data_17199 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17199 _Entry.Title ; Solution structure of Rap1-Taz1 fusion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-19 _Entry.Accession_date 2010-09-19 _Entry.Last_release_date 2011-03-30 _Entry.Original_release_date 2011-03-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zi-ren Zhou . . . 17199 2 Feng Wang . . . 17199 3 Yong Chen . . . 17199 4 Ming Lei . . . 17199 5 Hong-yu Hu . . . 17199 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 . 'not applicable' 'not applicable' . 17199 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID spRT6 . 17199 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17199 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 17199 '15N chemical shifts' 88 17199 '1H chemical shifts' 535 17199 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 . . 2011-03-30 2010-09-19 original author . 17199 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L3N 'BMRB Entry Tracking System' 17199 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17199 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21217703 _Citation.Full_citation . _Citation.Title 'A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _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 213 _Citation.Page_last 221 _Citation.Year 2011 _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 Yong Chen . . . 17199 1 2 Rekha Rai . . . 17199 1 3 Zi-Ren Zhou . . . 17199 1 4 Junko Kanoh . . . 17199 1 5 Cyril Ribeyre . . . 17199 1 6 Yuting Yang . . . 17199 1 7 Hong Zheng . . . 17199 1 8 Pascal Damay . . . 17199 1 9 Feng Wang . . . 17199 1 10 Hisayo Tsujii . . . 17199 1 11 Yasushi Hiraoka . . . 17199 1 12 David Shore . . . 17199 1 13 Hong-Yu Hu . . . 17199 1 14 Sandy Chang . . . 17199 1 15 Ming Lei . . . 17199 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17199 _Assembly.ID 1 _Assembly.Name spRT6 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 spRT6 1 $spRT6 A . yes native no no . . . 17199 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_spRT6 _Entity.Sf_category entity _Entity.Sf_framecode spRT6 _Entity.Entry_ID 17199 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name spRT6 _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 ; SVSILRSSVNHREVDEAIDN ILRYTNSTEQQFLEAMESTG GRVRIAIAKLLSKQTSGGSG GSKLGGSGGSRKDLSVKGML YDSDSQQILNRLRERVSGST AQSA ; _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 104 _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 11117.421 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L3N . "Solution Structure Of Rap1-Taz1 Fusion Protein" . . . . . 100.00 104 100.00 100.00 1.42e-64 . . . . 17199 1 2 no DBJ BAB70735 . "Rap1 [Schizosaccharomyces pombe]" . . . . . 52.88 693 100.00 100.00 1.61e-26 . . . . 17199 1 3 no EMBL CAC39280 . "telomere binding protein Rap1 [Schizosaccharomyces pombe]" . . . . . 52.88 693 100.00 100.00 1.61e-26 . . . . 17199 1 4 no GB AAK57740 . "Rap1 [Schizosaccharomyces pombe]" . . . . . 52.88 693 100.00 100.00 1.61e-26 . . . . 17199 1 5 no PIR T39684 . "hypothetical protein SPBC1778.02 - fission yeast (Schizosaccharomyces pombe)" . . . . . 52.88 612 100.00 100.00 1.12e-26 . . . . 17199 1 6 no REF NP_596285 . "telomere binding protein Rap1 [Schizosaccharomyces pombe 972h-]" . . . . . 52.88 693 100.00 100.00 1.61e-26 . . . . 17199 1 7 no SP Q96TL7 . "RecName: Full=DNA-binding protein rap1" . . . . . 52.88 693 100.00 100.00 1.61e-26 . . . . 17199 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 . SER . 17199 1 2 . VAL . 17199 1 3 . SER . 17199 1 4 . ILE . 17199 1 5 . LEU . 17199 1 6 . ARG . 17199 1 7 . SER . 17199 1 8 . SER . 17199 1 9 . VAL . 17199 1 10 . ASN . 17199 1 11 . HIS . 17199 1 12 . ARG . 17199 1 13 . GLU . 17199 1 14 . VAL . 17199 1 15 . ASP . 17199 1 16 . GLU . 17199 1 17 . ALA . 17199 1 18 . ILE . 17199 1 19 . ASP . 17199 1 20 . ASN . 17199 1 21 . ILE . 17199 1 22 . LEU . 17199 1 23 . ARG . 17199 1 24 . TYR . 17199 1 25 . THR . 17199 1 26 . ASN . 17199 1 27 . SER . 17199 1 28 . THR . 17199 1 29 . GLU . 17199 1 30 . GLN . 17199 1 31 . GLN . 17199 1 32 . PHE . 17199 1 33 . LEU . 