data_19643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19643 _Entry.Title ; NMR Solution State Structure of the PSD-95 PDZ1 - 5-HT2c Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-29 _Entry.Accession_date 2013-11-29 _Entry.Last_release_date 2014-02-04 _Entry.Original_release_date 2014-02-04 _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 'The structure of the PSD-95 PDZ1 domain bound to a nine residue peptide of the 5-hydroxytryptamine receptor variant 2c C-terminus (VVSERISSV)' _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 Liam Dorr . A. . 19643 2 Marie Phelan . M. . 19643 3 Lu-Yun Lian . . . 19643 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' . 19643 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '5-hydroxytryptamine receptor fragment' . 19643 complex . 19643 'NMR solution state structure' . 19643 PDZ . 19643 PSD-95 . 19643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 19643 '15N chemical shifts' 90 19643 '1H chemical shifts' 665 19643 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 . . 2014-02-04 2013-11-29 original author . 19643 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHO 'BMRB Entry Tracking System' 19643 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19643 _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 'Interactions of the 5-Hydroxytryptamine Receptor 2a and 2c Variants with the PSD-MAGUK proteins, PSD-95 and SAP997' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Liam Dorr . A. . 19643 1 2 Marie Phelan . M. . 19643 1 3 Lu-Yun Lian . . . 19643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19643 _Assembly.ID 1 _Assembly.Name '5-Hydroxytryptamine Receptor 2a and 2c Variants with PSD-95 and SAP997' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 entity_1 1 $entity_1 A . yes native no no . . . 19643 1 2 entity_2 2 $entity_2 B . yes native no no . . . 19643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMEMEYEEITLERGNSGLG FSIAGGTDNPHIGDDPSIFI TKIIPGGAAAQDGRLRVNDS ILFVNEVDVREVTHSAAVEA LKEAGSIVRLYVMRRKPPA ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10622.056 _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 no PDB 1IU0 . "The First Pdz Domain Of Psd-95" . . . . . 91.92 91 100.00 100.00 3.05e-57 . . . . 19643 1 2 no PDB 1IU2 . "The First Pdz Domain Of Psd-95" . . . . . 91.92 91 100.00 100.00 3.05e-57 . . . . 19643 1 3 no PDB 1KEF . "Pdz1 Of Sap90" . . . . . 93.94 93 100.00 100.00 5.68e-59 . . . . 19643 1 4 no PDB 1RGR . "Cyclic Peptides Targeting Pdz Domains Of Psd-95: Structural Basis For Enhanced Affinity And Enzymatic Stability" . . . . . 93.94 99 100.00 100.00 4.35e-59 . . . . 19643 1 5 no PDB 2MHO . "Solution State Structure Psd-95 Pdz1 With 5ht2c Receptor Peptide" . . . . . 100.00 99 100.00 100.00 1.34e-63 . . . . 19643 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 1 GLY . 19643 1 2 2 ALA . 19643 1 3 3 MET . 19643 1 4 4 GLU . 19643 1 5 5 MET . 19643 1 6 6 GLU . 19643 1 7 7 TYR . 19643 1 8 8 GLU . 19643 1 9 9 GLU . 19643 1 10 10 ILE . 19643 1 11 11 THR . 19643 1 12 12 LEU . 19643 1 13 13 GLU . 19643 1 14 14 ARG . 19643 1 15 15 GLY . 19643 1 16 16 ASN . 19643 1 17 17 SER . 19643 1 18 18 GLY . 19643 1 19 19 LEU . 19643 1 20 20 GLY . 19643 1 21 21 PHE . 19643 1 22 22 SER . 19643 1 23 23 ILE . 19643 1 24 24 ALA . 19643 1 25 25 GLY . 19643 1 26 26 GLY . 19643 1 27 27 THR . 19643 1 28 28 ASP . 19643 1 29 29 ASN . 19643 1 30 30 PRO . 19643 1 31 31 HIS . 19643 1 32 32 ILE . 19643 1 33 33 GLY . 19643 1 34 34 ASP . 19643 1 35 35 ASP . 19643 1 36 36 PRO . 19643 1 37 37 SER . 19643 1 38 38 ILE . 19643 1 39 39 PHE . 19643 1 40 40 ILE . 19643 1 41 41 THR . 19643 1 42 42 LYS . 19643 1 43 43 ILE . 19643 1 44 44 ILE . 19643 1 45 45 PRO . 19643 1 46 46 GLY . 19643 1 47 47 GLY . 19643 1 48 48 ALA . 19643 1 49 49 ALA . 19643 1 50 50 ALA . 19643 1 51 51 GLN . 19643 1 52 52 ASP . 19643 1 53 53 GLY . 19643 1 54 54 ARG . 19643 1 55 55 LEU . 19643 1 56 56 ARG . 19643 1 57 57 VAL . 19643 1 58 58 ASN . 19643 1 59 59 ASP . 19643 1 60 60 SER . 19643 1 61 61 ILE . 19643 1 62 62 LEU . 19643 1 63 63 PHE . 19643 1 64 64 VAL . 19643 1 65 65 ASN . 19643 1 66 66 GLU . 19643 1 67 67 VAL . 19643 1 68 68 ASP . 19643 1 69 69 VAL . 19643 1 70 70 ARG . 19643 1 71 71 GLU . 19643 1 72 72 VAL . 19643 1 73 73 THR . 19643 1 74 74 HIS . 19643 1 75 75 SER . 19643 1 76 76 ALA . 19643 1 77 77 ALA . 19643 1 78 78 VAL . 19643 1 79 79 GLU . 19643 1 80 80 ALA . 19643 1 81 81 LEU . 19643 1 82 82 LYS . 19643 1 83 83 GLU . 19643 1 84 84 ALA . 19643 1 85 85 GLY . 19643 1 86 86 SER . 19643 1 87 87 ILE . 19643 1 88 88 VAL . 19643 1 89 89 ARG . 19643 1 90 90 LEU . 19643 1 91 91 TYR . 19643 1 92 92 VAL . 19643 1 93 93 MET . 19643 1 94 94 ARG . 19643 1 95 95 ARG . 19643 1 96 96 LYS . 19643 1 97 97 PRO . 19643 1 98 98 PRO . 19643 1 99 99 ALA . 19643 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 19643 1 . ALA 2 2 19643 1 . MET 3 3 19643 1 . GLU 4 4 19643 1 . MET 5 5 19643 1 . GLU 6 6 19643 1 . TYR 7 7 19643 1 . GLU 8 8 19643 1 . GLU 9 9 19643 1 . ILE 10 10 19643 1 . THR 11 11 19643 1 . LEU 12 12 19643 1 . GLU 13 13 19643 1 . ARG 14 14 19643 1 . GLY 15 15 19643 1 . ASN 16 16 19643 1 . SER 17 17 19643 1 . GLY 18 18 19643 1 . LEU 19 19 19643 1 . GLY 20 20 19643 1 . PHE 21 21 19643 1 . SER 22 22 19643 1 . ILE 23 23 19643 1 . ALA 24 24 19643 1 . GLY 25 25 19643 1 . GLY 26 26 19643 1 . THR 27 27 19643 1 . ASP 28 28 19643 1 . ASN 29 29 19643 1 . PRO 30 30 19643 1 . HIS 31 31 19643 1 . ILE 32 32 19643 1 . GLY 33 33 19643 1 . ASP 34 34 19643 1 . ASP 35 35 19643 1 . PRO 36 36 19643 1 . SER 37 37 19643 1 . ILE 38 38 19643 1 . PHE 39 39 19643 1 . ILE 40 40 19643 1 . THR 41 41 19643 1 . LYS 42 42 19643 1 . ILE 43 43 19643 1 . ILE 44 44 19643 1 . PRO 45 45 19643 1 . GLY 46 46 19643 1 . GLY 47 47 19643 1 . ALA 48 48 19643 1 . ALA 49 49 19643 1 . ALA 50 50 19643 1 . GLN 51 51 19643 1 . ASP 52 52 19643 1 . GLY 53 53 19643 1 . ARG 54 54 19643 1 . LEU 55 55 19643 1 . ARG 56 56 19643 1 . VAL 57 57 19643 1 . ASN 58 58 19643 1 . ASP 59 59 19643 1 . SER 60 60 19643 1 . ILE 61 61 19643 1 . LEU 62 62 19643 1 . PHE 63 63 19643 1 . VAL 64 64 19643 1 . ASN 65 65 19643 1 . GLU 66 66 19643 1 . VAL 67 67 19643 1 . ASP 68 68 19643 1 . VAL 69 69 19643 1 . ARG 70 70 19643 1 . GLU 71 71 19643 1 . VAL 72 72 19643 1 . THR 73 73 19643 1 . HIS 74 74 19643 1 . SER 75 75 19643 1 . ALA 76 76 19643 1 . ALA 77 77 19643 1 . VAL 78 78 19643 1 . GLU 79 79 19643 1 . ALA 80 80 19643 1 . LEU 81 81 19643 1 . LYS 82 82 19643 1 . GLU 83 83 19643 1 . ALA 84 84 19643 1 . GLY 85 85 19643 1 . SER 86 86 19643 1 . ILE 87 87 19643 1 . VAL 88 88 19643 1 . ARG 89 89 19643 1 . LEU 90 90 19643 1 . TYR 91 91 19643 1 . VAL 92 92 19643 1 . MET 93 93 19643 1 . ARG 94 94 19643 1 . ARG 95 95 19643 1 . LYS 96 96 19643 1 . PRO 97 97 19643 1 . PRO 98 98 19643 1 . ALA 99 99 19643 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19643 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code VVSERISSV _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 976.115 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 VAL . 19643 2 2 2 VAL . 19643 2 3 3 SER . 19643 2 4 4 GLU . 19643 2 5 5 ARG . 19643 2 6 6 ILE . 19643 2 7 7 SER . 19643 2 8 8 SER . 19643 2 9 9 VAL . 19643 2 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 . VAL 1 1 19643 2 . VAL 2 2 19643 2 . SER 3 3 19643 2 . GLU 4 4 19643 2 . ARG 5 5 19643 2 . ILE 6 6 19643 2 . SER 7 7 19643 2 . SER 8 8 19643 2 . VAL 9 9 19643 2 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 19643 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19643 1 2 2 $entity_2 . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19643 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 19643 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM-11 . . . . . . 19643 1 2 2 $entity_2 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19643 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19643 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 19643 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 2.5 . . mM . . . . 19643 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19643 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 19643 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19643 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19643 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19643 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 19643 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 19643 1 pH 6.3 . pH 19643 1 pressure 1 . atm 19643 1 temperature 298 . K 19643 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19643 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19643 1 processing 19643 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19643 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19643 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19643 2 'structure solution' 19643 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19643 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19643 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19643 3 'structure solution' 19643 3 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19643 _Software.ID 4 _Software.Name CCPN_Analysis _Software.Version 2.1 _Software.Details 'Vranken et al, 2005, Proteins, 59: 687-696' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19643 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19643 4 'data analysis' 19643 4 'peak picking' 19643 4 processing 19643 4 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 19643 _Software.ID 5 _Software.Name DANGLE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cheung et al, 2010, Journal of Magnetic Resonance, 202, 2: 223-233' . . 19643 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angle calculation' 19643 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19643 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19643 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19643 1 2 spectrometer_2 Bruker Avance . 800 . . . 19643 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 19643 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 9 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 13 '1-D 13C 15N-filtered 1H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 14 '2D 1H-13C HSQC HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 15 '2D 13C TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 16 '2D 13C-15N F1-filtered NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 17 '2D 13C-15N F1-filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 18 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 19 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 20 '3D 13C,15 F1-filtered 13C F3-edited NOESY-HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 21 '3D 13C,15 F1-filtered 13C F3-edited NOESY-HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 22 '3D 13C,15 F1-filtered 15N F3-edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19643 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19643 _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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 19643 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 19643 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19643 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19643 1 2 '2D 1H-13C HSQC aliphatic' . . . 