . 1 1 54 54 THR HG21 H 1 1.210 0.005 . 1 . 576 . . 54 THR HG21 . 19525 1 627 . 1 1 54 54 THR HG22 H 1 1.210 0.005 . 1 . 576 . . 54 THR HG22 . 19525 1 628 . 1 1 54 54 THR HG23 H 1 1.210 0.005 . 1 . 576 . . 54 THR HG23 . 19525 1 629 . 1 1 54 54 THR C C 13 173.641 0.01 . 1 . 569 . . 54 THR C . 19525 1 630 . 1 1 54 54 THR CA C 13 61.663 0.035 . 1 . 570 . . 54 THR CA . 19525 1 631 . 1 1 54 54 THR CB C 13 69.398 0.059 . 1 . 571 . . 54 THR CB . 19525 1 632 . 1 1 54 54 THR CG2 C 13 22.935 0.063 . 1 . 572 . . 54 THR CG2 . 19525 1 633 . 1 1 54 54 THR N N 15 122.871 0.018 . 1 . 577 . . 54 THR N . 19525 1 634 . 1 1 55 55 PHE H H 1 9.328 0.005 . 1 . 585 . . 55 PHE H . 19525 1 635 . 1 1 55 55 PHE HA H 1 5.033 0.003 . 1 . 586 . . 55 PHE HA . 19525 1 636 . 1 1 55 55 PHE HB2 H 1 2.890 0.002 . 2 . 587 . . 55 PHE HB2 . 19525 1 637 . 1 1 55 55 PHE HB3 H 1 3.675 0.005 . 2 . 588 . . 55 PHE HB3 . 19525 1 638 . 1 1 55 55 PHE HD1 H 1 7.149 0.001 . 3 . 589 . . 55 PHE HD1 . 19525 1 639 . 1 1 55 55 PHE HD2 H 1 7.151 0.001 . 3 . 590 . . 55 PHE HD2 . 19525 1 640 . 1 1 55 55 PHE HE1 H 1 7.295 0.001 . 3 . 591 . . 55 PHE HE1 . 19525 1 641 . 1 1 55 55 PHE HE2 H 1 7.307 0.001 . 3 . 592 . . 55 PHE HE2 . 19525 1 642 . 1 1 55 55 PHE C C 13 173.872 0.01 . 1 . 578 . . 55 PHE C . 19525 1 643 . 1 1 55 55 PHE CA C 13 57.876 0.057 . 1 . 579 . . 55 PHE CA . 19525 1 644 . 1 1 55 55 PHE CB C 13 42.660 0.042 . 1 . 580 . . 55 PHE CB . 19525 1 645 . 1 1 55 55 PHE CD1 C 13 131.882 0.01 . 3 . 581 . . 55 PHE CD1 . 19525 1 646 . 1 1 55 55 PHE CD2 C 13 131.850 0.01 . 3 . 582 . . 55 PHE CD2 . 19525 1 647 . 1 1 55 55 PHE CE1 C 13 131.651 0.01 . 3 . 583 . . 55 PHE CE1 . 19525 1 648 . 1 1 55 55 PHE CE2 C 13 131.653 0.01 . 3 . 584 . . 55 PHE CE2 . 19525 1 649 . 1 1 55 55 PHE N N 15 126.352 0.011 . 1 . 593 . . 55 PHE N . 19525 1 650 . 1 1 56 56 LYS H H 1 8.481 0.005 . 1 . 600 . . 56 LYS H . 19525 1 651 . 1 1 56 56 LYS HA H 1 4.390 0.005 . 1 . 601 . . 56 LYS HA . 19525 1 652 . 1 1 56 56 LYS HB2 H 1 1.717 0.006 . 2 . 602 . . 56 LYS HB2 . 19525 1 653 . 1 1 56 56 LYS HB3 H 1 2.076 0.005 . 2 . 603 . . 56 LYS HB3 . 19525 1 654 . 1 1 56 56 LYS HG2 H 1 1.536 0.004 . 2 . 608 . . 56 LYS HG2 . 19525 1 655 . 1 1 56 56 LYS HG3 H 1 1.604 0.004 . 2 . 609 . . 56 LYS HG3 . 19525 1 656 . 1 1 56 56 LYS HD2 H 1 1.755 0.006 . 2 . 604 . . 56 LYS HD2 . 19525 1 657 . 1 1 56 56 LYS HD3 H 1 1.720 0.005 . 2 . 605 . . 56 LYS HD3 . 19525 1 658 . 1 1 56 56 LYS HE2 H 1 3.050 0.006 . 2 . 606 . . 56 LYS HE2 . 19525 1 659 . 1 1 56 56 LYS HE3 H 1 3.003 0.002 . 2 . 607 . . 56 LYS HE3 . 19525 1 660 . 1 1 56 56 LYS C C 13 175.902 0.01 . 1 . 594 . . 56 LYS C . 19525 1 661 . 1 1 56 56 LYS CA C 13 58.245 0.04 . 1 . 595 . . 56 LYS CA . 19525 1 662 . 1 1 56 56 LYS CB C 13 34.094 0.062 . 1 . 596 . . 56 LYS CB . 19525 1 663 . 1 1 56 56 LYS CG C 13 25.361 0.053 . 1 . 599 . . 56 LYS CG . 19525 1 664 . 1 1 56 56 LYS CD C 13 29.508 0.053 . 1 . 597 . . 56 LYS CD . 19525 1 665 . 1 1 56 56 LYS CE C 13 42.145 0.048 . 1 . 598 . . 56 LYS CE . 19525 1 666 . 1 1 56 56 LYS N N 15 119.454 0.03 . 1 . 610 . . 56 LYS N . 19525 1 667 . 1 1 57 57 ASP H H 1 8.222 0.002 . 1 . 614 . . 57 ASP H . 19525 1 668 . 1 1 57 57 ASP HA H 1 4.785 0.006 . 1 . 615 . . 57 ASP HA . 19525 1 669 . 1 1 57 57 ASP HB2 H 1 2.657 0.003 . 1 . 616 . . 57 ASP HB2 . 19525 1 670 . 1 1 57 57 ASP HB3 H 1 2.657 0.002 . 1 . 617 . . 57 ASP HB3 . 19525 1 671 . 1 1 57 57 ASP C C 13 174.229 0.01 . 1 . 611 . . 57 ASP C . 19525 1 672 . 1 1 57 57 ASP CA C 13 52.536 0.069 . 1 . 612 . . 57 ASP CA . 19525 1 673 . 1 1 57 57 ASP CB C 13 44.442 0.036 . 1 . 613 . . 57 ASP CB . 19525 1 674 . 1 1 57 57 ASP N N 15 115.733 0.01 . 1 . 618 . . 57 ASP N . 19525 1 675 . 