data_11456 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11456 _Entry.Title ; Solution structure of the N-terminal dsRBD from RNA helicase A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-29 _Entry.Accession_date 2011-11-30 _Entry.Last_release_date 2012-08-29 _Entry.Original_release_date 2012-08-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; double-stranded RNA binding domain, dsRBD, DSRM, RIKEN Structural Genomics/Proteomics Initiative, RSGI, Structural Genomics, RNA BINDING PROTEIN. ; _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 Takashi Nagata . . . 11456 2 Yutaka Muto . . . 11456 3 Kengo Tsuda . . . 11456 4 Makoto Inoue . . . 11456 5 Takanori Kigawa . . . 11456 6 Takaho Terada . . . 11456 7 Mikako Shirouzu . . . 11456 8 Shigeyuki Yokoyama . . . 11456 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 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative' . 11456 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'double-stranded RNA binding domain' . 11456 dsRBD . 11456 dsrm . 11456 Protein . 11456 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11456 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 11456 '15N chemical shifts' 104 11456 '1H chemical shifts' 622 11456 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 . . 2012-08-29 2011-11-29 original author . 11456 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1whq . 11456 PDB 2RS6 'BMRB Entry Tracking System' 11456 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11456 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22454253 _Citation.Full_citation . _Citation.Title 'Solution structures of the double-stranded RNA-binding domains from RNA helicase A' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 80 _Citation.Journal_issue 6 _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 1699 _Citation.Page_last 1706 _Citation.Year 2012 _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 Takashi Nagata . . . 11456 1 2 Kengo Tsuda . . . 11456 1 3 Naohiro Kobayashi . . . 11456 1 4 Mikako Shirouzu . . . 11456 1 5 Takanori Kigawa . . . 11456 1 6 Peter Guntert . . . 11456 1 7 Shigeyuki Yokoyama . . . 11456 1 8 Yutaka Muto . . . 11456 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11456 _Assembly.ID 1 _Assembly.Name 'Solution structure of the N-terminal dsRBD from RNA helicase A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'RNA helicase A' 1 $entity A . yes native no no . . . 11456 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11456 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSSGSSGIKNFLYAWCGKRK MTPAYEIRAVGNKNRQKFMC EVRVEGFNYAGMGNSTNKKD AQSNAARDFVNYLVRINEVK SEEVPAVGIVPPPSGPSSG ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10733.203 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WHQ . "Solution Structure Of The N-Terminal Dsrbd From Hypothetical Protein Bab28848" . . . . . 100.00 99 100.00 100.00 9.15e-65 . . . . 11456 1 2 no PDB 2RS6 . "Solution Structure Of The N-terminal Dsrbd From Rna Helicase A" . . . . . 100.00 99 100.00 100.00 9.15e-65 . . . . 11456 1 3 no DBJ BAB28848 . "unnamed protein product [Mus musculus]" . . . . . 86.87 265 100.00 100.00 5.22e-55 . . . . 11456 1 4 no DBJ BAE24846 . "unnamed protein product [Mus musculus]" . . . . . 86.87 735 100.00 100.00 1.13e-51 . . . . 11456 1 5 no DBJ BAE41336 . "unnamed protein product [Mus musculus]" . . . . . 55.56 132 100.00 100.00 4.23e-30 . . . . 11456 1 6 no GB AAC05301 . "RNA helicase A [Mus musculus]" . . . . . 86.87 161 100.00 100.00 1.24e-55 . . . . 11456 1 7 no GB AAC05725 . "RNA helicase A [Mus musculus]" . . . . . 86.87 1380 98.84 98.84 2.24e-49 . . . . 11456 1 8 no GB AAH33911 . "Dhx9 protein, partial [Mus musculus]" . . . . . 86.87 198 100.00 100.00 1.69e-55 . . . . 11456 1 9 no GB AAH89159 . "Dhx9 protein [Mus musculus]" . . . . . 86.87 459 100.00 100.00 4.52e-53 . . . . 11456 1 10 no GB AAI69284 . "DEAH (Asp-Glu-Ala-His) box polypeptide 9 [synthetic construct]" . . . . . 86.87 413 100.00 100.00 1.41e-53 . . . . 11456 1 11 no REF NP_001100654 . "ATP-dependent RNA helicase A [Rattus norvegicus]" . . . . . 86.87 1174 100.00 100.00 8.20e-51 . . . . 11456 1 12 no REF NP_031868 . "ATP-dependent RNA helicase A [Mus musculus]" . . . . . 86.87 1383 100.00 100.00 3.03e-50 . . . . 11456 1 13 no REF XP_005363931 . "PREDICTED: ATP-dependent RNA helicase A isoform X1 [Microtus ochrogaster]" . . . . . 86.87 1385 100.00 100.00 3.19e-50 . . . . 11456 1 14 no REF XP_005363932 . "PREDICTED: ATP-dependent RNA helicase A isoform X2 [Microtus ochrogaster]" . . . . . 86.87 1384 100.00 100.00 3.28e-50 . . . . 11456 1 15 no REF XP_006250057 . "PREDICTED: ATP-dependent RNA helicase A isoform X1 [Rattus norvegicus]" . . . . . 86.87 1392 100.00 100.00 2.70e-50 . . . . 11456 1 16 no SP O70133 . "RecName: Full=ATP-dependent RNA helicase A; Short=RHA; AltName: Full=DEAH box protein 9; Short=mHEL-5; AltName: Full=Nuclear DN" . . . . . 86.87 1380 100.00 100.00 3.02e-50 . . . . 11456 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 -3 GLY . 11456 1 2 -2 SER . 11456 1 3 -1 SER . 11456 1 4 0 GLY . 11456 1 5 1 SER . 11456 1 6 2 SER . 11456 1 7 3 GLY . 11456 1 8 4 ILE . 11456 1 9 5 LYS . 11456 1 10 6 ASN . 11456 1 11 7 PHE . 11456 1 12 8 LEU . 11456 1 13 9 TYR . 11456 1 14 10 ALA . 11456 1 15 11 TRP . 11456 1 16 12 CYS . 11456 1 17 13 GLY . 11456 1 18 14 LYS . 11456 1 19 15 ARG . 11456 1 20 16 LYS . 11456 1 21 17 MET . 11456 1 22 18 THR . 11456 1 23 19 PRO . 11456 1 24 20 ALA . 11456 1 25 21 TYR . 11456 1 26 22 GLU . 11456 1 27 23 ILE . 11456 1 28 24 ARG . 11456 1 29 25 ALA . 11456 1 30 26 VAL . 11456 1 31 27 GLY . 11456 1 32 28 ASN . 11456 1 33 29 LYS . 11456 1 34 30 ASN . 11456 1 35 31 ARG . 11456 1 36 32 GLN . 11456 1 37 33 LYS . 11456 1 38 34 PHE . 11456 1 39 35 MET . 11456 1 40 36 CYS . 11456 1 41 37 GLU . 11456 1 42 38 VAL . 11456 1 43 39 ARG . 11456 1 44 40 VAL . 11456 1 45 41 GLU . 11456 1 46 42 GLY . 11456 1 47 43 PHE . 11456 1 48 44 ASN . 11456 1 49 45 TYR . 11456 1 50 46 ALA . 11456 1 51 47 GLY . 11456 1 52 48 MET . 11456 1 53 49 GLY . 11456 1 54 50 ASN . 11456 1 55 51 SER . 11456 1 56 52 THR . 11456 1 57 53 ASN . 11456 1 58 54 LYS . 11456 1 59 55 LYS . 11456 1 60 56 ASP . 11456 1 61 57 ALA . 11456 1 62 58 GLN . 11456 1 63 59 SER . 11456 1 64 60 ASN . 11456 1 65 61 ALA . 11456 1 66 62 ALA . 11456 1 67 63 ARG . 11456 1 68 64 ASP . 11456 1 69 65 PHE . 11456 1 70 66 VAL . 11456 1 71 67 ASN . 11456 1 72 68 TYR . 11456 1 73 69 LEU . 11456 1 74 70 VAL . 11456 1 75 71 ARG . 11456 1 76 72 ILE . 11456 1 77 73 ASN . 11456 1 78 74 GLU . 11456 1 79 75 VAL . 11456 1 80 76 LYS . 11456 1 81 77 SER . 11456 1 82 78 GLU . 11456 1 83 79 GLU . 11456 1 84 80 VAL . 11456 1 85 81 PRO . 11456 1 86 82 ALA . 11456 1 87 83 VAL . 11456 1 88 84 GLY . 11456 1 89 85 ILE . 11456 1 90 86 VAL . 11456 1 91 87 PRO . 11456 1 92 88 PRO . 11456 1 93 89 PRO . 11456 1 94 90 SER . 11456 1 95 91 GLY . 11456 1 96 92 PRO . 11456 1 97 93 SER . 11456 1 98 94 SER . 11456 1 99 95 GLY . 11456 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 11456 1 . SER 2 2 11456 1 . SER 3 3 11456 1 . GLY 4 4 11456 1 . SER 5 5 11456 1 . SER 6 6 11456 1 . GLY 7 7 11456 1 . ILE 8 8 11456 1 . LYS 9 9 11456 1 . ASN 10 10 11456 1 . PHE 11 11 11456 1 . LEU 12 12 11456 1 . TYR 13 13 11456 1 . ALA 14 14 11456 1 . TRP 15 15 11456 1 . CYS 16 16 11456 1 . GLY 17 17 11456 1 . LYS 18 18 11456 1 . ARG 19 19 11456 1 . LYS 20 20 11456 1 . MET 21 21 11456 1 . THR 22 22 11456 1 . PRO 23 23 11456 1 . ALA 24 24 11456 1 . TYR 25 25 11456 1 . GLU 26 26 11456 1 . ILE 27 27 11456 1 . ARG 28 28 11456 1 . ALA 29 29 11456 1 . VAL 30 30 11456 1 . GLY 31 31 11456 1 . ASN 32 32 11456 1 . LYS 33 33 11456 1 . ASN 34 34 11456 1 . ARG 35 35 11456 1 . GLN 36 36 11456 1 . LYS 37 37 11456 1 . PHE 38 38 11456 1 . MET 39 39 11456 1 . CYS 40 40 11456 1 . GLU 41 41 11456 1 . VAL 42 42 11456 1 . ARG 43 43 11456 1 . VAL 44 44 11456 1 . GLU 45 45 11456 1 . GLY 46 46 11456 1 . PHE 47 47 11456 1 . ASN 48 48 11456 1 . TYR 49 49 11456 1 . ALA 50 50 11456 1 . GLY 51 51 11456 1 . MET 52 52 11456 1 . GLY 53 53 11456 1 . ASN 54 54 11456 1 . SER 55 55 11456 1 . THR 56 56 11456 1 . ASN 57 57 11456 1 . LYS 58 58 11456 1 . LYS 59 59 11456 1 . ASP 60 60 11456 1 . ALA 61 61 11456 1 . GLN 62 62 11456 1 . SER 63 63 11456 1 . ASN 64 64 11456 1 . ALA 65 65 11456 1 . ALA 66 66 11456 1 . ARG 67 67 11456 1 . ASP 68 68 11456 1 . PHE 69 69 11456 1 . VAL 70 70 11456 1 . ASN 71 71 11456 1 . TYR 72 72 11456 1 . LEU 73 73 11456 1 . VAL 74 74 11456 1 . ARG 75 75 11456 1 . ILE 76 76 11456 1 . ASN 77 77 11456 1 . GLU 78 78 11456 1 . VAL 79 79 11456 1 . LYS 80 80 11456 1 . SER 81 81 11456 1 . GLU 82 82 11456 1 . GLU 83 83 11456 1 . VAL 84 84 11456 1 . PRO 85 85 11456 1 . ALA 86 86 11456 1 . VAL 87 87 11456 1 . GLY 88 88 11456 1 . ILE 89 89 11456 1 . VAL 90 90 11456 1 . PRO 91 91 11456 1 . PRO 92 92 11456 1 . PRO 93 93 11456 1 . SER 94 94 11456 1 . GLY 95 95 11456 1 . PRO 96 96 11456 1 . SER 97 97 11456 1 . SER 98 98 11456 1 . GLY 99 99 11456 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11456 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11456 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 11456 _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 . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Eschrichia Coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 11456 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11456 _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 '[U-100% 13C; U-100% 15N]' . . 1 $entity . protein 1.3 . . mM . . . . 11456 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11456 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11456 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11456 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11456 1 6 H2O . . . . . . solvent 90 . . % . . . . 11456 1 7 D2O . . . . . . solvent 10 . . % . . . . 11456 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 11456 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11456 1 pH 6.0 . pH 11456 1 pressure 1 . atm 11456 1 temperature 298.15 . K 11456 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11456 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11456 1 'Guntert, Mumenthaler and Wuthrich' . . 11456 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11456 1 'structure solution' 11456 1 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 11456 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11456 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11456 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11456 _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 . 800 . . . 11456 1 2 spectrometer_2 Bruker Avance . 700 . . . 11456 1 3 spectrometer_3 Bruker Avance . 600 . . . 11456 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 11456 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11456 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11456 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 11456 _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 water protons . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 11456 1 H 1 water protons . . . . ppm 4.784 internal indirect 1.0 . . . . . . . . . 