19643 1 3 '2D 1H-13C HSQC aromatic' . . . 19643 1 4 '3D CBCA(CO)NH' . . . 19643 1 5 '3D HNCO' . . . 19643 1 6 '3D HNCACB' . . . 19643 1 7 '3D HN(CO)CA' . . . 19643 1 8 '3D HBHA(CO)NH' . . . 19643 1 9 '3D HBHANH' . . . 19643 1 10 '3D 1H-15N NOESY' . . . 19643 1 11 '3D 1H-13C NOESY aliphatic' . . . 19643 1 12 '3D 1H-13C NOESY aromatic' . . . 19643 1 14 '2D 1H-13C HSQC HBCBCGCDHD' . . . 19643 1 15 '2D 13C TROSY' . . . 19643 1 18 '3D HCCH-TOCSY aliphatic' . . . 19643 1 19 '3D HCCH-TOCSY aromatic' . . . 19643 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 3.778 0.020 . 1 . . . A 1 GLY HA2 . 19643 1 2 . 1 1 1 1 GLY HA3 H 1 3.778 0.020 . 1 . . . A 1 GLY HA3 . 19643 1 3 . 1 1 1 1 GLY CA C 13 43.293 0.020 . 1 . . . A 1 GLY CA . 19643 1 4 . 1 1 2 2 ALA H H 1 8.551 0.020 . 1 . . . A 2 ALA H . 19643 1 5 . 1 1 2 2 ALA HA H 1 4.289 0.020 . 1 . . . A 2 ALA HA . 19643 1 6 . 1 1 2 2 ALA HB1 H 1 1.332 0.020 . 1 . . . A 2 ALA HB1 . 19643 1 7 . 1 1 2 2 ALA HB2 H 1 1.332 0.020 . 1 . . . A 2 ALA HB2 . 19643 1 8 . 1 1 2 2 ALA HB3 H 1 1.332 0.020 . 1 . . . A 2 ALA HB3 . 19643 1 9 . 1 1 2 2 ALA CA C 13 52.690 0.020 . 1 . . . A 2 ALA CA . 19643 1 10 . 1 1 2 2 ALA CB C 13 19.373 0.020 . 1 . . . A 2 ALA CB . 19643 1 11 . 1 1 2 2 ALA N N 15 123.610 0.020 . 1 . . . A 2 ALA N . 19643 1 12 . 1 1 3 3 MET H H 1 8.394 0.020 . 1 . . . A 3 MET H . 19643 1 13 . 1 1 3 3 MET HA H 1 4.422 0.020 . 1 . . . A 3 MET HA . 19643 1 14 . 1 1 3 3 MET HB2 H 1 1.996 0.020 . 1 . . . A 3 MET HB2 . 19643 1 15 . 1 1 3 3 MET HB3 H 1 1.944 0.020 . 1 . . . A 3 MET HB3 . 19643 1 16 . 1 1 3 3 MET HG2 H 1 2.537 0.020 . 1 . . . A 3 MET HG2 . 19643 1 17 . 1 1 3 3 MET HG3 H 1 2.466 0.020 . 1 . . . A 3 MET HG3 . 19643 1 18 . 1 1 3 3 MET CA C 13 55.333 0.020 . 1 . . . A 3 MET CA . 19643 1 19 . 1 1 3 3 MET CB C 13 32.744 0.020 . 1 . . . A 3 MET CB . 19643 1 20 . 1 1 3 3 MET CG C 13 32.104 0.003 . 1 . . . A 3 MET CG . 19643 1 21 . 1 1 3 3 MET N N 15 119.242 0.020 . 1 . . . A 3 MET N . 19643 1 22 . 1 1 4 4 GLU H H 1 8.427 0.020 . 1 . . . A 4 GLU H . 19643 1 23 . 1 1 4 4 GLU HA H 1 4.300 0.020 . 1 . . . A 4 GLU HA . 19643 1 24 . 1 1 4 4 GLU HB2 H 1 1.893 0.020 . 1 . . . A 4 GLU HB2 . 19643 1 25 . 1 1 4 4 GLU HB3 H 1 1.989 0.020 . 1 . . . A 4 GLU HB3 . 19643 1 26 . 1 1 4 4 GLU HG2 H 1 2.222 0.020 . 1 . . . A 4 GLU HG2 . 19643 1 27 . 1 1 4 4 GLU HG3 H 1 2.173 0.020 . 1 . . . A 4 GLU HG3 . 19643 1 28 . 1 1 4 4 GLU CA C 13 56.406 0.020 . 1 . . . A 4 GLU CA . 19643 1 29 . 1 1 4 4 GLU CB C 13 30.722 0.020 . 1 . . . A 4 GLU CB . 19643 1 30 . 1 1 4 4 GLU CG C 13 36.534 0.003 . 1 . . . A 4 GLU CG . 19643 1 31 . 1 1 4 4 GLU N N 15 122.309 0.020 . 1 . . . A 4 GLU N . 19643 1 32 . 1 1 5 5 MET H H 1 8.112 0.020 . 1 . . . A 5 MET H . 19643 1 33 . 1 1 5 5 MET HA H 1 4.911 0.020 . 1 . . . A 5 MET HA . 19643 1 34 . 1 1 5 5 MET HB2 H 1 1.474 0.020 . 1 . . . A 5 MET HB2 . 19643 1 35 . 1 1 5 5 MET HB3 H 1 1.744 0.020 . 1 . . . A 5 MET HB3 . 19643 1 36 . 1 1 5 5 MET HG2 H 1 2.573 0.020 . 1 . . . A 5 MET HG2 . 19643 1 37 . 1 1 5 5 MET HG3 H 1 2.414 0.020 . 1 . . . A 5 MET HG3 . 19643 1 38 . 1 1 5 5 MET CA C 13 53.780 0.020 . 1 . . . A 5 MET CA . 19643 1 39 . 1 1 5 5 MET CB C 13 34.203 0.013 . 1 . . . A 5 MET CB . 19643 1 40 . 1 1 5 5 MET CG C 13 32.963 0.006 . 1 . . . A 5 MET CG . 19643 1 41 . 1 1 5 5 MET N N 15 120.131 0.020 . 1 . . . A 5 MET N . 19643 1 42 . 1 1 6 6 GLU H H 1 8.858 0.020 . 1 . . . A 6 GLU H . 19643 1 43 . 1 1 6 6 GLU HA H 1 4.505 0.020 . 1 . . . A 6 GLU HA . 19643 1 44 . 1 1 6 6 GLU HB2 H 1 1.734 0.020 . 1 . . . A 6 GLU HB2 . 19643 1 45 . 1 1 6 6 GLU HB3 H 1 1.734 0.020 . 1 . . . A 6 GLU HB3 . 19643 1 46 . 1 1 6 6 GLU HG2 H 1 1.824 0.020 . 1 . . . A 6 GLU HG2 . 19643 1 47 . 1 1 6 6 GLU HG3 H 1 1.959 0.020 . 1 . . . A 6 GLU HG3 . 19643 1 48 . 1 1 6 6 GLU CA C 13 54.355 0.020 . 1 . . . A 6 GLU CA . 19643 1 49 . 1 1 6 6 GLU CB C 13 33.034 0.020 . 1 . . . A 6 GLU CB . 19643 1 50 . 1 1 6 6 GLU CG C 13 36.445 0.001 . 1 . . . A 6 GLU CG . 19643 1 51 . 1 1 6 6 GLU N N 15 121.438 0.020 . 1 . . . A 6 GLU N . 19643 1 52 . 1 1 7 7 TYR H H 1 8.333 0.020 . 1 . . . A 7 TYR H . 19643 1 53 . 1 1 7 7 TYR HA H 1 5.376 0.020 . 1 . . . A 7 TYR HA . 19643 1 54 . 1 1 7 7 TYR HB2 H 1 2.549 0.020 . 1 . . . A 7 TYR HB2 . 19643 1 55 . 1 1 7 7 TYR HB3 H 1 2.672 0.020 . 1 . . . A 7 TYR HB3 . 19643 1 56 . 1 1 7 7 TYR HD1 H 1 6.845 0.020 . 3 . . . A 7 TYR HD1 . 19643 1 57 . 1 1 7 7 TYR HD2 H 1 6.845 0.020 . 3 . . . A 7 TYR HD2 . 19643 1 58 . 1 1 7 7 TYR HE1 H 1 6.637 0.020 . 3 . . . A 7 TYR HE1 . 19643 1 59 . 1 1 7 7 TYR HE2 H 1 6.637 0.020 . 3 . . . A 7 TYR HE2 . 19643 1 60 . 1 1 7 7 TYR CA C 13 56.096 0.020 . 1 . . . A 7 TYR CA . 19643 1 61 . 1 1 7 7 TYR CB C 13 41.311 0.011 . 1 . . . A 7 TYR CB . 19643 1 62 . 1 1 7 7 TYR CD1 C 13 133.134 0.020 . 3 . . . A 7 TYR CD1 . 19643 1 63 . 1 1 7 7 TYR CD2 C 13 133.134 0.020 . 3 . . . A 7 TYR CD2 . 19643 1 64 . 1 1 7 7 TYR CE1 C 13 117.432 0.020 . 3 . . . A 7 TYR CE1 . 19643 1 65 . 1 1 7 7 TYR CE2 C 13 117.432 0.020 . 3 . . . A 7 TYR CE2 . 19643 1 66 . 1 1 7 7 TYR N N 15 121.043 0.020 . 1 . . . A 7 TYR N . 19643 1 67 . 1 1 8 8 GLU H H 1 8.524 0.020 . 1 . . . A 8 GLU H . 19643 1 68 . 1 1 8 8 GLU HA H 1 4.386 0.020 . 1 . . . A 8 GLU HA . 19643 1 69 . 1 1 8 8 GLU HB2 H 1 1.584 0.020 . 1 . . . A 8 GLU HB2 . 19643 1 70 . 1 1 8 8 GLU HB3 H 1 1.584 0.020 . 1 . . . A 8 GLU HB3 . 19643 1 71 . 1 1 8 8 GLU HG2 H 1 2.144 0.020 . 1 . . . A 8 GLU HG2 . 19643 1 72 . 1 1 8 8 GLU HG3 H 1 1.967 0.020 . 1 . . . A 8 GLU HG3 . 19643 1 73 . 1 1 8 8 GLU CA C 13 56.085 0.020 . 1 . . . A 8 GLU CA . 19643 1 74 . 1 1 8 8 GLU CB C 13 33.910 0.020 . 1 . . . A 8 GLU CB . 19643 1 75 . 1 1 8 8 GLU CG C 13 36.073 0.020 . 1 . . . A 8 GLU CG . 19643 1 76 . 1 1 8 8 GLU N N 15 121.986 0.010 . 1 . . . A 8 GLU N . 19643 1 77 . 1 1 9 9 GLU H H 1 8.570 0.020 . 1 . . . A 9 GLU H . 19643 1 78 . 1 1 9 9 GLU HA H 1 5.138 0.020 . 1 . . . A 9 GLU HA . 19643 1 79 . 1 1 9 9 GLU HB2 H 1 1.894 0.020 . 1 . . . A 9 GLU HB2 . 19643 1 80 . 1 1 9 9 GLU HB3 H 1 2.066 0.020 . 1 . . . A 9 GLU HB3 . 19643 1 81 . 1 1 9 9 GLU HG2 H 1 2.000 0.020 . 1 . . . A 9 GLU HG2 . 19643 1 82 . 1 1 9 9 GLU HG3 H 1 1.904 0.020 . 1 . . . A 9 GLU HG3 . 19643 1 83 . 1 1 9 9 GLU CA C 13 54.805 0.020 . 1 . . . A 9 GLU CA . 19643 1 84 . 1 1 9 9 GLU CB C 13 31.112 0.020 . 1 . . . A 9 GLU CB . 19643 1 85 . 1 1 9 9 GLU CG C 13 36.679 0.020 . 1 . . . A 9 GLU CG . 19643 1 86 . 1 1 9 9 GLU N N 15 125.727 0.020 . 1 . . . A 9 GLU N . 19643 1 87 . 1 1 10 10 ILE H H 1 9.271 0.020 . 1 . . . A 10 ILE H . 19643 1 88 . 1 1 10 10 ILE HA H 1 3.943 0.020 . 1 . . . A 10 ILE HA . 19643 1 89 . 1 1 10 10 ILE HB H 1 1.422 0.020 . 1 . . . A 10 ILE HB . 19643 1 90 . 1 1 10 10 ILE HG12 H 1 1.265 0.020 . 1 . . . A 10 ILE HG12 . 19643 1 91 . 1 1 10 10 ILE HG13 H 1 0.641 0.020 . 1 . . . A 10 ILE HG13 . 19643 1 92 . 1 1 10 10 ILE HG21 H 1 0.696 0.020 . 1 . . . A 10 ILE HG21 . 19643 1 93 . 1 1 10 10 ILE HG22 H 1 0.696 0.020 . 1 . . . A 10 ILE HG22 . 19643 1 94 . 1 1 10 10 ILE HG23 H 1 0.696 0.020 . 1 . . . A 10 ILE HG23 . 19643 1 95 . 1 1 10 10 ILE HD11 H 1 0.484 0.020 . 1 . . . A 10 ILE HD11 . 19643 1 96 . 1 1 10 10 ILE HD12 H 1 0.484 0.020 . 1 . . . A 10 ILE HD12 . 19643 1 97 . 1 1 10 10 ILE HD13 H 1 0.484 0.020 . 1 . . . A 10 ILE HD13 . 19643 1 98 . 1 1 10 10 ILE CA C 13 61.192 0.020 . 1 . . . A 10 ILE CA . 19643 1 99 . 1 1 10 10 ILE CB C 13 42.613 0.020 . 1 . . . A 10 ILE CB . 19643 1 100 . 1 1 10 10 ILE CG1 C 13 28.506 0.007 . 1 . . . A 10 ILE CG1 . 19643 1 101 . 1 1 10 10 ILE CG2 C 13 16.869 0.020 . 1 . . . A 10 ILE CG2 . 19643 1 102 . 1 1 10 10 ILE CD1 C 13 14.834 0.020 . 1 . . . A 10 ILE CD1 . 19643 1 103 . 1 1 10 10 ILE N N 15 130.210 0.020 . 1 . . . A 10 ILE N . 19643 1 104 . 1 1 11 11 THR H H 1 7.483 0.020 . 1 . . . A 11 THR H . 19643 1 105 . 1 1 11 11 THR HA H 1 5.212 0.020 . 1 . . . A 11 THR HA . 19643 1 106 . 1 1 11 11 THR HB H 1 3.881 0.020 . 1 . . . A 11 THR HB . 19643 1 107 . 1 1 11 11 THR HG21 H 1 0.903 0.020 . 1 . . . A 11 THR HG21 . 19643 1 108 . 1 1 11 11 THR HG22 H 1 0.903 0.020 . 1 . . . A 11 THR HG22 . 19643 1 109 . 1 1 11 11 THR HG23 H 1 0.903 0.020 . 1 . . . A 11 THR HG23 . 19643 1 110 . 1 1 11 11 THR CA C 13 61.750 0.020 . 1 . . . A 11 THR CA . 19643 1 111 . 1 1 11 11 THR CB C 13 69.466 0.020 . 1 . . . A 11 THR CB . 19643 1 112 . 1 1 11 11 THR CG2 C 13 21.876 0.020 . 1 . . . A 11 THR CG2 . 19643 1 113 . 1 1 11 11 THR N N 15 124.067 0.020 . 1 . . . A 11 THR N . 19643 1 114 . 1 1 12 12 LEU H H 1 8.977 0.020 . 1 . . . A 12 LEU H . 19643 1 115 . 1 1 12 12 LEU HA H 1 4.706 0.020 . 1 . . . A 12 LEU HA . 19643 1 116 . 1 1 12 12 LEU HB2 H 1 1.508 0.020 . 1 . . . A 12 LEU HB2 . 19643 1 117 . 1 1 12 12 LEU HB3 H 1 1.152 0.020 . 1 . . . A 12 LEU HB3 . 19643 1 118 . 1 1 12 12 LEU HG H 1 0.866 0.020 . 1 . . . A 12 LEU HG . 19643 1 119 . 1 1 12 12 LEU HD11 H 1 0.807 0.020 . 1 . . . A 12 LEU HD11 . 19643 1 120 . 1 1 12 12 LEU HD12 H 1 0.807 0.020 . 1 . . . A 12 LEU HD12 . 19643 1 121 . 1 1 12 12 LEU HD13 H 1 0.807 0.020 . 1 . . . A 12 LEU HD13 . 19643 1 122 . 1 1 12 12 LEU HD21 H 1 0.807 0.020 . 1 . . . A 12 LEU HD21 . 19643 1 123 . 1 1 12 12 LEU HD22 H 1 0.807 0.020 . 1 . . . A 12 LEU HD22 . 19643 1 124 . 1 1 12 12 LEU HD23 H 1 0.807 0.020 . 1 . . . A 12 LEU HD23 . 19643 1 125 . 1 1 12 12 LEU CA C 13 52.502 0.020 . 1 . . . A 12 LEU CA . 19643 1 126 . 1 1 12 12 LEU CB C 13 46.328 0.012 . 1 . . . A 12 LEU CB . 19643 1 127 . 1 1 12 12 LEU CG C 13 26.759 0.020 . 1 . . . A 12 LEU CG . 19643 1 128 . 1 1 12 12 LEU CD1 C 13 23.715 0.020 . 1 . . . A 12 LEU CD1 . 19643 1 129 . 1 1 12 12 LEU CD2 C 13 23.715 0.020 . 1 . . . A 12 LEU CD2 . 19643 1 130 . 1 1 12 12 LEU N N 15 125.136 0.020 . 1 . . . A 12 LEU N . 19643 1 131 . 1 1 13 13 GLU H H 1 8.524 0.020 . 1 . . . A 13 GLU H . 19643 1 132 . 1 1 13 13 GLU HA H 1 4.907 0.020 . 1 . . . A 13 GLU HA . 19643 1 133 . 1 1 13 13 GLU HB2 H 1 1.757 0.020 . 1 . . . A 13 GLU HB2 . 19643 1 134 . 1 1 13 13 GLU HB3 H 1 1.873 0.020 . 1 . . . A 13 GLU HB3 . 19643 1 135 . 1 1 13 13 GLU HG2 H 1 2.144 0.020 . 1 . . . A 13 GLU HG2 . 19643 1 136 . 1 1 13 13 GLU HG3 H 1 2.031 0.020 . 1 . . . A 13 GLU HG3 . 19643 1 137 . 1 1 13 13 GLU CA C 13 54.265 0.020 . 1 . . . A 13 GLU CA . 19643 1 138 . 1 1 13 13 GLU CB C 13 30.279 0.023 . 1 . . . A 13 GLU CB . 19643 1 139 . 1 1 13 13 GLU CG C 13 36.302 0.001 . 1 . . . A 13 GLU CG . 19643 1 140 . 1 1 13 13 GLU N N 15 121.986 0.010 . 1 . . . A 13 GLU N . 19643 1 141 . 1 1 14 14 ARG H H 1 8.643 0.020 . 1 . . . A 14 ARG H . 19643 1 142 . 1 1 14 14 ARG HA H 1 3.543 0.020 . 1 . . . A 14 ARG HA . 19643 1 143 . 1 1 14 14 ARG HB2 H 1 1.681 0.020 . 1 . . . A 14 ARG HB2 . 19643 1 144 . 1 1 14 14 ARG HB3 H 1 1.621 0.020 . 1 . . . A 14 ARG HB3 . 19643 1 145 . 1 1 14 14 ARG CA C 13 58.078 0.020 . 1 . . . A 14 ARG CA . 19643 1 146 . 1 1 14 14 ARG CB C 13 31.572 0.001 . 