1 1 58 58 GLU H H 1 7.878 0.004 . 1 . 623 . . 58 GLU H . 19525 1 676 . 1 1 58 58 GLU HA H 1 2.905 0.004 . 1 . 624 . . 58 GLU HA . 19525 1 677 . 1 1 58 58 GLU HB2 H 1 1.283 0.004 . 2 . 625 . . 58 GLU HB2 . 19525 1 678 . 1 1 58 58 GLU HB3 H 1 1.563 0.004 . 2 . 626 . . 58 GLU HB3 . 19525 1 679 . 1 1 58 58 GLU HG2 H 1 2.036 0.005 . 1 . 627 . . 58 GLU HG2 . 19525 1 680 . 1 1 58 58 GLU HG3 H 1 2.036 0.005 . 1 . 628 . . 58 GLU HG3 . 19525 1 681 . 1 1 58 58 GLU C C 13 177.646 0.01 . 1 . 619 . . 58 GLU C . 19525 1 682 . 1 1 58 58 GLU CA C 13 59.184 0.03 . 1 . 620 . . 58 GLU CA . 19525 1 683 . 1 1 58 58 GLU CB C 13 29.622 0.034 . 1 . 621 . . 58 GLU CB . 19525 1 684 . 1 1 58 58 GLU CG C 13 36.134 0.056 . 1 . 622 . . 58 GLU CG . 19525 1 685 . 1 1 58 58 GLU N N 15 123.552 0.012 . 1 . 629 . . 58 GLU N . 19525 1 686 . 1 1 59 59 LYS H H 1 8.155 0.003 . 1 . 636 . . 59 LYS H . 19525 1 687 . 1 1 59 59 LYS HA H 1 3.765 0.006 . 1 . 637 . . 59 LYS HA . 19525 1 688 . 1 1 59 59 LYS HB2 H 1 1.768 0.004 . 2 . 638 . . 59 LYS HB2 . 19525 1 689 . 1 1 59 59 LYS HB3 H 1 1.776 0.013 . 2 . 639 . . 59 LYS HB3 . 19525 1 690 . 1 1 59 59 LYS HG2 H 1 1.391 0.004 . 1 . 644 . . 59 LYS HG2 . 19525 1 691 . 1 1 59 59 LYS HG3 H 1 1.391 0.004 . 1 . 645 . . 59 LYS HG3 . 19525 1 692 . 1 1 59 59 LYS HD2 H 1 1.589 0.013 . 1 . 640 . . 59 LYS HD2 . 19525 1 693 . 1 1 59 59 LYS HD3 H 1 1.589 0.013 . 1 . 641 . . 59 LYS HD3 . 19525 1 694 . 1 1 59 59 LYS HE2 H 1 3.037 0.005 . 1 . 642 . . 59 LYS HE2 . 19525 1 695 . 1 1 59 59 LYS HE3 H 1 3.037 0.005 . 1 . 643 . . 59 LYS HE3 . 19525 1 696 . 1 1 59 59 LYS C C 13 177.470 0.01 . 1 . 630 . . 59 LYS C . 19525 1 697 . 1 1 59 59 LYS CA C 13 59.209 0.038 . 1 . 631 . . 59 LYS CA . 19525 1 698 . 1 1 59 59 LYS CB C 13 32.029 0.027 . 1 . 632 . . 59 LYS CB . 19525 1 699 . 1 1 59 59 LYS CG C 13 24.711 0.04 . 1 . 635 . . 59 LYS CG . 19525 1 700 . 1 1 59 59 LYS CD C 13 28.784 0.043 . 1 . 633 . . 59 LYS CD . 19525 1 701 . 1 1 59 59 LYS CE C 13 42.370 0.02 . 1 . 634 . . 59 LYS CE . 19525 1 702 . 1 1 59 59 LYS N N 15 118.681 0.028 . 1 . 646 . . 59 LYS N . 19525 1 703 . 1 1 60 60 ALA H H 1 7.152 0.008 . 1 . 650 . . 60 ALA H . 19525 1 704 . 1 1 60 60 ALA HA H 1 3.840 0.006 . 1 . 651 . . 60 ALA HA . 19525 1 705 . 1 1 60 60 ALA HB1 H 1 1.325 0.004 . 1 . 652 . . 60 ALA HB1 . 19525 1 706 . 1 1 60 60 ALA HB2 H 1 1.325 0.004 . 1 . 652 . . 60 ALA HB2 . 19525 1 707 . 1 1 60 60 ALA HB3 H 1 1.325 0.004 . 1 . 652 . . 60 ALA HB3 . 19525 1 708 . 1 1 60 60 ALA C C 13 177.859 0.01 . 1 . 647 . . 60 ALA C . 19525 1 709 . 1 1 60 60 ALA CA C 13 55.137 0.044 . 1 . 648 . . 60 ALA CA . 19525 1 710 . 1 1 60 60 ALA CB C 13 20.282 0.023 . 1 . 649 . . 60 ALA CB . 19525 1 711 . 1 1 60 60 ALA N N 15 120.064 0.008 . 1 . 653 . . 60 ALA N . 19525 1 712 . 1 1 61 61 MET H H 1 6.549 0.006 . 1 . 659 . . 61 MET H . 19525 1 713 . 1 1 61 61 MET HA H 1 3.032 0.003 . 1 . 660 . . 61 MET HA . 19525 1 714 . 1 1 61 61 MET HB2 H 1 1.808 0.014 . 2 . 661 . . 61 MET HB2 . 19525 1 715 . 1 1 61 61 MET HB3 H 1 2.317 0.008 . 2 . 662 . . 61 MET HB3 . 19525 1 716 . 1 1 61 61 MET HG2 H 1 2.558 0.005 . 2 . 664 . . 61 MET HG2 . 19525 1 717 . 1 1 61 61 MET HG3 H 1 2.175 0.006 . 2 . 665 . . 61 MET HG3 . 19525 1 718 . 1 1 61 61 MET HE1 H 1 2.136 0.001 . 1 . 663 . . 61 MET HE1 . 19525 1 719 . 1 1 61 61 MET HE2 H 1 2.136 0.001 . 1 . 663 . . 61 MET HE2 . 19525 1 720 . 1 1 61 61 MET HE3 H 1 2.136 0.001 . 1 . 663 . . 61 MET HE3 . 19525 1 721 . 1 1 61 61 MET C C 13 177.462 0.01 . 1 . 654 . . 61 MET C . 19525 1 722 . 1 1 61 61 MET CA C 13 58.806 0.022 . 1 . 655 . . 61 MET CA . 19525 1 723 . 1 1 61 61 MET CB C 13 32.144 0.046 . 1 . 656 . . 61 MET CB . 19525 1 724 . 1 1 61 61 MET CG C 13 31.470 0.058 . 