11456 1 N 15 water protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 11456 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 11456 _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 '3D 1H-13C NOESY' . . . 11456 1 2 '3D 1H-15N NOESY' . . . 11456 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 2 2 SER H H 1 8.519 0.03 . 1 . . . A -2 SER H . 11456 1 2 . 1 1 2 2 SER N N 15 116.334 0.3 . 1 . . . A -2 SER N . 11456 1 3 . 1 1 3 3 SER H H 1 8.378 0.03 . 1 . . . A -1 SER H . 11456 1 4 . 1 1 3 3 SER HA H 1 4.465 0.03 . 1 . . . A -1 SER HA . 11456 1 5 . 1 1 3 3 SER HB2 H 1 3.875 0.03 . 1 . . . A -1 SER HB2 . 11456 1 6 . 1 1 3 3 SER HB3 H 1 3.875 0.03 . 1 . . . A -1 SER HB3 . 11456 1 7 . 1 1 3 3 SER C C 13 175.126 0.3 . 1 . . . A -1 SER C . 11456 1 8 . 1 1 3 3 SER CA C 13 58.57 0.3 . 1 . . . A -1 SER CA . 11456 1 9 . 1 1 3 3 SER CB C 13 63.818 0.3 . 1 . . . A -1 SER CB . 11456 1 10 . 1 1 3 3 SER N N 15 115.959 0.3 . 1 . . . A -1 SER N . 11456 1 11 . 1 1 4 4 GLY H H 1 8.522 0.03 . 1 . . . A 0 GLY H . 11456 1 12 . 1 1 4 4 GLY HA2 H 1 4.012 0.03 . 1 . . . A 0 GLY HA2 . 11456 1 13 . 1 1 4 4 GLY HA3 H 1 4.012 0.03 . 1 . . . A 0 GLY HA3 . 11456 1 14 . 1 1 4 4 GLY C C 13 174.387 0.3 . 1 . . . A 0 GLY C . 11456 1 15 . 1 1 4 4 GLY CA C 13 45.558 0.3 . 1 . . . A 0 GLY CA . 11456 1 16 . 1 1 4 4 GLY N N 15 110.928 0.3 . 1 . . . A 0 GLY N . 11456 1 17 . 1 1 5 5 SER H H 1 8.288 0.03 . 1 . . . A 1 SER H . 11456 1 18 . 1 1 5 5 SER HA H 1 4.481 0.03 . 1 . . . A 1 SER HA . 11456 1 19 . 1 1 5 5 SER HB2 H 1 3.873 0.03 . 1 . . . A 1 SER HB2 . 11456 1 20 . 1 1 5 5 SER HB3 H 1 3.873 0.03 . 1 . . . A 1 SER HB3 . 11456 1 21 . 1 1 5 5 SER C C 13 174.855 0.3 . 1 . . . A 1 SER C . 11456 1 22 . 1 1 5 5 SER CA C 13 58.456 0.3 . 1 . . . A 1 SER CA . 11456 1 23 . 1 1 5 5 SER CB C 13 63.967 0.3 . 1 . . . A 1 SER CB . 11456 1 24 . 1 1 5 5 SER N N 15 115.769 0.3 . 1 . . . A 1 SER N . 11456 1 25 . 1 1 6 6 SER H H 1 8.437 0.03 . 1 . . . A 2 SER H . 11456 1 26 . 1 1 6 6 SER HA H 1 4.567 0.03 . 1 . . . A 2 SER HA . 11456 1 27 . 1 1 6 6 SER HB2 H 1 3.894 0.03 . 1 . . . A 2 SER HB2 . 11456 1 28 . 1 1 6 6 SER HB3 H 1 3.894 0.03 . 1 . . . A 2 SER HB3 . 11456 1 29 . 1 1 6 6 SER C C 13 175.151 0.3 . 1 . . . A 2 SER C . 11456 1 30 . 1 1 6 6 SER CA C 13 58.356 0.3 . 1 . . . A 2 SER CA . 11456 1 31 . 1 1 6 6 SER CB C 13 64.043 0.3 . 1 . . . A 2 SER CB . 11456 1 32 . 1 1 6 6 SER N N 15 117.917 0.3 . 1 . . . A 2 SER N . 11456 1 33 . 1 1 7 7 GLY H H 1 8.573 0.03 . 1 . . . A 3 GLY H . 11456 1 34 . 1 1 7 7 GLY HA2 H 1 4.193 0.03 . 2 . . . A 3 GLY HA2 . 11456 1 35 . 1 1 7 7 GLY HA3 H 1 4.077 0.03 . 2 . . . A 3 GLY HA3 . 11456 1 36 . 1 1 7 7 GLY C C 13 176.424 0.3 . 1 . . . A 3 GLY C . 11456 1 37 . 1 1 7 7 GLY CA C 13 46.268 0.3 . 1 . . . A 3 GLY CA . 11456 1 38 . 1 1 7 7 GLY N N 15 110.928 0.3 . 1 . . . A 3 GLY N . 11456 1 39 . 1 1 8 8 ILE H H 1 8.603 0.03 . 1 . . . A 4 ILE H . 11456 1 40 . 1 1 8 8 ILE HA H 1 4.277 0.03 . 1 . . . A 4 ILE HA . 11456 1 41 . 1 1 8 8 ILE HB H 1 1.951 0.03 . 1 . . . A 4 ILE HB . 11456 1 42 . 1 1 8 8 ILE HG12 H 1 1.166 0.03 . 2 . . . A 4 ILE HG12 . 11456 1 43 . 1 1 8 8 ILE HG13 H 1 1.383 0.03 . 2 . . . A 4 ILE HG13 . 11456 1 44 . 1 1 8 8 ILE HG21 H 1 1.16 0.03 . 1 . . . A 4 ILE HG21 . 11456 1 45 . 1 1 8 8 ILE HG22 H 1 1.16 0.03 . 1 . . . A 4 ILE HG22 . 11456 1 46 . 1 1 8 8 ILE HG23 H 1 1.16 0.03 . 1 . . . A 4 ILE HG23 . 11456 1 47 . 1 1 8 8 ILE HD11 H 1 0.915 0.03 . 1 . . . A 4 ILE HD11 . 11456 1 48 . 1 1 8 8 ILE HD12 H 1 0.915 0.03 . 1 . . . A 4 ILE HD12 . 11456 1 49 . 1 1 8 8 ILE HD13 H 1 0.915 0.03 . 1 . . . A 4 ILE HD13 . 11456 1 50 . 1 1 8 8 ILE C C 13 175.95 0.3 . 1 . . . A 4 ILE C . 11456 1 51 . 1 1 8 8 ILE CA C 13 61.215 0.3 . 1 . . . A 4 ILE CA . 11456 1 52 . 1 1 8 8 ILE CB C 13 38.761 0.3 . 1 . . . A 4 ILE CB . 11456 1 53 . 1 1 8 8 ILE CG1 C 13 29.033 0.3 . 1 . . . A 4 ILE CG1 . 11456 1 54 . 1 1 8 8 ILE CG2 C 13 20.26 0.3 . 1 . . . A 4 ILE CG2 . 11456 1 55 . 1 1 8 8 ILE CD1 C 13 14.717 0.3 . 1 . . . A 4 ILE CD1 . 11456 1 56 . 1 1 8 8 ILE N N 15 123.206 0.3 . 1 . . . A 4 ILE N . 11456 1 57 . 1 1 9 9 LYS H H 1 8.151 0.03 . 1 . . . A 5 LYS H . 11456 1 58 . 1 1 9 9 LYS HA H 1 3.935 0.03 . 1 . . . A 5 LYS HA . 11456 1 59 . 1 1 9 9 LYS HB2 H 1 1.723 0.03 . 2 . . . A 5 LYS HB2 . 11456 1 60 . 1 1 9 9 LYS HB3 H 1 1.868 0.03 . 2 . . . A 5 LYS HB3 . 11456 1 61 . 1 1 9 9 LYS HG2 H 1 1.584 0.03 . 2 . . . A 5 LYS HG2 . 11456 1 62 . 1 1 9 9 LYS HG3 H 1 1.402 0.03 . 2 . . . A 5 LYS HG3 . 11456 1 63 . 1 1 9 9 LYS HD2 H 1 1.441 0.03 . 1 . . . A 5 LYS HD2 . 11456 1 64 . 1 1 9 9 LYS HD3 H 1 1.441 0.03 . 1 . . . A 5 LYS HD3 . 11456 1 65 . 1 1 9 9 LYS HE2 H 1 2.541 0.03 . 2 . . . A 5 LYS HE2 . 11456 1 66 . 1 1 9 9 LYS HE3 H 1 2.708 0.03 . 2 . . . A 5 LYS HE3 . 11456 1 67 . 1 1 9 9 LYS C C 13 179.959 0.3 . 1 . . . A 5 LYS C . 11456 1 68 . 1 1 9 9 LYS CA C 13 60.615 0.3 . 1 . . . A 5 LYS CA . 11456 1 69 . 1 1 9 9 LYS CB C 13 31.911 0.3 . 1 . . . A 5 LYS CB . 11456 1 70 . 1 1 9 9 LYS CG C 13 25.623 0.3 . 1 . . . A 5 LYS CG . 11456 1 71 . 1 1 9 9 LYS CD C 13 29.575 0.3 . 1 . . . A 5 LYS CD . 11456 1 72 . 1 1 9 9 LYS CE C 13 41.432 0.3 . 1 . . . A 5 LYS CE . 11456 1 73 . 1 1 9 9 LYS N N 15 124.032 0.3 . 1 . . . A 5 LYS N . 11456 1 74 . 1 1 10 10 ASN H H 1 8.417 0.03 . 1 . . . A 6 ASN H . 11456 1 75 . 1 1 10 10 ASN HA H 1 4.608 0.03 . 1 . . . A 6 ASN HA . 11456 1 76 . 1 1 10 10 ASN HB2 H 1 2.914 0.03 . 1 . . . A 6 ASN HB2 . 11456 1 77 . 1 1 10 10 ASN HB3 H 1 2.914 0.03 . 1 . . . A 6 ASN HB3 . 11456 1 78 . 1 1 10 10 ASN HD21 H 1 7.763 0.03 . 2 . . . A 6 ASN HD21 . 11456 1 79 . 1 1 10 10 ASN HD22 H 1 7.019 0.03 . 2 . . . A 6 ASN HD22 . 11456 1 80 . 1 1 10 10 ASN C C 13 177.629 0.3 . 1 . . . A 6 ASN C . 11456 1 81 . 1 1 10 10 ASN CA C 13 56.14 0.3 . 1 . . . A 6 ASN CA . 11456 1 82 . 1 1 10 10 ASN CB C 13 37.66 0.3 . 1 . . . A 6 ASN CB . 11456 1 83 . 1 1 10 10 ASN N N 15 120.234 0.3 . 1 . . . A 6 ASN N . 11456 1 84 . 1 1 10 10 ASN ND2 N 15 112.678 0.3 . 1 . . . A 6 ASN ND2 . 11456 1 85 . 1 1 11 11 PHE H H 1 8.474 0.03 . 1 . . . A 7 PHE H . 11456 1 86 . 1 1 11 11 PHE HA H 1 4.372 0.03 . 1 . . . A 7 PHE HA . 11456 1 87 . 1 1 11 11 PHE HB2 H 1 3.283 0.03 . 2 . . . A 7 PHE HB2 . 11456 1 88 . 1 1 11 11 PHE HB3 H 1 3.38 0.03 . 2 . . . A 7 PHE HB3 . 11456 1 89 . 1 1 11 11 PHE HD1 H 1 7.217 0.03 . 1 . . . A 7 PHE HD1 . 11456 1 90 . 1 1 11 11 PHE HD2 H 1 7.217 0.03 . 1 . . . A 7 PHE HD2 . 11456 1 91 . 1 1 11 11 PHE HE1 H 1 7.177 0.03 . 1 . . . A 7 PHE HE1 . 11456 1 92 . 1 1 11 11 PHE HE2 H 1 7.177 0.03 . 1 . . . A 7 PHE HE2 . 11456 1 93 . 1 1 11 11 PHE HZ H 1 7.132 0.03 . 1 . . . A 7 PHE HZ . 11456 1 94 . 1 1 11 11 PHE C C 13 177.052 0.3 . 1 . . . A 7 PHE C . 11456 1 95 . 1 1 11 11 PHE CA C 13 61.754 0.3 . 1 . . . A 7 PHE CA . 11456 1 96 . 1 1 11 11 PHE CB C 13 39.178 0.3 . 1 . . . A 7 PHE CB . 11456 1 97 . 1 1 11 11 PHE CD1 C 13 131.556 0.3 . 1 . . . A 7 PHE CD1 . 11456 1 98 . 1 1 11 11 PHE CD2 C 13 131.556 0.3 . 1 . . . A 7 PHE CD2 . 11456 1 99 . 1 1 11 11 PHE CE1 C 13 131.619 0.3 . 1 . . . A 7 PHE CE1 . 11456 1 100 . 1 1 11 11 PHE CE2 C 13 131.619 0.3 . 1 . . . A 7 PHE CE2 . 11456 1 101 . 1 1 11 11 PHE CZ C 13 130.063 0.3 . 1 . . . A 7 PHE CZ . 11456 1 102 . 1 1 11 11 PHE N N 15 122.051 0.3 . 1 . . . A 7 PHE N . 11456 1 103 . 1 1 12 12 LEU H H 1 8.287 0.03 . 1 . . . A 8 LEU H . 11456 1 104 . 1 1 12 12 LEU HA H 1 4.077 0.03 . 1 . . . A 8 LEU HA . 11456 1 105 . 1 1 12 12 LEU HB2 H 1 1.455 0.03 . 2 . . . A 8 LEU HB2 . 11456 1 106 . 1 1 12 12 LEU HB3 H 1 2.119 0.03 . 2 . . . A 8 LEU HB3 . 11456 1 107 . 1 1 12 12 LEU HG H 1 1.569 0.03 . 1 . . . A 8 LEU HG . 11456 1 108 . 1 1 12 12 LEU HD11 H 1 1.011 0.03 . 1 . . . A 8 LEU HD11 . 11456 1 109 . 1 1 12 12 LEU HD12 H 1 1.011 0.03 . 1 . . . A 8 LEU HD12 . 11456 1 110 . 1 1 12 12 LEU HD13 H 1 1.011 0.03 . 1 . . . A 8 LEU HD13 . 11456 1 111 . 1 1 12 12 LEU HD21 H 1 0.904 0.03 . 1 . . . A 8 LEU HD21 . 11456 1 112 . 1 1 12 12 LEU HD22 H 1 0.904 0.03 . 1 . . . A 8 LEU HD22 . 11456 1 113 . 1 1 12 12 LEU HD23 H 1 0.904 0.03 . 1 . . . A 8 LEU HD23 . 11456 1 114 . 1 1 12 12 LEU C C 13 178.4 0.3 . 1 . . . A 8 LEU C . 11456 1 115 . 1 1 12 12 LEU CA C 13 57.843 0.3 . 1 . . . A 8 LEU CA . 11456 1 116 . 1 1 12 12 LEU CB C 13 41.265 0.3 . 1 . . . A 8 LEU CB . 11456 1 117 . 1 1 12 12 LEU CG C 13 27.599 0.3 . 1 . . . A 8 LEU CG . 11456 1 118 . 1 1 12 12 LEU CD1 C 13 23.826 0.3 . 2 . . . A 8 LEU CD1 . 11456 1 119 . 1 1 12 12 LEU CD2 C 13 25.623 0.3 . 2 . . . A 8 LEU CD2 . 11456 1 120 . 1 1 12 12 LEU N N 15 120.028 0.3 . 1 . . . A 8 LEU N . 11456 1 121 . 1 1 13 13 TYR H H 1 8.269 0.03 . 1 . . . A 9 TYR H . 11456 1 122 . 1 1 13 13 TYR HA H 1 3.921 0.03 . 1 . . . A 9 TYR HA . 11456 1 123 . 1 1 13 13 TYR HB2 H 1 3.245 0.03 . 2 . . . A 9 TYR HB2 . 11456 1 124 . 1 1 13 13 TYR HB3 H 1 3.33 0.03 . 2 . . . A 9 TYR HB3 . 11456 1 125 . 1 1 13 13 TYR HD1 H 1 7.2 0.03 . 1 . . . A 9 TYR HD1 . 11456 1 126 . 1 1 13 13 TYR HD2 H 1 7.2 0.03 . 1 . . . A 9 TYR HD2 . 11456 1 127 . 1 1 13 13 TYR HE1 H 1 6.89 0.03 . 1 . . . A 9 TYR HE1 . 11456 1 128 . 1 1 13 13 TYR HE2 H 1 6.89 0.03 . 1 . . . A 9 TYR HE2 . 11456 1 129 . 1 1 13 13 TYR C C 13 178.608 0.3 . 1 . . . A 9 TYR C . 11456 1 130 . 1 1 13 13 TYR CA C 13 63.011 0.3 . 1 . . . A 9 TYR CA . 11456 1 131 . 1 1 13 13 TYR CB C 13 38.401 0.3 . 1 . . . A 9 TYR CB . 11456 1 132 . 1 1 13 13 TYR CD1 C 13 133.25 0.3 . 1 . . . A 9 TYR CD1 . 11456 1 133 . 1 1 13 13 TYR CD2 C 13 133.25 0.3 . 1 . . . A 9 TYR CD2 . 11456 1 134 . 1 1 13 13 TYR CE1 C 13 118.473 0.3 . 1 . . . A 9 TYR CE1 . 11456 1 135 . 1 1 13 13 TYR CE2 C 13 118.473 0.3 . 1 . . . A 9 TYR CE2 . 11456 1 136 . 1 1 13 13 TYR N N 15 120.083 0.3 . 1 . . . A 9 TYR N . 11456 1 137 . 1 1 14 14 ALA H H 1 8.411 0.03 . 1 . . . A 10 ALA H . 11456 1 138 . 1 1 14 14 ALA HA H 1 4.13 0.03 . 1 . . . A 10 ALA HA . 11456 1 139 . 1 1 14 14 ALA HB1 H 1 1.527 0.03 . 1 . . . A 10 ALA HB1 . 11456 1 140 . 1 1 14 14 ALA HB2 H 1 1.527 0.03 . 1 . . . A 10 ALA HB2 . 11456 1 141 . 1 1 14 14 ALA HB3 H 1 1.527 0.03 . 1 . . . A 10 ALA HB3 . 11456 1 142 . 1 1 14 14 ALA C C 13 180.045 0.3 . 1 . . . A 10 ALA C . 11456 1 143 . 1 1 14 14 ALA CA C 13 54.928 0.3 . 1 . . . A 10 ALA CA . 11456 1 144 . 1 1 14 14 ALA CB C 13 18.086 0.3 . 1 . . . A 10 ALA CB . 11456 1 145 . 1 1 14 14 ALA N N 15 123.16 0.3 . 1 . . . A 10 ALA N . 11456 1 146 . 1 1 15 15 TRP H H 1 8.695 0.03 . 1 . . . A 11 TRP H . 11456 1 147 . 1 1 15 15 TRP HA H 1 3.716 0.03 . 1 . . . A 11 TRP HA . 11456 1 148 . 1 1 15 15 TRP HB2 H 1 2.569 0.03 . 2 . . . A 11 TRP HB2 . 11456 1 149 . 1 1 15 15 TRP HB3 H 1 3.11 0.03 . 2 . . . A 11 TRP HB3 . 11456 1 150 . 1 1 15 15 TRP HD1 H 1 7.226 0.03 . 1 . . . A 11 TRP HD1 . 11456 1 151 . 1 1 15 15 TRP HE1 H 1 9.998 0.03 . 1 . . . A 11 TRP HE1 . 11456 1 152 . 1 1 15 15 TRP HE3 H 1 7.669 0.03 . 1 . . . A 11 TRP HE3 . 11456 1 153 . 1 1 15 15 TRP HZ2 H 1 7.439 0.03 . 1 . . . A 11 TRP HZ2 . 11456 1 154 . 1 1 15 15 TRP HZ3 H 1 6.841 0.03 . 1 . . . A 11 TRP HZ3 . 11456 1 155 . 1 1 15 15 TRP HH2 H 1 7.029 0.03 . 1 . . . A 11 TRP HH2 . 11456 1 156 . 1 1 15 15 TRP C C 13 179.816 0.3 . 1 . . . A 11 TRP C . 11456 1 157 . 1 1 15 15 TRP CA C 13 63.011 0.3 . 1 . . . A 11 TRP CA . 11456 1 158 . 1 1 15 15 TRP CB C 13 29.109 0.3 . 1 . . . A 11 TRP CB . 11456 1 159 . 1 1 15 15 TRP CD1 C 13 126.768 0.3 . 1 . . . A 11 TRP CD1 . 11456 1 160 . 1 1 15 15 TRP CE3 C 13 121.03 0.3 . 1 . . . A 11 TRP CE3 . 11456 1 161 . 1 1 15 15 TRP CZ2 C 13 114.476 0.3 . 1 . . . A 11 TRP CZ2 . 