1 . . . A 14 ARG CB . 19643 1 147 . 1 1 14 14 ARG N N 15 125.922 0.020 . 1 . . . A 14 ARG N . 19643 1 148 . 1 1 15 15 GLY H H 1 7.639 0.020 . 1 . . . A 15 GLY H . 19643 1 149 . 1 1 15 15 GLY HA2 H 1 3.891 0.020 . 1 . . . A 15 GLY HA2 . 19643 1 150 . 1 1 15 15 GLY HA3 H 1 4.576 0.020 . 1 . . . A 15 GLY HA3 . 19643 1 151 . 1 1 15 15 GLY CA C 13 44.108 0.020 . 1 . . . A 15 GLY CA . 19643 1 152 . 1 1 15 15 GLY N N 15 113.035 0.020 . 1 . . . A 15 GLY N . 19643 1 153 . 1 1 16 16 ASN H H 1 8.971 0.020 . 1 . . . A 16 ASN H . 19643 1 154 . 1 1 16 16 ASN HA H 1 4.402 0.020 . 1 . . . A 16 ASN HA . 19643 1 155 . 1 1 16 16 ASN HB2 H 1 2.773 0.020 . 1 . . . A 16 ASN HB2 . 19643 1 156 . 1 1 16 16 ASN CA C 13 55.880 0.020 . 1 . . . A 16 ASN CA . 19643 1 157 . 1 1 16 16 ASN CB C 13 38.063 0.020 . 1 . . . A 16 ASN CB . 19643 1 158 . 1 1 16 16 ASN N N 15 120.641 0.020 . 1 . . . A 16 ASN N . 19643 1 159 . 1 1 17 17 SER H H 1 8.288 0.020 . 1 . . . A 17 SER H . 19643 1 160 . 1 1 17 17 SER HA H 1 4.598 0.020 . 1 . . . A 17 SER HA . 19643 1 161 . 1 1 17 17 SER HB2 H 1 3.884 0.020 . 1 . . . A 17 SER HB2 . 19643 1 162 . 1 1 17 17 SER HB3 H 1 3.815 0.020 . 1 . . . A 17 SER HB3 . 19643 1 163 . 1 1 17 17 SER CA C 13 56.829 0.020 . 1 . . . A 17 SER CA . 19643 1 164 . 1 1 17 17 SER CB C 13 63.185 0.021 . 1 . . . A 17 SER CB . 19643 1 165 . 1 1 17 17 SER N N 15 111.943 0.020 . 1 . . . A 17 SER N . 19643 1 166 . 1 1 18 18 GLY H H 1 7.601 0.020 . 1 . . . A 18 GLY H . 19643 1 167 . 1 1 18 18 GLY HA2 H 1 3.585 0.020 . 1 . . . A 18 GLY HA2 . 19643 1 168 . 1 1 18 18 GLY HA3 H 1 4.432 0.020 . 1 . . . A 18 GLY HA3 . 19643 1 169 . 1 1 18 18 GLY CA C 13 44.643 0.020 . 1 . . . A 18 GLY CA . 19643 1 170 . 1 1 18 18 GLY N N 15 108.890 0.020 . 1 . . . A 18 GLY N . 19643 1 171 . 1 1 19 19 LEU HA H 1 4.188 0.020 . 1 . . . A 19 LEU HA . 19643 1 172 . 1 1 19 19 LEU HB2 H 1 1.313 0.020 . 1 . . . A 19 LEU HB2 . 19643 1 173 . 1 1 19 19 LEU HB3 H 1 1.273 0.020 . 1 . . . A 19 LEU HB3 . 19643 1 174 . 1 1 19 19 LEU HG H 1 1.572 0.020 . 1 . . . A 19 LEU HG . 19643 1 175 . 1 1 19 19 LEU HD11 H 1 0.789 0.020 . 1 . . . A 19 LEU HD11 . 19643 1 176 . 1 1 19 19 LEU HD12 H 1 0.789 0.020 . 1 . . . A 19 LEU HD12 . 19643 1 177 . 1 1 19 19 LEU HD13 H 1 0.789 0.020 . 1 . . . A 19 LEU HD13 . 19643 1 178 . 1 1 19 19 LEU HD21 H 1 0.635 0.020 . 1 . . . A 19 LEU HD21 . 19643 1 179 . 1 1 19 19 LEU HD22 H 1 0.635 0.020 . 1 . . . A 19 LEU HD22 . 19643 1 180 . 1 1 19 19 LEU HD23 H 1 0.635 0.020 . 1 . . . A 19 LEU HD23 . 19643 1 181 . 1 1 19 19 LEU CA C 13 56.420 0.020 . 1 . . . A 19 LEU CA . 19643 1 182 . 1 1 19 19 LEU CB C 13 42.169 0.020 . 1 . . . A 19 LEU CB . 19643 1 183 . 1 1 19 19 LEU CG C 13 27.351 0.016 . 1 . . . A 19 LEU CG . 19643 1 184 . 1 1 19 19 LEU CD1 C 13 26.359 0.003 . 1 . . . A 19 LEU CD1 . 19643 1 185 . 1 1 19 19 LEU CD2 C 13 21.808 0.020 . 1 . . . A 19 LEU CD2 . 19643 1 186 . 1 1 20 20 GLY H H 1 9.136 0.020 . 1 . . . A 20 GLY H . 19643 1 187 . 1 1 20 20 GLY HA2 H 1 3.876 0.020 . 1 . . . A 20 GLY HA2 . 19643 1 188 . 1 1 20 20 GLY HA3 H 1 4.272 0.020 . 1 . . . A 20 GLY HA3 . 19643 1 189 . 1 1 20 20 GLY CA C 13 46.362 0.020 . 1 . . . A 20 GLY CA . 19643 1 190 . 1 1 20 20 GLY N N 15 106.101 0.020 . 1 . . . A 20 GLY N . 19643 1 191 . 1 1 21 21 PHE H H 1 7.625 0.020 . 1 . . . A 21 PHE H . 19643 1 192 . 1 1 21 21 PHE HA H 1 5.146 0.020 . 1 . . . A 21 PHE HA . 19643 1 193 . 1 1 21 21 PHE HB2 H 1 3.427 0.020 . 1 . . . A 21 PHE HB2 . 19643 1 194 . 1 1 21 21 PHE HB3 H 1 2.975 0.020 . 1 . . . A 21 PHE HB3 . 19643 1 195 . 1 1 21 21 PHE HD1 H 1 6.652 0.020 . 3 . . . A 21 PHE HD1 . 19643 1 196 . 1 1 21 21 PHE HD2 H 1 6.652 0.020 . 3 . . . A 21 PHE HD2 . 19643 1 197 . 1 1 21 21 PHE HE1 H 1 6.740 0.020 . 3 . . . A 21 PHE HE1 . 19643 1 198 . 1 1 21 21 PHE HE2 H 1 6.740 0.020 . 3 . . . A 21 PHE HE2 . 19643 1 199 . 1 1 21 21 PHE CA C 13 56.321 0.020 . 1 . . . A 21 PHE CA . 19643 1 200 . 1 1 21 21 PHE CB C 13 40.716 0.020 . 1 . . . A 21 PHE CB . 19643 1 201 . 1 1 21 21 PHE CD1 C 13 132.441 0.020 . 3 . . . A 21 PHE CD1 . 19643 1 202 . 1 1 21 21 PHE CD2 C 13 132.441 0.020 . 3 . . . A 21 PHE CD2 . 19643 1 203 . 1 1 21 21 PHE CE1 C 13 130.759 0.020 . 3 . . . A 21 PHE CE1 . 19643 1 204 . 1 1 21 21 PHE CE2 C 13 130.759 0.020 . 3 . . . A 21 PHE CE2 . 19643 1 205 . 1 1 21 21 PHE N N 15 117.144 0.020 . 1 . . . A 21 PHE N . 19643 1 206 . 1 1 22 22 SER H H 1 8.755 0.020 . 1 . . . A 22 SER H . 19643 1 207 . 1 1 22 22 SER HA H 1 5.765 0.020 . 1 . . . A 22 SER HA . 19643 1 208 . 1 1 22 22 SER HB2 H 1 3.470 0.020 . 1 . . . A 22 SER HB2 . 19643 1 209 . 1 1 22 22 SER HB3 H 1 3.618 0.020 . 1 . . . A 22 SER HB3 . 19643 1 210 . 1 1 22 22 SER CA C 13 56.474 0.020 . 1 . . . A 22 SER CA . 19643 1 211 . 1 1 22 22 SER CB C 13 65.095 0.010 . 1 . . . A 22 SER CB . 19643 1 212 . 1 1 22 22 SER N N 15 113.822 0.020 . 1 . . . A 22 SER N . 19643 1 213 . 1 1 23 23 ILE H H 1 9.143 0.020 . 1 . . . A 23 ILE H . 19643 1 214 . 1 1 23 23 ILE HA H 1 5.746 0.020 . 1 . . . A 23 ILE HA . 19643 1 215 . 1 1 23 23 ILE HB H 1 1.859 0.020 . 1 . . . A 23 ILE HB . 19643 1 216 . 1 1 23 23 ILE HG12 H 1 1.570 0.020 . 1 . . . A 23 ILE HG12 . 19643 1 217 . 1 1 23 23 ILE HG13 H 1 0.802 0.020 . 1 . . . A 23 ILE HG13 . 19643 1 218 . 1 1 23 23 ILE HG21 H 1 0.873 0.020 . 1 . . . A 23 ILE HG21 . 19643 1 219 . 1 1 23 23 ILE HG22 H 1 0.873 0.020 . 1 . . . A 23 ILE HG22 . 19643 1 220 . 1 1 23 23 ILE HG23 H 1 0.873 0.020 . 1 . . . A 23 ILE HG23 . 19643 1 221 . 1 1 23 23 ILE HD11 H 1 0.398 0.020 . 1 . . . A 23 ILE HD11 . 19643 1 222 . 1 1 23 23 ILE HD12 H 1 0.398 0.020 . 1 . . . A 23 ILE HD12 . 19643 1 223 . 1 1 23 23 ILE HD13 H 1 0.398 0.020 . 1 . . . A 23 ILE HD13 . 19643 1 224 . 1 1 23 23 ILE CA C 13 58.284 0.020 . 1 . . . A 23 ILE CA . 19643 1 225 . 1 1 23 23 ILE CB C 13 42.679 0.020 . 1 . . . A 23 ILE CB . 19643 1 226 . 1 1 23 23 ILE CG1 C 13 25.204 0.005 . 1 . . . A 23 ILE CG1 . 19643 1 227 . 1 1 23 23 ILE CG2 C 13 19.882 0.020 . 1 . . . A 23 ILE CG2 . 19643 1 228 . 1 1 23 23 ILE CD1 C 13 14.306 0.020 . 1 . . . A 23 ILE CD1 . 19643 1 229 . 1 1 23 23 ILE N N 15 114.674 0.020 . 1 . . . A 23 ILE N . 19643 1 230 . 1 1 24 24 ALA H H 1 8.968 0.020 . 1 . . . A 24 ALA H . 19643 1 231 . 1 1 24 24 ALA HA H 1 5.041 0.009 . 1 . . . A 24 ALA HA . 19643 1 232 . 1 1 24 24 ALA HB1 H 1 1.016 0.020 . 1 . . . A 24 ALA HB1 . 19643 1 233 . 1 1 24 24 ALA HB2 H 1 1.016 0.020 . 1 . . . A 24 ALA HB2 . 19643 1 234 . 1 1 24 24 ALA HB3 H 1 1.016 0.020 . 1 . . . A 24 ALA HB3 . 19643 1 235 . 1 1 24 24 ALA CA C 13 49.567 0.095 . 1 . . . A 24 ALA CA . 19643 1 236 . 1 1 24 24 ALA CB C 13 23.764 0.020 . 1 . . . A 24 ALA CB . 19643 1 237 . 1 1 24 24 ALA N N 15 123.084 0.020 . 1 . . . A 24 ALA N . 19643 1 238 . 1 1 25 25 GLY H H 1 9.163 0.020 . 1 . . . A 25 GLY H . 19643 1 239 . 1 1 25 25 GLY HA2 H 1 5.397 0.020 . 1 . . . A 25 GLY HA2 . 19643 1 240 . 1 1 25 25 GLY HA3 H 1 4.435 0.020 . 1 . . . A 25 GLY HA3 . 19643 1 241 . 1 1 25 25 GLY CA C 13 44.904 0.013 . 1 . . . A 25 GLY CA . 19643 1 242 . 1 1 25 25 GLY N N 15 106.991 0.020 . 1 . . . A 25 GLY N . 19643 1 243 . 1 1 26 26 GLY H H 1 6.533 0.020 . 1 . . . A 26 GLY H . 19643 1 244 . 1 1 26 26 GLY HA2 H 1 4.578 0.020 . 1 . . . A 26 GLY HA2 . 19643 1 245 . 1 1 26 26 GLY HA3 H 1 4.268 0.020 . 1 . . . A 26 GLY HA3 . 19643 1 246 . 1 1 26 26 GLY CA C 13 43.533 0.021 . 1 . . . A 26 GLY CA . 19643 1 247 . 1 1 26 26 GLY N N 15 108.474 0.020 . 1 . . . A 26 GLY N . 19643 1 248 . 1 1 27 27 THR H H 1 9.312 0.020 . 1 . . . A 27 THR H . 19643 1 249 . 1 1 27 27 THR HA H 1 3.844 0.020 . 1 . . . A 27 THR HA . 19643 1 250 . 1 1 27 27 THR HB H 1 4.091 0.020 . 1 . . . A 27 THR HB . 19643 1 251 . 1 1 27 27 THR HG21 H 1 1.087 0.020 . 1 . . . A 27 THR HG21 . 19643 1 252 . 1 1 27 27 THR HG22 H 1 1.087 0.020 . 1 . . . A 27 THR HG22 . 19643 1 253 . 1 1 27 27 THR HG23 H 1 1.087 0.020 . 1 . . . A 27 THR HG23 . 19643 1 254 . 1 1 27 27 THR CA C 13 64.151 0.020 . 1 . . . A 27 THR CA . 19643 1 255 . 1 1 27 27 THR CB C 13 67.979 0.020 . 1 . . . A 27 THR CB . 19643 1 256 . 1 1 27 27 THR CG2 C 13 22.318 0.020 . 1 . . . A 27 THR CG2 . 19643 1 257 . 1 1 27 27 THR N N 15 113.603 0.020 . 1 . . . A 27 THR N . 19643 1 258 . 1 1 28 28 ASP H H 1 9.129 0.020 . 1 . . . A 28 ASP H . 19643 1 259 . 1 1 28 28 ASP HA H 1 4.521 0.020 . 1 . . . A 28 ASP HA . 19643 1 260 . 1 1 28 28 ASP HB2 H 1 2.919 0.020 . 1 . . . A 28 ASP HB2 . 19643 1 261 . 1 1 28 28 ASP HB3 H 1 2.586 0.020 . 1 . . . A 28 ASP HB3 . 19643 1 262 . 1 1 28 28 ASP CA C 13 51.997 0.020 . 1 . . . A 28 ASP CA . 19643 1 263 . 1 1 28 28 ASP CB C 13 39.198 0.023 . 1 . . . A 28 ASP CB . 19643 1 264 . 1 1 28 28 ASP N N 15 116.979 0.020 . 1 . . . A 28 ASP N . 19643 1 265 . 1 1 29 29 ASN H H 1 7.575 0.020 . 1 . . . A 29 ASN H . 19643 1 266 . 1 1 29 29 ASN HA H 1 4.877 0.020 . 1 . . . A 29 ASN HA . 19643 1 267 . 1 1 29 29 ASN HB2 H 1 2.264 0.020 . 1 . . . A 29 ASN HB2 . 19643 1 268 . 1 1 29 29 ASN HB3 H 1 2.511 0.020 . 1 . . . A 29 ASN HB3 . 19643 1 269 . 1 1 29 29 ASN CA C 13 52.786 0.020 . 1 . . . A 29 ASN CA . 19643 1 270 . 1 1 29 29 ASN CB C 13 41.288 0.028 . 1 . . . A 29 ASN CB . 19643 1 271 . 1 1 29 29 ASN N N 15 119.889 0.020 . 1 . . . A 29 ASN N . 19643 1 272 . 1 1 30 30 PRO HA H 1 4.588 0.020 . 1 . . . A 30 PRO HA . 19643 1 273 . 1 1 30 30 PRO HB2 H 1 1.793 0.020 . 1 . . . A 30 PRO HB2 . 19643 1 274 . 1 1 30 30 PRO HB3 H 1 1.917 0.020 . 1 . . . A 30 PRO HB3 . 19643 1 275 . 1 1 30 30 PRO HD2 H 1 3.430 0.020 . 1 . . . A 30 PRO HD2 . 19643 1 276 . 1 1 30 30 PRO HD3 H 1 3.430 0.020 . 1 . . . A 30 PRO HD3 . 19643 1 277 . 1 1 30 30 PRO CA C 13 64.383 0.020 . 1 . . . A 30 PRO CA . 19643 1 278 . 1 1 30 30 PRO CB C 13 31.725 0.020 . 1 . . . A 30 PRO CB . 19643 1 279 . 1 1 30 30 PRO CD C 13 50.211 0.020 . 1 . . . A 30 PRO CD . 19643 1 280 . 1 1 31 31 HIS H H 1 10.469 0.020 . 1 . . . A 31 HIS H . 19643 1 281 . 1 1 31 31 HIS HA H 1 4.706 0.020 . 1 . . . A 31 HIS HA . 19643 1 282 . 1 1 31 31 HIS HB2 H 1 3.282 0.020 . 1 . . . A 31 HIS HB2 . 19643 1 283 . 1 1 31 31 HIS HB3 H 1 3.215 0.020 . 1 . . . A 31 HIS HB3 . 19643 1 284 . 1 1 31 31 HIS HD2 H 1 6.079 0.020 . 1 . . . A 31 HIS HD2 . 19643 1 285 . 1 1 31 31 HIS HE1 H 1 8.299 0.294 . 1 . . . A 31 HIS HE1 . 19643 1 286 . 1 1 31 31 HIS CA C 13 56.079 0.020 . 1 . . . A 31 HIS CA . 19643 1 287 . 1 1 31 31 HIS CB C 13 30.648 0.001 . 1 . . . A 31 HIS CB . 19643 1 288 . 1 1 31 31 HIS CD2 C 13 119.256 0.020 . 1 . . . A 31 HIS CD2 . 19643 1 289 . 1 1 31 31 HIS CE1 C 13 137.181 0.087 . 1 . . . A 31 HIS CE1 . 19643 1 290 . 1 1 31 31 HIS N N 15 122.889 0.020 . 1 . . . A 31 HIS N . 19643 1 291 . 1 1 32 32 ILE H H 1 6.884 0.020 . 1 . . . A 32 ILE H . 19643 1 292 . 1 1 32 32 ILE HA H 1 3.996 0.020 . 1 . . . A 32 ILE HA . 19643 1 293 . 1 1 32 32 ILE HB H 1 1.495 0.020 . 1 . . . A 32 ILE HB . 19643 1 294 . 1 1 32 32 ILE HG12 H 1 0.996 0.020 . 1 . . . A 32 ILE HG12 . 19643 1 295 . 1 1 32 32 ILE HG13 H 1 0.652 0.020 . 1 . . . A 32 ILE HG13 . 19643 1 296 . 1 1 32 32 ILE HG21 H 1 0.693 0.020 . 1 . . . A 32 ILE HG21 . 19643 1 297 . 1 1 32 32 ILE HG22 H 1 0.693 0.020 . 1 . . . A 32 ILE HG22 . 19643 1 298 . 