1 . 658 . . 61 MET CG . 19525 1 725 . 1 1 61 61 MET CE C 13 16.893 0.01 . 1 . 657 . . 61 MET CE . 19525 1 726 . 1 1 61 61 MET N N 15 114.818 0.011 . 1 . 666 . . 61 MET N . 19525 1 727 . 1 1 62 62 ARG H H 1 8.267 0.004 . 1 . 672 . . 62 ARG H . 19525 1 728 . 1 1 62 62 ARG HA H 1 3.813 0.004 . 1 . 673 . . 62 ARG HA . 19525 1 729 . 1 1 62 62 ARG HB2 H 1 1.823 0.002 . 2 . 674 . . 62 ARG HB2 . 19525 1 730 . 1 1 62 62 ARG HB3 H 1 1.955 0.004 . 2 . 675 . . 62 ARG HB3 . 19525 1 731 . 1 1 62 62 ARG HG2 H 1 1.621 0.004 . 2 . 678 . . 62 ARG HG2 . 19525 1 732 . 1 1 62 62 ARG HG3 H 1 1.832 0.004 . 2 . 679 . . 62 ARG HG3 . 19525 1 733 . 1 1 62 62 ARG HD2 H 1 3.119 0.005 . 1 . 676 . . 62 ARG HD2 . 19525 1 734 . 1 1 62 62 ARG HD3 H 1 3.119 0.005 . 1 . 677 . . 62 ARG HD3 . 19525 1 735 . 1 1 62 62 ARG C C 13 179.615 0.01 . 1 . 667 . . 62 ARG C . 19525 1 736 . 1 1 62 62 ARG CA C 13 59.438 0.052 . 1 . 668 . . 62 ARG CA . 19525 1 737 . 1 1 62 62 ARG CB C 13 28.615 0.057 . 1 . 669 . . 62 ARG CB . 19525 1 738 . 1 1 62 62 ARG CG C 13 27.738 0.063 . 1 . 671 . . 62 ARG CG . 19525 1 739 . 1 1 62 62 ARG CD C 13 42.866 0.086 . 1 . 670 . . 62 ARG CD . 19525 1 740 . 1 1 62 62 ARG N N 15 117.736 0.033 . 1 . 680 . . 62 ARG N . 19525 1 741 . 1 1 63 63 ASP H H 1 8.831 0.004 . 1 . 684 . . 63 ASP H . 19525 1 742 . 1 1 63 63 ASP HA H 1 4.234 0.004 . 1 . 685 . . 63 ASP HA . 19525 1 743 . 1 1 63 63 ASP HB2 H 1 2.685 0.006 . 2 . 686 . . 63 ASP HB2 . 19525 1 744 . 1 1 63 63 ASP HB3 H 1 2.845 0.008 . 2 . 687 . . 63 ASP HB3 . 19525 1 745 . 1 1 63 63 ASP C C 13 178.720 0.01 . 1 . 681 . . 63 ASP C . 19525 1 746 . 1 1 63 63 ASP CA C 13 56.867 0.037 . 1 . 682 . . 63 ASP CA . 19525 1 747 . 1 1 63 63 ASP CB C 13 39.580 0.043 . 1 . 683 . . 63 ASP CB . 19525 1 748 . 1 1 63 63 ASP N N 15 121.418 0.022 . 1 . 688 . . 63 ASP N . 19525 1 749 . 1 1 64 64 ALA H H 1 8.060 0.005 . 1 . 692 . . 64 ALA H . 19525 1 750 . 1 1 64 64 ALA HA H 1 2.078 0.004 . 1 . 693 . . 64 ALA HA . 19525 1 751 . 1 1 64 64 ALA HB1 H 1 1.307 0.008 . 1 . 694 . . 64 ALA HB1 . 19525 1 752 . 1 1 64 64 ALA HB2 H 1 1.307 0.008 . 1 . 694 . . 64 ALA HB2 . 19525 1 753 . 1 1 64 64 ALA HB3 H 1 1.307 0.008 . 1 . 694 . . 64 ALA HB3 . 19525 1 754 . 1 1 64 64 ALA C C 13 179.159 0.01 . 1 . 689 . . 64 ALA C . 19525 1 755 . 1 1 64 64 ALA CA C 13 54.204 0.035 . 1 . 690 . . 64 ALA CA . 19525 1 756 . 1 1 64 64 ALA CB C 13 20.166 0.031 . 1 . 691 . . 64 ALA CB . 19525 1 757 . 1 1 64 64 ALA N N 15 125.406 0.024 . 1 . 695 . . 64 ALA N . 19525 1 758 . 1 1 65 65 ILE H H 1 7.954 0.004 . 1 . 702 . . 65 ILE H . 19525 1 759 . 1 1 65 65 ILE HA H 1 3.377 0.005 . 1 . 703 . . 65 ILE HA . 19525 1 760 . 1 1 65 65 ILE HB H 1 1.785 0.004 . 1 . 704 . . 65 ILE HB . 19525 1 761 . 1 1 65 65 ILE HG12 H 1 0.628 0.008 . 2 . 706 . . 65 ILE HG12 . 19525 1 762 . 1 1 65 65 ILE HG13 H 1 1.985 0.008 . 2 . 707 . . 65 ILE HG13 . 19525 1 763 . 1 1 65 65 ILE HG21 H 1 0.981 0.003 . 1 . 708 . . 65 ILE HG21 . 19525 1 764 . 1 1 65 65 ILE HG22 H 1 0.981 0.003 . 1 . 708 . . 65 ILE HG22 . 19525 1 765 . 1 1 65 65 ILE HG23 H 1 0.981 0.003 . 1 . 708 . . 65 ILE HG23 . 19525 1 766 . 1 1 65 65 ILE HD11 H 1 0.932 0.007 . 1 . 705 . . 65 ILE HD11 . 19525 1 767 . 1 1 65 65 ILE HD12 H 1 0.932 0.007 . 1 . 705 . . 65 ILE HD12 . 19525 1 768 . 1 1 65 65 ILE HD13 H 1 0.932 0.007 . 1 . 705 . . 65 ILE HD13 . 19525 1 769 . 1 1 65 65 ILE C C 13 178.032 0.01 . 1 . 696 . . 65 ILE C . 19525 1 770 . 1 1 65 65 ILE CA C 13 66.014 0.04 . 1 . 697 . . 65 ILE CA . 19525 1 771 . 1 1 65 65 ILE CB C 13 38.820 0.056 . 1 . 698 . . 65 ILE CB . 19525 1 772 . 1 1 65 65 ILE CG1 C 13 30.650 0.058 . 1 . 700 . . 65 ILE CG1 . 19525 1 773 . 1 1 65 65 ILE CG2 C 13 17.231 0.05 . 1 . 701 . . 