11456 1 162 . 1 1 15 15 TRP CZ3 C 13 120.988 0.3 . 1 . . . A 11 TRP CZ3 . 11456 1 163 . 1 1 15 15 TRP CH2 C 13 124.449 0.3 . 1 . . . A 11 TRP CH2 . 11456 1 164 . 1 1 15 15 TRP N N 15 122.449 0.3 . 1 . . . A 11 TRP N . 11456 1 165 . 1 1 15 15 TRP NE1 N 15 129.868 0.3 . 1 . . . A 11 TRP NE1 . 11456 1 166 . 1 1 16 16 CYS H H 1 8.585 0.03 . 1 . . . A 12 CYS H . 11456 1 167 . 1 1 16 16 CYS HA H 1 3.726 0.03 . 1 . . . A 12 CYS HA . 11456 1 168 . 1 1 16 16 CYS HB2 H 1 2.633 0.03 . 2 . . . A 12 CYS HB2 . 11456 1 169 . 1 1 16 16 CYS HB3 H 1 2.918 0.03 . 2 . . . A 12 CYS HB3 . 11456 1 170 . 1 1 16 16 CYS C C 13 177.904 0.3 . 1 . . . A 12 CYS C . 11456 1 171 . 1 1 16 16 CYS CA C 13 64.293 0.3 . 1 . . . A 12 CYS CA . 11456 1 172 . 1 1 16 16 CYS CB C 13 26.528 0.3 . 1 . . . A 12 CYS CB . 11456 1 173 . 1 1 16 16 CYS N N 15 116.077 0.3 . 1 . . . A 12 CYS N . 11456 1 174 . 1 1 17 17 GLY H H 1 8.409 0.03 . 1 . . . A 13 GLY H . 11456 1 175 . 1 1 17 17 GLY HA2 H 1 3.871 0.03 . 1 . . . A 13 GLY HA2 . 11456 1 176 . 1 1 17 17 GLY HA3 H 1 3.871 0.03 . 1 . . . A 13 GLY HA3 . 11456 1 177 . 1 1 17 17 GLY C C 13 177.605 0.3 . 1 . . . A 13 GLY C . 11456 1 178 . 1 1 17 17 GLY CA C 13 47.337 0.3 . 1 . . . A 13 GLY CA . 11456 1 179 . 1 1 17 17 GLY N N 15 109.522 0.3 . 1 . . . A 13 GLY N . 11456 1 180 . 1 1 18 18 LYS H H 1 7.431 0.03 . 1 . . . A 14 LYS H . 11456 1 181 . 1 1 18 18 LYS HA H 1 4.057 0.03 . 1 . . . A 14 LYS HA . 11456 1 182 . 1 1 18 18 LYS HB2 H 1 1.694 0.03 . 2 . . . A 14 LYS HB2 . 11456 1 183 . 1 1 18 18 LYS HB3 H 1 1.743 0.03 . 2 . . . A 14 LYS HB3 . 11456 1 184 . 1 1 18 18 LYS HG2 H 1 1.417 0.03 . 2 . . . A 14 LYS HG2 . 11456 1 185 . 1 1 18 18 LYS HG3 H 1 1.526 0.03 . 2 . . . A 14 LYS HG3 . 11456 1 186 . 1 1 18 18 LYS HD2 H 1 1.665 0.03 . 1 . . . A 14 LYS HD2 . 11456 1 187 . 1 1 18 18 LYS HD3 H 1 1.665 0.03 . 1 . . . A 14 LYS HD3 . 11456 1 188 . 1 1 18 18 LYS HE2 H 1 2.985 0.03 . 1 . . . A 14 LYS HE2 . 11456 1 189 . 1 1 18 18 LYS HE3 H 1 2.985 0.03 . 1 . . . A 14 LYS HE3 . 11456 1 190 . 1 1 18 18 LYS C C 13 177.264 0.3 . 1 . . . A 14 LYS C . 11456 1 191 . 1 1 18 18 LYS CA C 13 58.651 0.3 . 1 . . . A 14 LYS CA . 11456 1 192 . 1 1 18 18 LYS CB C 13 32.233 0.3 . 1 . . . A 14 LYS CB . 11456 1 193 . 1 1 18 18 LYS CG C 13 25.263 0.3 . 1 . . . A 14 LYS CG . 11456 1 194 . 1 1 18 18 LYS CD C 13 28.94 0.3 . 1 . . . A 14 LYS CD . 11456 1 195 . 1 1 18 18 LYS CE C 13 42.026 0.3 . 1 . . . A 14 LYS CE . 11456 1 196 . 1 1 18 18 LYS N N 15 121.93 0.3 . 1 . . . A 14 LYS N . 11456 1 197 . 1 1 19 19 ARG H H 1 7.124 0.03 . 1 . . . A 15 ARG H . 11456 1 198 . 1 1 19 19 ARG HA H 1 4.279 0.03 . 1 . . . A 15 ARG HA . 11456 1 199 . 1 1 19 19 ARG HB2 H 1 1.315 0.03 . 2 . . . A 15 ARG HB2 . 11456 1 200 . 1 1 19 19 ARG HB3 H 1 1.993 0.03 . 2 . . . A 15 ARG HB3 . 11456 1 201 . 1 1 19 19 ARG HG2 H 1 1.123 0.03 . 2 . . . A 15 ARG HG2 . 11456 1 202 . 1 1 19 19 ARG HG3 H 1 1.229 0.03 . 2 . . . A 15 ARG HG3 . 11456 1 203 . 1 1 19 19 ARG HD2 H 1 2.533 0.03 . 2 . . . A 15 ARG HD2 . 11456 1 204 . 1 1 19 19 ARG HD3 H 1 2.02 0.03 . 2 . . . A 15 ARG HD3 . 11456 1 205 . 1 1 19 19 ARG HE H 1 6.821 0.03 . 1 . . . A 15 ARG HE . 11456 1 206 . 1 1 19 19 ARG C C 13 174.248 0.3 . 1 . . . A 15 ARG C . 11456 1 207 . 1 1 19 19 ARG CA C 13 54.906 0.3 . 1 . . . A 15 ARG CA . 11456 1 208 . 1 1 19 19 ARG CB C 13 30.121 0.3 . 1 . . . A 15 ARG CB . 11456 1 209 . 1 1 19 19 ARG CG C 13 26.871 0.3 . 1 . . . A 15 ARG CG . 11456 1 210 . 1 1 19 19 ARG CD C 13 42.713 0.3 . 1 . . . A 15 ARG CD . 11456 1 211 . 1 1 19 19 ARG N N 15 117.085 0.3 . 1 . . . A 15 ARG N . 11456 1 212 . 1 1 19 19 ARG NE N 15 86.147 0.3 . 1 . . . A 15 ARG NE . 11456 1 213 . 1 1 20 20 LYS H H 1 7.713 0.03 . 1 . . . A 16 LYS H . 11456 1 214 . 1 1 20 20 LYS HA H 1 3.867 0.03 . 1 . . . A 16 LYS HA . 11456 1 215 . 1 1 20 20 LYS HB2 H 1 1.932 0.03 . 2 . . . A 16 LYS HB2 . 11456 1 216 . 1 1 20 20 LYS HB3 H 1 2.017 0.03 . 2 . . . A 16 LYS HB3 . 11456 1 217 . 1 1 20 20 LYS HG2 H 1 1.311 0.03 . 2 . . . A 16 LYS HG2 . 11456 1 218 . 1 1 20 20 LYS HG3 H 1 1.289 0.03 . 2 . . . A 16 LYS HG3 . 11456 1 219 . 1 1 20 20 LYS HD2 H 1 1.615 0.03 . 1 . . . A 16 LYS HD2 . 11456 1 220 . 1 1 20 20 LYS HD3 H 1 1.615 0.03 . 1 . . . A 16 LYS HD3 . 11456 1 221 . 1 1 20 20 LYS HE2 H 1 2.96 0.03 . 1 . . . A 16 LYS HE2 . 11456 1 222 . 1 1 20 20 LYS HE3 H 1 2.96 0.03 . 1 . . . A 16 LYS HE3 . 11456 1 223 . 1 1 20 20 LYS C C 13 175.038 0.3 . 1 . . . A 16 LYS C . 11456 1 224 . 1 1 20 20 LYS CA C 13 57.242 0.3 . 1 . . . A 16 LYS CA . 11456 1 225 . 1 1 20 20 LYS CB C 13 28.709 0.3 . 1 . . . A 16 LYS CB . 11456 1 226 . 1 1 20 20 LYS CG C 13 25.263 0.3 . 1 . . . A 16 LYS CG . 11456 1 227 . 1 1 20 20 LYS CD C 13 28.721 0.3 . 1 . . . A 16 LYS CD . 11456 1 228 . 1 1 20 20 LYS CE C 13 42.173 0.3 . 1 . . . A 16 LYS CE . 11456 1 229 . 1 1 20 20 LYS N N 15 113.923 0.3 . 1 . . . A 16 LYS N . 11456 1 230 . 1 1 21 21 MET H H 1 7.822 0.03 . 1 . . . A 17 MET H . 11456 1 231 . 1 1 21 21 MET HA H 1 4.828 0.03 . 1 . . . A 17 MET HA . 11456 1 232 . 1 1 21 21 MET HB2 H 1 1.663 0.03 . 2 . . . A 17 MET HB2 . 11456 1 233 . 1 1 21 21 MET HB3 H 1 2.03 0.03 . 2 . . . A 17 MET HB3 . 11456 1 234 . 1 1 21 21 MET HG2 H 1 2.458 0.03 . 2 . . . A 17 MET HG2 . 11456 1 235 . 1 1 21 21 MET HG3 H 1 2.493 0.03 . 2 . . . A 17 MET HG3 . 11456 1 236 . 1 1 21 21 MET HE1 H 1 2.139 0.03 . 1 . . . A 17 MET HE1 . 11456 1 237 . 1 1 21 21 MET HE2 H 1 2.139 0.03 . 1 . . . A 17 MET HE2 . 11456 1 238 . 1 1 21 21 MET HE3 H 1 2.139 0.03 . 1 . . . A 17 MET HE3 . 11456 1 239 . 1 1 21 21 MET C C 13 175.375 0.3 . 1 . . . A 17 MET C . 11456 1 240 . 1 1 21 21 MET CA C 13 54.306 0.3 . 1 . . . A 17 MET CA . 11456 1 241 . 1 1 21 21 MET CB C 13 36.373 0.3 . 1 . . . A 17 MET CB . 11456 1 242 . 1 1 21 21 MET CG C 13 31.718 0.3 . 1 . . . A 17 MET CG . 11456 1 243 . 1 1 21 21 MET CE C 13 18.324 0.3 . 1 . . . A 17 MET CE . 11456 1 244 . 1 1 21 21 MET N N 15 116.397 0.3 . 1 . . . A 17 MET N . 11456 1 245 . 1 1 22 22 THR H H 1 8.486 0.03 . 1 . . . A 18 THR H . 11456 1 246 . 1 1 22 22 THR HA H 1 4.758 0.03 . 1 . . . A 18 THR HA . 11456 1 247 . 1 1 22 22 THR HB H 1 3.979 0.03 . 1 . . . A 18 THR HB . 11456 1 248 . 1 1 22 22 THR HG21 H 1 1.275 0.03 . 1 . . . A 18 THR HG21 . 11456 1 249 . 1 1 22 22 THR HG22 H 1 1.275 0.03 . 1 . . . A 18 THR HG22 . 11456 1 250 . 1 1 22 22 THR HG23 H 1 1.275 0.03 . 1 . . . A 18 THR HG23 . 11456 1 251 . 1 1 22 22 THR C C 13 171.886 0.3 . 1 . . . A 18 THR C . 11456 1 252 . 1 1 22 22 THR CA C 13 59.037 0.3 . 1 . . . A 18 THR CA . 11456 1 253 . 1 1 22 22 THR CB C 13 71.738 0.3 . 1 . . . A 18 THR CB . 11456 1 254 . 1 1 22 22 THR CG2 C 13 21.073 0.3 . 1 . . . A 18 THR CG2 . 11456 1 255 . 1 1 22 22 THR N N 15 115.225 0.3 . 1 . . . A 18 THR N . 11456 1 256 . 1 1 23 23 PRO HA H 1 4.535 0.03 . 1 . . . A 19 PRO HA . 11456 1 257 . 1 1 23 23 PRO HB2 H 1 1.63 0.03 . 2 . . . A 19 PRO HB2 . 11456 1 258 . 1 1 23 23 PRO HB3 H 1 1.445 0.03 . 2 . . . A 19 PRO HB3 . 11456 1 259 . 1 1 23 23 PRO HG2 H 1 2.059 0.03 . 2 . . . A 19 PRO HG2 . 11456 1 260 . 1 1 23 23 PRO HG3 H 1 2.308 0.03 . 2 . . . A 19 PRO HG3 . 11456 1 261 . 1 1 23 23 PRO HD2 H 1 3.675 0.03 . 2 . . . A 19 PRO HD2 . 11456 1 262 . 1 1 23 23 PRO HD3 H 1 4.012 0.03 . 2 . . . A 19 PRO HD3 . 11456 1 263 . 1 1 23 23 PRO C C 13 174.622 0.3 . 1 . . . A 19 PRO C . 11456 1 264 . 1 1 23 23 PRO CA C 13 62.229 0.3 . 1 . . . A 19 PRO CA . 11456 1 265 . 1 1 23 23 PRO CB C 13 31.639 0.3 . 1 . . . A 19 PRO CB . 11456 1 266 . 1 1 23 23 PRO CG C 13 27.445 0.3 . 1 . . . A 19 PRO CG . 11456 1 267 . 1 1 23 23 PRO CD C 13 50.617 0.3 . 1 . . . A 19 PRO CD . 11456 1 268 . 1 1 24 24 ALA H H 1 8.798 0.03 . 1 . . . A 20 ALA H . 11456 1 269 . 1 1 24 24 ALA HA H 1 4.78 0.03 . 1 . . . A 20 ALA HA . 11456 1 270 . 1 1 24 24 ALA HB1 H 1 1.314 0.03 . 1 . . . A 20 ALA HB1 . 11456 1 271 . 1 1 24 24 ALA HB2 H 1 1.314 0.03 . 1 . . . A 20 ALA HB2 . 11456 1 272 . 1 1 24 24 ALA HB3 H 1 1.314 0.03 . 1 . . . A 20 ALA HB3 . 11456 1 273 . 1 1 24 24 ALA C C 13 175.927 0.3 . 1 . . . A 20 ALA C . 11456 1 274 . 1 1 24 24 ALA CA C 13 50.862 0.3 . 1 . . . A 20 ALA CA . 11456 1 275 . 1 1 24 24 ALA CB C 13 20.549 0.3 . 1 . . . A 20 ALA CB . 11456 1 276 . 1 1 24 24 ALA N N 15 126.358 0.3 . 1 . . . A 20 ALA N . 11456 1 277 . 1 1 25 25 TYR H H 1 8.904 0.03 . 1 . . . A 21 TYR H . 11456 1 278 . 1 1 25 25 TYR HA H 1 5.076 0.03 . 1 . . . A 21 TYR HA . 11456 1 279 . 1 1 25 25 TYR HB2 H 1 2.447 0.03 . 2 . . . A 21 TYR HB2 . 11456 1 280 . 1 1 25 25 TYR HB3 H 1 2.91 0.03 . 2 . . . A 21 TYR HB3 . 11456 1 281 . 1 1 25 25 TYR HD1 H 1 7.003 0.03 . 1 . . . A 21 TYR HD1 . 11456 1 282 . 1 1 25 25 TYR HD2 H 1 7.003 0.03 . 1 . . . A 21 TYR HD2 . 11456 1 283 . 1 1 25 25 TYR HE1 H 1 6.655 0.03 . 1 . . . A 21 TYR HE1 . 11456 1 284 . 1 1 25 25 TYR HE2 H 1 6.655 0.03 . 1 . . . A 21 TYR HE2 . 11456 1 285 . 1 1 25 25 TYR C C 13 176.04 0.3 . 1 . . . A 21 TYR C . 11456 1 286 . 1 1 25 25 TYR CA C 13 57.781 0.3 . 1 . . . A 21 TYR CA . 11456 1 287 . 1 1 25 25 TYR CB C 13 40.893 0.3 . 1 . . . A 21 TYR CB . 11456 1 288 . 1 1 25 25 TYR CD1 C 13 133.436 0.3 . 1 . . . A 21 TYR CD1 . 11456 1 289 . 1 1 25 25 TYR CD2 C 13 133.436 0.3 . 1 . . . A 21 TYR CD2 . 11456 1 290 . 1 1 25 25 TYR CE1 C 13 117.567 0.3 . 1 . . . A 21 TYR CE1 . 11456 1 291 . 1 1 25 25 TYR CE2 C 13 117.567 0.3 . 1 . . . A 21 TYR CE2 . 11456 1 292 . 1 1 25 25 TYR N N 15 122.86 0.3 . 1 . . . A 21 TYR N . 11456 1 293 . 1 1 26 26 GLU H H 1 9.181 0.03 . 1 . . . A 22 GLU H . 11456 1 294 . 1 1 26 26 GLU HA H 1 4.737 0.03 . 1 . . . A 22 GLU HA . 11456 1 295 . 1 1 26 26 GLU HB2 H 1 1.906 0.03 . 2 . . . A 22 GLU HB2 . 11456 1 296 . 1 1 26 26 GLU HB3 H 1 2.019 0.03 . 2 . . . A 22 GLU HB3 . 11456 1 297 . 1 1 26 26 GLU HG2 H 1 2.137 0.03 . 2 . . . A 22 GLU HG2 . 11456 1 298 . 1 1 26 26 GLU HG3 H 1 2.231 0.03 . 2 . . . A 22 GLU HG3 . 11456 1 299 . 1 1 26 26 GLU C C 13 175.025 0.3 . 1 . . . A 22 GLU C . 11456 1 300 . 1 1 26 26 GLU CA C 13 55.447 0.3 . 1 . . . A 22 GLU CA . 11456 1 301 . 1 1 26 26 GLU CB C 13 32.683 0.3 . 1 . . . A 22 GLU CB . 11456 1 302 . 1 1 26 26 GLU CG C 13 35.885 0.3 . 1 . . . A 22 GLU CG . 11456 1 303 . 1 1 26 26 GLU N N 15 123.739 0.3 . 1 . . . A 22 GLU N . 11456 1 304 . 1 1 27 27 ILE H H 1 8.959 0.03 . 1 . . . A 23 ILE H . 11456 1 305 . 1 1 27 27 ILE HA H 1 5.083 0.03 . 1 . . . A 23 ILE HA . 11456 1 306 . 1 1 27 27 ILE HB H 1 1.804 0.03 . 1 . . . A 23 ILE HB . 11456 1 307 . 1 1 27 27 ILE HG12 H 1 1.03 0.03 . 2 . . . A 23 ILE HG12 . 11456 1 308 . 1 1 27 27 ILE HG13 H 1 1.613 0.03 . 2 . . . A 23 ILE HG13 . 11456 1 309 . 1 1 27 27 ILE HG21 H 1 0.902 0.03 . 1 . . . A 23 ILE HG21 . 11456 1 310 . 1 1 27 27 ILE HG22 H 1 0.902 0.03 . 1 . . . A 23 ILE HG22 . 11456 1 311 . 1 1 27 27 ILE HG23 H 1 0.902 0.03 . 1 . . . A 23 ILE HG23 . 11456 1 312 . 1 1 27 27 ILE HD11 H 1 0.782 0.03 . 1 . . . A 23 ILE HD11 . 11456 1 313 . 1 1 27 27 ILE HD12 H 1 0.782 0.03 . 1 . . . A 23 ILE HD12 . 11456 1 314 . 1 1 27 27 ILE HD13 H 1 0.782 0.03 . 1 . . . A 23 ILE HD13 . 11456 1 315 . 1 1 27 27 ILE C C 13 174.749 0.3 . 1 . . . A 23 ILE C . 11456 1 316 . 1 1 27 27 ILE CA C 13 59.957 0.3 . 1 . . . A 23 ILE CA . 11456 1 317 . 1 1 27 27 ILE CB C 13 40.475 0.3 . 1 . . . A 23 ILE CB . 11456 1 318 . 1 1 27 27 ILE CG1 C 13 28.882 0.3 . 1 . . . A 23 ILE CG1 . 11456 1 319 . 1 1 27 27 ILE CG2 C 13 18.284 0.3 . 1 . . . A 23 ILE CG2 . 11456 1 320 . 1 1 27 27 ILE CD1 C 13 14.172 0.3 . 