1 1 32 32 ILE HG23 H 1 0.693 0.020 . 1 . . . A 32 ILE HG23 . 19643 1 299 . 1 1 32 32 ILE HD11 H 1 0.438 0.020 . 1 . . . A 32 ILE HD11 . 19643 1 300 . 1 1 32 32 ILE HD12 H 1 0.438 0.020 . 1 . . . A 32 ILE HD12 . 19643 1 301 . 1 1 32 32 ILE HD13 H 1 0.438 0.020 . 1 . . . A 32 ILE HD13 . 19643 1 302 . 1 1 32 32 ILE CA C 13 59.065 0.020 . 1 . . . A 32 ILE CA . 19643 1 303 . 1 1 32 32 ILE CB C 13 40.233 0.020 . 1 . . . A 32 ILE CB . 19643 1 304 . 1 1 32 32 ILE CG1 C 13 27.147 0.009 . 1 . . . A 32 ILE CG1 . 19643 1 305 . 1 1 32 32 ILE CG2 C 13 16.874 0.020 . 1 . . . A 32 ILE CG2 . 19643 1 306 . 1 1 32 32 ILE CD1 C 13 12.826 0.020 . 1 . . . A 32 ILE CD1 . 19643 1 307 . 1 1 32 32 ILE N N 15 115.082 0.020 . 1 . . . A 32 ILE N . 19643 1 308 . 1 1 33 33 GLY H H 1 8.522 0.020 . 1 . . . A 33 GLY H . 19643 1 309 . 1 1 33 33 GLY HA2 H 1 3.583 0.020 . 1 . . . A 33 GLY HA2 . 19643 1 310 . 1 1 33 33 GLY HA3 H 1 3.740 0.020 . 1 . . . A 33 GLY HA3 . 19643 1 311 . 1 1 33 33 GLY CA C 13 47.208 0.020 . 1 . . . A 33 GLY CA . 19643 1 312 . 1 1 33 33 GLY N N 15 114.196 0.020 . 1 . . . A 33 GLY N . 19643 1 313 . 1 1 34 34 ASP H H 1 8.396 0.020 . 1 . . . A 34 ASP H . 19643 1 314 . 1 1 34 34 ASP HA H 1 4.587 0.020 . 1 . . . A 34 ASP HA . 19643 1 315 . 1 1 34 34 ASP HB2 H 1 2.646 0.020 . 1 . . . A 34 ASP HB2 . 19643 1 316 . 1 1 34 34 ASP HB3 H 1 2.646 0.020 . 1 . . . A 34 ASP HB3 . 19643 1 317 . 1 1 34 34 ASP CA C 13 52.616 0.020 . 1 . . . A 34 ASP CA . 19643 1 318 . 1 1 34 34 ASP CB C 13 40.651 0.020 . 1 . . . A 34 ASP CB . 19643 1 319 . 1 1 34 34 ASP N N 15 124.358 0.020 . 1 . . . A 34 ASP N . 19643 1 320 . 1 1 35 35 ASP H H 1 8.294 0.020 . 1 . . . A 35 ASP H . 19643 1 321 . 1 1 35 35 ASP HA H 1 4.777 0.020 . 1 . . . A 35 ASP HA . 19643 1 322 . 1 1 35 35 ASP HB2 H 1 2.619 0.020 . 1 . . . A 35 ASP HB2 . 19643 1 323 . 1 1 35 35 ASP HB3 H 1 3.397 0.020 . 1 . . . A 35 ASP HB3 . 19643 1 324 . 1 1 35 35 ASP CA C 13 51.535 0.020 . 1 . . . A 35 ASP CA . 19643 1 325 . 1 1 35 35 ASP CB C 13 41.908 0.016 . 1 . . . A 35 ASP CB . 19643 1 326 . 1 1 35 35 ASP N N 15 123.575 0.020 . 1 . . . A 35 ASP N . 19643 1 327 . 1 1 36 36 PRO HA H 1 4.494 0.020 . 1 . . . A 36 PRO HA . 19643 1 328 . 1 1 36 36 PRO HB2 H 1 1.460 0.020 . 1 . . . A 36 PRO HB2 . 19643 1 329 . 1 1 36 36 PRO HB3 H 1 1.460 0.020 . 1 . . . A 36 PRO HB3 . 19643 1 330 . 1 1 36 36 PRO CA C 13 63.320 0.020 . 1 . . . A 36 PRO CA . 19643 1 331 . 1 1 36 36 PRO CB C 13 32.945 0.020 . 1 . . . A 36 PRO CB . 19643 1 332 . 1 1 37 37 SER H H 1 8.353 0.020 . 1 . . . A 37 SER H . 19643 1 333 . 1 1 37 37 SER HA H 1 4.077 0.020 . 1 . . . A 37 SER HA . 19643 1 334 . 1 1 37 37 SER HB2 H 1 3.114 0.020 . 1 . . . A 37 SER HB2 . 19643 1 335 . 1 1 37 37 SER HB3 H 1 3.230 0.020 . 1 . . . A 37 SER HB3 . 19643 1 336 . 1 1 37 37 SER CA C 13 60.109 0.020 . 1 . . . A 37 SER CA . 19643 1 337 . 1 1 37 37 SER CB C 13 63.043 0.025 . 1 . . . A 37 SER CB . 19643 1 338 . 1 1 37 37 SER N N 15 117.452 0.020 . 1 . . . A 37 SER N . 19643 1 339 . 1 1 38 38 ILE H H 1 9.431 0.020 . 1 . . . A 38 ILE H . 19643 1 340 . 1 1 38 38 ILE HA H 1 4.678 0.020 . 1 . . . A 38 ILE HA . 19643 1 341 . 1 1 38 38 ILE HB H 1 2.163 0.020 . 1 . . . A 38 ILE HB . 19643 1 342 . 1 1 38 38 ILE HG12 H 1 1.987 0.020 . 1 . . . A 38 ILE HG12 . 19643 1 343 . 1 1 38 38 ILE HG13 H 1 0.929 0.020 . 1 . . . A 38 ILE HG13 . 19643 1 344 . 1 1 38 38 ILE HG21 H 1 0.724 0.020 . 1 . . . A 38 ILE HG21 . 19643 1 345 . 1 1 38 38 ILE HG22 H 1 0.724 0.020 . 1 . . . A 38 ILE HG22 . 19643 1 346 . 1 1 38 38 ILE HG23 H 1 0.724 0.020 . 1 . . . A 38 ILE HG23 . 19643 1 347 . 1 1 38 38 ILE HD11 H 1 0.465 0.020 . 1 . . . A 38 ILE HD11 . 19643 1 348 . 1 1 38 38 ILE HD12 H 1 0.465 0.020 . 1 . . . A 38 ILE HD12 . 19643 1 349 . 1 1 38 38 ILE HD13 H 1 0.465 0.020 . 1 . . . A 38 ILE HD13 . 19643 1 350 . 1 1 38 38 ILE CA C 13 57.491 0.020 . 1 . . . A 38 ILE CA . 19643 1 351 . 1 1 38 38 ILE CB C 13 34.905 0.020 . 1 . . . A 38 ILE CB . 19643 1 352 . 1 1 38 38 ILE CG1 C 13 26.559 0.002 . 1 . . . A 38 ILE CG1 . 19643 1 353 . 1 1 38 38 ILE CG2 C 13 18.875 0.020 . 1 . . . A 38 ILE CG2 . 19643 1 354 . 1 1 38 38 ILE CD1 C 13 8.035 0.020 . 1 . . . A 38 ILE CD1 . 19643 1 355 . 1 1 38 38 ILE N N 15 123.464 0.020 . 1 . . . A 38 ILE N . 19643 1 356 . 1 1 39 39 PHE H H 1 8.298 0.020 . 1 . . . A 39 PHE H . 19643 1 357 . 1 1 39 39 PHE HA H 1 5.342 0.020 . 1 . . . A 39 PHE HA . 19643 1 358 . 1 1 39 39 PHE HB2 H 1 2.678 0.020 . 1 . . . A 39 PHE HB2 . 19643 1 359 . 1 1 39 39 PHE HB3 H 1 2.060 0.020 . 1 . . . A 39 PHE HB3 . 19643 1 360 . 1 1 39 39 PHE HD1 H 1 6.982 0.020 . 3 . . . A 39 PHE HD1 . 19643 1 361 . 1 1 39 39 PHE HD2 H 1 6.982 0.020 . 3 . . . A 39 PHE HD2 . 19643 1 362 . 1 1 39 39 PHE HE1 H 1 7.299 0.020 . 3 . . . A 39 PHE HE1 . 19643 1 363 . 1 1 39 39 PHE HE2 H 1 7.299 0.020 . 3 . . . A 39 PHE HE2 . 19643 1 364 . 1 1 39 39 PHE CA C 13 56.573 0.020 . 1 . . . A 39 PHE CA . 19643 1 365 . 1 1 39 39 PHE CB C 13 44.095 0.020 . 1 . . . A 39 PHE CB . 19643 1 366 . 1 1 39 39 PHE CD1 C 13 132.246 0.020 . 3 . . . A 39 PHE CD1 . 19643 1 367 . 1 1 39 39 PHE CD2 C 13 132.246 0.020 . 3 . . . A 39 PHE CD2 . 19643 1 368 . 1 1 39 39 PHE CE1 C 13 131.583 0.020 . 3 . . . A 39 PHE CE1 . 19643 1 369 . 1 1 39 39 PHE CE2 C 13 131.583 0.020 . 3 . . . A 39 PHE CE2 . 19643 1 370 . 1 1 39 39 PHE N N 15 124.567 0.020 . 1 . . . A 39 PHE N . 19643 1 371 . 1 1 40 40 ILE H H 1 8.667 0.020 . 1 . . . A 40 ILE H . 19643 1 372 . 1 1 40 40 ILE HA H 1 4.601 0.020 . 1 . . . A 40 ILE HA . 19643 1 373 . 1 1 40 40 ILE HB H 1 2.023 0.020 . 1 . . . A 40 ILE HB . 19643 1 374 . 1 1 40 40 ILE HG12 H 1 1.222 0.020 . 1 . . . A 40 ILE HG12 . 19643 1 375 . 1 1 40 40 ILE HG13 H 1 0.958 0.020 . 1 . . . A 40 ILE HG13 . 19643 1 376 . 1 1 40 40 ILE HG21 H 1 0.640 0.020 . 1 . . . A 40 ILE HG21 . 19643 1 377 . 1 1 40 40 ILE HG22 H 1 0.640 0.020 . 1 . . . A 40 ILE HG22 . 19643 1 378 . 1 1 40 40 ILE HG23 H 1 0.640 0.020 . 1 . . . A 40 ILE HG23 . 19643 1 379 . 1 1 40 40 ILE HD11 H 1 0.171 0.020 . 1 . . . A 40 ILE HD11 . 19643 1 380 . 1 1 40 40 ILE HD12 H 1 0.171 0.020 . 1 . . . A 40 ILE HD12 . 19643 1 381 . 1 1 40 40 ILE HD13 H 1 0.171 0.020 . 1 . . . A 40 ILE HD13 . 19643 1 382 . 1 1 40 40 ILE CA C 13 60.296 0.020 . 1 . . . A 40 ILE CA . 19643 1 383 . 1 1 40 40 ILE CB C 13 37.033 0.020 . 1 . . . A 40 ILE CB . 19643 1 384 . 1 1 40 40 ILE CG1 C 13 27.714 0.020 . 1 . . . A 40 ILE CG1 . 19643 1 385 . 1 1 40 40 ILE CG2 C 13 18.152 0.020 . 1 . . . A 40 ILE CG2 . 19643 1 386 . 1 1 40 40 ILE CD1 C 13 13.631 0.020 . 1 . . . A 40 ILE CD1 . 19643 1 387 . 1 1 40 40 ILE N N 15 119.768 0.020 . 1 . . . A 40 ILE N . 19643 1 388 . 1 1 41 41 THR H H 1 8.812 0.020 . 1 . . . A 41 THR H . 19643 1 389 . 1 1 41 41 THR HA H 1 4.530 0.020 . 1 . . . A 41 THR HA . 19643 1 390 . 1 1 41 41 THR HB H 1 4.146 0.020 . 1 . . . A 41 THR HB . 19643 1 391 . 1 1 41 41 THR HG21 H 1 0.717 0.020 . 1 . . . A 41 THR HG21 . 19643 1 392 . 1 1 41 41 THR HG22 H 1 0.717 0.020 . 1 . . . A 41 THR HG22 . 19643 1 393 . 1 1 41 41 THR HG23 H 1 0.717 0.020 . 1 . . . A 41 THR HG23 . 19643 1 394 . 1 1 41 41 THR CA C 13 62.101 0.020 . 1 . . . A 41 THR CA . 19643 1 395 . 1 1 41 41 THR CB C 13 68.728 0.020 . 1 . . . A 41 THR CB . 19643 1 396 . 1 1 41 41 THR CG2 C 13 23.492 0.020 . 1 . . . A 41 THR CG2 . 19643 1 397 . 1 1 41 41 THR N N 15 118.591 0.020 . 1 . . . A 41 THR N . 19643 1 398 . 1 1 42 42 LYS H H 1 7.157 0.020 . 1 . . . A 42 LYS H . 19643 1 399 . 1 1 42 42 LYS HA H 1 4.273 0.020 . 1 . . . A 42 LYS HA . 19643 1 400 . 1 1 42 42 LYS HB2 H 1 1.512 0.020 . 1 . . . A 42 LYS HB2 . 19643 1 401 . 1 1 42 42 LYS HB3 H 1 1.813 0.020 . 1 . . . A 42 LYS HB3 . 19643 1 402 . 1 1 42 42 LYS HG2 H 1 1.076 0.020 . 1 . . . A 42 LYS HG2 . 19643 1 403 . 1 1 42 42 LYS HG3 H 1 1.076 0.020 . 1 . . . A 42 LYS HG3 . 19643 1 404 . 1 1 42 42 LYS HD2 H 1 1.281 0.020 . 1 . . . A 42 LYS HD2 . 19643 1 405 . 1 1 42 42 LYS HD3 H 1 1.281 0.020 . 1 . . . A 42 LYS HD3 . 19643 1 406 . 1 1 42 42 LYS HE2 H 1 2.819 0.020 . 1 . . . A 42 LYS HE2 . 19643 1 407 . 1 1 42 42 LYS HE3 H 1 2.819 0.020 . 1 . . . A 42 LYS HE3 . 19643 1 408 . 1 1 42 42 LYS CA C 13 56.565 0.020 . 1 . . . A 42 LYS CA . 19643 1 409 . 1 1 42 42 LYS CB C 13 36.076 0.025 . 1 . . . A 42 LYS CB . 19643 1 410 . 1 1 42 42 LYS CG C 13 24.924 0.020 . 1 . . . A 42 LYS CG . 19643 1 411 . 1 1 42 42 LYS CD C 13 24.643 0.020 . 1 . . . A 42 LYS CD . 19643 1 412 . 1 1 42 42 LYS CE C 13 41.990 0.020 . 1 . . . A 42 LYS CE . 19643 1 413 . 1 1 42 42 LYS N N 15 121.511 0.020 . 1 . . . A 42 LYS N . 19643 1 414 . 1 1 43 43 ILE H H 1 8.785 0.020 . 1 . . . A 43 ILE H . 19643 1 415 . 1 1 43 43 ILE HA H 1 4.290 0.020 . 1 . . . A 43 ILE HA . 19643 1 416 . 1 1 43 43 ILE HB H 1 1.713 0.020 . 1 . . . A 43 ILE HB . 19643 1 417 . 1 1 43 43 ILE HG12 H 1 1.252 0.020 . 1 . . . A 43 ILE HG12 . 19643 1 418 . 1 1 43 43 ILE HG13 H 1 0.895 0.020 . 1 . . . A 43 ILE HG13 . 19643 1 419 . 1 1 43 43 ILE HG21 H 1 0.773 0.020 . 1 . . . A 43 ILE HG21 . 19643 1 420 . 1 1 43 43 ILE HG22 H 1 0.773 0.020 . 1 . . . A 43 ILE HG22 . 19643 1 421 . 1 1 43 43 ILE HG23 H 1 0.773 0.020 . 1 . . . A 43 ILE HG23 . 19643 1 422 . 1 1 43 43 ILE HD11 H 1 0.408 0.020 . 1 . . . A 43 ILE HD11 . 19643 1 423 . 1 1 43 43 ILE HD12 H 1 0.408 0.020 . 1 . . . A 43 ILE HD12 . 19643 1 424 . 1 1 43 43 ILE HD13 H 1 0.408 0.020 . 1 . . . A 43 ILE HD13 . 19643 1 425 . 1 1 43 43 ILE CA C 13 59.922 0.020 . 1 . . . A 43 ILE CA . 19643 1 426 . 1 1 43 43 ILE CB C 13 38.183 0.020 . 1 . . . A 43 ILE CB . 19643 1 427 . 1 1 43 43 ILE CG1 C 13 27.349 0.001 . 1 . . . A 43 ILE CG1 . 19643 1 428 . 1 1 43 43 ILE CG2 C 13 17.598 0.020 . 1 . . . A 43 ILE CG2 . 19643 1 429 . 1 1 43 43 ILE CD1 C 13 12.203 0.020 . 1 . . . A 43 ILE CD1 . 19643 1 430 . 1 1 43 43 ILE N N 15 126.187 0.020 . 1 . . . A 43 ILE N . 19643 1 431 . 1 1 44 44 ILE H H 1 7.830 0.020 . 1 . . . A 44 ILE H . 19643 1 432 . 1 1 44 44 ILE HA H 1 4.154 0.020 . 1 . . . A 44 ILE HA . 19643 1 433 . 1 1 44 44 ILE HB H 1 1.651 0.020 . 1 . . . A 44 ILE HB . 19643 1 434 . 1 1 44 44 ILE HG12 H 1 1.309 0.020 . 1 . . . A 44 ILE HG12 . 19643 1 435 . 1 1 44 44 ILE HG13 H 1 1.015 0.020 . 1 . . . A 44 ILE HG13 . 19643 1 436 . 1 1 44 44 ILE HG21 H 1 0.850 0.020 . 1 . . . A 44 ILE HG21 . 19643 1 437 . 1 1 44 44 ILE HG22 H 1 0.850 0.020 . 1 . . . A 44 ILE HG22 . 19643 1 438 . 1 1 44 44 ILE HG23 H 1 0.850 0.020 . 1 . . . A 44 ILE HG23 . 19643 1 439 . 1 1 44 44 ILE HD11 H 1 0.659 0.020 . 1 . . . A 44 ILE HD11 . 19643 1 440 . 1 1 44 44 ILE HD12 H 1 0.659 0.020 . 1 . . . A 44 ILE HD12 . 19643 1 441 . 1 1 44 44 ILE HD13 H 1 0.659 0.020 . 1 . . . A 44 ILE HD13 . 19643 1 442 . 1 1 44 44 ILE CA C 13 59.019 0.020 . 1 . . . A 44 ILE CA . 19643 1 443 . 1 1 44 44 ILE CB C 13 38.216 0.020 . 1 . . . A 44 ILE CB . 19643 1 444 . 1 1 44 44 ILE CG1 C 13 27.537 0.003 . 1 . . . A 44 ILE CG1 . 19643 1 445 . 1 1 44 44 ILE CG2 C 13 16.395 0.020 . 1 . . . A 44 ILE CG2 . 19643 1 446 . 1 1 44 44 ILE CD1 C 13 11.371 0.020 . 1 . . . A 44 ILE CD1 . 19643 1 447 . 1 1 44 44 ILE N N 15 128.532 0.020 . 1 . . . A 44 ILE N . 19643 1 448 . 1 1 45 45 PRO HA H 1 4.181 0.020 . 1 . . . A 45 PRO HA . 19643 1 449 . 