65 ILE CG2 . 19525 1 774 . 1 1 65 65 ILE CD1 C 13 15.160 0.07 . 1 . 699 . . 65 ILE CD1 . 19525 1 775 . 1 1 65 65 ILE N N 15 118.842 0.016 . 1 . 709 . . 65 ILE N . 19525 1 776 . 1 1 66 66 GLU H H 1 7.535 0.006 . 1 . 714 . . 66 GLU H . 19525 1 777 . 1 1 66 66 GLU HA H 1 4.021 0.004 . 1 . 715 . . 66 GLU HA . 19525 1 778 . 1 1 66 66 GLU HB2 H 1 2.001 0.002 . 1 . 716 . . 66 GLU HB2 . 19525 1 779 . 1 1 66 66 GLU HB3 H 1 2.001 0.002 . 1 . 717 . . 66 GLU HB3 . 19525 1 780 . 1 1 66 66 GLU HG2 H 1 2.291 0.004 . 2 . 718 . . 66 GLU HG2 . 19525 1 781 . 1 1 66 66 GLU HG3 H 1 2.342 0.004 . 2 . 719 . . 66 GLU HG3 . 19525 1 782 . 1 1 66 66 GLU C C 13 179.342 0.01 . 1 . 710 . . 66 GLU C . 19525 1 783 . 1 1 66 66 GLU CA C 13 58.645 0.046 . 1 . 711 . . 66 GLU CA . 19525 1 784 . 1 1 66 66 GLU CB C 13 29.888 0.058 . 1 . 712 . . 66 GLU CB . 19525 1 785 . 1 1 66 66 GLU CG C 13 36.078 0.055 . 1 . 713 . . 66 GLU CG . 19525 1 786 . 1 1 66 66 GLU N N 15 116.426 0.008 . 1 . 720 . . 66 GLU N . 19525 1 787 . 1 1 67 67 GLY H H 1 8.281 0.006 . 1 . 723 . . 67 GLY H . 19525 1 788 . 1 1 67 67 GLY HA2 H 1 4.060 0.006 . 2 . 724 . . 67 GLY HA2 . 19525 1 789 . 1 1 67 67 GLY HA3 H 1 3.472 0.004 . 2 . 725 . . 67 GLY HA3 . 19525 1 790 . 1 1 67 67 GLY C C 13 174.943 0.01 . 1 . 721 . . 67 GLY C . 19525 1 791 . 1 1 67 67 GLY CA C 13 46.055 0.031 . 1 . 722 . . 67 GLY CA . 19525 1 792 . 1 1 67 67 GLY N N 15 104.513 0.016 . 1 . 726 . . 67 GLY N . 19525 1 793 . 1 1 68 68 MET H H 1 8.028 0.005 . 1 . 732 . . 68 MET H . 19525 1 794 . 1 1 68 68 MET HA H 1 4.915 0.003 . 1 . 733 . . 68 MET HA . 19525 1 795 . 1 1 68 68 MET HB2 H 1 1.818 0.003 . 2 . 734 . . 68 MET HB2 . 19525 1 796 . 1 1 68 68 MET HB3 H 1 1.962 0.006 . 2 . 735 . . 68 MET HB3 . 19525 1 797 . 1 1 68 68 MET HG2 H 1 1.627 0.002 . 2 . 737 . . 68 MET HG2 . 19525 1 798 . 1 1 68 68 MET HG3 H 1 2.069 0.002 . 2 . 738 . . 68 MET HG3 . 19525 1 799 . 1 1 68 68 MET HE1 H 1 2.105 0.001 . 1 . 736 . . 68 MET HE1 . 19525 1 800 . 1 1 68 68 MET HE2 H 1 2.105 0.001 . 1 . 736 . . 68 MET HE2 . 19525 1 801 . 1 1 68 68 MET HE3 H 1 2.105 0.001 . 1 . 736 . . 68 MET HE3 . 19525 1 802 . 1 1 68 68 MET C C 13 177.312 0.01 . 1 . 727 . . 68 MET C . 19525 1 803 . 1 1 68 68 MET CA C 13 53.414 0.043 . 1 . 728 . . 68 MET CA . 19525 1 804 . 1 1 68 68 MET CB C 13 33.565 0.051 . 1 . 729 . . 68 MET CB . 19525 1 805 . 1 1 68 68 MET CG C 13 32.966 0.075 . 1 . 731 . . 68 MET CG . 19525 1 806 . 1 1 68 68 MET CE C 13 16.940 0.01 . 1 . 730 . . 68 MET CE . 19525 1 807 . 1 1 68 68 MET N N 15 114.841 0.011 . 1 . 739 . . 68 MET N . 19525 1 808 . 1 1 69 69 ASN H H 1 7.589 0.005 . 1 . 744 . . 69 ASN H . 19525 1 809 . 1 1 69 69 ASN HA H 1 4.406 0.005 . 1 . 745 . . 69 ASN HA . 19525 1 810 . 1 1 69 69 ASN HB2 H 1 2.990 0.007 . 2 . 746 . . 69 ASN HB2 . 19525 1 811 . 1 1 69 69 ASN HB3 H 1 3.312 0.004 . 2 . 747 . . 69 ASN HB3 . 19525 1 812 . 1 1 69 69 ASN HD21 H 1 7.091 0.002 . 1 . 748 . . 69 ASN HD21 . 19525 1 813 . 1 1 69 69 ASN HD22 H 1 7.866 0.002 . 1 . 749 . . 69 ASN HD22 . 19525 1 814 . 1 1 69 69 ASN C C 13 176.819 0.01 . 1 . 740 . . 69 ASN C . 19525 1 815 . 1 1 69 69 ASN CA C 13 57.176 0.04 . 1 . 741 . . 69 ASN CA . 19525 1 816 . 1 1 69 69 ASN CB C 13 38.915 0.057 . 1 . 742 . . 69 ASN CB . 19525 1 817 . 1 1 69 69 ASN CG C 13 177.078 0.006 . 1 . 743 . . 69 ASN CG . 19525 1 818 . 1 1 69 69 ASN N N 15 116.830 0.012 . 1 . 750 . . 69 ASN N . 19525 1 819 . 1 1 69 69 ASN ND2 N 15 115.460 0.016 . 1 . 751 . . 69 ASN ND2 . 19525 1 820 . 1 1 70 70 GLY H H 1 9.147 0.004 . 1 . 754 . . 70 GLY H . 19525 1 821 . 1 1 70 70 GLY HA2 H 1 3.875 0.003 . 2 . 755 . . 70 GLY HA2 . 19525 1 822 . 1 1 70 70 GLY HA3 H 1 4.192 0.003 . 2 . 756 . . 70 GLY HA3 . 19525 1 823 . 