1 . . . A 23 ILE CD1 . 11456 1 321 . 1 1 27 27 ILE N N 15 126.358 0.3 . 1 . . . A 23 ILE N . 11456 1 322 . 1 1 28 28 ARG H H 1 9.086 0.03 . 1 . . . A 24 ARG H . 11456 1 323 . 1 1 28 28 ARG HA H 1 4.791 0.03 . 1 . . . A 24 ARG HA . 11456 1 324 . 1 1 28 28 ARG HB2 H 1 1.726 0.03 . 2 . . . A 24 ARG HB2 . 11456 1 325 . 1 1 28 28 ARG HB3 H 1 1.799 0.03 . 2 . . . A 24 ARG HB3 . 11456 1 326 . 1 1 28 28 ARG HG2 H 1 1.546 0.03 . 2 . . . A 24 ARG HG2 . 11456 1 327 . 1 1 28 28 ARG HG3 H 1 1.624 0.03 . 2 . . . A 24 ARG HG3 . 11456 1 328 . 1 1 28 28 ARG HD2 H 1 3.15 0.03 . 1 . . . A 24 ARG HD2 . 11456 1 329 . 1 1 28 28 ARG HD3 H 1 3.15 0.03 . 1 . . . A 24 ARG HD3 . 11456 1 330 . 1 1 28 28 ARG HE H 1 7.21 0.03 . 1 . . . A 24 ARG HE . 11456 1 331 . 1 1 28 28 ARG C C 13 174.005 0.3 . 1 . . . A 24 ARG C . 11456 1 332 . 1 1 28 28 ARG CA C 13 54.688 0.3 . 1 . . . A 24 ARG CA . 11456 1 333 . 1 1 28 28 ARG CB C 13 33.528 0.3 . 1 . . . A 24 ARG CB . 11456 1 334 . 1 1 28 28 ARG CG C 13 27.039 0.3 . 1 . . . A 24 ARG CG . 11456 1 335 . 1 1 28 28 ARG CD C 13 43.342 0.3 . 1 . . . A 24 ARG CD . 11456 1 336 . 1 1 28 28 ARG N N 15 126.672 0.3 . 1 . . . A 24 ARG N . 11456 1 337 . 1 1 28 28 ARG NE N 15 84.721 0.3 . 1 . . . A 24 ARG NE . 11456 1 338 . 1 1 29 29 ALA H H 1 8.763 0.03 . 1 . . . A 25 ALA H . 11456 1 339 . 1 1 29 29 ALA HA H 1 4.735 0.03 . 1 . . . A 25 ALA HA . 11456 1 340 . 1 1 29 29 ALA HB1 H 1 1.183 0.03 . 1 . . . A 25 ALA HB1 . 11456 1 341 . 1 1 29 29 ALA HB2 H 1 1.183 0.03 . 1 . . . A 25 ALA HB2 . 11456 1 342 . 1 1 29 29 ALA HB3 H 1 1.183 0.03 . 1 . . . A 25 ALA HB3 . 11456 1 343 . 1 1 29 29 ALA C C 13 177.343 0.3 . 1 . . . A 25 ALA C . 11456 1 344 . 1 1 29 29 ALA CA C 13 51.267 0.3 . 1 . . . A 25 ALA CA . 11456 1 345 . 1 1 29 29 ALA CB C 13 19.894 0.3 . 1 . . . A 25 ALA CB . 11456 1 346 . 1 1 29 29 ALA N N 15 126.944 0.3 . 1 . . . A 25 ALA N . 11456 1 347 . 1 1 30 30 VAL H H 1 8.567 0.03 . 1 . . . A 26 VAL H . 11456 1 348 . 1 1 30 30 VAL HA H 1 4.476 0.03 . 1 . . . A 26 VAL HA . 11456 1 349 . 1 1 30 30 VAL HB H 1 2.079 0.03 . 1 . . . A 26 VAL HB . 11456 1 350 . 1 1 30 30 VAL HG11 H 1 0.707 0.03 . 1 . . . A 26 VAL HG11 . 11456 1 351 . 1 1 30 30 VAL HG12 H 1 0.707 0.03 . 1 . . . A 26 VAL HG12 . 11456 1 352 . 1 1 30 30 VAL HG13 H 1 0.707 0.03 . 1 . . . A 26 VAL HG13 . 11456 1 353 . 1 1 30 30 VAL HG21 H 1 0.83 0.03 . 1 . . . A 26 VAL HG21 . 11456 1 354 . 1 1 30 30 VAL HG22 H 1 0.83 0.03 . 1 . . . A 26 VAL HG22 . 11456 1 355 . 1 1 30 30 VAL HG23 H 1 0.83 0.03 . 1 . . . A 26 VAL HG23 . 11456 1 356 . 1 1 30 30 VAL C C 13 175.447 0.3 . 1 . . . A 26 VAL C . 11456 1 357 . 1 1 30 30 VAL CA C 13 60.445 0.3 . 1 . . . A 26 VAL CA . 11456 1 358 . 1 1 30 30 VAL CB C 13 34.253 0.3 . 1 . . . A 26 VAL CB . 11456 1 359 . 1 1 30 30 VAL CG1 C 13 19.656 0.3 . 2 . . . A 26 VAL CG1 . 11456 1 360 . 1 1 30 30 VAL CG2 C 13 21.337 0.3 . 2 . . . A 26 VAL CG2 . 11456 1 361 . 1 1 30 30 VAL N N 15 119.052 0.3 . 1 . . . A 26 VAL N . 11456 1 362 . 1 1 31 31 GLY H H 1 8.308 0.03 . 1 . . . A 27 GLY H . 11456 1 363 . 1 1 31 31 GLY HA2 H 1 3.914 0.03 . 2 . . . A 27 GLY HA2 . 11456 1 364 . 1 1 31 31 GLY HA3 H 1 4.234 0.03 . 2 . . . A 27 GLY HA3 . 11456 1 365 . 1 1 31 31 GLY C C 13 173.311 0.3 . 1 . . . A 27 GLY C . 11456 1 366 . 1 1 31 31 GLY CA C 13 44.282 0.3 . 1 . . . A 27 GLY CA . 11456 1 367 . 1 1 31 31 GLY N N 15 111.434 0.3 . 1 . . . A 27 GLY N . 11456 1 368 . 1 1 32 32 ASN H H 1 8.099 0.03 . 1 . . . A 28 ASN H . 11456 1 369 . 1 1 32 32 ASN HA H 1 4.692 0.03 . 1 . . . A 28 ASN HA . 11456 1 370 . 1 1 32 32 ASN HB2 H 1 2.804 0.03 . 1 . . . A 28 ASN HB2 . 11456 1 371 . 1 1 32 32 ASN HB3 H 1 2.804 0.03 . 1 . . . A 28 ASN HB3 . 11456 1 372 . 1 1 32 32 ASN HD21 H 1 7.629 0.03 . 2 . . . A 28 ASN HD21 . 11456 1 373 . 1 1 32 32 ASN HD22 H 1 6.947 0.03 . 2 . . . A 28 ASN HD22 . 11456 1 374 . 1 1 32 32 ASN C C 13 175.163 0.3 . 1 . . . A 28 ASN C . 11456 1 375 . 1 1 32 32 ASN CA C 13 52.478 0.3 . 1 . . . A 28 ASN CA . 11456 1 376 . 1 1 32 32 ASN CB C 13 40.019 0.3 . 1 . . . A 28 ASN CB . 11456 1 377 . 1 1 32 32 ASN N N 15 118.27 0.3 . 1 . . . A 28 ASN N . 11456 1 378 . 1 1 32 32 ASN ND2 N 15 113.384 0.3 . 1 . . . A 28 ASN ND2 . 11456 1 379 . 1 1 33 33 LYS H H 1 8.529 0.03 . 1 . . . A 29 LYS H . 11456 1 380 . 1 1 33 33 LYS HA H 1 3.901 0.03 . 1 . . . A 29 LYS HA . 11456 1 381 . 1 1 33 33 LYS HB2 H 1 1.814 0.03 . 1 . . . A 29 LYS HB2 . 11456 1 382 . 1 1 33 33 LYS HB3 H 1 1.814 0.03 . 1 . . . A 29 LYS HB3 . 11456 1 383 . 1 1 33 33 LYS HG2 H 1 1.388 0.03 . 2 . . . A 29 LYS HG2 . 11456 1 384 . 1 1 33 33 LYS HG3 H 1 1.432 0.03 . 2 . . . A 29 LYS HG3 . 11456 1 385 . 1 1 33 33 LYS HD2 H 1 1.664 0.03 . 1 . . . A 29 LYS HD2 . 11456 1 386 . 1 1 33 33 LYS HD3 H 1 1.664 0.03 . 1 . . . A 29 LYS HD3 . 11456 1 387 . 1 1 33 33 LYS HE2 H 1 2.986 0.03 . 1 . . . A 29 LYS HE2 . 11456 1 388 . 1 1 33 33 LYS HE3 H 1 2.986 0.03 . 1 . . . A 29 LYS HE3 . 11456 1 389 . 1 1 33 33 LYS C C 13 176.879 0.3 . 1 . . . A 29 LYS C . 11456 1 390 . 1 1 33 33 LYS CA C 13 58.555 0.3 . 1 . . . A 29 LYS CA . 11456 1 391 . 1 1 33 33 LYS CB C 13 31.766 0.3 . 1 . . . A 29 LYS CB . 11456 1 392 . 1 1 33 33 LYS CG C 13 24.904 0.3 . 1 . . . A 29 LYS CG . 11456 1 393 . 1 1 33 33 LYS CD C 13 29.013 0.3 . 1 . . . A 29 LYS CD . 11456 1 394 . 1 1 33 33 LYS CE C 13 41.953 0.3 . 1 . . . A 29 LYS CE . 11456 1 395 . 1 1 33 33 LYS N N 15 119.327 0.3 . 1 . . . A 29 LYS N . 11456 1 396 . 1 1 34 34 ASN H H 1 8.339 0.03 . 1 . . . A 30 ASN H . 11456 1 397 . 1 1 34 34 ASN HA H 1 4.617 0.03 . 1 . . . A 30 ASN HA . 11456 1 398 . 1 1 34 34 ASN HB2 H 1 2.87 0.03 . 2 . . . A 30 ASN HB2 . 11456 1 399 . 1 1 34 34 ASN HB3 H 1 2.765 0.03 . 2 . . . A 30 ASN HB3 . 11456 1 400 . 1 1 34 34 ASN HD21 H 1 7.622 0.03 . 2 . . . A 30 ASN HD21 . 11456 1 401 . 1 1 34 34 ASN HD22 H 1 6.968 0.03 . 2 . . . A 30 ASN HD22 . 11456 1 402 . 1 1 34 34 ASN C C 13 175.068 0.3 . 1 . . . A 30 ASN C . 11456 1 403 . 1 1 34 34 ASN CA C 13 54.541 0.3 . 1 . . . A 30 ASN CA . 11456 1 404 . 1 1 34 34 ASN CB C 13 38.465 0.3 . 1 . . . A 30 ASN CB . 11456 1 405 . 1 1 34 34 ASN N N 15 116.146 0.3 . 1 . . . A 30 ASN N . 11456 1 406 . 1 1 34 34 ASN ND2 N 15 113.197 0.3 . 1 . . . A 30 ASN ND2 . 11456 1 407 . 1 1 35 35 ARG H H 1 7.927 0.03 . 1 . . . A 31 ARG H . 11456 1 408 . 1 1 35 35 ARG HA H 1 4.472 0.03 . 1 . . . A 31 ARG HA . 11456 1 409 . 1 1 35 35 ARG HB2 H 1 1.682 0.03 . 2 . . . A 31 ARG HB2 . 11456 1 410 . 1 1 35 35 ARG HB3 H 1 1.866 0.03 . 2 . . . A 31 ARG HB3 . 11456 1 411 . 1 1 35 35 ARG HG2 H 1 1.557 0.03 . 1 . . . A 31 ARG HG2 . 11456 1 412 . 1 1 35 35 ARG HG3 H 1 1.557 0.03 . 1 . . . A 31 ARG HG3 . 11456 1 413 . 1 1 35 35 ARG HD2 H 1 3.196 0.03 . 1 . . . A 31 ARG HD2 . 11456 1 414 . 1 1 35 35 ARG HD3 H 1 3.196 0.03 . 1 . . . A 31 ARG HD3 . 11456 1 415 . 1 1 35 35 ARG C C 13 174.839 0.3 . 1 . . . A 31 ARG C . 11456 1 416 . 1 1 35 35 ARG CA C 13 55.267 0.3 . 1 . . . A 31 ARG CA . 11456 1 417 . 1 1 35 35 ARG CB C 13 30.575 0.3 . 1 . . . A 31 ARG CB . 11456 1 418 . 1 1 35 35 ARG CG C 13 26.82 0.3 . 1 . . . A 31 ARG CG . 11456 1 419 . 1 1 35 35 ARG CD C 13 43.454 0.3 . 1 . . . A 31 ARG CD . 11456 1 420 . 1 1 35 35 ARG N N 15 121.28 0.3 . 1 . . . A 31 ARG N . 11456 1 421 . 1 1 36 36 GLN H H 1 8.234 0.03 . 1 . . . A 32 GLN H . 11456 1 422 . 1 1 36 36 GLN HA H 1 4.368 0.03 . 1 . . . A 32 GLN HA . 11456 1 423 . 1 1 36 36 GLN HB2 H 1 1.7 0.03 . 2 . . . A 32 GLN HB2 . 11456 1 424 . 1 1 36 36 GLN HB3 H 1 1.802 0.03 . 2 . . . A 32 GLN HB3 . 11456 1 425 . 1 1 36 36 GLN HG2 H 1 1.954 0.03 . 2 . . . A 32 GLN HG2 . 11456 1 426 . 1 1 36 36 GLN HG3 H 1 2.09 0.03 . 2 . . . A 32 GLN HG3 . 11456 1 427 . 1 1 36 36 GLN HE21 H 1 7.325 0.03 . 2 . . . A 32 GLN HE21 . 11456 1 428 . 1 1 36 36 GLN HE22 H 1 6.732 0.03 . 2 . . . A 32 GLN HE22 . 11456 1 429 . 1 1 36 36 GLN C C 13 175.24 0.3 . 1 . . . A 32 GLN C . 11456 1 430 . 1 1 36 36 GLN CA C 13 56.365 0.3 . 1 . . . A 32 GLN CA . 11456 1 431 . 1 1 36 36 GLN CB C 13 30.515 0.3 . 1 . . . A 32 GLN CB . 11456 1 432 . 1 1 36 36 GLN CG C 13 34.35 0.3 . 1 . . . A 32 GLN CG . 11456 1 433 . 1 1 36 36 GLN N N 15 123.269 0.3 . 1 . . . A 32 GLN N . 11456 1 434 . 1 1 36 36 GLN NE2 N 15 111.738 0.3 . 1 . . . A 32 GLN NE2 . 11456 1 435 . 1 1 37 37 LYS H H 1 8.173 0.03 . 1 . . . A 33 LYS H . 11456 1 436 . 1 1 37 37 LYS HA H 1 4.35 0.03 . 1 . . . A 33 LYS HA . 11456 1 437 . 1 1 37 37 LYS HB2 H 1 1.516 0.03 . 2 . . . A 33 LYS HB2 . 11456 1 438 . 1 1 37 37 LYS HB3 H 1 1.557 0.03 . 2 . . . A 33 LYS HB3 . 11456 1 439 . 1 1 37 37 LYS HG2 H 1 1.149 0.03 . 2 . . . A 33 LYS HG2 . 11456 1 440 . 1 1 37 37 LYS HG3 H 1 1.219 0.03 . 2 . . . A 33 LYS HG3 . 11456 1 441 . 1 1 37 37 LYS HD2 H 1 1.49 0.03 . 2 . . . A 33 LYS HD2 . 11456 1 442 . 1 1 37 37 LYS HD3 H 1 1.523 0.03 . 2 . . . A 33 LYS HD3 . 11456 1 443 . 1 1 37 37 LYS HE2 H 1 3.083 0.03 . 2 . . . A 33 LYS HE2 . 11456 1 444 . 1 1 37 37 LYS HE3 H 1 3.114 0.03 . 2 . . . A 33 LYS HE3 . 11456 1 445 . 1 1 37 37 LYS C C 13 173.586 0.3 . 1 . . . A 33 LYS C . 11456 1 446 . 1 1 37 37 LYS CA C 13 55.296 0.3 . 1 . . . A 33 LYS CA . 11456 1 447 . 1 1 37 37 LYS CB C 13 35.412 0.3 . 1 . . . A 33 LYS CB . 11456 1 448 . 1 1 37 37 LYS CG C 13 24.773 0.3 . 1 . . . A 33 LYS CG . 11456 1 449 . 1 1 37 37 LYS CD C 13 29.16 0.3 . 1 . . . A 33 LYS CD . 11456 1 450 . 1 1 37 37 LYS CE C 13 41.734 0.3 . 1 . . . A 33 LYS CE . 11456 1 451 . 1 1 37 37 LYS N N 15 121.28 0.3 . 1 . . . A 33 LYS N . 11456 1 452 . 1 1 38 38 PHE H H 1 8.818 0.03 . 1 . . . A 34 PHE H . 11456 1 453 . 1 1 38 38 PHE HA H 1 5.115 0.03 . 1 . . . A 34 PHE HA . 11456 1 454 . 1 1 38 38 PHE HB2 H 1 2.558 0.03 . 1 . . . A 34 PHE HB2 . 11456 1 455 . 1 1 38 38 PHE HB3 H 1 2.558 0.03 . 1 . . . A 34 PHE HB3 . 11456 1 456 . 1 1 38 38 PHE HD1 H 1 6.793 0.03 . 1 . . . A 34 PHE HD1 . 11456 1 457 . 1 1 38 38 PHE HD2 H 1 6.793 0.03 . 1 . . . A 34 PHE HD2 . 11456 1 458 . 1 1 38 38 PHE HE1 H 1 7.345 0.03 . 1 . . . A 34 PHE HE1 . 11456 1 459 . 1 1 38 38 PHE HE2 H 1 7.345 0.03 . 1 . . . A 34 PHE HE2 . 11456 1 460 . 1 1 38 38 PHE HZ H 1 7.302 0.03 . 1 . . . A 34 PHE HZ . 11456 1 461 . 1 1 38 38 PHE C C 13 174.456 0.3 . 1 . . . A 34 PHE C . 11456 1 462 . 1 1 38 38 PHE CA C 13 57.434 0.3 . 1 . . . A 34 PHE CA . 11456 1 463 . 1 1 38 38 PHE CB C 13 41.399 0.3 . 1 . . . A 34 PHE CB . 11456 1 464 . 1 1 38 38 PHE CD1 C 13 131.223 0.3 . 1 . . . A 34 PHE CD1 . 11456 1 465 . 1 1 38 38 PHE CD2 C 13 131.223 0.3 . 1 . . . A 34 PHE CD2 . 11456 1 466 . 1 1 38 38 PHE CE1 C 13 131.502 0.3 . 1 . . . A 34 PHE CE1 . 11456 1 467 . 1 1 38 38 PHE CE2 C 13 131.502 0.3 . 1 . . . A 34 PHE CE2 . 11456 1 468 . 1 1 38 38 PHE CZ C 13 130.182 0.3 . 1 . . . A 34 PHE CZ . 11456 1 469 . 1 1 38 38 PHE N N 15 119.717 0.3 . 1 . . . A 34 PHE N . 11456 1 470 . 1 1 39 39 MET H H 1 9.133 0.03 . 1 . . . A 35 MET H . 11456 1 471 . 1 1 39 39 MET HA H 1 5.118 0.03 . 1 . . . A 35 MET HA . 11456 1 472 . 1 1 39 39 MET HB2 H 1 1.977 0.03 . 2 . . . A 35 MET HB2 . 11456 1 473 . 1 1 39 39 MET HB3 H 1 2.159 0.03 . 2 . . . A 35 MET HB3 . 11456 1 474 . 1 1 39 39 MET HG2 H 1 2.474 0.03 . 2 . . . A 35 MET HG2 . 11456 1 475 . 1 1 39 39 MET HG3 H 1 2.532 0.03 . 2 . . . A 35 MET HG3 . 11456 1 476 . 1 1 39 39 MET HE1 H 1 2.031 0.03 . 1 . . . A 35 MET HE1 . 11456 1 477 . 1 1 39 39 MET HE2 H 1 2.031 0.03 . 1 . . . A 35 MET HE2 . 11456 1 478 . 1 1 39 39 MET HE3 H 1 2.031 0.03 . 1 . . . A 35 MET HE3 . 11456 1 479 . 