1 1 45 45 PRO HB2 H 1 1.819 0.020 . 1 . . . A 45 PRO HB2 . 19643 1 450 . 1 1 45 45 PRO HB3 H 1 2.246 0.020 . 1 . . . A 45 PRO HB3 . 19643 1 451 . 1 1 45 45 PRO HG2 H 1 2.081 0.020 . 1 . . . A 45 PRO HG2 . 19643 1 452 . 1 1 45 45 PRO HG3 H 1 2.081 0.020 . 1 . . . A 45 PRO HG3 . 19643 1 453 . 1 1 45 45 PRO HD2 H 1 4.121 0.020 . 1 . . . A 45 PRO HD2 . 19643 1 454 . 1 1 45 45 PRO HD3 H 1 3.614 0.020 . 1 . . . A 45 PRO HD3 . 19643 1 455 . 1 1 45 45 PRO CA C 13 64.113 0.020 . 1 . . . A 45 PRO CA . 19643 1 456 . 1 1 45 45 PRO CB C 13 31.385 0.020 . 1 . . . A 45 PRO CB . 19643 1 457 . 1 1 45 45 PRO CG C 13 27.725 0.020 . 1 . . . A 45 PRO CG . 19643 1 458 . 1 1 45 45 PRO CD C 13 51.402 0.005 . 1 . . . A 45 PRO CD . 19643 1 459 . 1 1 46 46 GLY H H 1 8.650 0.020 . 1 . . . A 46 GLY H . 19643 1 460 . 1 1 46 46 GLY HA2 H 1 3.663 0.020 . 1 . . . A 46 GLY HA2 . 19643 1 461 . 1 1 46 46 GLY HA3 H 1 4.101 0.020 . 1 . . . A 46 GLY HA3 . 19643 1 462 . 1 1 46 46 GLY CA C 13 45.363 0.004 . 1 . . . A 46 GLY CA . 19643 1 463 . 1 1 46 46 GLY N N 15 111.733 0.020 . 1 . . . A 46 GLY N . 19643 1 464 . 1 1 47 47 GLY H H 1 7.465 0.020 . 1 . . . A 47 GLY H . 19643 1 465 . 1 1 47 47 GLY HA2 H 1 3.906 0.020 . 1 . . . A 47 GLY HA2 . 19643 1 466 . 1 1 47 47 GLY HA3 H 1 4.204 0.020 . 1 . . . A 47 GLY HA3 . 19643 1 467 . 1 1 47 47 GLY CA C 13 44.651 0.033 . 1 . . . A 47 GLY CA . 19643 1 468 . 1 1 47 47 GLY N N 15 106.686 0.020 . 1 . . . A 47 GLY N . 19643 1 469 . 1 1 48 48 ALA H H 1 8.663 0.020 . 1 . . . A 48 ALA H . 19643 1 470 . 1 1 48 48 ALA HA H 1 4.028 0.020 . 1 . . . A 48 ALA HA . 19643 1 471 . 1 1 48 48 ALA HB1 H 1 1.567 0.020 . 1 . . . A 48 ALA HB1 . 19643 1 472 . 1 1 48 48 ALA HB2 H 1 1.567 0.020 . 1 . . . A 48 ALA HB2 . 19643 1 473 . 1 1 48 48 ALA HB3 H 1 1.567 0.020 . 1 . . . A 48 ALA HB3 . 19643 1 474 . 1 1 48 48 ALA CA C 13 55.583 0.020 . 1 . . . A 48 ALA CA . 19643 1 475 . 1 1 48 48 ALA CB C 13 17.954 0.020 . 1 . . . A 48 ALA CB . 19643 1 476 . 1 1 48 48 ALA N N 15 120.883 0.020 . 1 . . . A 48 ALA N . 19643 1 477 . 1 1 49 49 ALA H H 1 8.218 0.020 . 1 . . . A 49 ALA H . 19643 1 478 . 1 1 49 49 ALA HA H 1 4.178 0.020 . 1 . . . A 49 ALA HA . 19643 1 479 . 1 1 49 49 ALA HB1 H 1 1.449 0.020 . 1 . . . A 49 ALA HB1 . 19643 1 480 . 1 1 49 49 ALA HB2 H 1 1.449 0.020 . 1 . . . A 49 ALA HB2 . 19643 1 481 . 1 1 49 49 ALA HB3 H 1 1.449 0.020 . 1 . . . A 49 ALA HB3 . 19643 1 482 . 1 1 49 49 ALA CA C 13 54.808 0.020 . 1 . . . A 49 ALA CA . 19643 1 483 . 1 1 49 49 ALA CB C 13 18.874 0.020 . 1 . . . A 49 ALA CB . 19643 1 484 . 1 1 49 49 ALA N N 15 119.457 0.020 . 1 . . . A 49 ALA N . 19643 1 485 . 1 1 50 50 ALA H H 1 9.596 0.020 . 1 . . . A 50 ALA H . 19643 1 486 . 1 1 50 50 ALA HA H 1 3.913 0.020 . 1 . . . A 50 ALA HA . 19643 1 487 . 1 1 50 50 ALA HB1 H 1 1.461 0.020 . 1 . . . A 50 ALA HB1 . 19643 1 488 . 1 1 50 50 ALA HB2 H 1 1.461 0.020 . 1 . . . A 50 ALA HB2 . 19643 1 489 . 1 1 50 50 ALA HB3 H 1 1.461 0.020 . 1 . . . A 50 ALA HB3 . 19643 1 490 . 1 1 50 50 ALA CA C 13 54.904 0.020 . 1 . . . A 50 ALA CA . 19643 1 491 . 1 1 50 50 ALA CB C 13 18.788 0.020 . 1 . . . A 50 ALA CB . 19643 1 492 . 1 1 50 50 ALA N N 15 127.017 0.020 . 1 . . . A 50 ALA N . 19643 1 493 . 1 1 51 51 GLN H H 1 8.366 0.020 . 1 . . . A 51 GLN H . 19643 1 494 . 1 1 51 51 GLN HA H 1 3.901 0.020 . 1 . . . A 51 GLN HA . 19643 1 495 . 1 1 51 51 GLN HB2 H 1 2.037 0.020 . 1 . . . A 51 GLN HB2 . 19643 1 496 . 1 1 51 51 GLN HB3 H 1 2.037 0.020 . 1 . . . A 51 GLN HB3 . 19643 1 497 . 1 1 51 51 GLN HG2 H 1 2.373 0.020 . 1 . . . A 51 GLN HG2 . 19643 1 498 . 1 1 51 51 GLN HG3 H 1 2.245 0.020 . 1 . . . A 51 GLN HG3 . 19643 1 499 . 1 1 51 51 GLN CA C 13 58.538 0.020 . 1 . . . A 51 GLN CA . 19643 1 500 . 1 1 51 51 GLN CB C 13 28.698 0.020 . 1 . . . A 51 GLN CB . 19643 1 501 . 1 1 51 51 GLN CG C 13 34.091 0.012 . 1 . . . A 51 GLN CG . 19643 1 502 . 1 1 51 51 GLN N N 15 117.131 0.020 . 1 . . . A 51 GLN N . 19643 1 503 . 1 1 52 52 ASP H H 1 7.623 0.020 . 1 . . . A 52 ASP H . 19643 1 504 . 1 1 52 52 ASP HA H 1 4.361 0.020 . 1 . . . A 52 ASP HA . 19643 1 505 . 1 1 52 52 ASP HB2 H 1 2.447 0.020 . 1 . . . A 52 ASP HB2 . 19643 1 506 . 1 1 52 52 ASP HB3 H 1 2.713 0.020 . 1 . . . A 52 ASP HB3 . 19643 1 507 . 1 1 52 52 ASP CA C 13 56.900 0.020 . 1 . . . A 52 ASP CA . 19643 1 508 . 1 1 52 52 ASP CB C 13 43.711 0.020 . 1 . . . A 52 ASP CB . 19643 1 509 . 1 1 52 52 ASP N N 15 118.091 0.020 . 1 . . . A 52 ASP N . 19643 1 510 . 1 1 53 53 GLY H H 1 7.463 0.020 . 1 . . . A 53 GLY H . 19643 1 511 . 1 1 53 53 GLY HA2 H 1 3.765 0.020 . 1 . . . A 53 GLY HA2 . 19643 1 512 . 1 1 53 53 GLY HA3 H 1 3.993 0.020 . 1 . . . A 53 GLY HA3 . 19643 1 513 . 1 1 53 53 GLY CA C 13 46.365 0.020 . 1 . . . A 53 GLY CA . 19643 1 514 . 1 1 53 53 GLY N N 15 102.763 0.020 . 1 . . . A 53 GLY N . 19643 1 515 . 1 1 54 54 ARG H H 1 7.661 0.020 . 1 . . . A 54 ARG H . 19643 1 516 . 1 1 54 54 ARG HA H 1 4.173 0.020 . 1 . . . A 54 ARG HA . 19643 1 517 . 1 1 54 54 ARG HB2 H 1 1.631 0.020 . 1 . . . A 54 ARG HB2 . 19643 1 518 . 1 1 54 54 ARG HB3 H 1 1.755 0.020 . 1 . . . A 54 ARG HB3 . 19643 1 519 . 1 1 54 54 ARG CA C 13 58.375 0.020 . 1 . . . A 54 ARG CA . 19643 1 520 . 1 1 54 54 ARG CB C 13 33.306 0.020 . 1 . . . A 54 ARG CB . 19643 1 521 . 1 1 54 54 ARG N N 15 119.861 0.020 . 1 . . . A 54 ARG N . 19643 1 522 . 1 1 55 55 LEU H H 1 9.041 0.020 . 1 . . . A 55 LEU H . 19643 1 523 . 1 1 55 55 LEU HA H 1 3.768 0.020 . 1 . . . A 55 LEU HA . 19643 1 524 . 1 1 55 55 LEU HB2 H 1 1.231 0.020 . 1 . . . A 55 LEU HB2 . 19643 1 525 . 1 1 55 55 LEU HB3 H 1 0.989 0.020 . 1 . . . A 55 LEU HB3 . 19643 1 526 . 1 1 55 55 LEU HG H 1 1.416 0.020 . 1 . . . A 55 LEU HG . 19643 1 527 . 1 1 55 55 LEU HD11 H 1 0.476 0.020 . 1 . . . A 55 LEU HD11 . 19643 1 528 . 1 1 55 55 LEU HD12 H 1 0.476 0.020 . 1 . . . A 55 LEU HD12 . 19643 1 529 . 1 1 55 55 LEU HD13 H 1 0.476 0.020 . 1 . . . A 55 LEU HD13 . 19643 1 530 . 1 1 55 55 LEU HD21 H 1 0.158 0.020 . 1 . . . A 55 LEU HD21 . 19643 1 531 . 1 1 55 55 LEU HD22 H 1 0.158 0.020 . 1 . . . A 55 LEU HD22 . 19643 1 532 . 1 1 55 55 LEU HD23 H 1 0.158 0.020 . 1 . . . A 55 LEU HD23 . 19643 1 533 . 1 1 55 55 LEU CA C 13 55.238 0.020 . 1 . . . A 55 LEU CA . 19643 1 534 . 1 1 55 55 LEU CB C 13 43.340 0.001 . 1 . . . A 55 LEU CB . 19643 1 535 . 1 1 55 55 LEU CG C 13 26.608 0.020 . 1 . . . A 55 LEU CG . 19643 1 536 . 1 1 55 55 LEU CD1 C 13 25.500 0.020 . 1 . . . A 55 LEU CD1 . 19643 1 537 . 1 1 55 55 LEU CD2 C 13 25.260 0.020 . 1 . . . A 55 LEU CD2 . 19643 1 538 . 1 1 55 55 LEU N N 15 120.459 0.020 . 1 . . . A 55 LEU N . 19643 1 539 . 1 1 56 56 ARG H H 1 8.591 0.020 . 1 . . . A 56 ARG H . 19643 1 540 . 1 1 56 56 ARG HA H 1 4.440 0.020 . 1 . . . A 56 ARG HA . 19643 1 541 . 1 1 56 56 ARG HB2 H 1 1.573 0.020 . 1 . . . A 56 ARG HB2 . 19643 1 542 . 1 1 56 56 ARG HB3 H 1 1.777 0.020 . 1 . . . A 56 ARG HB3 . 19643 1 543 . 1 1 56 56 ARG HG2 H 1 1.573 0.020 . 1 . . . A 56 ARG HG2 . 19643 1 544 . 1 1 56 56 ARG HG3 H 1 1.452 0.020 . 1 . . . A 56 ARG HG3 . 19643 1 545 . 1 1 56 56 ARG HD2 H 1 3.030 0.020 . 1 . . . A 56 ARG HD2 . 19643 1 546 . 1 1 56 56 ARG HD3 H 1 2.846 0.020 . 1 . . . A 56 ARG HD3 . 19643 1 547 . 1 1 56 56 ARG CA C 13 53.209 0.020 . 1 . . . A 56 ARG CA . 19643 1 548 . 1 1 56 56 ARG CB C 13 32.830 0.020 . 1 . . . A 56 ARG CB . 19643 1 549 . 1 1 56 56 ARG CG C 13 26.260 0.007 . 1 . . . A 56 ARG CG . 19643 1 550 . 1 1 56 56 ARG CD C 13 44.094 0.001 . 1 . . . A 56 ARG CD . 19643 1 551 . 1 1 56 56 ARG N N 15 122.213 0.020 . 1 . . . A 56 ARG N . 19643 1 552 . 1 1 57 57 VAL H H 1 8.251 0.020 . 1 . . . A 57 VAL H . 19643 1 553 . 1 1 57 57 VAL HA H 1 3.152 0.020 . 1 . . . A 57 VAL HA . 19643 1 554 . 1 1 57 57 VAL HB H 1 1.730 0.020 . 1 . . . A 57 VAL HB . 19643 1 555 . 1 1 57 57 VAL HG11 H 1 0.825 0.020 . 1 . . . A 57 VAL HG11 . 19643 1 556 . 1 1 57 57 VAL HG12 H 1 0.825 0.020 . 1 . . . A 57 VAL HG12 . 19643 1 557 . 1 1 57 57 VAL HG13 H 1 0.825 0.020 . 1 . . . A 57 VAL HG13 . 19643 1 558 . 1 1 57 57 VAL HG21 H 1 0.830 0.020 . 1 . . . A 57 VAL HG21 . 19643 1 559 . 1 1 57 57 VAL HG22 H 1 0.830 0.020 . 1 . . . A 57 VAL HG22 . 19643 1 560 . 1 1 57 57 VAL HG23 H 1 0.830 0.020 . 1 . . . A 57 VAL HG23 . 19643 1 561 . 1 1 57 57 VAL CA C 13 65.524 0.020 . 1 . . . A 57 VAL CA . 19643 1 562 . 1 1 57 57 VAL CB C 13 31.161 0.020 . 1 . . . A 57 VAL CB . 19643 1 563 . 1 1 57 57 VAL CG1 C 13 23.081 0.020 . 1 . . . A 57 VAL CG1 . 19643 1 564 . 1 1 57 57 VAL CG2 C 13 21.227 0.020 . 1 . . . A 57 VAL CG2 . 19643 1 565 . 1 1 57 57 VAL N N 15 120.461 0.020 . 1 . . . A 57 VAL N . 19643 1 566 . 1 1 58 58 ASN H H 1 9.339 0.020 . 1 . . . A 58 ASN H . 19643 1 567 . 1 1 58 58 ASN HA H 1 4.290 0.020 . 1 . . . A 58 ASN HA . 19643 1 568 . 1 1 58 58 ASN HB2 H 1 3.301 0.020 . 1 . . . A 58 ASN HB2 . 19643 1 569 . 1 1 58 58 ASN HB3 H 1 3.068 0.020 . 1 . . . A 58 ASN HB3 . 19643 1 570 . 1 1 58 58 ASN CA C 13 56.348 0.020 . 1 . . . A 58 ASN CA . 19643 1 571 . 1 1 58 58 ASN CB C 13 36.993 0.020 . 1 . . . A 58 ASN CB . 19643 1 572 . 1 1 58 58 ASN N N 15 120.800 0.020 . 1 . . . A 58 ASN N . 19643 1 573 . 1 1 59 59 ASP H H 1 7.995 0.020 . 1 . . . A 59 ASP H . 19643 1 574 . 1 1 59 59 ASP HA H 1 4.553 0.020 . 1 . . . A 59 ASP HA . 19643 1 575 . 1 1 59 59 ASP HB2 H 1 2.095 0.020 . 1 . . . A 59 ASP HB2 . 19643 1 576 . 1 1 59 59 ASP HB3 H 1 2.684 0.020 . 1 . . . A 59 ASP HB3 . 19643 1 577 . 1 1 59 59 ASP CA C 13 56.411 0.020 . 1 . . . A 59 ASP CA . 19643 1 578 . 1 1 59 59 ASP CB C 13 40.700 0.020 . 1 . . . A 59 ASP CB . 19643 1 579 . 1 1 59 59 ASP N N 15 122.628 0.020 . 1 . . . A 59 ASP N . 19643 1 580 . 1 1 60 60 SER H H 1 8.820 0.020 . 1 . . . A 60 SER H . 19643 1 581 . 1 1 60 60 SER HA H 1 5.391 0.020 . 1 . . . A 60 SER HA . 19643 1 582 . 1 1 60 60 SER HB2 H 1 3.352 0.020 . 1 . . . A 60 SER HB2 . 19643 1 583 . 1 1 60 60 SER HB3 H 1 3.301 0.020 . 1 . . . A 60 SER HB3 . 19643 1 584 . 1 1 60 60 SER CA C 13 55.105 0.020 . 1 . . . A 60 SER CA . 19643 1 585 . 1 1 60 60 SER CB C 13 65.259 0.020 . 1 . . . A 60 SER CB . 19643 1 586 . 1 1 60 60 SER N N 15 115.152 0.020 . 1 . . . A 60 SER N . 19643 1 587 . 1 1 61 61 ILE H H 1 7.883 0.020 . 1 . . . A 61 ILE H . 19643 1 588 . 1 1 61 61 ILE HA H 1 3.908 0.020 . 1 . . . A 61 ILE HA . 19643 1 589 . 1 1 61 61 ILE HB H 1 1.327 0.020 . 1 . . . A 61 ILE HB . 19643 1 590 . 1 1 61 61 ILE HG12 H 1 1.406 0.020 . 1 . . . A 61 ILE HG12 . 19643 1 591 . 1 1 61 61 ILE HG13 H 1 0.535 0.020 . 1 . . . A 61 ILE HG13 . 19643 1 592 . 1 1 61 61 ILE HG21 H 1 0.593 0.020 . 1 . . . A 61 ILE HG21 . 19643 1 593 . 1 1 61 61 ILE HG22 H 1 0.593 0.020 . 1 . . . A 61 ILE HG22 . 19643 1 594 . 1 1 61 61 ILE HG23 H 1 0.593 0.020 . 1 . . . A 61 ILE HG23 . 19643 1 595 . 1 1 61 61 ILE HD11 H 1 0.690 0.020 . 1 . . . A 61 ILE HD11 . 19643 1 596 . 1 1 61 61 ILE HD12 H 1 0.690 0.020 . 1 . . . A 61 ILE HD12 . 19643 1 597 . 1 1 61 61 ILE HD13 H 1 0.690 0.020 . 1 . . . A 61 ILE HD13 . 19643 1 598 . 1 1 61 61 ILE CA C 13 61.464 0.020 . 1 . . . A 61 ILE CA . 19643 1 599 . 1 1 61 61 ILE CB C 13 39.078 0.020 . 1 . . . A 61 ILE CB . 19643 1 600 . 1 1 61 61 ILE CG1 C 13 26.992 0.013 . 1 . . . A 61 ILE CG1 . 19643 1 601 . 