1 1 70 70 GLY C C 13 174.410 0.01 . 1 . 752 . . 70 GLY C . 19525 1 824 . 1 1 70 70 GLY CA C 13 46.053 0.034 . 1 . 753 . . 70 GLY CA . 19525 1 825 . 1 1 70 70 GLY N N 15 117.454 0.012 . 1 . 757 . . 70 GLY N . 19525 1 826 . 1 1 71 71 GLN H H 1 7.789 0.005 . 1 . 763 . . 71 GLN H . 19525 1 827 . 1 1 71 71 GLN HA H 1 4.370 0.005 . 1 . 764 . . 71 GLN HA . 19525 1 828 . 1 1 71 71 GLN HB2 H 1 2.003 0.008 . 2 . 765 . . 71 GLN HB2 . 19525 1 829 . 1 1 71 71 GLN HB3 H 1 2.219 0.007 . 2 . 766 . . 71 GLN HB3 . 19525 1 830 . 1 1 71 71 GLN HG2 H 1 2.107 0.006 . 2 . 769 . . 71 GLN HG2 . 19525 1 831 . 1 1 71 71 GLN HG3 H 1 2.773 0.005 . 2 . 770 . . 71 GLN HG3 . 19525 1 832 . 1 1 71 71 GLN HE21 H 1 6.864 0.002 . 1 . 767 . . 71 GLN HE21 . 19525 1 833 . 1 1 71 71 GLN HE22 H 1 7.497 0.001 . 1 . 768 . . 71 GLN HE22 . 19525 1 834 . 1 1 71 71 GLN C C 13 174.211 0.01 . 1 . 758 . . 71 GLN C . 19525 1 835 . 1 1 71 71 GLN CA C 13 54.226 0.064 . 1 . 759 . . 71 GLN CA . 19525 1 836 . 1 1 71 71 GLN CB C 13 29.387 0.035 . 1 . 760 . . 71 GLN CB . 19525 1 837 . 1 1 71 71 GLN CG C 13 33.700 0.028 . 1 . 762 . . 71 GLN CG . 19525 1 838 . 1 1 71 71 GLN CD C 13 180.515 0.01 . 1 . 761 . . 71 GLN CD . 19525 1 839 . 1 1 71 71 GLN N N 15 119.319 0.015 . 1 . 771 . . 71 GLN N . 19525 1 840 . 1 1 71 71 GLN NE2 N 15 113.904 0.029 . 1 . 772 . . 71 GLN NE2 . 19525 1 841 . 1 1 72 72 ASP H H 1 8.179 0.003 . 1 . 776 . . 72 ASP H . 19525 1 842 . 1 1 72 72 ASP HA H 1 4.907 0.008 . 1 . 777 . . 72 ASP HA . 19525 1 843 . 1 1 72 72 ASP HB2 H 1 2.418 0.004 . 2 . 778 . . 72 ASP HB2 . 19525 1 844 . 1 1 72 72 ASP HB3 H 1 2.517 0.006 . 2 . 779 . . 72 ASP HB3 . 19525 1 845 . 1 1 72 72 ASP C C 13 176.476 0.01 . 1 . 773 . . 72 ASP C . 19525 1 846 . 1 1 72 72 ASP CA C 13 53.991 0.029 . 1 . 774 . . 72 ASP CA . 19525 1 847 . 1 1 72 72 ASP CB C 13 42.524 0.053 . 1 . 775 . . 72 ASP CB . 19525 1 848 . 1 1 72 72 ASP N N 15 118.980 0.018 . 1 . 780 . . 72 ASP N . 19525 1 849 . 1 1 73 73 LEU H H 1 9.089 0.004 . 1 . 787 . . 73 LEU H . 19525 1 850 . 1 1 73 73 LEU HA H 1 4.491 0.006 . 1 . 788 . . 73 LEU HA . 19525 1 851 . 1 1 73 73 LEU HB2 H 1 1.153 0.007 . 2 . 789 . . 73 LEU HB2 . 19525 1 852 . 1 1 73 73 LEU HB3 H 1 1.915 0.006 . 2 . 790 . . 73 LEU HB3 . 19525 1 853 . 1 1 73 73 LEU HG H 1 1.399 0.006 . 1 . 793 . . 73 LEU HG . 19525 1 854 . 1 1 73 73 LEU HD11 H 1 0.822 0.004 . 2 . 791 . . 73 LEU HD11 . 19525 1 855 . 1 1 73 73 LEU HD12 H 1 0.822 0.004 . 2 . 791 . . 73 LEU HD12 . 19525 1 856 . 1 1 73 73 LEU HD13 H 1 0.822 0.004 . 2 . 791 . . 73 LEU HD13 . 19525 1 857 . 1 1 73 73 LEU HD21 H 1 0.889 0.007 . 2 . 792 . . 73 LEU HD21 . 19525 1 858 . 1 1 73 73 LEU HD22 H 1 0.889 0.007 . 2 . 792 . . 73 LEU HD22 . 19525 1 859 . 1 1 73 73 LEU HD23 H 1 0.889 0.007 . 2 . 792 . . 73 LEU HD23 . 19525 1 860 . 1 1 73 73 LEU C C 13 176.402 0.01 . 1 . 781 . . 73 LEU C . 19525 1 861 . 1 1 73 73 LEU CA C 13 55.189 0.037 . 1 . 782 . . 73 LEU CA . 19525 1 862 . 1 1 73 73 LEU CB C 13 44.333 0.068 . 1 . 783 . . 73 LEU CB . 19525 1 863 . 1 1 73 73 LEU CG C 13 27.719 0.074 . 1 . 786 . . 73 LEU CG . 19525 1 864 . 1 1 73 73 LEU CD1 C 13 24.177 0.059 . 2 . 784 . . 73 LEU CD1 . 19525 1 865 . 1 1 73 73 LEU CD2 C 13 26.347 0.068 . 2 . 785 . . 73 LEU CD2 . 19525 1 866 . 1 1 73 73 LEU N N 15 127.095 0.011 . 1 . 794 . . 73 LEU N . 19525 1 867 . 1 1 74 74 ASP H H 1 9.453 0.002 . 1 . 798 . . 74 ASP H . 19525 1 868 . 1 1 74 74 ASP HA H 1 4.226 0.005 . 1 . 799 . . 74 ASP HA . 19525 1 869 . 1 1 74 74 ASP HB2 H 1 2.474 0.004 . 2 . 800 . . 74 ASP HB2 . 19525 1 870 . 1 1 74 74 ASP HB3 H 1 2.822 0.002 . 2 . 801 . . 74 ASP HB3 . 19525 1 871 . 1 1 74 74 ASP C C 13 174.949 0.01 . 1 . 795 . . 74 ASP C . 19525 1 872 . 