1 1 39 39 MET C C 13 174.82 0.3 . 1 . . . A 35 MET C . 11456 1 480 . 1 1 39 39 MET CA C 13 53.815 0.3 . 1 . . . A 35 MET CA . 11456 1 481 . 1 1 39 39 MET CB C 13 34.064 0.3 . 1 . . . A 35 MET CB . 11456 1 482 . 1 1 39 39 MET CG C 13 31.938 0.3 . 1 . . . A 35 MET CG . 11456 1 483 . 1 1 39 39 MET CE C 13 17.179 0.3 . 1 . . . A 35 MET CE . 11456 1 484 . 1 1 39 39 MET N N 15 121.28 0.3 . 1 . . . A 35 MET N . 11456 1 485 . 1 1 40 40 CYS H H 1 9.488 0.03 . 1 . . . A 36 CYS H . 11456 1 486 . 1 1 40 40 CYS HA H 1 5.729 0.03 . 1 . . . A 36 CYS HA . 11456 1 487 . 1 1 40 40 CYS HB2 H 1 2.415 0.03 . 2 . . . A 36 CYS HB2 . 11456 1 488 . 1 1 40 40 CYS HB3 H 1 2.657 0.03 . 2 . . . A 36 CYS HB3 . 11456 1 489 . 1 1 40 40 CYS C C 13 172.515 0.3 . 1 . . . A 36 CYS C . 11456 1 490 . 1 1 40 40 CYS CA C 13 55.88 0.3 . 1 . . . A 36 CYS CA . 11456 1 491 . 1 1 40 40 CYS CB C 13 30.2 0.3 . 1 . . . A 36 CYS CB . 11456 1 492 . 1 1 40 40 CYS N N 15 124.325 0.3 . 1 . . . A 36 CYS N . 11456 1 493 . 1 1 41 41 GLU H H 1 8.824 0.03 . 1 . . . A 37 GLU H . 11456 1 494 . 1 1 41 41 GLU HA H 1 5.797 0.03 . 1 . . . A 37 GLU HA . 11456 1 495 . 1 1 41 41 GLU HB2 H 1 1.811 0.03 . 2 . . . A 37 GLU HB2 . 11456 1 496 . 1 1 41 41 GLU HB3 H 1 1.858 0.03 . 2 . . . A 37 GLU HB3 . 11456 1 497 . 1 1 41 41 GLU HG2 H 1 2.144 0.03 . 2 . . . A 37 GLU HG2 . 11456 1 498 . 1 1 41 41 GLU HG3 H 1 2.257 0.03 . 2 . . . A 37 GLU HG3 . 11456 1 499 . 1 1 41 41 GLU C C 13 175.353 0.3 . 1 . . . A 37 GLU C . 11456 1 500 . 1 1 41 41 GLU CA C 13 53.865 0.3 . 1 . . . A 37 GLU CA . 11456 1 501 . 1 1 41 41 GLU CB C 13 34.017 0.3 . 1 . . . A 37 GLU CB . 11456 1 502 . 1 1 41 41 GLU CG C 13 36.836 0.3 . 1 . . . A 37 GLU CG . 11456 1 503 . 1 1 41 41 GLU N N 15 129.453 0.3 . 1 . . . A 37 GLU N . 11456 1 504 . 1 1 42 42 VAL H H 1 9.214 0.03 . 1 . . . A 38 VAL H . 11456 1 505 . 1 1 42 42 VAL HA H 1 5.064 0.03 . 1 . . . A 38 VAL HA . 11456 1 506 . 1 1 42 42 VAL HB H 1 1.316 0.03 . 1 . . . A 38 VAL HB . 11456 1 507 . 1 1 42 42 VAL HG11 H 1 0.503 0.03 . 1 . . . A 38 VAL HG11 . 11456 1 508 . 1 1 42 42 VAL HG12 H 1 0.503 0.03 . 1 . . . A 38 VAL HG12 . 11456 1 509 . 1 1 42 42 VAL HG13 H 1 0.503 0.03 . 1 . . . A 38 VAL HG13 . 11456 1 510 . 1 1 42 42 VAL HG21 H 1 -0.223 0.03 . 1 . . . A 38 VAL HG21 . 11456 1 511 . 1 1 42 42 VAL HG22 H 1 -0.223 0.03 . 1 . . . A 38 VAL HG22 . 11456 1 512 . 1 1 42 42 VAL HG23 H 1 -0.223 0.03 . 1 . . . A 38 VAL HG23 . 11456 1 513 . 1 1 42 42 VAL C C 13 171.925 0.3 . 1 . . . A 38 VAL C . 11456 1 514 . 1 1 42 42 VAL CA C 13 57.981 0.3 . 1 . . . A 38 VAL CA . 11456 1 515 . 1 1 42 42 VAL CB C 13 34.966 0.3 . 1 . . . A 38 VAL CB . 11456 1 516 . 1 1 42 42 VAL CG1 C 13 20.26 0.3 . 2 . . . A 38 VAL CG1 . 11456 1 517 . 1 1 42 42 VAL CG2 C 13 21.608 0.3 . 2 . . . A 38 VAL CG2 . 11456 1 518 . 1 1 42 42 VAL N N 15 123.352 0.3 . 1 . . . A 38 VAL N . 11456 1 519 . 1 1 43 43 ARG H H 1 8.14 0.03 . 1 . . . A 39 ARG H . 11456 1 520 . 1 1 43 43 ARG HA H 1 4.667 0.03 . 1 . . . A 39 ARG HA . 11456 1 521 . 1 1 43 43 ARG HB2 H 1 1.473 0.03 . 2 . . . A 39 ARG HB2 . 11456 1 522 . 1 1 43 43 ARG HB3 H 1 1.776 0.03 . 2 . . . A 39 ARG HB3 . 11456 1 523 . 1 1 43 43 ARG HG2 H 1 1.522 0.03 . 2 . . . A 39 ARG HG2 . 11456 1 524 . 1 1 43 43 ARG HG3 H 1 1.487 0.03 . 2 . . . A 39 ARG HG3 . 11456 1 525 . 1 1 43 43 ARG HD2 H 1 3.051 0.03 . 2 . . . A 39 ARG HD2 . 11456 1 526 . 1 1 43 43 ARG HD3 H 1 3.114 0.03 . 2 . . . A 39 ARG HD3 . 11456 1 527 . 1 1 43 43 ARG HE H 1 7.257 0.03 . 1 . . . A 39 ARG HE . 11456 1 528 . 1 1 43 43 ARG C C 13 174.952 0.3 . 1 . . . A 39 ARG C . 11456 1 529 . 1 1 43 43 ARG CA C 13 54.023 0.3 . 1 . . . A 39 ARG CA . 11456 1 530 . 1 1 43 43 ARG CB C 13 34.675 0.3 . 1 . . . A 39 ARG CB . 11456 1 531 . 1 1 43 43 ARG CG C 13 28.94 0.3 . 1 . . . A 39 ARG CG . 11456 1 532 . 1 1 43 43 ARG CD C 13 42.904 0.3 . 1 . . . A 39 ARG CD . 11456 1 533 . 1 1 43 43 ARG N N 15 124.769 0.3 . 1 . . . A 39 ARG N . 11456 1 534 . 1 1 43 43 ARG NE N 15 85.498 0.3 . 1 . . . A 39 ARG NE . 11456 1 535 . 1 1 44 44 VAL H H 1 9.366 0.03 . 1 . . . A 40 VAL H . 11456 1 536 . 1 1 44 44 VAL HA H 1 4.136 0.03 . 1 . . . A 40 VAL HA . 11456 1 537 . 1 1 44 44 VAL HB H 1 2.016 0.03 . 1 . . . A 40 VAL HB . 11456 1 538 . 1 1 44 44 VAL HG11 H 1 0.178 0.03 . 1 . . . A 40 VAL HG11 . 11456 1 539 . 1 1 44 44 VAL HG12 H 1 0.178 0.03 . 1 . . . A 40 VAL HG12 . 11456 1 540 . 1 1 44 44 VAL HG13 H 1 0.178 0.03 . 1 . . . A 40 VAL HG13 . 11456 1 541 . 1 1 44 44 VAL HG21 H 1 1.243 0.03 . 1 . . . A 40 VAL HG21 . 11456 1 542 . 1 1 44 44 VAL HG22 H 1 1.243 0.03 . 1 . . . A 40 VAL HG22 . 11456 1 543 . 1 1 44 44 VAL HG23 H 1 1.243 0.03 . 1 . . . A 40 VAL HG23 . 11456 1 544 . 1 1 44 44 VAL C C 13 175.09 0.3 . 1 . . . A 40 VAL C . 11456 1 545 . 1 1 44 44 VAL CA C 13 61.554 0.3 . 1 . . . A 40 VAL CA . 11456 1 546 . 1 1 44 44 VAL CB C 13 35.08 0.3 . 1 . . . A 40 VAL CB . 11456 1 547 . 1 1 44 44 VAL CG1 C 13 21.703 0.3 . 2 . . . A 40 VAL CG1 . 11456 1 548 . 1 1 44 44 VAL CG2 C 13 23.01 0.3 . 2 . . . A 40 VAL CG2 . 11456 1 549 . 1 1 44 44 VAL N N 15 122.559 0.3 . 1 . . . A 40 VAL N . 11456 1 550 . 1 1 45 45 GLU H H 1 8.511 0.03 . 1 . . . A 41 GLU H . 11456 1 551 . 1 1 45 45 GLU HA H 1 4.068 0.03 . 1 . . . A 41 GLU HA . 11456 1 552 . 1 1 45 45 GLU HB2 H 1 2.074 0.03 . 1 . . . A 41 GLU HB2 . 11456 1 553 . 1 1 45 45 GLU HB3 H 1 2.074 0.03 . 1 . . . A 41 GLU HB3 . 11456 1 554 . 1 1 45 45 GLU HG2 H 1 2.289 0.03 . 1 . . . A 41 GLU HG2 . 11456 1 555 . 1 1 45 45 GLU HG3 H 1 2.289 0.03 . 1 . . . A 41 GLU HG3 . 11456 1 556 . 1 1 45 45 GLU C C 13 175.964 0.3 . 1 . . . A 41 GLU C . 11456 1 557 . 1 1 45 45 GLU CA C 13 58.7 0.3 . 1 . . . A 41 GLU CA . 11456 1 558 . 1 1 45 45 GLU CB C 13 29.626 0.3 . 1 . . . A 41 GLU CB . 11456 1 559 . 1 1 45 45 GLU CG C 13 36.043 0.3 . 1 . . . A 41 GLU CG . 11456 1 560 . 1 1 45 45 GLU N N 15 128.702 0.3 . 1 . . . A 41 GLU N . 11456 1 561 . 1 1 46 46 GLY H H 1 8.533 0.03 . 1 . . . A 42 GLY H . 11456 1 562 . 1 1 46 46 GLY HA2 H 1 3.486 0.03 . 2 . . . A 42 GLY HA2 . 11456 1 563 . 1 1 46 46 GLY HA3 H 1 4.149 0.03 . 2 . . . A 42 GLY HA3 . 11456 1 564 . 1 1 46 46 GLY C C 13 174.108 0.3 . 1 . . . A 42 GLY C . 11456 1 565 . 1 1 46 46 GLY CA C 13 44.534 0.3 . 1 . . . A 42 GLY CA . 11456 1 566 . 1 1 46 46 GLY N N 15 111.434 0.3 . 1 . . . A 42 GLY N . 11456 1 567 . 1 1 47 47 PHE H H 1 8.22 0.03 . 1 . . . A 43 PHE H . 11456 1 568 . 1 1 47 47 PHE HA H 1 4.989 0.03 . 1 . . . A 43 PHE HA . 11456 1 569 . 1 1 47 47 PHE HB2 H 1 3.469 0.03 . 2 . . . A 43 PHE HB2 . 11456 1 570 . 1 1 47 47 PHE HB3 H 1 3.504 0.03 . 2 . . . A 43 PHE HB3 . 11456 1 571 . 1 1 47 47 PHE HD1 H 1 7.533 0.03 . 1 . . . A 43 PHE HD1 . 11456 1 572 . 1 1 47 47 PHE HD2 H 1 7.533 0.03 . 1 . . . A 43 PHE HD2 . 11456 1 573 . 1 1 47 47 PHE HE1 H 1 7.459 0.03 . 1 . . . A 43 PHE HE1 . 11456 1 574 . 1 1 47 47 PHE HE2 H 1 7.459 0.03 . 1 . . . A 43 PHE HE2 . 11456 1 575 . 1 1 47 47 PHE HZ H 1 7.475 0.03 . 1 . . . A 43 PHE HZ . 11456 1 576 . 1 1 47 47 PHE C C 13 176.511 0.3 . 1 . . . A 43 PHE C . 11456 1 577 . 1 1 47 47 PHE CA C 13 57.639 0.3 . 1 . . . A 43 PHE CA . 11456 1 578 . 1 1 47 47 PHE CB C 13 41.305 0.3 . 1 . . . A 43 PHE CB . 11456 1 579 . 1 1 47 47 PHE CD1 C 13 132.628 0.3 . 1 . . . A 43 PHE CD1 . 11456 1 580 . 1 1 47 47 PHE CD2 C 13 132.628 0.3 . 1 . . . A 43 PHE CD2 . 11456 1 581 . 1 1 47 47 PHE CE1 C 13 131.31 0.3 . 1 . . . A 43 PHE CE1 . 11456 1 582 . 1 1 47 47 PHE CE2 C 13 131.31 0.3 . 1 . . . A 43 PHE CE2 . 11456 1 583 . 1 1 47 47 PHE CZ C 13 129.822 0.3 . 1 . . . A 43 PHE CZ . 11456 1 584 . 1 1 47 47 PHE N N 15 118.1 0.3 . 1 . . . A 43 PHE N . 11456 1 585 . 1 1 48 48 ASN H H 1 9.224 0.03 . 1 . . . A 44 ASN H . 11456 1 586 . 1 1 48 48 ASN HA H 1 4.868 0.03 . 1 . . . A 44 ASN HA . 11456 1 587 . 1 1 48 48 ASN HB2 H 1 2.834 0.03 . 2 . . . A 44 ASN HB2 . 11456 1 588 . 1 1 48 48 ASN HB3 H 1 2.953 0.03 . 2 . . . A 44 ASN HB3 . 11456 1 589 . 1 1 48 48 ASN HD21 H 1 6.965 0.03 . 2 . . . A 44 ASN HD21 . 11456 1 590 . 1 1 48 48 ASN HD22 H 1 7.666 0.03 . 2 . . . A 44 ASN HD22 . 11456 1 591 . 1 1 48 48 ASN C C 13 174.163 0.3 . 1 . . . A 44 ASN C . 11456 1 592 . 1 1 48 48 ASN CA C 13 53.081 0.3 . 1 . . . A 44 ASN CA . 11456 1 593 . 1 1 48 48 ASN CB C 13 37.796 0.3 . 1 . . . A 44 ASN CB . 11456 1 594 . 1 1 48 48 ASN N N 15 123.644 0.3 . 1 . . . A 44 ASN N . 11456 1 595 . 1 1 48 48 ASN ND2 N 15 112.491 0.3 . 1 . . . A 44 ASN ND2 . 11456 1 596 . 1 1 49 49 TYR H H 1 7.237 0.03 . 1 . . . A 45 TYR H . 11456 1 597 . 1 1 49 49 TYR HA H 1 4.114 0.03 . 1 . . . A 45 TYR HA . 11456 1 598 . 1 1 49 49 TYR HB2 H 1 1.45 0.03 . 2 . . . A 45 TYR HB2 . 11456 1 599 . 1 1 49 49 TYR HB3 H 1 2.151 0.03 . 2 . . . A 45 TYR HB3 . 11456 1 600 . 1 1 49 49 TYR HD1 H 1 6.45 0.03 . 1 . . . A 45 TYR HD1 . 11456 1 601 . 1 1 49 49 TYR HD2 H 1 6.45 0.03 . 1 . . . A 45 TYR HD2 . 11456 1 602 . 1 1 49 49 TYR HE1 H 1 6.497 0.03 . 1 . . . A 45 TYR HE1 . 11456 1 603 . 1 1 49 49 TYR HE2 H 1 6.497 0.03 . 1 . . . A 45 TYR HE2 . 11456 1 604 . 1 1 49 49 TYR C C 13 172.491 0.3 . 1 . . . A 45 TYR C . 11456 1 605 . 1 1 49 49 TYR CA C 13 58.679 0.3 . 1 . . . A 45 TYR CA . 11456 1 606 . 1 1 49 49 TYR CB C 13 40.035 0.3 . 1 . . . A 45 TYR CB . 11456 1 607 . 1 1 49 49 TYR CD1 C 13 132.515 0.3 . 1 . . . A 45 TYR CD1 . 11456 1 608 . 1 1 49 49 TYR CD2 C 13 132.515 0.3 . 1 . . . A 45 TYR CD2 . 11456 1 609 . 1 1 49 49 TYR CE1 C 13 118.086 0.3 . 1 . . . A 45 TYR CE1 . 11456 1 610 . 1 1 49 49 TYR CE2 C 13 118.086 0.3 . 1 . . . A 45 TYR CE2 . 11456 1 611 . 1 1 49 49 TYR N N 15 120.739 0.3 . 1 . . . A 45 TYR N . 11456 1 612 . 1 1 50 50 ALA H H 1 6.935 0.03 . 1 . . . A 46 ALA H . 11456 1 613 . 1 1 50 50 ALA HA H 1 4.941 0.03 . 1 . . . A 46 ALA HA . 11456 1 614 . 1 1 50 50 ALA HB1 H 1 0.958 0.03 . 1 . . . A 46 ALA HB1 . 11456 1 615 . 1 1 50 50 ALA HB2 H 1 0.958 0.03 . 1 . . . A 46 ALA HB2 . 11456 1 616 . 1 1 50 50 ALA HB3 H 1 0.958 0.03 . 1 . . . A 46 ALA HB3 . 11456 1 617 . 1 1 50 50 ALA C C 13 176.747 0.3 . 1 . . . A 46 ALA C . 11456 1 618 . 1 1 50 50 ALA CA C 13 49.708 0.3 . 1 . . . A 46 ALA CA . 11456 1 619 . 1 1 50 50 ALA CB C 13 19.555 0.3 . 1 . . . A 46 ALA CB . 11456 1 620 . 1 1 50 50 ALA N N 15 129.81 0.3 . 1 . . . A 46 ALA N . 11456 1 621 . 1 1 51 51 GLY H H 1 8.809 0.03 . 1 . . . A 47 GLY H . 11456 1 622 . 1 1 51 51 GLY HA2 H 1 3.606 0.03 . 1 . . . A 47 GLY HA2 . 11456 1 623 . 1 1 51 51 GLY HA3 H 1 3.606 0.03 . 1 . . . A 47 GLY HA3 . 11456 1 624 . 1 1 51 51 GLY C C 13 173.485 0.3 . 1 . . . A 47 GLY C . 11456 1 625 . 1 1 51 51 GLY CA C 13 45.296 0.3 . 1 . . . A 47 GLY CA . 11456 1 626 . 1 1 51 51 GLY N N 15 108.993 0.3 . 1 . . . A 47 GLY N . 11456 1 627 . 1 1 52 52 MET H H 1 9.293 0.03 . 1 . . . A 48 MET H . 11456 1 628 . 1 1 52 52 MET HA H 1 5.602 0.03 . 1 . . . A 48 MET HA . 11456 1 629 . 1 1 52 52 MET HB2 H 1 1.954 0.03 . 2 . . . A 48 MET HB2 . 11456 1 630 . 1 1 52 52 MET HB3 H 1 2.032 0.03 . 2 . . . A 48 MET HB3 . 11456 1 631 . 1 1 52 52 MET HG2 H 1 2.479 0.03 . 2 . . . A 48 MET HG2 . 11456 1 632 . 1 1 52 52 MET HG3 H 1 2.548 0.03 . 2 . . . A 48 MET HG3 . 11456 1 633 . 1 1 52 52 MET HE1 H 1 2.086 0.03 . 1 . . . A 48 MET HE1 . 11456 1 634 . 1 1 52 52 MET HE2 H 1 2.086 0.03 . 1 . . . A 48 MET HE2 . 11456 1 635 . 1 1 52 52 MET HE3 H 1 2.086 0.03 . 1 . . . A 48 MET HE3 . 11456 1 636 . 1 1 52 52 MET C C 13 175.468 0.3 . 1 . . . A 48 MET C . 11456 1 637 . 1 1 52 52 MET CA C 13 54.238 0.3 . 1 . . . A 48 MET CA . 