1 1 61 61 ILE CG2 C 13 19.247 0.020 . 1 . . . A 61 ILE CG2 . 19643 1 602 . 1 1 61 61 ILE CD1 C 13 14.189 0.005 . 1 . . . A 61 ILE CD1 . 19643 1 603 . 1 1 61 61 ILE N N 15 123.216 0.020 . 1 . . . A 61 ILE N . 19643 1 604 . 1 1 62 62 LEU H H 1 9.263 0.020 . 1 . . . A 62 LEU H . 19643 1 605 . 1 1 62 62 LEU HA H 1 4.200 0.020 . 1 . . . A 62 LEU HA . 19643 1 606 . 1 1 62 62 LEU HB2 H 1 1.285 0.020 . 1 . . . A 62 LEU HB2 . 19643 1 607 . 1 1 62 62 LEU HB3 H 1 1.909 0.020 . 1 . . . A 62 LEU HB3 . 19643 1 608 . 1 1 62 62 LEU HG H 1 1.654 0.020 . 1 . . . A 62 LEU HG . 19643 1 609 . 1 1 62 62 LEU HD11 H 1 0.967 0.020 . 1 . . . A 62 LEU HD11 . 19643 1 610 . 1 1 62 62 LEU HD12 H 1 0.967 0.020 . 1 . . . A 62 LEU HD12 . 19643 1 611 . 1 1 62 62 LEU HD13 H 1 0.967 0.020 . 1 . . . A 62 LEU HD13 . 19643 1 612 . 1 1 62 62 LEU HD21 H 1 0.790 0.020 . 1 . . . A 62 LEU HD21 . 19643 1 613 . 1 1 62 62 LEU HD22 H 1 0.790 0.020 . 1 . . . A 62 LEU HD22 . 19643 1 614 . 1 1 62 62 LEU HD23 H 1 0.790 0.020 . 1 . . . A 62 LEU HD23 . 19643 1 615 . 1 1 62 62 LEU CA C 13 56.647 0.020 . 1 . . . A 62 LEU CA . 19643 1 616 . 1 1 62 62 LEU CB C 13 43.130 0.001 . 1 . . . A 62 LEU CB . 19643 1 617 . 1 1 62 62 LEU CG C 13 28.258 0.020 . 1 . . . A 62 LEU CG . 19643 1 618 . 1 1 62 62 LEU CD1 C 13 25.991 0.020 . 1 . . . A 62 LEU CD1 . 19643 1 619 . 1 1 62 62 LEU CD2 C 13 23.547 0.020 . 1 . . . A 62 LEU CD2 . 19643 1 620 . 1 1 62 62 LEU N N 15 126.711 0.020 . 1 . . . A 62 LEU N . 19643 1 621 . 1 1 63 63 PHE H H 1 7.382 0.020 . 1 . . . A 63 PHE H . 19643 1 622 . 1 1 63 63 PHE HA H 1 5.443 0.020 . 1 . . . A 63 PHE HA . 19643 1 623 . 1 1 63 63 PHE HB2 H 1 2.873 0.020 . 1 . . . A 63 PHE HB2 . 19643 1 624 . 1 1 63 63 PHE HB3 H 1 2.837 0.020 . 1 . . . A 63 PHE HB3 . 19643 1 625 . 1 1 63 63 PHE HD1 H 1 6.903 0.020 . 3 . . . A 63 PHE HD1 . 19643 1 626 . 1 1 63 63 PHE HD2 H 1 6.903 0.020 . 3 . . . A 63 PHE HD2 . 19643 1 627 . 1 1 63 63 PHE HE1 H 1 7.064 0.020 . 3 . . . A 63 PHE HE1 . 19643 1 628 . 1 1 63 63 PHE HE2 H 1 7.064 0.020 . 3 . . . A 63 PHE HE2 . 19643 1 629 . 1 1 63 63 PHE CA C 13 56.125 0.020 . 1 . . . A 63 PHE CA . 19643 1 630 . 1 1 63 63 PHE CB C 13 44.235 0.020 . 1 . . . A 63 PHE CB . 19643 1 631 . 1 1 63 63 PHE CD1 C 13 131.789 0.020 . 3 . . . A 63 PHE CD1 . 19643 1 632 . 1 1 63 63 PHE CD2 C 13 131.789 0.020 . 3 . . . A 63 PHE CD2 . 19643 1 633 . 1 1 63 63 PHE CE1 C 13 130.491 0.020 . 3 . . . A 63 PHE CE1 . 19643 1 634 . 1 1 63 63 PHE CE2 C 13 130.491 0.020 . 3 . . . A 63 PHE CE2 . 19643 1 635 . 1 1 63 63 PHE N N 15 111.486 0.020 . 1 . . . A 63 PHE N . 19643 1 636 . 1 1 64 64 VAL H H 1 8.747 0.020 . 1 . . . A 64 VAL H . 19643 1 637 . 1 1 64 64 VAL HA H 1 4.309 0.020 . 1 . . . A 64 VAL HA . 19643 1 638 . 1 1 64 64 VAL HB H 1 1.807 0.020 . 1 . . . A 64 VAL HB . 19643 1 639 . 1 1 64 64 VAL HG11 H 1 0.709 0.020 . 1 . . . A 64 VAL HG11 . 19643 1 640 . 1 1 64 64 VAL HG12 H 1 0.709 0.020 . 1 . . . A 64 VAL HG12 . 19643 1 641 . 1 1 64 64 VAL HG13 H 1 0.709 0.020 . 1 . . . A 64 VAL HG13 . 19643 1 642 . 1 1 64 64 VAL HG21 H 1 0.667 0.020 . 1 . . . A 64 VAL HG21 . 19643 1 643 . 1 1 64 64 VAL HG22 H 1 0.667 0.020 . 1 . . . A 64 VAL HG22 . 19643 1 644 . 1 1 64 64 VAL HG23 H 1 0.667 0.020 . 1 . . . A 64 VAL HG23 . 19643 1 645 . 1 1 64 64 VAL CA C 13 60.564 0.020 . 1 . . . A 64 VAL CA . 19643 1 646 . 1 1 64 64 VAL CB C 13 33.036 0.020 . 1 . . . A 64 VAL CB . 19643 1 647 . 1 1 64 64 VAL CG1 C 13 20.881 0.020 . 1 . . . A 64 VAL CG1 . 19643 1 648 . 1 1 64 64 VAL CG2 C 13 21.205 0.020 . 1 . . . A 64 VAL CG2 . 19643 1 649 . 1 1 64 64 VAL N N 15 120.758 0.020 . 1 . . . A 64 VAL N . 19643 1 650 . 1 1 65 65 ASN H H 1 10.034 0.020 . 1 . . . A 65 ASN H . 19643 1 651 . 1 1 65 65 ASN HA H 1 4.225 0.020 . 1 . . . A 65 ASN HA . 19643 1 652 . 1 1 65 65 ASN HB2 H 1 2.936 0.020 . 1 . . . A 65 ASN HB2 . 19643 1 653 . 1 1 65 65 ASN HB3 H 1 3.462 0.020 . 1 . . . A 65 ASN HB3 . 19643 1 654 . 1 1 65 65 ASN CA C 13 56.045 0.020 . 1 . . . A 65 ASN CA . 19643 1 655 . 1 1 65 65 ASN CB C 13 36.248 0.020 . 1 . . . A 65 ASN CB . 19643 1 656 . 1 1 65 65 ASN N N 15 126.150 0.020 . 1 . . . A 65 ASN N . 19643 1 657 . 1 1 67 67 VAL H H 1 8.917 0.020 . 1 . . . A 67 VAL H . 19643 1 658 . 1 1 67 67 VAL HA H 1 3.817 0.020 . 1 . . . A 67 VAL HA . 19643 1 659 . 1 1 67 67 VAL HB H 1 2.314 0.020 . 1 . . . A 67 VAL HB . 19643 1 660 . 1 1 67 67 VAL HG11 H 1 0.978 0.020 . 1 . . . A 67 VAL HG11 . 19643 1 661 . 1 1 67 67 VAL HG12 H 1 0.978 0.020 . 1 . . . A 67 VAL HG12 . 19643 1 662 . 1 1 67 67 VAL HG13 H 1 0.978 0.020 . 1 . . . A 67 VAL HG13 . 19643 1 663 . 1 1 67 67 VAL HG21 H 1 0.704 0.020 . 1 . . . A 67 VAL HG21 . 19643 1 664 . 1 1 67 67 VAL HG22 H 1 0.704 0.020 . 1 . . . A 67 VAL HG22 . 19643 1 665 . 1 1 67 67 VAL HG23 H 1 0.704 0.020 . 1 . . . A 67 VAL HG23 . 19643 1 666 . 1 1 67 67 VAL CA C 13 63.442 0.020 . 1 . . . A 67 VAL CA . 19643 1 667 . 1 1 67 67 VAL CB C 13 32.045 0.020 . 1 . . . A 67 VAL CB . 19643 1 668 . 1 1 67 67 VAL CG1 C 13 21.410 0.020 . 1 . . . A 67 VAL CG1 . 19643 1 669 . 1 1 67 67 VAL CG2 C 13 20.972 0.020 . 1 . . . A 67 VAL CG2 . 19643 1 670 . 1 1 67 67 VAL N N 15 124.346 0.020 . 1 . . . A 67 VAL N . 19643 1 671 . 1 1 68 68 ASP H H 1 8.393 0.020 . 1 . . . A 68 ASP H . 19643 1 672 . 1 1 68 68 ASP HA H 1 3.971 0.020 . 1 . . . A 68 ASP HA . 19643 1 673 . 1 1 68 68 ASP HB2 H 1 2.512 0.020 . 1 . . . A 68 ASP HB2 . 19643 1 674 . 1 1 68 68 ASP HB3 H 1 2.861 0.020 . 1 . . . A 68 ASP HB3 . 19643 1 675 . 1 1 68 68 ASP CA C 13 53.085 0.020 . 1 . . . A 68 ASP CA . 19643 1 676 . 1 1 68 68 ASP CB C 13 41.169 0.020 . 1 . . . A 68 ASP CB . 19643 1 677 . 1 1 68 68 ASP N N 15 127.980 0.020 . 1 . . . A 68 ASP N . 19643 1 678 . 1 1 69 69 VAL H H 1 8.213 0.020 . 1 . . . A 69 VAL H . 19643 1 679 . 1 1 69 69 VAL HA H 1 4.637 0.020 . 1 . . . A 69 VAL HA . 19643 1 680 . 1 1 69 69 VAL HB H 1 2.354 0.020 . 1 . . . A 69 VAL HB . 19643 1 681 . 1 1 69 69 VAL HG11 H 1 0.557 0.020 . 1 . . . A 69 VAL HG11 . 19643 1 682 . 1 1 69 69 VAL HG12 H 1 0.557 0.020 . 1 . . . A 69 VAL HG12 . 19643 1 683 . 1 1 69 69 VAL HG13 H 1 0.557 0.020 . 1 . . . A 69 VAL HG13 . 19643 1 684 . 1 1 69 69 VAL HG21 H 1 0.368 0.020 . 1 . . . A 69 VAL HG21 . 19643 1 685 . 1 1 69 69 VAL HG22 H 1 0.368 0.020 . 1 . . . A 69 VAL HG22 . 19643 1 686 . 1 1 69 69 VAL HG23 H 1 0.368 0.020 . 1 . . . A 69 VAL HG23 . 19643 1 687 . 1 1 69 69 VAL CA C 13 58.985 0.020 . 1 . . . A 69 VAL CA . 19643 1 688 . 1 1 69 69 VAL CB C 13 29.893 0.020 . 1 . . . A 69 VAL CB . 19643 1 689 . 1 1 69 69 VAL CG1 C 13 21.028 0.020 . 1 . . . A 69 VAL CG1 . 19643 1 690 . 1 1 69 69 VAL CG2 C 13 19.682 0.020 . 1 . . . A 69 VAL CG2 . 19643 1 691 . 1 1 69 69 VAL N N 15 120.432 0.020 . 1 . . . A 69 VAL N . 19643 1 692 . 1 1 70 70 ARG H H 1 8.172 0.020 . 1 . . . A 70 ARG H . 19643 1 693 . 1 1 70 70 ARG HA H 1 4.132 0.020 . 1 . . . A 70 ARG HA . 19643 1 694 . 1 1 70 70 ARG HB2 H 1 1.637 0.020 . 1 . . . A 70 ARG HB2 . 19643 1 695 . 1 1 70 70 ARG HB3 H 1 1.913 0.020 . 1 . . . A 70 ARG HB3 . 19643 1 696 . 1 1 70 70 ARG CA C 13 59.768 0.020 . 1 . . . A 70 ARG CA . 19643 1 697 . 1 1 70 70 ARG CB C 13 30.571 0.020 . 1 . . . A 70 ARG CB . 19643 1 698 . 1 1 70 70 ARG N N 15 122.630 0.020 . 1 . . . A 70 ARG N . 19643 1 699 . 1 1 71 71 GLU H H 1 8.327 0.020 . 1 . . . A 71 GLU H . 19643 1 700 . 1 1 71 71 GLU HA H 1 4.293 0.020 . 1 . . . A 71 GLU HA . 19643 1 701 . 1 1 71 71 GLU HB2 H 1 1.592 0.020 . 1 . . . A 71 GLU HB2 . 19643 1 702 . 1 1 71 71 GLU HB3 H 1 1.772 0.020 . 1 . . . A 71 GLU HB3 . 19643 1 703 . 1 1 71 71 GLU HG2 H 1 1.996 0.020 . 1 . . . A 71 GLU HG2 . 19643 1 704 . 1 1 71 71 GLU HG3 H 1 1.914 0.020 . 1 . . . A 71 GLU HG3 . 19643 1 705 . 1 1 71 71 GLU CA C 13 54.654 0.020 . 1 . . . A 71 GLU CA . 19643 1 706 . 1 1 71 71 GLU CB C 13 30.330 0.003 . 1 . . . A 71 GLU CB . 19643 1 707 . 1 1 71 71 GLU CG C 13 36.757 0.020 . 1 . . . A 71 GLU CG . 19643 1 708 . 1 1 71 71 GLU N N 15 120.164 0.020 . 1 . . . A 71 GLU N . 19643 1 709 . 1 1 72 72 VAL H H 1 9.379 0.020 . 1 . . . A 72 VAL H . 19643 1 710 . 1 1 72 72 VAL HA H 1 4.804 0.020 . 1 . . . A 72 VAL HA . 19643 1 711 . 1 1 72 72 VAL HB H 1 2.277 0.020 . 1 . . . A 72 VAL HB . 19643 1 712 . 1 1 72 72 VAL HG11 H 1 0.839 0.020 . 1 . . . A 72 VAL HG11 . 19643 1 713 . 1 1 72 72 VAL HG12 H 1 0.839 0.020 . 1 . . . A 72 VAL HG12 . 19643 1 714 . 1 1 72 72 VAL HG13 H 1 0.839 0.020 . 1 . . . A 72 VAL HG13 . 19643 1 715 . 1 1 72 72 VAL HG21 H 1 0.652 0.020 . 1 . . . A 72 VAL HG21 . 19643 1 716 . 1 1 72 72 VAL HG22 H 1 0.652 0.020 . 1 . . . A 72 VAL HG22 . 19643 1 717 . 1 1 72 72 VAL HG23 H 1 0.652 0.020 . 1 . . . A 72 VAL HG23 . 19643 1 718 . 1 1 72 72 VAL CA C 13 58.348 0.020 . 1 . . . A 72 VAL CA . 19643 1 719 . 1 1 72 72 VAL CB C 13 35.987 0.020 . 1 . . . A 72 VAL CB . 19643 1 720 . 1 1 72 72 VAL CG1 C 13 23.038 0.020 . 1 . . . A 72 VAL CG1 . 19643 1 721 . 1 1 72 72 VAL CG2 C 13 17.472 0.020 . 1 . . . A 72 VAL CG2 . 19643 1 722 . 1 1 72 72 VAL N N 15 118.241 0.020 . 1 . . . A 72 VAL N . 19643 1 723 . 1 1 73 73 THR H H 1 7.906 0.020 . 1 . . . A 73 THR H . 19643 1 724 . 1 1 73 73 THR HA H 1 4.311 0.020 . 1 . . . A 73 THR HA . 19643 1 725 . 1 1 73 73 THR HB H 1 4.682 0.020 . 1 . . . A 73 THR HB . 19643 1 726 . 1 1 73 73 THR HG21 H 1 1.137 0.020 . 1 . . . A 73 THR HG21 . 19643 1 727 . 1 1 73 73 THR HG22 H 1 1.137 0.020 . 1 . . . A 73 THR HG22 . 19643 1 728 . 1 1 73 73 THR HG23 H 1 1.137 0.020 . 1 . . . A 73 THR HG23 . 19643 1 729 . 1 1 73 73 THR CA C 13 61.446 0.020 . 1 . . . A 73 THR CA . 19643 1 730 . 1 1 73 73 THR CB C 13 70.324 0.020 . 1 . . . A 73 THR CB . 19643 1 731 . 1 1 73 73 THR CG2 C 13 22.246 0.020 . 1 . . . A 73 THR CG2 . 19643 1 732 . 1 1 73 73 THR N N 15 109.907 0.020 . 1 . . . A 73 THR N . 19643 1 733 . 1 1 74 74 HIS H H 1 10.184 0.020 . 1 . . . A 74 HIS H . 19643 1 734 . 1 1 74 74 HIS HA H 1 3.882 0.020 . 1 . . . A 74 HIS HA . 19643 1 735 . 1 1 74 74 HIS HB2 H 1 3.177 0.020 . 1 . . . A 74 HIS HB2 . 19643 1 736 . 1 1 74 74 HIS HB3 H 1 3.488 0.020 . 1 . . . A 74 HIS HB3 . 19643 1 737 . 1 1 74 74 HIS HE1 H 1 8.299 0.294 . 1 . . . A 74 HIS HE1 . 19643 1 738 . 1 1 74 74 HIS CA C 13 61.669 0.020 . 1 . . . A 74 HIS CA . 19643 1 739 . 1 1 74 74 HIS CB C 13 28.523 0.020 . 1 . . . A 74 HIS CB . 19643 1 740 . 1 1 74 74 HIS CE1 C 13 137.181 0.087 . 1 . . . A 74 HIS CE1 . 19643 1 741 . 1 1 74 74 HIS N N 15 122.235 0.020 . 1 . . . A 74 HIS N . 19643 1 742 . 1 1 75 75 SER H H 1 9.479 0.020 . 1 . . . A 75 SER H . 19643 1 743 . 1 1 75 75 SER HA H 1 3.962 0.020 . 1 . . . A 75 SER HA . 19643 1 744 . 1 1 75 75 SER HB2 H 1 3.810 0.020 . 1 . . . A 75 SER HB2 . 19643 1 745 . 1 1 75 75 SER HB3 H 1 3.810 0.020 . 1 . . . A 75 SER HB3 . 19643 1 746 . 1 1 75 75 SER CA C 13 61.889 0.020 . 1 . . . A 75 SER CA . 19643 1 747 . 1 1 75 75 SER CB C 13 62.708 0.020 . 1 . . . A 75 SER CB . 19643 1 748 . 1 1 75 75 SER N N 15 111.076 0.020 . 1 . . . A 75 SER N . 19643 1 749 . 1 1 76 76 ALA H H 1 7.714 0.020 . 1 . . . A 76 ALA H . 19643 1 750 . 1 1 76 76 ALA HA H 1 4.064 0.020 . 1 . . . A 76 ALA HA . 19643 1 751 . 1 1 76 76 ALA HB1 H 1 1.406 0.020 . 1 . . . A 76 ALA HB1 . 19643 1 752 . 1 1 76 76 ALA HB2 H 1 1.406 0.020 . 