1 1 74 74 ASP CA C 13 55.712 0.051 . 1 . 796 . . 74 ASP CA . 19525 1 873 . 1 1 74 74 ASP CB C 13 39.954 0.028 . 1 . 797 . . 74 ASP CB . 19525 1 874 . 1 1 74 74 ASP N N 15 126.275 0.013 . 1 . 802 . . 74 ASP N . 19525 1 875 . 1 1 75 75 GLY H H 1 8.494 0.006 . 1 . 805 . . 75 GLY H . 19525 1 876 . 1 1 75 75 GLY HA2 H 1 3.797 0.001 . 2 . 806 . . 75 GLY HA2 . 19525 1 877 . 1 1 75 75 GLY HA3 H 1 4.130 0.001 . 2 . 807 . . 75 GLY HA3 . 19525 1 878 . 1 1 75 75 GLY C C 13 174.654 0.01 . 1 . 803 . . 75 GLY C . 19525 1 879 . 1 1 75 75 GLY CA C 13 45.777 0.03 . 1 . 804 . . 75 GLY CA . 19525 1 880 . 1 1 75 75 GLY N N 15 103.491 0.012 . 1 . 808 . . 75 GLY N . 19525 1 881 . 1 1 76 76 ARG H H 1 7.413 0.006 . 1 . 814 . . 76 ARG H . 19525 1 882 . 1 1 76 76 ARG HA H 1 4.594 0.007 . 1 . 815 . . 76 ARG HA . 19525 1 883 . 1 1 76 76 ARG HB2 H 1 1.672 0.009 . 2 . 816 . . 76 ARG HB2 . 19525 1 884 . 1 1 76 76 ARG HB3 H 1 1.960 0.006 . 2 . 817 . . 76 ARG HB3 . 19525 1 885 . 1 1 76 76 ARG HG2 H 1 1.540 0.009 . 2 . 820 . . 76 ARG HG2 . 19525 1 886 . 1 1 76 76 ARG HG3 H 1 1.603 0.007 . 2 . 821 . . 76 ARG HG3 . 19525 1 887 . 1 1 76 76 ARG HD2 H 1 3.177 0.014 . 1 . 818 . . 76 ARG HD2 . 19525 1 888 . 1 1 76 76 ARG HD3 H 1 3.177 0.014 . 1 . 819 . . 76 ARG HD3 . 19525 1 889 . 1 1 76 76 ARG C C 13 174.877 0.01 . 1 . 809 . . 76 ARG C . 19525 1 890 . 1 1 76 76 ARG CA C 13 53.039 0.059 . 1 . 810 . . 76 ARG CA . 19525 1 891 . 1 1 76 76 ARG CB C 13 33.183 0.049 . 1 . 811 . . 76 ARG CB . 19525 1 892 . 1 1 76 76 ARG CG C 13 26.655 0.07 . 1 . 813 . . 76 ARG CG . 19525 1 893 . 1 1 76 76 ARG CD C 13 42.520 0.055 . 1 . 812 . . 76 ARG CD . 19525 1 894 . 1 1 76 76 ARG N N 15 119.227 0.007 . 1 . 822 . . 76 ARG N . 19525 1 895 . 1 1 77 77 ASN H H 1 8.481 0.002 . 1 . 827 . . 77 ASN H . 19525 1 896 . 1 1 77 77 ASN HA H 1 5.009 0.005 . 1 . 828 . . 77 ASN HA . 19525 1 897 . 1 1 77 77 ASN HB2 H 1 2.416 0.005 . 2 . 829 . . 77 ASN HB2 . 19525 1 898 . 1 1 77 77 ASN HB3 H 1 2.592 0.004 . 2 . 830 . . 77 ASN HB3 . 19525 1 899 . 1 1 77 77 ASN HD21 H 1 6.793 0.001 . 1 . 831 . . 77 ASN HD21 . 19525 1 900 . 1 1 77 77 ASN HD22 H 1 7.436 0.001 . 1 . 832 . . 77 ASN HD22 . 19525 1 901 . 1 1 77 77 ASN C C 13 175.759 0.01 . 1 . 823 . . 77 ASN C . 19525 1 902 . 1 1 77 77 ASN CA C 13 53.308 0.054 . 1 . 824 . . 77 ASN CA . 19525 1 903 . 1 1 77 77 ASN CB C 13 38.768 0.029 . 1 . 825 . . 77 ASN CB . 19525 1 904 . 1 1 77 77 ASN CG C 13 177.323 0.001 . 1 . 826 . . 77 ASN CG . 19525 1 905 . 1 1 77 77 ASN N N 15 119.625 0.055 . 1 . 833 . . 77 ASN N . 19525 1 906 . 1 1 77 77 ASN ND2 N 15 111.378 0.007 . 1 . 834 . . 77 ASN ND2 . 19525 1 907 . 1 1 78 78 ILE H H 1 8.361 0.005 . 1 . 841 . . 78 ILE H . 19525 1 908 . 1 1 78 78 ILE HA H 1 4.714 0.003 . 1 . 842 . . 78 ILE HA . 19525 1 909 . 1 1 78 78 ILE HB H 1 2.106 0.008 . 1 . 843 . . 78 ILE HB . 19525 1 910 . 1 1 78 78 ILE HG12 H 1 1.541 0.006 . 2 . 845 . . 78 ILE HG12 . 19525 1 911 . 1 1 78 78 ILE HG13 H 1 1.479 0.005 . 2 . 846 . . 78 ILE HG13 . 19525 1 912 . 1 1 78 78 ILE HG21 H 1 0.935 0.003 . 1 . 847 . . 78 ILE HG21 . 19525 1 913 . 1 1 78 78 ILE HG22 H 1 0.935 0.003 . 1 . 847 . . 78 ILE HG22 . 19525 1 914 . 1 1 78 78 ILE HG23 H 1 0.935 0.003 . 1 . 847 . . 78 ILE HG23 . 19525 1 915 . 1 1 78 78 ILE HD11 H 1 0.804 0.005 . 1 . 844 . . 78 ILE HD11 . 19525 1 916 . 1 1 78 78 ILE HD12 H 1 0.804 0.005 . 1 . 844 . . 78 ILE HD12 . 19525 1 917 . 1 1 78 78 ILE HD13 H 1 0.804 0.005 . 1 . 844 . . 78 ILE HD13 . 19525 1 918 . 1 1 78 78 ILE C C 13 175.785 0.01 . 1 . 835 . . 78 ILE C . 19525 1 919 . 1 1 78 78 ILE CA C 13 61.596 0.066 . 1 . 836 . . 78 ILE CA . 19525 1 920 . 1 1 78 78 ILE CB C 13 40.078 0.1 . 1 . 837 . . 78 ILE CB . 19525 1 921 . 