11456 1 638 . 1 1 52 52 MET CB C 13 36.247 0.3 . 1 . . . A 48 MET CB . 11456 1 639 . 1 1 52 52 MET CG C 13 31.865 0.3 . 1 . . . A 48 MET CG . 11456 1 640 . 1 1 52 52 MET CE C 13 17.651 0.3 . 1 . . . A 48 MET CE . 11456 1 641 . 1 1 52 52 MET N N 15 122.894 0.3 . 1 . . . A 48 MET N . 11456 1 642 . 1 1 53 53 GLY H H 1 8.81 0.03 . 1 . . . A 49 GLY H . 11456 1 643 . 1 1 53 53 GLY HA2 H 1 3.788 0.03 . 2 . . . A 49 GLY HA2 . 11456 1 644 . 1 1 53 53 GLY HA3 H 1 4.542 0.03 . 2 . . . A 49 GLY HA3 . 11456 1 645 . 1 1 53 53 GLY C C 13 170.939 0.3 . 1 . . . A 49 GLY C . 11456 1 646 . 1 1 53 53 GLY CA C 13 45.025 0.3 . 1 . . . A 49 GLY CA . 11456 1 647 . 1 1 53 53 GLY N N 15 108.273 0.3 . 1 . . . A 49 GLY N . 11456 1 648 . 1 1 54 54 ASN H H 1 9.127 0.03 . 1 . . . A 50 ASN H . 11456 1 649 . 1 1 54 54 ASN HA H 1 5.922 0.03 . 1 . . . A 50 ASN HA . 11456 1 650 . 1 1 54 54 ASN HB2 H 1 2.654 0.03 . 2 . . . A 50 ASN HB2 . 11456 1 651 . 1 1 54 54 ASN HB3 H 1 2.872 0.03 . 2 . . . A 50 ASN HB3 . 11456 1 652 . 1 1 54 54 ASN HD21 H 1 7.63 0.03 . 2 . . . A 50 ASN HD21 . 11456 1 653 . 1 1 54 54 ASN HD22 H 1 6.813 0.03 . 2 . . . A 50 ASN HD22 . 11456 1 654 . 1 1 54 54 ASN C C 13 174.544 0.3 . 1 . . . A 50 ASN C . 11456 1 655 . 1 1 54 54 ASN CA C 13 52.608 0.3 . 1 . . . A 50 ASN CA . 11456 1 656 . 1 1 54 54 ASN CB C 13 43.611 0.3 . 1 . . . A 50 ASN CB . 11456 1 657 . 1 1 54 54 ASN N N 15 117.833 0.3 . 1 . . . A 50 ASN N . 11456 1 658 . 1 1 54 54 ASN ND2 N 15 114.462 0.3 . 1 . . . A 50 ASN ND2 . 11456 1 659 . 1 1 55 55 SER H H 1 8.632 0.03 . 1 . . . A 51 SER H . 11456 1 660 . 1 1 55 55 SER HA H 1 4.735 0.03 . 1 . . . A 51 SER HA . 11456 1 661 . 1 1 55 55 SER HB2 H 1 3.715 0.03 . 2 . . . A 51 SER HB2 . 11456 1 662 . 1 1 55 55 SER HB3 H 1 4.084 0.03 . 2 . . . A 51 SER HB3 . 11456 1 663 . 1 1 55 55 SER C C 13 174.175 0.3 . 1 . . . A 51 SER C . 11456 1 664 . 1 1 55 55 SER CA C 13 57.609 0.3 . 1 . . . A 51 SER CA . 11456 1 665 . 1 1 55 55 SER CB C 13 62.602 0.3 . 1 . . . A 51 SER CB . 11456 1 666 . 1 1 55 55 SER N N 15 112.295 0.3 . 1 . . . A 51 SER N . 11456 1 667 . 1 1 56 56 THR H H 1 8.431 0.03 . 1 . . . A 52 THR H . 11456 1 668 . 1 1 56 56 THR HA H 1 4.564 0.03 . 1 . . . A 52 THR HA . 11456 1 669 . 1 1 56 56 THR HB H 1 4.646 0.03 . 1 . . . A 52 THR HB . 11456 1 670 . 1 1 56 56 THR HG21 H 1 1.397 0.03 . 1 . . . A 52 THR HG21 . 11456 1 671 . 1 1 56 56 THR HG22 H 1 1.397 0.03 . 1 . . . A 52 THR HG22 . 11456 1 672 . 1 1 56 56 THR HG23 H 1 1.397 0.03 . 1 . . . A 52 THR HG23 . 11456 1 673 . 1 1 56 56 THR C C 13 173.567 0.3 . 1 . . . A 52 THR C . 11456 1 674 . 1 1 56 56 THR CA C 13 63.324 0.3 . 1 . . . A 52 THR CA . 11456 1 675 . 1 1 56 56 THR CB C 13 69.298 0.3 . 1 . . . A 52 THR CB . 11456 1 676 . 1 1 56 56 THR CG2 C 13 22.236 0.3 . 1 . . . A 52 THR CG2 . 11456 1 677 . 1 1 56 56 THR N N 15 113.584 0.3 . 1 . . . A 52 THR N . 11456 1 678 . 1 1 57 57 ASN H H 1 8.283 0.03 . 1 . . . A 53 ASN H . 11456 1 679 . 1 1 57 57 ASN HA H 1 5.013 0.03 . 1 . . . A 53 ASN HA . 11456 1 680 . 1 1 57 57 ASN HB2 H 1 2.743 0.03 . 2 . . . A 53 ASN HB2 . 11456 1 681 . 1 1 57 57 ASN HB3 H 1 2.784 0.03 . 2 . . . A 53 ASN HB3 . 11456 1 682 . 1 1 57 57 ASN HD21 H 1 7.525 0.03 . 2 . . . A 53 ASN HD21 . 11456 1 683 . 1 1 57 57 ASN HD22 H 1 7.457 0.03 . 2 . . . A 53 ASN HD22 . 11456 1 684 . 1 1 57 57 ASN C C 13 174.293 0.3 . 1 . . . A 53 ASN C . 11456 1 685 . 1 1 57 57 ASN CA C 13 52.339 0.3 . 1 . . . A 53 ASN CA . 11456 1 686 . 1 1 57 57 ASN CB C 13 42.151 0.3 . 1 . . . A 53 ASN CB . 11456 1 687 . 1 1 57 57 ASN N N 15 117.365 0.3 . 1 . . . A 53 ASN N . 11456 1 688 . 1 1 57 57 ASN ND2 N 15 116.213 0.3 . 1 . . . A 53 ASN ND2 . 11456 1 689 . 1 1 58 58 LYS H H 1 8.425 0.03 . 1 . . . A 54 LYS H . 11456 1 690 . 1 1 58 58 LYS HA H 1 3.091 0.03 . 1 . . . A 54 LYS HA . 11456 1 691 . 1 1 58 58 LYS HB2 H 1 0.993 0.03 . 2 . . . A 54 LYS HB2 . 11456 1 692 . 1 1 58 58 LYS HB3 H 1 1.186 0.03 . 2 . . . A 54 LYS HB3 . 11456 1 693 . 1 1 58 58 LYS HG2 H 1 0.547 0.03 . 1 . . . A 54 LYS HG2 . 11456 1 694 . 1 1 58 58 LYS HG3 H 1 0.547 0.03 . 1 . . . A 54 LYS HG3 . 11456 1 695 . 1 1 58 58 LYS HD2 H 1 1.355 0.03 . 1 . . . A 54 LYS HD2 . 11456 1 696 . 1 1 58 58 LYS HD3 H 1 1.355 0.03 . 1 . . . A 54 LYS HD3 . 11456 1 697 . 1 1 58 58 LYS HE2 H 1 2.637 0.03 . 1 . . . A 54 LYS HE2 . 11456 1 698 . 1 1 58 58 LYS HE3 H 1 2.637 0.03 . 1 . . . A 54 LYS HE3 . 11456 1 699 . 1 1 58 58 LYS C C 13 177.57 0.3 . 1 . . . A 54 LYS C . 11456 1 700 . 1 1 58 58 LYS CA C 13 60.635 0.3 . 1 . . . A 54 LYS CA . 11456 1 701 . 1 1 58 58 LYS CB C 13 32.582 0.3 . 1 . . . A 54 LYS CB . 11456 1 702 . 1 1 58 58 LYS CG C 13 25.11 0.3 . 1 . . . A 54 LYS CG . 11456 1 703 . 1 1 58 58 LYS CD C 13 29.233 0.3 . 1 . . . A 54 LYS CD . 11456 1 704 . 1 1 58 58 LYS CE C 13 41.734 0.3 . 1 . . . A 54 LYS CE . 11456 1 705 . 1 1 58 58 LYS N N 15 123.858 0.3 . 1 . . . A 54 LYS N . 11456 1 706 . 1 1 59 59 LYS H H 1 7.966 0.03 . 1 . . . A 55 LYS H . 11456 1 707 . 1 1 59 59 LYS HA H 1 3.891 0.03 . 1 . . . A 55 LYS HA . 11456 1 708 . 1 1 59 59 LYS HB2 H 1 1.781 0.03 . 1 . . . A 55 LYS HB2 . 11456 1 709 . 1 1 59 59 LYS HB3 H 1 1.781 0.03 . 1 . . . A 55 LYS HB3 . 11456 1 710 . 1 1 59 59 LYS HG2 H 1 1.303 0.03 . 1 . . . A 55 LYS HG2 . 11456 1 711 . 1 1 59 59 LYS HG3 H 1 1.303 0.03 . 1 . . . A 55 LYS HG3 . 11456 1 712 . 1 1 59 59 LYS HD2 H 1 1.633 0.03 . 1 . . . A 55 LYS HD2 . 11456 1 713 . 1 1 59 59 LYS HD3 H 1 1.633 0.03 . 1 . . . A 55 LYS HD3 . 11456 1 714 . 1 1 59 59 LYS HE2 H 1 2.938 0.03 . 1 . . . A 55 LYS HE2 . 11456 1 715 . 1 1 59 59 LYS HE3 H 1 2.938 0.03 . 1 . . . A 55 LYS HE3 . 11456 1 716 . 1 1 59 59 LYS C C 13 179.835 0.3 . 1 . . . A 55 LYS C . 11456 1 717 . 1 1 59 59 LYS CA C 13 59.778 0.3 . 1 . . . A 55 LYS CA . 11456 1 718 . 1 1 59 59 LYS CB C 13 31.786 0.3 . 1 . . . A 55 LYS CB . 11456 1 719 . 1 1 59 59 LYS CG C 13 24.992 0.3 . 1 . . . A 55 LYS CG . 11456 1 720 . 1 1 59 59 LYS CD C 13 28.867 0.3 . 1 . . . A 55 LYS CD . 11456 1 721 . 1 1 59 59 LYS CE C 13 41.953 0.3 . 1 . . . A 55 LYS CE . 11456 1 722 . 1 1 59 59 LYS N N 15 119.93 0.3 . 1 . . . A 55 LYS N . 11456 1 723 . 1 1 60 60 ASP H H 1 8.57 0.03 . 1 . . . A 56 ASP H . 11456 1 724 . 1 1 60 60 ASP HA H 1 4.431 0.03 . 1 . . . A 56 ASP HA . 11456 1 725 . 1 1 60 60 ASP HB2 H 1 2.642 0.03 . 2 . . . A 56 ASP HB2 . 11456 1 726 . 1 1 60 60 ASP HB3 H 1 2.848 0.03 . 2 . . . A 56 ASP HB3 . 11456 1 727 . 1 1 60 60 ASP C C 13 178.311 0.3 . 1 . . . A 56 ASP C . 11456 1 728 . 1 1 60 60 ASP CA C 13 56.818 0.3 . 1 . . . A 56 ASP CA . 11456 1 729 . 1 1 60 60 ASP CB C 13 39.966 0.3 . 1 . . . A 56 ASP CB . 11456 1 730 . 1 1 60 60 ASP N N 15 120.799 0.3 . 1 . . . A 56 ASP N . 11456 1 731 . 1 1 61 61 ALA H H 1 7.793 0.03 . 1 . . . A 57 ALA H . 11456 1 732 . 1 1 61 61 ALA HA H 1 3.592 0.03 . 1 . . . A 57 ALA HA . 11456 1 733 . 1 1 61 61 ALA HB1 H 1 1.364 0.03 . 1 . . . A 57 ALA HB1 . 11456 1 734 . 1 1 61 61 ALA HB2 H 1 1.364 0.03 . 1 . . . A 57 ALA HB2 . 11456 1 735 . 1 1 61 61 ALA HB3 H 1 1.364 0.03 . 1 . . . A 57 ALA HB3 . 11456 1 736 . 1 1 61 61 ALA C C 13 179.079 0.3 . 1 . . . A 57 ALA C . 11456 1 737 . 1 1 61 61 ALA CA C 13 56.391 0.3 . 1 . . . A 57 ALA CA . 11456 1 738 . 1 1 61 61 ALA CB C 13 17.922 0.3 . 1 . . . A 57 ALA CB . 11456 1 739 . 1 1 61 61 ALA N N 15 122.377 0.3 . 1 . . . A 57 ALA N . 11456 1 740 . 1 1 62 62 GLN H H 1 7.559 0.03 . 1 . . . A 58 GLN H . 11456 1 741 . 1 1 62 62 GLN HA H 1 4.482 0.03 . 1 . . . A 58 GLN HA . 11456 1 742 . 1 1 62 62 GLN HB2 H 1 1.677 0.03 . 2 . . . A 58 GLN HB2 . 11456 1 743 . 1 1 62 62 GLN HB3 H 1 2.104 0.03 . 2 . . . A 58 GLN HB3 . 11456 1 744 . 1 1 62 62 GLN HG2 H 1 2.372 0.03 . 2 . . . A 58 GLN HG2 . 11456 1 745 . 1 1 62 62 GLN HG3 H 1 1.966 0.03 . 2 . . . A 58 GLN HG3 . 11456 1 746 . 1 1 62 62 GLN HE21 H 1 5.399 0.03 . 2 . . . A 58 GLN HE21 . 11456 1 747 . 1 1 62 62 GLN HE22 H 1 6.826 0.03 . 2 . . . A 58 GLN HE22 . 11456 1 748 . 1 1 62 62 GLN C C 13 178.323 0.3 . 1 . . . A 58 GLN C . 11456 1 749 . 1 1 62 62 GLN CA C 13 58.696 0.3 . 1 . . . A 58 GLN CA . 11456 1 750 . 1 1 62 62 GLN CB C 13 29.421 0.3 . 1 . . . A 58 GLN CB . 11456 1 751 . 1 1 62 62 GLN CG C 13 34.45 0.3 . 1 . . . A 58 GLN CG . 11456 1 752 . 1 1 62 62 GLN N N 15 115.435 0.3 . 1 . . . A 58 GLN N . 11456 1 753 . 1 1 62 62 GLN NE2 N 15 109.337 0.3 . 1 . . . A 58 GLN NE2 . 11456 1 754 . 1 1 63 63 SER H H 1 8.227 0.03 . 1 . . . A 59 SER H . 11456 1 755 . 1 1 63 63 SER HA H 1 4.023 0.03 . 1 . . . A 59 SER HA . 11456 1 756 . 1 1 63 63 SER HB2 H 1 3.943 0.03 . 1 . . . A 59 SER HB2 . 11456 1 757 . 1 1 63 63 SER HB3 H 1 3.943 0.03 . 1 . . . A 59 SER HB3 . 11456 1 758 . 1 1 63 63 SER C C 13 175.786 0.3 . 1 . . . A 59 SER C . 11456 1 759 . 1 1 63 63 SER CA C 13 62.397 0.3 . 1 . . . A 59 SER CA . 11456 1 760 . 1 1 63 63 SER CB C 13 62.397 0.3 . 1 . . . A 59 SER CB . 11456 1 761 . 1 1 63 63 SER N N 15 116.286 0.3 . 1 . . . A 59 SER N . 11456 1 762 . 1 1 64 64 ASN H H 1 8.745 0.03 . 1 . . . A 60 ASN H . 11456 1 763 . 1 1 64 64 ASN HA H 1 4.488 0.03 . 1 . . . A 60 ASN HA . 11456 1 764 . 1 1 64 64 ASN HB2 H 1 2.819 0.03 . 2 . . . A 60 ASN HB2 . 11456 1 765 . 1 1 64 64 ASN HB3 H 1 3.133 0.03 . 2 . . . A 60 ASN HB3 . 11456 1 766 . 1 1 64 64 ASN HD21 H 1 6.926 0.03 . 2 . . . A 60 ASN HD21 . 11456 1 767 . 1 1 64 64 ASN HD22 H 1 7.186 0.03 . 2 . . . A 60 ASN HD22 . 11456 1 768 . 1 1 64 64 ASN C C 13 177.968 0.3 . 1 . . . A 60 ASN C . 11456 1 769 . 1 1 64 64 ASN CA C 13 55.625 0.3 . 1 . . . A 60 ASN CA . 11456 1 770 . 1 1 64 64 ASN CB C 13 37.119 0.3 . 1 . . . A 60 ASN CB . 11456 1 771 . 1 1 64 64 ASN N N 15 120.668 0.3 . 1 . . . A 60 ASN N . 11456 1 772 . 1 1 64 64 ASN ND2 N 15 109.094 0.3 . 1 . . . A 60 ASN ND2 . 11456 1 773 . 1 1 65 65 ALA H H 1 8.009 0.03 . 1 . . . A 61 ALA H . 11456 1 774 . 1 1 65 65 ALA HA H 1 3.946 0.03 . 1 . . . A 61 ALA HA . 11456 1 775 . 1 1 65 65 ALA HB1 H 1 1.417 0.03 . 1 . . . A 61 ALA HB1 . 11456 1 776 . 1 1 65 65 ALA HB2 H 1 1.417 0.03 . 1 . . . A 61 ALA HB2 . 11456 1 777 . 1 1 65 65 ALA HB3 H 1 1.417 0.03 . 1 . . . A 61 ALA HB3 . 11456 1 778 . 1 1 65 65 ALA C C 13 178.843 0.3 . 1 . . . A 61 ALA C . 11456 1 779 . 1 1 65 65 ALA CA C 13 55.464 0.3 . 1 . . . A 61 ALA CA . 11456 1 780 . 1 1 65 65 ALA CB C 13 18.483 0.3 . 1 . . . A 61 ALA CB . 11456 1 781 . 1 1 65 65 ALA N N 15 125.716 0.3 . 1 . . . A 61 ALA N . 11456 1 782 . 1 1 66 66 ALA H H 1 8.463 0.03 . 1 . . . A 62 ALA H . 11456 1 783 . 1 1 66 66 ALA HA H 1 4.032 0.03 . 1 . . . A 62 ALA HA . 11456 1 784 . 1 1 66 66 ALA HB1 H 1 1.722 0.03 . 1 . . . A 62 ALA HB1 . 11456 1 785 . 1 1 66 66 ALA HB2 H 1 1.722 0.03 . 1 . . . A 62 ALA HB2 . 11456 1 786 . 1 1 66 66 ALA HB3 H 1 1.722 0.03 . 1 . . . A 62 ALA HB3 . 11456 1 787 . 1 1 66 66 ALA C C 13 179.185 0.3 . 1 . . . A 62 ALA C . 11456 1 788 . 1 1 66 66 ALA CA C 13 55.453 0.3 . 1 . . . A 62 ALA CA . 11456 1 789 . 1 1 66 66 ALA CB C 13 18.11 0.3 . 1 . . . A 62 ALA CB . 11456 1 790 . 1 1 66 66 ALA N N 15 120.155 0.3 . 1 . . . A 62 ALA N . 11456 1 791 . 1 1 67 67 ARG H H 1 8.634 0.03 . 1 . . . A 63 ARG H . 11456 1 792 . 1 1 67 67 ARG HA H 1 3.75 0.03 . 1 . . . A 63 ARG HA . 11456 1 793 . 1 1 67 67 ARG HB2 H 1 2.017 0.03 . 2 . . . A 63 ARG HB2 . 11456 1 794 . 1 1 67 67 ARG HB3 H 1 2.109 0.03 . 2 . . . A 63 ARG HB3 . 11456 1 795 . 1 1 67 67 ARG HG2 H 1 1.744 0.03 . 2 . . . A 63 ARG HG2 . 11456 1 796 . 1 1 67 67 ARG HG3 H 1 1.607 0.03 . 2 . . . A 63 ARG HG3 . 