1 . . . A 76 ALA HB2 . 19643 1 753 . 1 1 76 76 ALA HB3 H 1 1.406 0.020 . 1 . . . A 76 ALA HB3 . 19643 1 754 . 1 1 76 76 ALA CA C 13 54.996 0.020 . 1 . . . A 76 ALA CA . 19643 1 755 . 1 1 76 76 ALA CB C 13 18.362 0.020 . 1 . . . A 76 ALA CB . 19643 1 756 . 1 1 76 76 ALA N N 15 125.241 0.020 . 1 . . . A 76 ALA N . 19643 1 757 . 1 1 77 77 ALA H H 1 7.876 0.020 . 1 . . . A 77 ALA H . 19643 1 758 . 1 1 77 77 ALA HA H 1 3.800 0.020 . 1 . . . A 77 ALA HA . 19643 1 759 . 1 1 77 77 ALA HB1 H 1 1.202 0.020 . 1 . . . A 77 ALA HB1 . 19643 1 760 . 1 1 77 77 ALA HB2 H 1 1.202 0.020 . 1 . . . A 77 ALA HB2 . 19643 1 761 . 1 1 77 77 ALA HB3 H 1 1.202 0.020 . 1 . . . A 77 ALA HB3 . 19643 1 762 . 1 1 77 77 ALA CA C 13 55.484 0.020 . 1 . . . A 77 ALA CA . 19643 1 763 . 1 1 77 77 ALA CB C 13 17.982 0.020 . 1 . . . A 77 ALA CB . 19643 1 764 . 1 1 77 77 ALA N N 15 123.063 0.020 . 1 . . . A 77 ALA N . 19643 1 765 . 1 1 78 78 VAL H H 1 7.856 0.020 . 1 . . . A 78 VAL H . 19643 1 766 . 1 1 78 78 VAL HA H 1 3.116 0.020 . 1 . . . A 78 VAL HA . 19643 1 767 . 1 1 78 78 VAL HB H 1 1.979 0.020 . 1 . . . A 78 VAL HB . 19643 1 768 . 1 1 78 78 VAL HG11 H 1 0.772 0.020 . 1 . . . A 78 VAL HG11 . 19643 1 769 . 1 1 78 78 VAL HG12 H 1 0.772 0.020 . 1 . . . A 78 VAL HG12 . 19643 1 770 . 1 1 78 78 VAL HG13 H 1 0.772 0.020 . 1 . . . A 78 VAL HG13 . 19643 1 771 . 1 1 78 78 VAL HG21 H 1 0.618 0.020 . 1 . . . A 78 VAL HG21 . 19643 1 772 . 1 1 78 78 VAL HG22 H 1 0.618 0.020 . 1 . . . A 78 VAL HG22 . 19643 1 773 . 1 1 78 78 VAL HG23 H 1 0.618 0.020 . 1 . . . A 78 VAL HG23 . 19643 1 774 . 1 1 78 78 VAL CA C 13 67.295 0.020 . 1 . . . A 78 VAL CA . 19643 1 775 . 1 1 78 78 VAL CB C 13 31.696 0.020 . 1 . . . A 78 VAL CB . 19643 1 776 . 1 1 78 78 VAL CG1 C 13 21.336 0.020 . 1 . . . A 78 VAL CG1 . 19643 1 777 . 1 1 78 78 VAL CG2 C 13 23.717 0.020 . 1 . . . A 78 VAL CG2 . 19643 1 778 . 1 1 78 78 VAL N N 15 117.348 0.020 . 1 . . . A 78 VAL N . 19643 1 779 . 1 1 79 79 GLU H H 1 8.209 0.020 . 1 . . . A 79 GLU H . 19643 1 780 . 1 1 79 79 GLU HA H 1 3.872 0.020 . 1 . . . A 79 GLU HA . 19643 1 781 . 1 1 79 79 GLU HB2 H 1 1.948 0.020 . 1 . . . A 79 GLU HB2 . 19643 1 782 . 1 1 79 79 GLU HB3 H 1 1.948 0.020 . 1 . . . A 79 GLU HB3 . 19643 1 783 . 1 1 79 79 GLU HG2 H 1 2.203 0.020 . 1 . . . A 79 GLU HG2 . 19643 1 784 . 1 1 79 79 GLU HG3 H 1 2.203 0.020 . 1 . . . A 79 GLU HG3 . 19643 1 785 . 1 1 79 79 GLU CA C 13 59.240 0.020 . 1 . . . A 79 GLU CA . 19643 1 786 . 1 1 79 79 GLU CB C 13 29.089 0.020 . 1 . . . A 79 GLU CB . 19643 1 787 . 1 1 79 79 GLU CG C 13 35.870 0.020 . 1 . . . A 79 GLU CG . 19643 1 788 . 1 1 79 79 GLU N N 15 119.021 0.020 . 1 . . . A 79 GLU N . 19643 1 789 . 1 1 80 80 ALA H H 1 7.902 0.020 . 1 . . . A 80 ALA H . 19643 1 790 . 1 1 80 80 ALA HA H 1 3.968 0.020 . 1 . . . A 80 ALA HA . 19643 1 791 . 1 1 80 80 ALA HB1 H 1 1.305 0.020 . 1 . . . A 80 ALA HB1 . 19643 1 792 . 1 1 80 80 ALA HB2 H 1 1.305 0.020 . 1 . . . A 80 ALA HB2 . 19643 1 793 . 1 1 80 80 ALA HB3 H 1 1.305 0.020 . 1 . . . A 80 ALA HB3 . 19643 1 794 . 1 1 80 80 ALA CA C 13 54.713 0.020 . 1 . . . A 80 ALA CA . 19643 1 795 . 1 1 80 80 ALA CB C 13 17.056 0.020 . 1 . . . A 80 ALA CB . 19643 1 796 . 1 1 80 80 ALA N N 15 120.115 0.020 . 1 . . . A 80 ALA N . 19643 1 797 . 1 1 81 81 LEU H H 1 7.675 0.020 . 1 . . . A 81 LEU H . 19643 1 798 . 1 1 81 81 LEU HA H 1 3.801 0.020 . 1 . . . A 81 LEU HA . 19643 1 799 . 1 1 81 81 LEU HB2 H 1 1.159 0.020 . 1 . . . A 81 LEU HB2 . 19643 1 800 . 1 1 81 81 LEU HB3 H 1 1.964 0.020 . 1 . . . A 81 LEU HB3 . 19643 1 801 . 1 1 81 81 LEU HG H 1 1.626 0.020 . 1 . . . A 81 LEU HG . 19643 1 802 . 1 1 81 81 LEU HD11 H 1 0.829 0.020 . 1 . . . A 81 LEU HD11 . 19643 1 803 . 1 1 81 81 LEU HD12 H 1 0.829 0.020 . 1 . . . A 81 LEU HD12 . 19643 1 804 . 1 1 81 81 LEU HD13 H 1 0.829 0.020 . 1 . . . A 81 LEU HD13 . 19643 1 805 . 1 1 81 81 LEU HD21 H 1 0.789 0.020 . 1 . . . A 81 LEU HD21 . 19643 1 806 . 1 1 81 81 LEU HD22 H 1 0.789 0.020 . 1 . . . A 81 LEU HD22 . 19643 1 807 . 1 1 81 81 LEU HD23 H 1 0.789 0.020 . 1 . . . A 81 LEU HD23 . 19643 1 808 . 1 1 81 81 LEU CA C 13 58.295 0.020 . 1 . . . A 81 LEU CA . 19643 1 809 . 1 1 81 81 LEU CB C 13 41.622 0.020 . 1 . . . A 81 LEU CB . 19643 1 810 . 1 1 81 81 LEU CG C 13 28.082 0.020 . 1 . . . A 81 LEU CG . 19643 1 811 . 1 1 81 81 LEU CD1 C 13 25.720 0.020 . 1 . . . A 81 LEU CD1 . 19643 1 812 . 1 1 81 81 LEU CD2 C 13 26.359 0.003 . 1 . . . A 81 LEU CD2 . 19643 1 813 . 1 1 81 81 LEU N N 15 116.561 0.020 . 1 . . . A 81 LEU N . 19643 1 814 . 1 1 82 82 LYS H H 1 8.544 0.020 . 1 . . . A 82 LYS H . 19643 1 815 . 1 1 82 82 LYS HA H 1 3.964 0.020 . 1 . . . A 82 LYS HA . 19643 1 816 . 1 1 82 82 LYS HB2 H 1 1.848 0.020 . 1 . . . A 82 LYS HB2 . 19643 1 817 . 1 1 82 82 LYS HB3 H 1 1.922 0.020 . 1 . . . A 82 LYS HB3 . 19643 1 818 . 1 1 82 82 LYS HG2 H 1 1.516 0.002 . 1 . . . A 82 LYS HG2 . 19643 1 819 . 1 1 82 82 LYS HG3 H 1 1.332 0.020 . 1 . . . A 82 LYS HG3 . 19643 1 820 . 1 1 82 82 LYS HD2 H 1 1.607 0.020 . 1 . . . A 82 LYS HD2 . 19643 1 821 . 1 1 82 82 LYS HD3 H 1 1.567 0.020 . 1 . . . A 82 LYS HD3 . 19643 1 822 . 1 1 82 82 LYS HE2 H 1 2.861 0.020 . 1 . . . A 82 LYS HE2 . 19643 1 823 . 1 1 82 82 LYS HE3 H 1 2.861 0.020 . 1 . . . A 82 LYS HE3 . 19643 1 824 . 1 1 82 82 LYS CA C 13 59.850 0.020 . 1 . . . A 82 LYS CA . 19643 1 825 . 1 1 82 82 LYS CB C 13 32.862 0.001 . 1 . . . A 82 LYS CB . 19643 1 826 . 1 1 82 82 LYS CG C 13 25.202 0.006 . 1 . . . A 82 LYS CG . 19643 1 827 . 1 1 82 82 LYS CD C 13 29.420 0.020 . 1 . . . A 82 LYS CD . 19643 1 828 . 1 1 82 82 LYS CE C 13 41.935 0.020 . 1 . . . A 82 LYS CE . 19643 1 829 . 1 1 82 82 LYS N N 15 121.600 0.020 . 1 . . . A 82 LYS N . 19643 1 830 . 1 1 83 83 GLU H H 1 8.103 0.020 . 1 . . . A 83 GLU H . 19643 1 831 . 1 1 83 83 GLU HA H 1 4.309 0.020 . 1 . . . A 83 GLU HA . 19643 1 832 . 1 1 83 83 GLU HB2 H 1 1.824 0.020 . 1 . . . A 83 GLU HB2 . 19643 1 833 . 1 1 83 83 GLU HB3 H 1 2.241 0.020 . 1 . . . A 83 GLU HB3 . 19643 1 834 . 1 1 83 83 GLU HG2 H 1 2.374 0.020 . 1 . . . A 83 GLU HG2 . 19643 1 835 . 1 1 83 83 GLU HG3 H 1 2.243 0.020 . 1 . . . A 83 GLU HG3 . 19643 1 836 . 1 1 83 83 GLU CA C 13 56.126 0.020 . 1 . . . A 83 GLU CA . 19643 1 837 . 1 1 83 83 GLU CB C 13 28.854 0.031 . 1 . . . A 83 GLU CB . 19643 1 838 . 1 1 83 83 GLU CG C 13 35.763 0.020 . 1 . . . A 83 GLU CG . 19643 1 839 . 1 1 83 83 GLU N N 15 115.395 0.020 . 1 . . . A 83 GLU N . 19643 1 840 . 1 1 84 84 ALA H H 1 6.731 0.020 . 1 . . . A 84 ALA H . 19643 1 841 . 1 1 84 84 ALA HA H 1 4.115 0.020 . 1 . . . A 84 ALA HA . 19643 1 842 . 1 1 84 84 ALA HB1 H 1 1.452 0.020 . 1 . . . A 84 ALA HB1 . 19643 1 843 . 1 1 84 84 ALA HB2 H 1 1.452 0.020 . 1 . . . A 84 ALA HB2 . 19643 1 844 . 1 1 84 84 ALA HB3 H 1 1.452 0.020 . 1 . . . A 84 ALA HB3 . 19643 1 845 . 1 1 84 84 ALA CA C 13 53.396 0.020 . 1 . . . A 84 ALA CA . 19643 1 846 . 1 1 84 84 ALA CB C 13 20.526 0.020 . 1 . . . A 84 ALA CB . 19643 1 847 . 1 1 84 84 ALA N N 15 119.693 0.020 . 1 . . . A 84 ALA N . 19643 1 848 . 1 1 85 85 GLY H H 1 8.023 0.020 . 1 . . . A 85 GLY H . 19643 1 849 . 1 1 85 85 GLY HA2 H 1 3.634 0.020 . 1 . . . A 85 GLY HA2 . 19643 1 850 . 1 1 85 85 GLY HA3 H 1 4.357 0.020 . 1 . . . A 85 GLY HA3 . 19643 1 851 . 1 1 85 85 GLY CA C 13 43.766 0.003 . 1 . . . A 85 GLY CA . 19643 1 852 . 1 1 85 85 GLY N N 15 104.439 0.020 . 1 . . . A 85 GLY N . 19643 1 853 . 1 1 86 86 SER H H 1 8.538 0.020 . 1 . . . A 86 SER H . 19643 1 854 . 1 1 86 86 SER HA H 1 4.129 0.020 . 1 . . . A 86 SER HA . 19643 1 855 . 1 1 86 86 SER HB2 H 1 3.893 0.020 . 1 . . . A 86 SER HB2 . 19643 1 856 . 1 1 86 86 SER HB3 H 1 3.893 0.020 . 1 . . . A 86 SER HB3 . 19643 1 857 . 1 1 86 86 SER CA C 13 61.282 0.020 . 1 . . . A 86 SER CA . 19643 1 858 . 1 1 86 86 SER CB C 13 63.430 0.020 . 1 . . . A 86 SER CB . 19643 1 859 . 1 1 86 86 SER N N 15 115.110 0.020 . 1 . . . A 86 SER N . 19643 1 860 . 1 1 87 87 ILE H H 1 7.504 0.020 . 1 . . . A 87 ILE H . 19643 1 861 . 1 1 87 87 ILE HA H 1 4.643 0.020 . 1 . . . A 87 ILE HA . 19643 1 862 . 1 1 87 87 ILE HB H 1 1.718 0.020 . 1 . . . A 87 ILE HB . 19643 1 863 . 1 1 87 87 ILE HG12 H 1 1.388 0.020 . 1 . . . A 87 ILE HG12 . 19643 1 864 . 1 1 87 87 ILE HG13 H 1 1.056 0.020 . 1 . . . A 87 ILE HG13 . 19643 1 865 . 1 1 87 87 ILE HG21 H 1 0.655 0.003 . 1 . . . A 87 ILE HG21 . 19643 1 866 . 1 1 87 87 ILE HG22 H 1 0.655 0.003 . 1 . . . A 87 ILE HG22 . 19643 1 867 . 1 1 87 87 ILE HG23 H 1 0.655 0.003 . 1 . . . A 87 ILE HG23 . 19643 1 868 . 1 1 87 87 ILE HD11 H 1 0.717 0.020 . 1 . . . A 87 ILE HD11 . 19643 1 869 . 1 1 87 87 ILE HD12 H 1 0.717 0.020 . 1 . . . A 87 ILE HD12 . 19643 1 870 . 1 1 87 87 ILE HD13 H 1 0.717 0.020 . 1 . . . A 87 ILE HD13 . 19643 1 871 . 1 1 87 87 ILE CA C 13 59.954 0.020 . 1 . . . A 87 ILE CA . 19643 1 872 . 1 1 87 87 ILE CB C 13 38.233 0.020 . 1 . . . A 87 ILE CB . 19643 1 873 . 1 1 87 87 ILE CG1 C 13 26.976 0.062 . 1 . . . A 87 ILE CG1 . 19643 1 874 . 1 1 87 87 ILE CG2 C 13 17.740 0.062 . 1 . . . A 87 ILE CG2 . 19643 1 875 . 1 1 87 87 ILE CD1 C 13 11.812 0.020 . 1 . . . A 87 ILE CD1 . 19643 1 876 . 1 1 87 87 ILE N N 15 120.535 0.020 . 1 . . . A 87 ILE N . 19643 1 877 . 1 1 88 88 VAL H H 1 9.101 0.020 . 1 . . . A 88 VAL H . 19643 1 878 . 1 1 88 88 VAL HA H 1 4.258 0.020 . 1 . . . A 88 VAL HA . 19643 1 879 . 1 1 88 88 VAL HB H 1 1.853 0.020 . 1 . . . A 88 VAL HB . 19643 1 880 . 1 1 88 88 VAL HG11 H 1 0.718 0.020 . 1 . . . A 88 VAL HG11 . 19643 1 881 . 1 1 88 88 VAL HG12 H 1 0.718 0.020 . 1 . . . A 88 VAL HG12 . 19643 1 882 . 1 1 88 88 VAL HG13 H 1 0.718 0.020 . 1 . . . A 88 VAL HG13 . 19643 1 883 . 1 1 88 88 VAL HG21 H 1 0.719 0.001 . 1 . . . A 88 VAL HG21 . 19643 1 884 . 1 1 88 88 VAL HG22 H 1 0.719 0.001 . 1 . . . A 88 VAL HG22 . 19643 1 885 . 1 1 88 88 VAL HG23 H 1 0.719 0.001 . 1 . . . A 88 VAL HG23 . 19643 1 886 . 1 1 88 88 VAL CA C 13 61.734 0.020 . 1 . . . A 88 VAL CA . 19643 1 887 . 1 1 88 88 VAL CB C 13 34.214 0.020 . 1 . . . A 88 VAL CB . 19643 1 888 . 1 1 88 88 VAL CG1 C 13 22.316 0.020 . 1 . . . A 88 VAL CG1 . 19643 1 889 . 1 1 88 88 VAL CG2 C 13 21.764 0.031 . 1 . . . A 88 VAL CG2 . 19643 1 890 . 1 1 88 88 VAL N N 15 127.851 0.020 . 1 . . . A 88 VAL N . 19643 1 891 . 1 1 89 89 ARG H H 1 8.814 0.020 . 1 . . . A 89 ARG H . 19643 1 892 . 1 1 89 89 ARG HA H 1 4.791 0.020 . 1 . . . A 89 ARG HA . 19643 1 893 . 1 1 89 89 ARG HB2 H 1 1.822 0.020 . 1 . . . A 89 ARG HB2 . 19643 1 894 . 1 1 89 89 ARG HB3 H 1 1.742 0.020 . 1 . . . A 89 ARG HB3 . 19643 1 895 . 1 1 89 89 ARG HG2 H 1 1.498 0.020 . 1 . . . A 89 ARG HG2 . 19643 1 896 . 1 1 89 89 ARG HG3 H 1 1.390 0.020 . 1 . . . A 89 ARG HG3 . 19643 1 897 . 1 1 89 89 ARG HD2 H 1 3.048 0.020 . 1 . . . A 89 ARG HD2 . 19643 1 898 . 1 1 89 89 ARG HD3 H 1 3.048 0.020 . 1 . . . A 89 ARG HD3 . 19643 1 899 . 1 1 89 89 ARG CA C 13 54.776 0.020 . 1 . . . A 89 ARG CA . 19643 1 900 . 1 1 89 89 ARG CB C 13 30.802 0.003 . 1 . . . A 89 ARG CB . 19643 1 901 . 1 1 89 89 ARG CG C 13 27.213 0.001 . 1 . . . A 89 ARG CG . 19643 1 902 . 1 1 89 89 ARG CD C 13 43.493 0.020 . 1 . . . A 89 ARG CD . 19643 1 903 . 1 1 89 89 ARG N N 15 127.712 0.020 . 1 . . . A 89 ARG N . 19643 1 904 . 