1 1 78 78 ILE CG1 C 13 24.345 0.051 . 1 . 839 . . 78 ILE CG1 . 19525 1 922 . 1 1 78 78 ILE CG2 C 13 19.305 0.066 . 1 . 840 . . 78 ILE CG2 . 19525 1 923 . 1 1 78 78 ILE CD1 C 13 14.870 0.046 . 1 . 838 . . 78 ILE CD1 . 19525 1 924 . 1 1 78 78 ILE N N 15 121.591 0.018 . 1 . 848 . . 78 ILE N . 19525 1 925 . 1 1 79 79 THR H H 1 8.619 0.004 . 1 . 853 . . 79 THR H . 19525 1 926 . 1 1 79 79 THR HA H 1 4.926 0.003 . 1 . 854 . . 79 THR HA . 19525 1 927 . 1 1 79 79 THR HB H 1 3.959 0.003 . 1 . 855 . . 79 THR HB . 19525 1 928 . 1 1 79 79 THR HG21 H 1 1.280 0.004 . 1 . 856 . . 79 THR HG21 . 19525 1 929 . 1 1 79 79 THR HG22 H 1 1.280 0.004 . 1 . 856 . . 79 THR HG22 . 19525 1 930 . 1 1 79 79 THR HG23 H 1 1.280 0.004 . 1 . 856 . . 79 THR HG23 . 19525 1 931 . 1 1 79 79 THR C C 13 173.554 0.01 . 1 . 849 . . 79 THR C . 19525 1 932 . 1 1 79 79 THR CA C 13 60.724 0.051 . 1 . 850 . . 79 THR CA . 19525 1 933 . 1 1 79 79 THR CB C 13 71.262 0.033 . 1 . 851 . . 79 THR CB . 19525 1 934 . 1 1 79 79 THR CG2 C 13 21.243 0.025 . 1 . 852 . . 79 THR CG2 . 19525 1 935 . 1 1 79 79 THR N N 15 116.952 0.023 . 1 . 857 . . 79 THR N . 19525 1 936 . 1 1 80 80 VAL H H 1 8.805 0.005 . 1 . 863 . . 80 VAL H . 19525 1 937 . 1 1 80 80 VAL HA H 1 5.393 0.002 . 1 . 864 . . 80 VAL HA . 19525 1 938 . 1 1 80 80 VAL HB H 1 1.957 0.004 . 1 . 865 . . 80 VAL HB . 19525 1 939 . 1 1 80 80 VAL HG11 H 1 1.095 0.001 . 2 . 866 . . 80 VAL HG11 . 19525 1 940 . 1 1 80 80 VAL HG12 H 1 1.095 0.001 . 2 . 866 . . 80 VAL HG12 . 19525 1 941 . 1 1 80 80 VAL HG13 H 1 1.095 0.001 . 2 . 866 . . 80 VAL HG13 . 19525 1 942 . 1 1 80 80 VAL HG21 H 1 1.103 0.004 . 2 . 867 . . 80 VAL HG21 . 19525 1 943 . 1 1 80 80 VAL HG22 H 1 1.103 0.004 . 2 . 867 . . 80 VAL HG22 . 19525 1 944 . 1 1 80 80 VAL HG23 H 1 1.103 0.004 . 2 . 867 . . 80 VAL HG23 . 19525 1 945 . 1 1 80 80 VAL C C 13 174.275 0.01 . 1 . 858 . . 80 VAL C . 19525 1 946 . 1 1 80 80 VAL CA C 13 60.544 0.04 . 1 . 859 . . 80 VAL CA . 19525 1 947 . 1 1 80 80 VAL CB C 13 35.160 0.038 . 1 . 860 . . 80 VAL CB . 19525 1 948 . 1 1 80 80 VAL CG1 C 13 23.342 0.003 . 2 . 861 . . 80 VAL CG1 . 19525 1 949 . 1 1 80 80 VAL CG2 C 13 22.868 0.007 . 2 . 862 . . 80 VAL CG2 . 19525 1 950 . 1 1 80 80 VAL N N 15 123.770 0.021 . 1 . 868 . . 80 VAL N . 19525 1 951 . 1 1 81 81 ASN H H 1 8.920 0.007 . 1 . 873 . . 81 ASN H . 19525 1 952 . 1 1 81 81 ASN HA H 1 4.960 0.004 . 1 . 874 . . 81 ASN HA . 19525 1 953 . 1 1 81 81 ASN HB2 H 1 2.844 0.003 . 2 . 875 . . 81 ASN HB2 . 19525 1 954 . 1 1 81 81 ASN HB3 H 1 2.978 0.002 . 2 . 876 . . 81 ASN HB3 . 19525 1 955 . 1 1 81 81 ASN HD21 H 1 7.348 0.001 . 1 . 877 . . 81 ASN HD21 . 19525 1 956 . 1 1 81 81 ASN HD22 H 1 6.699 0.001 . 1 . 878 . . 81 ASN HD22 . 19525 1 957 . 1 1 81 81 ASN C C 13 173.738 0.01 . 1 . 869 . . 81 ASN C . 19525 1 958 . 1 1 81 81 ASN CA C 13 52.185 0.035 . 1 . 870 . . 81 ASN CA . 19525 1 959 . 1 1 81 81 ASN CB C 13 42.350 0.044 . 1 . 871 . . 81 ASN CB . 19525 1 960 . 1 1 81 81 ASN CG C 13 175.681 0.001 . 1 . 872 . . 81 ASN CG . 19525 1 961 . 1 1 81 81 ASN N N 15 120.949 0.021 . 1 . 879 . . 81 ASN N . 19525 1 962 . 1 1 81 81 ASN ND2 N 15 111.943 0.005 . 1 . 880 . . 81 ASN ND2 . 19525 1 963 . 1 1 82 82 GLU H H 1 9.233 0.005 . 1 . 885 . . 82 GLU H . 19525 1 964 . 1 1 82 82 GLU HA H 1 4.391 0.005 . 1 . 886 . . 82 GLU HA . 19525 1 965 . 1 1 82 82 GLU HB2 H 1 2.105 0.014 . 2 . 887 . . 82 GLU HB2 . 19525 1 966 . 1 1 82 82 GLU HB3 H 1 2.051 0.003 . 2 . 888 . . 82 GLU HB3 . 19525 1 967 . 1 1 82 82 GLU HG2 H 1 2.624 0.007 . 2 . 889 . . 82 GLU HG2 . 19525 1 968 . 1 1 82 82 GLU HG3 H 1 2.478 0.009 . 2 . 890 . . 82 GLU HG3 . 19525 1 969 . 1 1 82 82 GLU C C 13 176.172 0.01 . 1 . 881 . . 82 GLU C . 19525 1 970 . 