11456 1 797 . 1 1 67 67 ARG HD2 H 1 3.21 0.03 . 2 . . . A 63 ARG HD2 . 11456 1 798 . 1 1 67 67 ARG HD3 H 1 3.312 0.03 . 2 . . . A 63 ARG HD3 . 11456 1 799 . 1 1 67 67 ARG HE H 1 7.473 0.03 . 1 . . . A 63 ARG HE . 11456 1 800 . 1 1 67 67 ARG C C 13 177.358 0.3 . 1 . . . A 63 ARG C . 11456 1 801 . 1 1 67 67 ARG CA C 13 59.598 0.3 . 1 . . . A 63 ARG CA . 11456 1 802 . 1 1 67 67 ARG CB C 13 29.575 0.3 . 1 . . . A 63 ARG CB . 11456 1 803 . 1 1 67 67 ARG CG C 13 26.906 0.3 . 1 . . . A 63 ARG CG . 11456 1 804 . 1 1 67 67 ARG CD C 13 42.713 0.3 . 1 . . . A 63 ARG CD . 11456 1 805 . 1 1 67 67 ARG N N 15 118.021 0.3 . 1 . . . A 63 ARG N . 11456 1 806 . 1 1 67 67 ARG NE N 15 83.234 0.3 . 1 . . . A 63 ARG NE . 11456 1 807 . 1 1 68 68 ASP H H 1 7.994 0.03 . 1 . . . A 64 ASP H . 11456 1 808 . 1 1 68 68 ASP HA H 1 4.566 0.03 . 1 . . . A 64 ASP HA . 11456 1 809 . 1 1 68 68 ASP HB2 H 1 3.036 0.03 . 2 . . . A 64 ASP HB2 . 11456 1 810 . 1 1 68 68 ASP HB3 H 1 3.104 0.03 . 2 . . . A 64 ASP HB3 . 11456 1 811 . 1 1 68 68 ASP C C 13 178.705 0.3 . 1 . . . A 64 ASP C . 11456 1 812 . 1 1 68 68 ASP CA C 13 57.898 0.3 . 1 . . . A 64 ASP CA . 11456 1 813 . 1 1 68 68 ASP CB C 13 43.072 0.3 . 1 . . . A 64 ASP CB . 11456 1 814 . 1 1 68 68 ASP N N 15 119.243 0.3 . 1 . . . A 64 ASP N . 11456 1 815 . 1 1 69 69 PHE H H 1 8.565 0.03 . 1 . . . A 65 PHE H . 11456 1 816 . 1 1 69 69 PHE HA H 1 4.032 0.03 . 1 . . . A 65 PHE HA . 11456 1 817 . 1 1 69 69 PHE HB2 H 1 2.906 0.03 . 2 . . . A 65 PHE HB2 . 11456 1 818 . 1 1 69 69 PHE HB3 H 1 3.132 0.03 . 2 . . . A 65 PHE HB3 . 11456 1 819 . 1 1 69 69 PHE HD1 H 1 6.933 0.03 . 1 . . . A 65 PHE HD1 . 11456 1 820 . 1 1 69 69 PHE HD2 H 1 6.933 0.03 . 1 . . . A 65 PHE HD2 . 11456 1 821 . 1 1 69 69 PHE HE1 H 1 7.185 0.03 . 1 . . . A 65 PHE HE1 . 11456 1 822 . 1 1 69 69 PHE HE2 H 1 7.185 0.03 . 1 . . . A 65 PHE HE2 . 11456 1 823 . 1 1 69 69 PHE HZ H 1 6.945 0.03 . 1 . . . A 65 PHE HZ . 11456 1 824 . 1 1 69 69 PHE C C 13 177.115 0.3 . 1 . . . A 65 PHE C . 11456 1 825 . 1 1 69 69 PHE CA C 13 63.17 0.3 . 1 . . . A 65 PHE CA . 11456 1 826 . 1 1 69 69 PHE CB C 13 40.505 0.3 . 1 . . . A 65 PHE CB . 11456 1 827 . 1 1 69 69 PHE CD1 C 13 131.261 0.3 . 1 . . . A 65 PHE CD1 . 11456 1 828 . 1 1 69 69 PHE CD2 C 13 131.261 0.3 . 1 . . . A 65 PHE CD2 . 11456 1 829 . 1 1 69 69 PHE CE1 C 13 131.26 0.3 . 1 . . . A 65 PHE CE1 . 11456 1 830 . 1 1 69 69 PHE CE2 C 13 131.26 0.3 . 1 . . . A 65 PHE CE2 . 11456 1 831 . 1 1 69 69 PHE CZ C 13 129.283 0.3 . 1 . . . A 65 PHE CZ . 11456 1 832 . 1 1 69 69 PHE N N 15 120.364 0.3 . 1 . . . A 65 PHE N . 11456 1 833 . 1 1 70 70 VAL H H 1 8.945 0.03 . 1 . . . A 66 VAL H . 11456 1 834 . 1 1 70 70 VAL HA H 1 3.276 0.03 . 1 . . . A 66 VAL HA . 11456 1 835 . 1 1 70 70 VAL HB H 1 2.148 0.03 . 1 . . . A 66 VAL HB . 11456 1 836 . 1 1 70 70 VAL HG11 H 1 0.796 0.03 . 1 . . . A 66 VAL HG11 . 11456 1 837 . 1 1 70 70 VAL HG12 H 1 0.796 0.03 . 1 . . . A 66 VAL HG12 . 11456 1 838 . 1 1 70 70 VAL HG13 H 1 0.796 0.03 . 1 . . . A 66 VAL HG13 . 11456 1 839 . 1 1 70 70 VAL HG21 H 1 1.191 0.03 . 1 . . . A 66 VAL HG21 . 11456 1 840 . 1 1 70 70 VAL HG22 H 1 1.191 0.03 . 1 . . . A 66 VAL HG22 . 11456 1 841 . 1 1 70 70 VAL HG23 H 1 1.191 0.03 . 1 . . . A 66 VAL HG23 . 11456 1 842 . 1 1 70 70 VAL C C 13 176.692 0.3 . 1 . . . A 66 VAL C . 11456 1 843 . 1 1 70 70 VAL CA C 13 67.192 0.3 . 1 . . . A 66 VAL CA . 11456 1 844 . 1 1 70 70 VAL CB C 13 31.039 0.3 . 1 . . . A 66 VAL CB . 11456 1 845 . 1 1 70 70 VAL CG1 C 13 23.16 0.3 . 2 . . . A 66 VAL CG1 . 11456 1 846 . 1 1 70 70 VAL CG2 C 13 24.914 0.3 . 2 . . . A 66 VAL CG2 . 11456 1 847 . 1 1 70 70 VAL N N 15 119.629 0.3 . 1 . . . A 66 VAL N . 11456 1 848 . 1 1 71 71 ASN H H 1 8.621 0.03 . 1 . . . A 67 ASN H . 11456 1 849 . 1 1 71 71 ASN HA H 1 4.275 0.03 . 1 . . . A 67 ASN HA . 11456 1 850 . 1 1 71 71 ASN HB2 H 1 2.679 0.03 . 2 . . . A 67 ASN HB2 . 11456 1 851 . 1 1 71 71 ASN HB3 H 1 3.067 0.03 . 2 . . . A 67 ASN HB3 . 11456 1 852 . 1 1 71 71 ASN HD21 H 1 6.758 0.03 . 2 . . . A 67 ASN HD21 . 11456 1 853 . 1 1 71 71 ASN HD22 H 1 7.757 0.03 . 2 . . . A 67 ASN HD22 . 11456 1 854 . 1 1 71 71 ASN C C 13 178.7 0.3 . 1 . . . A 67 ASN C . 11456 1 855 . 1 1 71 71 ASN CA C 13 55.947 0.3 . 1 . . . A 67 ASN CA . 11456 1 856 . 1 1 71 71 ASN CB C 13 37.203 0.3 . 1 . . . A 67 ASN CB . 11456 1 857 . 1 1 71 71 ASN N N 15 118.453 0.3 . 1 . . . A 67 ASN N . 11456 1 858 . 1 1 71 71 ASN ND2 N 15 110.809 0.3 . 1 . . . A 67 ASN ND2 . 11456 1 859 . 1 1 72 72 TYR H H 1 7.369 0.03 . 1 . . . A 68 TYR H . 11456 1 860 . 1 1 72 72 TYR HA H 1 3.783 0.03 . 1 . . . A 68 TYR HA . 11456 1 861 . 1 1 72 72 TYR HB2 H 1 2.147 0.03 . 2 . . . A 68 TYR HB2 . 11456 1 862 . 1 1 72 72 TYR HB3 H 1 2.754 0.03 . 2 . . . A 68 TYR HB3 . 11456 1 863 . 1 1 72 72 TYR HD1 H 1 6.05 0.03 . 1 . . . A 68 TYR HD1 . 11456 1 864 . 1 1 72 72 TYR HD2 H 1 6.05 0.03 . 1 . . . A 68 TYR HD2 . 11456 1 865 . 1 1 72 72 TYR HE1 H 1 6.459 0.03 . 1 . . . A 68 TYR HE1 . 11456 1 866 . 1 1 72 72 TYR HE2 H 1 6.459 0.03 . 1 . . . A 68 TYR HE2 . 11456 1 867 . 1 1 72 72 TYR C C 13 175.175 0.3 . 1 . . . A 68 TYR C . 11456 1 868 . 1 1 72 72 TYR CA C 13 60.94 0.3 . 1 . . . A 68 TYR CA . 11456 1 869 . 1 1 72 72 TYR CB C 13 36.754 0.3 . 1 . . . A 68 TYR CB . 11456 1 870 . 1 1 72 72 TYR CD1 C 13 132.989 0.3 . 1 . . . A 68 TYR CD1 . 11456 1 871 . 1 1 72 72 TYR CD2 C 13 132.989 0.3 . 1 . . . A 68 TYR CD2 . 11456 1 872 . 1 1 72 72 TYR CE1 C 13 117.758 0.3 . 1 . . . A 68 TYR CE1 . 11456 1 873 . 1 1 72 72 TYR CE2 C 13 117.758 0.3 . 1 . . . A 68 TYR CE2 . 11456 1 874 . 1 1 72 72 TYR N N 15 124.128 0.3 . 1 . . . A 68 TYR N . 11456 1 875 . 1 1 73 73 LEU H H 1 7.516 0.03 . 1 . . . A 69 LEU H . 11456 1 876 . 1 1 73 73 LEU HA H 1 3.26 0.03 . 1 . . . A 69 LEU HA . 11456 1 877 . 1 1 73 73 LEU HB2 H 1 0.56 0.03 . 2 . . . A 69 LEU HB2 . 11456 1 878 . 1 1 73 73 LEU HB3 H 1 1.726 0.03 . 2 . . . A 69 LEU HB3 . 11456 1 879 . 1 1 73 73 LEU HG H 1 1.066 0.03 . 1 . . . A 69 LEU HG . 11456 1 880 . 1 1 73 73 LEU HD11 H 1 -0.163 0.03 . 1 . . . A 69 LEU HD11 . 11456 1 881 . 1 1 73 73 LEU HD12 H 1 -0.163 0.03 . 1 . . . A 69 LEU HD12 . 11456 1 882 . 1 1 73 73 LEU HD13 H 1 -0.163 0.03 . 1 . . . A 69 LEU HD13 . 11456 1 883 . 1 1 73 73 LEU HD21 H 1 -0.413 0.03 . 1 . . . A 69 LEU HD21 . 11456 1 884 . 1 1 73 73 LEU HD22 H 1 -0.413 0.03 . 1 . . . A 69 LEU HD22 . 11456 1 885 . 1 1 73 73 LEU HD23 H 1 -0.413 0.03 . 1 . . . A 69 LEU HD23 . 11456 1 886 . 1 1 73 73 LEU C C 13 180.078 0.3 . 1 . . . A 69 LEU C . 11456 1 887 . 1 1 73 73 LEU CA C 13 56.888 0.3 . 1 . . . A 69 LEU CA . 11456 1 888 . 1 1 73 73 LEU CB C 13 41.368 0.3 . 1 . . . A 69 LEU CB . 11456 1 889 . 1 1 73 73 LEU CG C 13 24.919 0.3 . 1 . . . A 69 LEU CG . 11456 1 890 . 1 1 73 73 LEU CD1 C 13 21.141 0.3 . 2 . . . A 69 LEU CD1 . 11456 1 891 . 1 1 73 73 LEU CD2 C 13 24.04 0.3 . 2 . . . A 69 LEU CD2 . 11456 1 892 . 1 1 73 73 LEU N N 15 118.431 0.3 . 1 . . . A 69 LEU N . 11456 1 893 . 1 1 74 74 VAL H H 1 8.099 0.03 . 1 . . . A 70 VAL H . 11456 1 894 . 1 1 74 74 VAL HA H 1 4.178 0.03 . 1 . . . A 70 VAL HA . 11456 1 895 . 1 1 74 74 VAL HB H 1 2.058 0.03 . 1 . . . A 70 VAL HB . 11456 1 896 . 1 1 74 74 VAL HG11 H 1 0.829 0.03 . 1 . . . A 70 VAL HG11 . 11456 1 897 . 1 1 74 74 VAL HG12 H 1 0.829 0.03 . 1 . . . A 70 VAL HG12 . 11456 1 898 . 1 1 74 74 VAL HG13 H 1 0.829 0.03 . 1 . . . A 70 VAL HG13 . 11456 1 899 . 1 1 74 74 VAL HG21 H 1 0.705 0.03 . 1 . . . A 70 VAL HG21 . 11456 1 900 . 1 1 74 74 VAL HG22 H 1 0.705 0.03 . 1 . . . A 70 VAL HG22 . 11456 1 901 . 1 1 74 74 VAL HG23 H 1 0.705 0.03 . 1 . . . A 70 VAL HG23 . 11456 1 902 . 1 1 74 74 VAL C C 13 180.55 0.3 . 1 . . . A 70 VAL C . 11456 1 903 . 1 1 74 74 VAL CA C 13 64.708 0.3 . 1 . . . A 70 VAL CA . 11456 1 904 . 1 1 74 74 VAL CB C 13 31.706 0.3 . 1 . . . A 70 VAL CB . 11456 1 905 . 1 1 74 74 VAL CG1 C 13 21.337 0.3 . 2 . . . A 70 VAL CG1 . 11456 1 906 . 1 1 74 74 VAL CG2 C 13 22.415 0.3 . 2 . . . A 70 VAL CG2 . 11456 1 907 . 1 1 74 74 VAL N N 15 120.122 0.3 . 1 . . . A 70 VAL N . 11456 1 908 . 1 1 75 75 ARG H H 1 7.728 0.03 . 1 . . . A 71 ARG H . 11456 1 909 . 1 1 75 75 ARG HA H 1 3.98 0.03 . 1 . . . A 71 ARG HA . 11456 1 910 . 1 1 75 75 ARG HB2 H 1 1.802 0.03 . 2 . . . A 71 ARG HB2 . 11456 1 911 . 1 1 75 75 ARG HB3 H 1 1.946 0.03 . 2 . . . A 71 ARG HB3 . 11456 1 912 . 1 1 75 75 ARG HG2 H 1 1.48 0.03 . 2 . . . A 71 ARG HG2 . 11456 1 913 . 1 1 75 75 ARG HG3 H 1 1.791 0.03 . 2 . . . A 71 ARG HG3 . 11456 1 914 . 1 1 75 75 ARG HD2 H 1 3.151 0.03 . 2 . . . A 71 ARG HD2 . 11456 1 915 . 1 1 75 75 ARG HD3 H 1 3.248 0.03 . 2 . . . A 71 ARG HD3 . 11456 1 916 . 1 1 75 75 ARG HE H 1 7.23 0.03 . 1 . . . A 71 ARG HE . 11456 1 917 . 1 1 75 75 ARG C C 13 178.794 0.3 . 1 . . . A 71 ARG C . 11456 1 918 . 1 1 75 75 ARG CA C 13 59.949 0.3 . 1 . . . A 71 ARG CA . 11456 1 919 . 1 1 75 75 ARG CB C 13 30.139 0.3 . 1 . . . A 71 ARG CB . 11456 1 920 . 1 1 75 75 ARG CG C 13 27.804 0.3 . 1 . . . A 71 ARG CG . 11456 1 921 . 1 1 75 75 ARG CD C 13 43.971 0.3 . 1 . . . A 71 ARG CD . 11456 1 922 . 1 1 75 75 ARG N N 15 123.175 0.3 . 1 . . . A 71 ARG N . 11456 1 923 . 1 1 75 75 ARG NE N 15 83.27 0.3 . 1 . . . A 71 ARG NE . 11456 1 924 . 1 1 76 76 ILE H H 1 7.459 0.03 . 1 . . . A 72 ILE H . 11456 1 925 . 1 1 76 76 ILE HA H 1 4.394 0.03 . 1 . . . A 72 ILE HA . 11456 1 926 . 1 1 76 76 ILE HB H 1 2.118 0.03 . 1 . . . A 72 ILE HB . 11456 1 927 . 1 1 76 76 ILE HG12 H 1 0.869 0.03 . 2 . . . A 72 ILE HG12 . 11456 1 928 . 1 1 76 76 ILE HG13 H 1 0.775 0.03 . 2 . . . A 72 ILE HG13 . 11456 1 929 . 1 1 76 76 ILE HG21 H 1 0.52 0.03 . 1 . . . A 72 ILE HG21 . 11456 1 930 . 1 1 76 76 ILE HG22 H 1 0.52 0.03 . 1 . . . A 72 ILE HG22 . 11456 1 931 . 1 1 76 76 ILE HG23 H 1 0.52 0.03 . 1 . . . A 72 ILE HG23 . 11456 1 932 . 1 1 76 76 ILE HD11 H 1 0.783 0.03 . 1 . . . A 72 ILE HD11 . 11456 1 933 . 1 1 76 76 ILE HD12 H 1 0.783 0.03 . 1 . . . A 72 ILE HD12 . 11456 1 934 . 1 1 76 76 ILE HD13 H 1 0.783 0.03 . 1 . . . A 72 ILE HD13 . 11456 1 935 . 1 1 76 76 ILE C C 13 175.424 0.3 . 1 . . . A 72 ILE C . 11456 1 936 . 1 1 76 76 ILE CA C 13 61.574 0.3 . 1 . . . A 72 ILE CA . 11456 1 937 . 1 1 76 76 ILE CB C 13 37.017 0.3 . 1 . . . A 72 ILE CB . 11456 1 938 . 1 1 76 76 ILE CG1 C 13 26.526 0.3 . 1 . . . A 72 ILE CG1 . 11456 1 939 . 1 1 76 76 ILE CG2 C 13 17.218 0.3 . 1 . . . A 72 ILE CG2 . 11456 1 940 . 1 1 76 76 ILE CD1 C 13 15.59 0.3 . 1 . . . A 72 ILE CD1 . 11456 1 941 . 1 1 76 76 ILE N N 15 109.201 0.3 . 1 . . . A 72 ILE N . 11456 1 942 . 1 1 77 77 ASN H H 1 7.841 0.03 . 1 . . . A 73 ASN H . 11456 1 943 . 1 1 77 77 ASN HA H 1 4.419 0.03 . 1 . . . A 73 ASN HA . 11456 1 944 . 1 1 77 77 ASN HB2 H 1 2.891 0.03 . 2 . . . A 73 ASN HB2 . 11456 1 945 . 1 1 77 77 ASN HB3 H 1 3.093 0.03 . 2 . . . A 73 ASN HB3 . 11456 1 946 . 1 1 77 77 ASN HD21 H 1 6.756 0.03 . 2 . . . A 73 ASN HD21 . 11456 1 947 . 1 1 77 77 ASN HD22 H 1 7.464 0.03 . 2 . . . A 73 ASN HD22 . 11456 1 948 . 1 1 77 77 ASN C C 13 175.031 0.3 . 1 . . . A 73 ASN C . 11456 1 949 . 1 1 77 77 ASN CA C 13 55.086 0.3 . 1 . . . A 73 ASN CA . 11456 1 950 . 1 1 77 77 ASN CB C 13 36.941 0.3 . 1 . . . A 73 ASN CB . 11456 1 951 . 1 1 77 77 ASN N N 15 115.627 0.3 . 1 . . . A 73 ASN N . 11456 1 952 . 1 1 77 77 ASN ND2 N 15 112.319 0.3 . 1 . . . A 73 ASN ND2 . 11456 1 953 . 1 1 78 78 GLU H H 1 8.44 0.03 . 1 . . . A 74 GLU H . 11456 1 954 . 1 1 78 78 GLU HA H 1 4.45 0.03 . 