1 1 90 90 LEU H H 1 9.496 0.020 . 1 . . . A 90 LEU H . 19643 1 905 . 1 1 90 90 LEU HA H 1 5.131 0.020 . 1 . . . A 90 LEU HA . 19643 1 906 . 1 1 90 90 LEU HB2 H 1 1.020 0.020 . 1 . . . A 90 LEU HB2 . 19643 1 907 . 1 1 90 90 LEU HB3 H 1 1.881 0.020 . 1 . . . A 90 LEU HB3 . 19643 1 908 . 1 1 90 90 LEU HG H 1 1.632 0.020 . 1 . . . A 90 LEU HG . 19643 1 909 . 1 1 90 90 LEU HD11 H 1 0.840 0.020 . 1 . . . A 90 LEU HD11 . 19643 1 910 . 1 1 90 90 LEU HD12 H 1 0.840 0.020 . 1 . . . A 90 LEU HD12 . 19643 1 911 . 1 1 90 90 LEU HD13 H 1 0.840 0.020 . 1 . . . A 90 LEU HD13 . 19643 1 912 . 1 1 90 90 LEU HD21 H 1 0.720 0.020 . 1 . . . A 90 LEU HD21 . 19643 1 913 . 1 1 90 90 LEU HD22 H 1 0.720 0.020 . 1 . . . A 90 LEU HD22 . 19643 1 914 . 1 1 90 90 LEU HD23 H 1 0.720 0.020 . 1 . . . A 90 LEU HD23 . 19643 1 915 . 1 1 90 90 LEU CA C 13 52.914 0.020 . 1 . . . A 90 LEU CA . 19643 1 916 . 1 1 90 90 LEU CB C 13 44.107 0.020 . 1 . . . A 90 LEU CB . 19643 1 917 . 1 1 90 90 LEU CG C 13 26.565 0.020 . 1 . . . A 90 LEU CG . 19643 1 918 . 1 1 90 90 LEU CD1 C 13 25.304 0.020 . 1 . . . A 90 LEU CD1 . 19643 1 919 . 1 1 90 90 LEU CD2 C 13 27.273 0.020 . 1 . . . A 90 LEU CD2 . 19643 1 920 . 1 1 90 90 LEU N N 15 127.483 0.020 . 1 . . . A 90 LEU N . 19643 1 921 . 1 1 91 91 TYR H H 1 8.488 0.020 . 1 . . . A 91 TYR H . 19643 1 922 . 1 1 91 91 TYR HA H 1 5.349 0.020 . 1 . . . A 91 TYR HA . 19643 1 923 . 1 1 91 91 TYR HB2 H 1 3.007 0.020 . 1 . . . A 91 TYR HB2 . 19643 1 924 . 1 1 91 91 TYR HB3 H 1 3.266 0.020 . 1 . . . A 91 TYR HB3 . 19643 1 925 . 1 1 91 91 TYR HD1 H 1 7.002 0.020 . 3 . . . A 91 TYR HD1 . 19643 1 926 . 1 1 91 91 TYR HD2 H 1 7.002 0.020 . 3 . . . A 91 TYR HD2 . 19643 1 927 . 1 1 91 91 TYR HE1 H 1 6.584 0.020 . 3 . . . A 91 TYR HE1 . 19643 1 928 . 1 1 91 91 TYR HE2 H 1 6.584 0.020 . 3 . . . A 91 TYR HE2 . 19643 1 929 . 1 1 91 91 TYR CA C 13 56.951 0.020 . 1 . . . A 91 TYR CA . 19643 1 930 . 1 1 91 91 TYR CB C 13 40.246 0.020 . 1 . . . A 91 TYR CB . 19643 1 931 . 1 1 91 91 TYR CD1 C 13 132.493 0.020 . 3 . . . A 91 TYR CD1 . 19643 1 932 . 1 1 91 91 TYR CD2 C 13 132.493 0.020 . 3 . . . A 91 TYR CD2 . 19643 1 933 . 1 1 91 91 TYR CE1 C 13 117.913 0.020 . 3 . . . A 91 TYR CE1 . 19643 1 934 . 1 1 91 91 TYR CE2 C 13 117.913 0.020 . 3 . . . A 91 TYR CE2 . 19643 1 935 . 1 1 91 91 TYR N N 15 125.830 0.020 . 1 . . . A 91 TYR N . 19643 1 936 . 1 1 92 92 VAL H H 1 8.770 0.020 . 1 . . . A 92 VAL H . 19643 1 937 . 1 1 92 92 VAL HA H 1 5.474 0.020 . 1 . . . A 92 VAL HA . 19643 1 938 . 1 1 92 92 VAL HB H 1 1.943 0.020 . 1 . . . A 92 VAL HB . 19643 1 939 . 1 1 92 92 VAL HG11 H 1 0.581 0.020 . 1 . . . A 92 VAL HG11 . 19643 1 940 . 1 1 92 92 VAL HG12 H 1 0.581 0.020 . 1 . . . A 92 VAL HG12 . 19643 1 941 . 1 1 92 92 VAL HG13 H 1 0.581 0.020 . 1 . . . A 92 VAL HG13 . 19643 1 942 . 1 1 92 92 VAL HG21 H 1 0.605 0.020 . 1 . . . A 92 VAL HG21 . 19643 1 943 . 1 1 92 92 VAL HG22 H 1 0.605 0.020 . 1 . . . A 92 VAL HG22 . 19643 1 944 . 1 1 92 92 VAL HG23 H 1 0.605 0.020 . 1 . . . A 92 VAL HG23 . 19643 1 945 . 1 1 92 92 VAL CA C 13 58.412 0.020 . 1 . . . A 92 VAL CA . 19643 1 946 . 1 1 92 92 VAL CB C 13 35.357 0.020 . 1 . . . A 92 VAL CB . 19643 1 947 . 1 1 92 92 VAL CG1 C 13 20.949 0.020 . 1 . . . A 92 VAL CG1 . 19643 1 948 . 1 1 92 92 VAL CG2 C 13 18.602 0.020 . 1 . . . A 92 VAL CG2 . 19643 1 949 . 1 1 92 92 VAL N N 15 121.091 0.020 . 1 . . . A 92 VAL N . 19643 1 950 . 1 1 93 93 MET H H 1 8.694 0.020 . 1 . . . A 93 MET H . 19643 1 951 . 1 1 93 93 MET HA H 1 5.103 0.020 . 1 . . . A 93 MET HA . 19643 1 952 . 1 1 93 93 MET HB2 H 1 1.584 0.020 . 1 . . . A 93 MET HB2 . 19643 1 953 . 1 1 93 93 MET HB3 H 1 1.644 0.020 . 1 . . . A 93 MET HB3 . 19643 1 954 . 1 1 93 93 MET CA C 13 53.151 0.020 . 1 . . . A 93 MET CA . 19643 1 955 . 1 1 93 93 MET CB C 13 36.981 0.020 . 1 . . . A 93 MET CB . 19643 1 956 . 1 1 93 93 MET N N 15 118.712 0.020 . 1 . . . A 93 MET N . 19643 1 957 . 1 1 94 94 ARG H H 1 8.885 0.020 . 1 . . . A 94 ARG H . 19643 1 958 . 1 1 94 94 ARG HA H 1 4.840 0.020 . 1 . . . A 94 ARG HA . 19643 1 959 . 1 1 94 94 ARG HB2 H 1 1.568 0.020 . 1 . . . A 94 ARG HB2 . 19643 1 960 . 1 1 94 94 ARG HB3 H 1 2.186 0.020 . 1 . . . A 94 ARG HB3 . 19643 1 961 . 1 1 94 94 ARG CA C 13 54.005 0.020 . 1 . . . A 94 ARG CA . 19643 1 962 . 1 1 94 94 ARG CB C 13 34.135 0.020 . 1 . . . A 94 ARG CB . 19643 1 963 . 1 1 94 94 ARG N N 15 122.359 0.020 . 1 . . . A 94 ARG N . 19643 1 964 . 1 1 95 95 ARG H H 1 8.294 0.020 . 1 . . . A 95 ARG H . 19643 1 965 . 1 1 95 95 ARG HA H 1 4.616 0.020 . 1 . . . A 95 ARG HA . 19643 1 966 . 1 1 95 95 ARG HB2 H 1 1.590 0.020 . 1 . . . A 95 ARG HB2 . 19643 1 967 . 1 1 95 95 ARG HB3 H 1 1.686 0.020 . 1 . . . A 95 ARG HB3 . 19643 1 968 . 1 1 95 95 ARG HG2 H 1 1.610 0.020 . 1 . . . A 95 ARG HG2 . 19643 1 969 . 1 1 95 95 ARG HG3 H 1 1.532 0.020 . 1 . . . A 95 ARG HG3 . 19643 1 970 . 1 1 95 95 ARG HD2 H 1 3.108 0.020 . 1 . . . A 95 ARG HD2 . 19643 1 971 . 1 1 95 95 ARG HD3 H 1 3.108 0.020 . 1 . . . A 95 ARG HD3 . 19643 1 972 . 1 1 95 95 ARG CA C 13 55.548 0.020 . 1 . . . A 95 ARG CA . 19643 1 973 . 1 1 95 95 ARG CB C 13 30.811 0.005 . 1 . . . A 95 ARG CB . 19643 1 974 . 1 1 95 95 ARG CG C 13 27.793 0.001 . 1 . . . A 95 ARG CG . 19643 1 975 . 1 1 95 95 ARG CD C 13 43.372 0.020 . 1 . . . A 95 ARG CD . 19643 1 976 . 1 1 95 95 ARG N N 15 120.747 0.020 . 1 . . . A 95 ARG N . 19643 1 977 . 1 1 96 96 LYS H H 1 8.455 0.020 . 1 . . . A 96 LYS H . 19643 1 978 . 1 1 96 96 LYS HA H 1 4.364 0.020 . 1 . . . A 96 LYS HA . 19643 1 979 . 1 1 96 96 LYS HB2 H 1 1.438 0.020 . 1 . . . A 96 LYS HB2 . 19643 1 980 . 1 1 96 96 LYS HB3 H 1 1.660 0.020 . 1 . . . A 96 LYS HB3 . 19643 1 981 . 1 1 96 96 LYS HG2 H 1 1.281 0.020 . 1 . . . A 96 LYS HG2 . 19643 1 982 . 1 1 96 96 LYS HG3 H 1 1.281 0.020 . 1 . . . A 96 LYS HG3 . 19643 1 983 . 1 1 96 96 LYS HD2 H 1 1.527 0.020 . 1 . . . A 96 LYS HD2 . 19643 1 984 . 1 1 96 96 LYS HD3 H 1 1.527 0.020 . 1 . . . A 96 LYS HD3 . 19643 1 985 . 1 1 96 96 LYS HE2 H 1 2.859 0.020 . 1 . . . A 96 LYS HE2 . 19643 1 986 . 1 1 96 96 LYS HE3 H 1 2.859 0.020 . 1 . . . A 96 LYS HE3 . 19643 1 987 . 1 1 96 96 LYS CA C 13 54.511 0.020 . 1 . . . A 96 LYS CA . 19643 1 988 . 1 1 96 96 LYS CB C 13 32.775 0.020 . 1 . . . A 96 LYS CB . 19643 1 989 . 1 1 96 96 LYS CG C 13 24.643 0.020 . 1 . . . A 96 LYS CG . 19643 1 990 . 1 1 96 96 LYS CD C 13 29.275 0.020 . 1 . . . A 96 LYS CD . 19643 1 991 . 1 1 96 96 LYS CE C 13 41.934 0.020 . 1 . . . A 96 LYS CE . 19643 1 992 . 1 1 96 96 LYS N N 15 125.436 0.020 . 1 . . . A 96 LYS N . 19643 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19643 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '2D 13C-15N F1-filtered NOESY-HSQC' . . . 19643 2 17 '2D 13C-15N F1-filtered TOCSY' . . . 19643 2 20 '3D 13C,15 F1-filtered 13C F3-edited NOESY-HSQC aliphatic' . . . 19643 2 21 '3D 13C,15 F1-filtered 13C F3-edited NOESY-HSQC aromatic' . . . 19643 2 22 '3D 13C,15 F1-filtered 15N F3-edited NOESY-HSQC' . . . 19643 2 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 . 2 2 1 1 VAL HA H 1 3.775 0.020 . 1 . . . B 1 VAL HA . 19643 2 2 . 2 2 1 1 VAL HB H 1 2.122 0.020 . 1 . . . B 1 VAL HB . 19643 2 3 . 2 2 1 1 VAL HG11 H 1 0.918 0.020 . 1 . . . B 1 VAL HG11 . 19643 2 4 . 2 2 1 1 VAL HG12 H 1 0.918 0.020 . 1 . . . B 1 VAL HG12 . 19643 2 5 . 2 2 1 1 VAL HG13 H 1 0.918 0.020 . 1 . . . B 1 VAL HG13 . 19643 2 6 . 2 2 1 1 VAL HG21 H 1 0.918 0.020 . 1 . . . B 1 VAL HG21 . 19643 2 7 . 2 2 1 1 VAL HG22 H 1 0.918 0.020 . 1 . . . B 1 VAL HG22 . 19643 2 8 . 2 2 1 1 VAL HG23 H 1 0.918 0.020 . 1 . . . B 1 VAL HG23 . 19643 2 9 . 2 2 2 2 VAL H H 1 8.493 0.020 . 1 . . . B 2 VAL H . 19643 2 10 . 2 2 2 2 VAL HA H 1 4.105 0.020 . 1 . . . B 2 VAL HA . 19643 2 11 . 2 2 2 2 VAL HB H 1 1.988 0.020 . 1 . . . B 2 VAL HB . 19643 2 12 . 2 2 2 2 VAL HG11 H 1 0.882 0.020 . 1 . . . B 2 VAL HG11 . 19643 2 13 . 2 2 2 2 VAL HG12 H 1 0.882 0.020 . 1 . . . B 2 VAL HG12 . 19643 2 14 . 2 2 2 2 VAL HG13 H 1 0.882 0.020 . 1 . . . B 2 VAL HG13 . 19643 2 15 . 2 2 2 2 VAL HG21 H 1 0.882 0.020 . 1 . . . B 2 VAL HG21 . 19643 2 16 . 2 2 2 2 VAL HG22 H 1 0.882 0.020 . 1 . . . B 2 VAL HG22 . 19643 2 17 . 2 2 2 2 VAL HG23 H 1 0.882 0.020 . 1 . . . B 2 VAL HG23 . 19643 2 18 . 2 2 3 3 SER H H 1 8.392 0.020 . 1 . . . B 3 SER H . 19643 2 19 . 2 2 3 3 SER HA H 1 4.399 0.020 . 1 . . . B 3 SER HA . 19643 2 20 . 2 2 3 3 SER HB2 H 1 3.744 0.020 . 1 . . . B 3 SER HB2 . 19643 2 21 . 2 2 3 3 SER HB3 H 1 3.744 0.020 . 1 . . . B 3 SER HB3 . 19643 2 22 . 2 2 4 4 GLU H H 1 8.415 0.020 . 1 . . . B 4 GLU H . 19643 2 23 . 2 2 4 4 GLU HA H 1 4.235 0.020 . 1 . . . B 4 GLU HA . 19643 2 24 . 2 2 4 4 GLU HB2 H 1 1.936 0.020 . 1 . . . B 4 GLU HB2 . 19643 2 25 . 2 2 4 4 GLU HB3 H 1 1.936 0.020 . 1 . . . B 4 GLU HB3 . 19643 2 26 . 2 2 4 4 GLU HG2 H 1 2.145 0.020 . 1 . . . B 4 GLU HG2 . 19643 2 27 . 2 2 4 4 GLU HG3 H 1 2.192 0.020 . 1 . . . B 4 GLU HG3 . 19643 2 28 . 2 2 5 5 ARG H H 1 8.300 0.020 . 1 . . . B 5 ARG H . 19643 2 29 . 2 2 5 5 ARG HA H 1 4.280 0.020 . 1 . . . B 5 ARG HA . 19643 2 30 . 2 2 5 5 ARG HB2 H 1 1.665 0.020 . 1 . . . B 5 ARG HB2 . 19643 2 31 . 2 2 5 5 ARG HB3 H 1 1.753 0.020 . 1 . . . B 5 ARG HB3 . 19643 2 32 . 2 2 5 5 ARG HG2 H 1 1.483 0.020 . 1 . . . B 5 ARG HG2 . 19643 2 33 . 2 2 5 5 ARG HG3 H 1 1.536 0.020 . 1 . . . B 5 ARG HG3 . 19643 2 34 . 2 2 5 5 ARG HD2 H 1 3.111 0.020 . 1 . . . B 5 ARG HD2 . 19643 2 35 . 2 2 5 5 ARG HD3 H 1 3.110 0.020 . 1 . . . B 5 ARG HD3 . 19643 2 36 . 2 2 6 6 ILE HG12 H 1 1.366 0.020 . 1 . . . B 6 ILE HG12 . 19643 2 37 . 2 2 6 6 ILE HG13 H 1 1.366 0.020 . 1 . . . B 6 ILE HG13 . 19643 2 38 . 2 2 6 6 ILE HG21 H 1 1.077 0.020 . 1 . . . B 6 ILE HG21 . 19643 2 39 . 2 2 6 6 ILE HG22 H 1 1.077 0.020 . 1 . . . B 6 ILE HG22 . 19643 2 40 . 2 2 6 6 ILE HG23 H 1 1.077 0.020 . 1 . . . B 6 ILE HG23 . 19643 2 41 . 2 2 6 6 ILE HD11 H 1 0.759 0.020 . 1 . . . B 6 ILE HD11 . 19643 2 42 . 2 2 6 6 ILE HD12 H 1 0.759 0.020 . 1 . . . B 6 ILE HD12 . 19643 2 43 . 2 2 6 6 ILE HD13 H 1 0.759 0.020 . 1 . . . B 6 ILE HD13 . 19643 2 44 . 2 2 7 7 SER HA H 1 4.189 0.020 . 1 . . . B 7 SER HA . 19643 2 45 . 2 2 7 7 SER HB2 H 1 3.748 0.020 . 1 . . . B 7 SER HB2 . 19643 2 46 . 2 2 7 7 SER HB3 H 1 3.748 0.020 . 1 . . . B 7 SER HB3 . 19643 2 47 . 2 2 8 8 SER H H 1 7.881 0.020 . 1 . . . B 8 SER H . 19643 2 48 . 2 2 8 8 SER HA H 1 4.189 0.020 . 1 . . . B 8 SER HA . 19643 2 49 . 2 2 8 8 SER HB2 H 1 3.748 0.020 . 1 . . . B 8 SER HB2 . 19643 2 50 . 2 2 8 8 SER HB3 H 1 3.748 0.020 . 1 . . . B 8 SER HB3 . 19643 2 51 . 2 2 9 9 VAL H H 1 8.051 0.020 . 1 . . . B 9 VAL H . 19643 2 52 . 2 2 9 9 VAL HA H 1 4.008 0.020 . 1 . . . B 9 VAL HA . 19643 2 53 . 2 2 9 9 VAL HB H 1 2.031 0.020 . 1 . . . B 9 VAL HB . 19643 2 54 . 2 2 9 9 VAL HG11 H 1 0.833 0.020 . 1 . . . B 9 VAL HG11 . 19643 2 55 . 2 2 9 9 VAL HG12 H 1 0.833 0.020 . 1 . . . B 9 VAL HG12 . 19643 2 56 . 2 2 9 9 VAL HG13 H 1 0.833 0.020 . 1 . . . B 9 VAL HG13 . 19643 2 57 . 2 2 9 9 VAL HG21 H 1 0.833 0.020 . 1 . . . B 9 VAL HG21 . 19643 2 58 . 2 2 9 9 VAL HG22 H 1 0.833 0.020 . 1 . . . B 9 VAL HG22 . 19643 2 59 . 2 2 9 9 VAL HG23 H 1 0.833 0.020 . 1 . . . B 9 VAL HG23 . 19643 2 stop_ save_