1 1 82 82 GLU CA C 13 57.989 0.043 . 1 . 882 . . 82 GLU CA . 19525 1 971 . 1 1 82 82 GLU CB C 13 30.104 0.083 . 1 . 883 . . 82 GLU CB . 19525 1 972 . 1 1 82 82 GLU CG C 13 36.199 0.039 . 1 . 884 . . 82 GLU CG . 19525 1 973 . 1 1 82 82 GLU N N 15 122.731 0.014 . 1 . 891 . . 82 GLU N . 19525 1 974 . 1 1 83 83 ALA H H 1 8.797 0.003 . 1 . 895 . . 83 ALA H . 19525 1 975 . 1 1 83 83 ALA HA H 1 4.506 0.003 . 1 . 896 . . 83 ALA HA . 19525 1 976 . 1 1 83 83 ALA HB1 H 1 1.483 0.003 . 1 . 897 . . 83 ALA HB1 . 19525 1 977 . 1 1 83 83 ALA HB2 H 1 1.483 0.003 . 1 . 897 . . 83 ALA HB2 . 19525 1 978 . 1 1 83 83 ALA HB3 H 1 1.483 0.003 . 1 . 897 . . 83 ALA HB3 . 19525 1 979 . 1 1 83 83 ALA C C 13 177.140 0.01 . 1 . 892 . . 83 ALA C . 19525 1 980 . 1 1 83 83 ALA CA C 13 52.517 0.036 . 1 . 893 . . 83 ALA CA . 19525 1 981 . 1 1 83 83 ALA CB C 13 19.650 0.065 . 1 . 894 . . 83 ALA CB . 19525 1 982 . 1 1 83 83 ALA N N 15 128.802 0.025 . 1 . 898 . . 83 ALA N . 19525 1 983 . 1 1 84 84 GLN H H 1 8.735 0.002 . 1 . 904 . . 84 GLN H . 19525 1 984 . 1 1 84 84 GLN HA H 1 4.373 0.009 . 1 . 905 . . 84 GLN HA . 19525 1 985 . 1 1 84 84 GLN HB2 H 1 1.984 0.006 . 2 . 906 . . 84 GLN HB2 . 19525 1 986 . 1 1 84 84 GLN HB3 H 1 2.120 0.006 . 2 . 907 . . 84 GLN HB3 . 19525 1 987 . 1 1 84 84 GLN HG2 H 1 2.384 0.011 . 1 . 910 . . 84 GLN HG2 . 19525 1 988 . 1 1 84 84 GLN HG3 H 1 2.384 0.011 . 1 . 911 . . 84 GLN HG3 . 19525 1 989 . 1 1 84 84 GLN HE21 H 1 7.377 0.001 . 1 . 908 . . 84 GLN HE21 . 19525 1 990 . 1 1 84 84 GLN HE22 H 1 6.852 0.001 . 1 . 909 . . 84 GLN HE22 . 19525 1 991 . 1 1 84 84 GLN C C 13 176.054 0.01 . 1 . 899 . . 84 GLN C . 19525 1 992 . 1 1 84 84 GLN CA C 13 55.851 0.046 . 1 . 900 . . 84 GLN CA . 19525 1 993 . 1 1 84 84 GLN CB C 13 29.749 0.059 . 1 . 901 . . 84 GLN CB . 19525 1 994 . 1 1 84 84 GLN CG C 13 33.891 0.019 . 1 . 903 . . 84 GLN CG . 19525 1 995 . 1 1 84 84 GLN CD C 13 180.562 0.001 . 1 . 902 . . 84 GLN CD . 19525 1 996 . 1 1 84 84 GLN N N 15 120.743 0.01 . 1 . 912 . . 84 GLN N . 19525 1 997 . 1 1 84 84 GLN NE2 N 15 112.684 0.01 . 1 . 913 . . 84 GLN NE2 . 19525 1 998 . 1 1 85 85 SER H H 1 8.478 0.003 . 1 . 917 . . 85 SER H . 19525 1 999 . 1 1 85 85 SER HA H 1 4.407 0.009 . 1 . 918 . . 85 SER HA . 19525 1 1000 . 1 1 85 85 SER HB2 H 1 3.868 0.007 . 1 . 919 . . 85 SER HB2 . 19525 1 1001 . 1 1 85 85 SER HB3 H 1 3.868 0.007 . 1 . 920 . . 85 SER HB3 . 19525 1 1002 . 1 1 85 85 SER C C 13 173.601 0.01 . 1 . 914 . . 85 SER C . 19525 1 1003 . 1 1 85 85 SER CA C 13 58.531 0.029 . 1 . 915 . . 85 SER CA . 19525 1 1004 . 1 1 85 85 SER CB C 13 63.886 0.015 . 1 . 916 . . 85 SER CB . 19525 1 1005 . 1 1 85 85 SER N N 15 118.219 0.014 . 1 . 921 . . 85 SER N . 19525 1 1006 . 1 1 86 86 ARG H H 1 8.069 0.001 . 1 . 926 . . 86 ARG H . 19525 1 1007 . 1 1 86 86 ARG HA H 1 4.128 0.005 . 1 . 927 . . 86 ARG HA . 19525 1 1008 . 1 1 86 86 ARG HB2 H 1 1.790 0.005 . 2 . 928 . . 86 ARG HB2 . 19525 1 1009 . 1 1 86 86 ARG HB3 H 1 1.673 0.004 . 2 . 929 . . 86 ARG HB3 . 19525 1 1010 . 1 1 86 86 ARG HG2 H 1 1.529 0.002 . 2 . 932 . . 86 ARG HG2 . 19525 1 1011 . 1 1 86 86 ARG HG3 H 1 1.606 0.002 . 2 . 933 . . 86 ARG HG3 . 19525 1 1012 . 1 1 86 86 ARG HD2 H 1 3.090 0.005 . 2 . 930 . . 86 ARG HD2 . 19525 1 1013 . 1 1 86 86 ARG HD3 H 1 3.201 0.002 . 2 . 931 . . 86 ARG HD3 . 19525 1 1014 . 1 1 86 86 ARG CA C 13 57.563 0.033 . 1 . 922 . . 86 ARG CA . 19525 1 1015 . 1 1 86 86 ARG CB C 13 31.470 0.024 . 1 . 923 . . 86 ARG CB . 19525 1 1016 . 1 1 86 86 ARG CG C 13 27.172 0.006 . 1 . 925 . . 86 ARG CG . 19525 1 1017 . 1 1 86 86 ARG CD C 13 43.485 0.027 . 1 . 924 . . 86 ARG CD . 19525 1 1018 . 1 1 86 86 ARG N N 15 127.856 0.005 . 1 . 934 . . 86 ARG N . 19525 1 stop_ save_