1 . . . A 74 GLU HA . 11456 1 955 . 1 1 78 78 GLU HB2 H 1 1.635 0.03 . 2 . . . A 74 GLU HB2 . 11456 1 956 . 1 1 78 78 GLU HB3 H 1 2.466 0.03 . 2 . . . A 74 GLU HB3 . 11456 1 957 . 1 1 78 78 GLU HG2 H 1 2.271 0.03 . 2 . . . A 74 GLU HG2 . 11456 1 958 . 1 1 78 78 GLU HG3 H 1 2.445 0.03 . 2 . . . A 74 GLU HG3 . 11456 1 959 . 1 1 78 78 GLU CA C 13 57.622 0.3 . 1 . . . A 74 GLU CA . 11456 1 960 . 1 1 78 78 GLU CB C 13 31.397 0.3 . 1 . . . A 74 GLU CB . 11456 1 961 . 1 1 78 78 GLU CG C 13 35.497 0.3 . 1 . . . A 74 GLU CG . 11456 1 962 . 1 1 78 78 GLU N N 15 116.936 0.3 . 1 . . . A 74 GLU N . 11456 1 963 . 1 1 79 79 VAL H H 1 6.865 0.03 . 1 . . . A 75 VAL H . 11456 1 964 . 1 1 79 79 VAL HA H 1 4.199 0.03 . 1 . . . A 75 VAL HA . 11456 1 965 . 1 1 79 79 VAL HB H 1 1.28 0.03 . 1 . . . A 75 VAL HB . 11456 1 966 . 1 1 79 79 VAL HG11 H 1 0.399 0.03 . 1 . . . A 75 VAL HG11 . 11456 1 967 . 1 1 79 79 VAL HG12 H 1 0.399 0.03 . 1 . . . A 75 VAL HG12 . 11456 1 968 . 1 1 79 79 VAL HG13 H 1 0.399 0.03 . 1 . . . A 75 VAL HG13 . 11456 1 969 . 1 1 79 79 VAL HG21 H 1 0.676 0.03 . 1 . . . A 75 VAL HG21 . 11456 1 970 . 1 1 79 79 VAL HG22 H 1 0.676 0.03 . 1 . . . A 75 VAL HG22 . 11456 1 971 . 1 1 79 79 VAL HG23 H 1 0.676 0.03 . 1 . . . A 75 VAL HG23 . 11456 1 972 . 1 1 79 79 VAL C C 13 174.357 0.3 . 1 . . . A 75 VAL C . 11456 1 973 . 1 1 79 79 VAL CA C 13 59.918 0.3 . 1 . . . A 75 VAL CA . 11456 1 974 . 1 1 79 79 VAL CB C 13 35.671 0.3 . 1 . . . A 75 VAL CB . 11456 1 975 . 1 1 79 79 VAL CG1 C 13 23.015 0.3 . 2 . . . A 75 VAL CG1 . 11456 1 976 . 1 1 79 79 VAL CG2 C 13 22.268 0.3 . 2 . . . A 75 VAL CG2 . 11456 1 977 . 1 1 79 79 VAL N N 15 117.858 0.3 . 1 . . . A 75 VAL N . 11456 1 978 . 1 1 80 80 LYS H H 1 8.893 0.03 . 1 . . . A 76 LYS H . 11456 1 979 . 1 1 80 80 LYS HA H 1 4.42 0.03 . 1 . . . A 76 LYS HA . 11456 1 980 . 1 1 80 80 LYS HB2 H 1 1.68 0.03 . 2 . . . A 76 LYS HB2 . 11456 1 981 . 1 1 80 80 LYS HB3 H 1 2.063 0.03 . 2 . . . A 76 LYS HB3 . 11456 1 982 . 1 1 80 80 LYS HG2 H 1 1.458 0.03 . 2 . . . A 76 LYS HG2 . 11456 1 983 . 1 1 80 80 LYS HG3 H 1 1.554 0.03 . 2 . . . A 76 LYS HG3 . 11456 1 984 . 1 1 80 80 LYS HE2 H 1 2.995 0.03 . 1 . . . A 76 LYS HE2 . 11456 1 985 . 1 1 80 80 LYS HE3 H 1 2.995 0.03 . 1 . . . A 76 LYS HE3 . 11456 1 986 . 1 1 80 80 LYS C C 13 178.015 0.3 . 1 . . . A 76 LYS C . 11456 1 987 . 1 1 80 80 LYS CA C 13 55.287 0.3 . 1 . . . A 76 LYS CA . 11456 1 988 . 1 1 80 80 LYS CB C 13 32.862 0.3 . 1 . . . A 76 LYS CB . 11456 1 989 . 1 1 80 80 LYS CG C 13 24.868 0.3 . 1 . . . A 76 LYS CG . 11456 1 990 . 1 1 80 80 LYS CD C 13 28.621 0.3 . 1 . . . A 76 LYS CD . 11456 1 991 . 1 1 80 80 LYS CE C 13 42.077 0.3 . 1 . . . A 76 LYS CE . 11456 1 992 . 1 1 80 80 LYS N N 15 125.519 0.3 . 1 . . . A 76 LYS N . 11456 1 993 . 1 1 81 81 SER H H 1 9.129 0.03 . 1 . . . A 77 SER H . 11456 1 994 . 1 1 81 81 SER HA H 1 3.854 0.03 . 1 . . . A 77 SER HA . 11456 1 995 . 1 1 81 81 SER HB2 H 1 3.822 0.03 . 2 . . . A 77 SER HB2 . 11456 1 996 . 1 1 81 81 SER HB3 H 1 3.796 0.03 . 2 . . . A 77 SER HB3 . 11456 1 997 . 1 1 81 81 SER C C 13 177.136 0.3 . 1 . . . A 77 SER C . 11456 1 998 . 1 1 81 81 SER CA C 13 62.486 0.3 . 1 . . . A 77 SER CA . 11456 1 999 . 1 1 81 81 SER CB C 13 62.486 0.3 . 1 . . . A 77 SER CB . 11456 1 1000 . 1 1 81 81 SER N N 15 119.727 0.3 . 1 . . . A 77 SER N . 11456 1 1001 . 1 1 82 82 GLU H H 1 9.26 0.03 . 1 . . . A 78 GLU H . 11456 1 1002 . 1 1 82 82 GLU HA H 1 4.138 0.03 . 1 . . . A 78 GLU HA . 11456 1 1003 . 1 1 82 82 GLU HB2 H 1 2.027 0.03 . 1 . . . A 78 GLU HB2 . 11456 1 1004 . 1 1 82 82 GLU HB3 H 1 2.027 0.03 . 1 . . . A 78 GLU HB3 . 11456 1 1005 . 1 1 82 82 GLU HG2 H 1 2.245 0.03 . 1 . . . A 78 GLU HG2 . 11456 1 1006 . 1 1 82 82 GLU HG3 H 1 2.245 0.03 . 1 . . . A 78 GLU HG3 . 11456 1 1007 . 1 1 82 82 GLU C C 13 177.074 0.3 . 1 . . . A 78 GLU C . 11456 1 1008 . 1 1 82 82 GLU CA C 13 58.48 0.3 . 1 . . . A 78 GLU CA . 11456 1 1009 . 1 1 82 82 GLU CB C 13 28.702 0.3 . 1 . . . A 78 GLU CB . 11456 1 1010 . 1 1 82 82 GLU CG C 13 36.067 0.3 . 1 . . . A 78 GLU CG . 11456 1 1011 . 1 1 82 82 GLU N N 15 117.889 0.3 . 1 . . . A 78 GLU N . 11456 1 1012 . 1 1 83 83 GLU H H 1 7.829 0.03 . 1 . . . A 79 GLU H . 11456 1 1013 . 1 1 83 83 GLU HA H 1 4.211 0.03 . 1 . . . A 79 GLU HA . 11456 1 1014 . 1 1 83 83 GLU HB2 H 1 2.201 0.03 . 2 . . . A 79 GLU HB2 . 11456 1 1015 . 1 1 83 83 GLU HB3 H 1 2.269 0.03 . 2 . . . A 79 GLU HB3 . 11456 1 1016 . 1 1 83 83 GLU HG2 H 1 2.467 0.03 . 2 . . . A 79 GLU HG2 . 11456 1 1017 . 1 1 83 83 GLU HG3 H 1 2.255 0.03 . 2 . . . A 79 GLU HG3 . 11456 1 1018 . 1 1 83 83 GLU C C 13 175.726 0.3 . 1 . . . A 79 GLU C . 11456 1 1019 . 1 1 83 83 GLU CA C 13 56.562 0.3 . 1 . . . A 79 GLU CA . 11456 1 1020 . 1 1 83 83 GLU CB C 13 30.907 0.3 . 1 . . . A 79 GLU CB . 11456 1 1021 . 1 1 83 83 GLU CG C 13 37.529 0.3 . 1 . . . A 79 GLU CG . 11456 1 1022 . 1 1 83 83 GLU N N 15 118.065 0.3 . 1 . . . A 79 GLU N . 11456 1 1023 . 1 1 84 84 VAL H H 1 6.96 0.03 . 1 . . . A 80 VAL H . 11456 1 1024 . 1 1 84 84 VAL HA H 1 3.138 0.03 . 1 . . . A 80 VAL HA . 11456 1 1025 . 1 1 84 84 VAL HB H 1 1.809 0.03 . 1 . . . A 80 VAL HB . 11456 1 1026 . 1 1 84 84 VAL HG11 H 1 0.515 0.03 . 1 . . . A 80 VAL HG11 . 11456 1 1027 . 1 1 84 84 VAL HG12 H 1 0.515 0.03 . 1 . . . A 80 VAL HG12 . 11456 1 1028 . 1 1 84 84 VAL HG13 H 1 0.515 0.03 . 1 . . . A 80 VAL HG13 . 11456 1 1029 . 1 1 84 84 VAL HG21 H 1 0.56 0.03 . 1 . . . A 80 VAL HG21 . 11456 1 1030 . 1 1 84 84 VAL HG22 H 1 0.56 0.03 . 1 . . . A 80 VAL HG22 . 11456 1 1031 . 1 1 84 84 VAL HG23 H 1 0.56 0.03 . 1 . . . A 80 VAL HG23 . 11456 1 1032 . 1 1 84 84 VAL C C 13 174.347 0.3 . 1 . . . A 80 VAL C . 11456 1 1033 . 1 1 84 84 VAL CA C 13 60.366 0.3 . 1 . . . A 80 VAL CA . 11456 1 1034 . 1 1 84 84 VAL CB C 13 32.502 0.3 . 1 . . . A 80 VAL CB . 11456 1 1035 . 1 1 84 84 VAL CG1 C 13 22.056 0.3 . 2 . . . A 80 VAL CG1 . 11456 1 1036 . 1 1 84 84 VAL CG2 C 13 20.904 0.3 . 2 . . . A 80 VAL CG2 . 11456 1 1037 . 1 1 84 84 VAL N N 15 119.655 0.3 . 1 . . . A 80 VAL N . 11456 1 1038 . 1 1 85 85 PRO HA H 1 4.266 0.03 . 1 . . . A 81 PRO HA . 11456 1 1039 . 1 1 85 85 PRO HB2 H 1 2.272 0.03 . 2 . . . A 81 PRO HB2 . 11456 1 1040 . 1 1 85 85 PRO HB3 H 1 1.768 0.03 . 2 . . . A 81 PRO HB3 . 11456 1 1041 . 1 1 85 85 PRO HG2 H 1 1.879 0.03 . 2 . . . A 81 PRO HG2 . 11456 1 1042 . 1 1 85 85 PRO HG3 H 1 1.777 0.03 . 2 . . . A 81 PRO HG3 . 11456 1 1043 . 1 1 85 85 PRO HD2 H 1 2.862 0.03 . 2 . . . A 81 PRO HD2 . 11456 1 1044 . 1 1 85 85 PRO HD3 H 1 3.276 0.03 . 2 . . . A 81 PRO HD3 . 11456 1 1045 . 1 1 85 85 PRO C C 13 176.12 0.3 . 1 . . . A 81 PRO C . 11456 1 1046 . 1 1 85 85 PRO CA C 13 63.17 0.3 . 1 . . . A 81 PRO CA . 11456 1 1047 . 1 1 85 85 PRO CB C 13 31.911 0.3 . 1 . . . A 81 PRO CB . 11456 1 1048 . 1 1 85 85 PRO CG C 13 27.625 0.3 . 1 . . . A 81 PRO CG . 11456 1 1049 . 1 1 85 85 PRO CD C 13 50.361 0.3 . 1 . . . A 81 PRO CD . 11456 1 1050 . 1 1 86 86 ALA H H 1 8.395 0.03 . 1 . . . A 82 ALA H . 11456 1 1051 . 1 1 86 86 ALA HA H 1 4.268 0.03 . 1 . . . A 82 ALA HA . 11456 1 1052 . 1 1 86 86 ALA HB1 H 1 1.354 0.03 . 1 . . . A 82 ALA HB1 . 11456 1 1053 . 1 1 86 86 ALA HB2 H 1 1.354 0.03 . 1 . . . A 82 ALA HB2 . 11456 1 1054 . 1 1 86 86 ALA HB3 H 1 1.354 0.03 . 1 . . . A 82 ALA HB3 . 11456 1 1055 . 1 1 86 86 ALA C C 13 177.868 0.3 . 1 . . . A 82 ALA C . 11456 1 1056 . 1 1 86 86 ALA CA C 13 51.987 0.3 . 1 . . . A 82 ALA CA . 11456 1 1057 . 1 1 86 86 ALA CB C 13 19.542 0.3 . 1 . . . A 82 ALA CB . 11456 1 1058 . 1 1 86 86 ALA N N 15 126.252 0.3 . 1 . . . A 82 ALA N . 11456 1 1059 . 1 1 87 87 VAL H H 1 8.204 0.03 . 1 . . . A 83 VAL H . 11456 1 1060 . 1 1 87 87 VAL HA H 1 3.992 0.03 . 1 . . . A 83 VAL HA . 11456 1 1061 . 1 1 87 87 VAL HB H 1 2.033 0.03 . 1 . . . A 83 VAL HB . 11456 1 1062 . 1 1 87 87 VAL HG11 H 1 0.945 0.03 . 1 . . . A 83 VAL HG11 . 11456 1 1063 . 1 1 87 87 VAL HG12 H 1 0.945 0.03 . 1 . . . A 83 VAL HG12 . 11456 1 1064 . 1 1 87 87 VAL HG13 H 1 0.945 0.03 . 1 . . . A 83 VAL HG13 . 11456 1 1065 . 1 1 87 87 VAL HG21 H 1 0.945 0.03 . 1 . . . A 83 VAL HG21 . 11456 1 1066 . 1 1 87 87 VAL HG22 H 1 0.945 0.03 . 1 . . . A 83 VAL HG22 . 11456 1 1067 . 1 1 87 87 VAL HG23 H 1 0.945 0.03 . 1 . . . A 83 VAL HG23 . 11456 1 1068 . 1 1 87 87 VAL C C 13 176.73 0.3 . 1 . . . A 83 VAL C . 11456 1 1069 . 1 1 87 87 VAL CA C 13 63.011 0.3 . 1 . . . A 83 VAL CA . 11456 1 1070 . 1 1 87 87 VAL CB C 13 32.839 0.3 . 1 . . . A 83 VAL CB . 11456 1 1071 . 1 1 87 87 VAL CG1 C 13 20.952 0.3 . 1 . . . A 83 VAL CG1 . 11456 1 1072 . 1 1 87 87 VAL CG2 C 13 20.952 0.3 . 1 . . . A 83 VAL CG2 . 11456 1 1073 . 1 1 87 87 VAL N N 15 119.54 0.3 . 1 . . . A 83 VAL N . 11456 1 1074 . 1 1 88 88 GLY H H 1 8.365 0.03 . 1 . . . A 84 GLY H . 11456 1 1075 . 1 1 88 88 GLY HA2 H 1 3.956 0.03 . 2 . . . A 84 GLY HA2 . 11456 1 1076 . 1 1 88 88 GLY HA3 H 1 3.894 0.03 . 2 . . . A 84 GLY HA3 . 11456 1 1077 . 1 1 88 88 GLY C C 13 174.071 0.3 . 1 . . . A 84 GLY C . 11456 1 1078 . 1 1 88 88 GLY CA C 13 45.425 0.3 . 1 . . . A 84 GLY CA . 11456 1 1079 . 1 1 88 88 GLY N N 15 112.015 0.3 . 1 . . . A 84 GLY N . 11456 1 1080 . 1 1 89 89 ILE H H 1 7.944 0.03 . 1 . . . A 85 ILE H . 11456 1 1081 . 1 1 89 89 ILE HA H 1 4.173 0.03 . 1 . . . A 85 ILE HA . 11456 1 1082 . 1 1 89 89 ILE HB H 1 1.813 0.03 . 1 . . . A 85 ILE HB . 11456 1 1083 . 1 1 89 89 ILE HG12 H 1 1.419 0.03 . 2 . . . A 85 ILE HG12 . 11456 1 1084 . 1 1 89 89 ILE HG13 H 1 1.142 0.03 . 2 . . . A 85 ILE HG13 . 11456 1 1085 . 1 1 89 89 ILE HG21 H 1 0.83 0.03 . 1 . . . A 85 ILE HG21 . 11456 1 1086 . 1 1 89 89 ILE HG22 H 1 0.83 0.03 . 1 . . . A 85 ILE HG22 . 11456 1 1087 . 1 1 89 89 ILE HG23 H 1 0.83 0.03 . 1 . . . A 85 ILE HG23 . 11456 1 1088 . 1 1 89 89 ILE HD11 H 1 0.819 0.03 . 1 . . . A 85 ILE HD11 . 11456 1 1089 . 1 1 89 89 ILE HD12 H 1 0.819 0.03 . 1 . . . A 85 ILE HD12 . 11456 1 1090 . 1 1 89 89 ILE HD13 H 1 0.819 0.03 . 1 . . . A 85 ILE HD13 . 11456 1 1091 . 1 1 89 89 ILE CA C 13 60.855 0.3 . 1 . . . A 85 ILE CA . 11456 1 1092 . 1 1 89 89 ILE CB C 13 38.753 0.3 . 1 . . . A 85 ILE CB . 11456 1 1093 . 1 1 89 89 ILE CG1 C 13 27.265 0.3 . 1 . . . A 85 ILE CG1 . 11456 1 1094 . 1 1 89 89 ILE CG2 C 13 17.492 0.3 . 1 . . . A 85 ILE CG2 . 11456 1 1095 . 1 1 89 89 ILE CD1 C 13 12.732 0.3 . 1 . . . A 85 ILE CD1 . 11456 1 1096 . 1 1 89 89 ILE N N 15 120.457 0.3 . 1 . . . A 85 ILE N . 11456 1 1097 . 1 1 90 90 VAL H H 1 8.306 0.03 . 1 . . . A 86 VAL H . 11456 1 1098 . 1 1 90 90 VAL HA H 1 4.415 0.03 . 1 . . . A 86 VAL HA . 11456 1 1099 . 1 1 90 90 VAL HB H 1 2.034 0.03 . 1 . . . A 86 VAL HB . 11456 1 1100 . 1 1 90 90 VAL HG11 H 1 0.832 0.03 . 1 . . . A 86 VAL HG11 . 11456 1 1101 . 1 1 90 90 VAL HG12 H 1 0.832 0.03 . 1 . . . A 86 VAL HG12 . 11456 1 1102 . 1 1 90 90 VAL HG13 H 1 0.832 0.03 . 1 . . . A 86 VAL HG13 . 11456 1 1103 . 1 1 90 90 VAL HG21 H 1 0.912 0.03 . 1 . . . A 86 VAL HG21 . 11456 1 1104 . 1 1 90 90 VAL HG22 H 1 0.912 0.03 . 1 . . . A 86 VAL HG22 . 11456 1 1105 . 1 1 90 90 VAL HG23 H 1 0.912 0.03 . 1 . . . A 86 VAL HG23 . 11456 1 1106 . 1 1 90 90 VAL CA C 13 59.713 0.3 . 1 . . . A 86 VAL CA . 11456 1 1107 . 1 1 90 90 VAL CG2 C 13 20.472 0.3 . 2 . . . A 86 VAL CG2 . 11456 1 1108 . 1 1 90 90 VAL N N 15 127.206 0.3 . 1 . . . A 86 VAL N . 11456 1 1109 . 1 1 91 91 PRO HD2 H 1 3.695 0.03 . 2 . . . A 87 PRO HD2 . 11456 1 1110 . 1 1 91 91 PRO HD3 H 1 3.904 0.03 . 2 . . . A 87 PRO HD3 . 11456 1 stop_ save_