17199 1 34 . GLU . 17199 1 35 . ALA . 17199 1 36 . MET . 17199 1 37 . GLU . 17199 1 38 . SER . 17199 1 39 . THR . 17199 1 40 . GLY . 17199 1 41 . GLY . 17199 1 42 . ARG . 17199 1 43 . VAL . 17199 1 44 . ARG . 17199 1 45 . ILE . 17199 1 46 . ALA . 17199 1 47 . ILE . 17199 1 48 . ALA . 17199 1 49 . LYS . 17199 1 50 . LEU . 17199 1 51 . LEU . 17199 1 52 . SER . 17199 1 53 . LYS . 17199 1 54 . GLN . 17199 1 55 . THR . 17199 1 56 . SER . 17199 1 57 . GLY . 17199 1 58 . GLY . 17199 1 59 . SER . 17199 1 60 . GLY . 17199 1 61 . GLY . 17199 1 62 . SER . 17199 1 63 . LYS . 17199 1 64 . LEU . 17199 1 65 . GLY . 17199 1 66 . GLY . 17199 1 67 . SER . 17199 1 68 . GLY . 17199 1 69 . GLY . 17199 1 70 . SER . 17199 1 71 . ARG . 17199 1 72 . LYS . 17199 1 73 . ASP . 17199 1 74 . LEU . 17199 1 75 . SER . 17199 1 76 . VAL . 17199 1 77 . LYS . 17199 1 78 . GLY . 17199 1 79 . MET . 17199 1 80 . LEU . 17199 1 81 . TYR . 17199 1 82 . ASP . 17199 1 83 . SER . 17199 1 84 . ASP . 17199 1 85 . SER . 17199 1 86 . GLN . 17199 1 87 . GLN . 17199 1 88 . ILE . 17199 1 89 . LEU . 17199 1 90 . ASN . 17199 1 91 . ARG . 17199 1 92 . LEU . 17199 1 93 . ARG . 17199 1 94 . GLU . 17199 1 95 . ARG . 17199 1 96 . VAL . 17199 1 97 . SER . 17199 1 98 . GLY . 17199 1 99 . SER . 17199 1 100 . THR . 17199 1 101 . ALA . 17199 1 102 . GLN . 17199 1 103 . SER . 17199 1 104 . ALA . 17199 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 . SER 1 1 17199 1 . VAL 2 2 17199 1 . SER 3 3 17199 1 . ILE 4 4 17199 1 . LEU 5 5 17199 1 . ARG 6 6 17199 1 . SER 7 7 17199 1 . SER 8 8 17199 1 . VAL 9 9 17199 1 . ASN 10 10 17199 1 . HIS 11 11 17199 1 . ARG 12 12 17199 1 . GLU 13 13 17199 1 . VAL 14 14 17199 1 . ASP 15 15 17199 1 . GLU 16 16 17199 1 . ALA 17 17 17199 1 . ILE 18 18 17199 1 . ASP 19 19 17199 1 . ASN 20 20 17199 1 . ILE 21 21 17199 1 . LEU 22 22 17199 1 . ARG 23 23 17199 1 . TYR 24 24 17199 1 . THR 25 25 17199 1 . ASN 26 26 17199 1 . SER 27 27 17199 1 . THR 28 28 17199 1 . GLU 29 29 17199 1 . GLN 30 30 17199 1 . GLN 31 31 17199 1 . PHE 32 32 17199 1 . LEU 33 33 17199 1 . GLU 34 34 17199 1 . ALA 35 35 17199 1 . MET 36 36 17199 1 . GLU 37 37 17199 1 . SER 38 38 17199 1 . THR 39 39 17199 1 . GLY 40 40 17199 1 . GLY 41 41 17199 1 . ARG 42 42 17199 1 . VAL 43 43 17199 1 . ARG 44 44 17199 1 . ILE 45 45 17199 1 . ALA 46 46 17199 1 . ILE 47 47 17199 1 . ALA 48 48 17199 1 . LYS 49 49 17199 1 . LEU 50 50 17199 1 . LEU 51 51 17199 1 . SER 52 52 17199 1 . LYS 53 53 17199 1 . GLN 54 54 17199 1 . THR 55 55 17199 1 . SER 56 56 17199 1 . GLY 57 57 17199 1 . GLY 58 58 17199 1 . SER 59 59 17199 1 . GLY 60 60 17199 1 . GLY 61 61 17199 1 . SER 62 62 17199 1 . LYS 63 63 17199 1 . LEU 64 64 17199 1 . GLY 65 65 17199 1 . GLY 66 66 17199 1 . SER 67 67 17199 1 . GLY 68 68 17199 1 . GLY 69 69 17199 1 . SER 70 70 17199 1 . ARG 71 71 17199 1 . LYS 72 72 17199 1 . ASP 73 73 17199 1 . LEU 74 74 17199 1 . SER 75 75 17199 1 . VAL 76 76 17199 1 . LYS 77 77 17199 1 . GLY 78 78 17199 1 . MET 79 79 17199 1 . LEU 80 80 17199 1 . TYR 81 81 17199 1 . ASP 82 82 17199 1 . SER 83 83 17199 1 . ASP 84 84 17199 1 . SER 85 85 17199 1 . GLN 86 86 17199 1 . GLN 87 87 17199 1 . ILE 88 88 17199 1 . LEU 89 89 17199 1 . ASN 90 90 17199 1 . ARG 91 91 17199 1 . LEU 92 92 17199 1 . ARG 93 93 17199 1 . GLU 94 94 17199 1 . ARG 95 95 17199 1 . VAL 96 96 17199 1 . SER 97 97 17199 1 . GLY 98 98 17199 1 . SER 99 99 17199 1 . THR 100 100 17199 1 . ALA 101 101 17199 1 . GLN 102 102 17199 1 . SER 103 103 17199 1 . ALA 104 104 17199 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 17199 _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 $spRT6 . 4896 organism . 'Schizosaccharomyces pombe' fission yeast . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . 17199 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 17199 _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 $spRT6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28a-SUMO . . . . . . 17199 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17199 _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 spRT6 '[U-99% 13C; U-99% 15N]' . . 1 $spRT6 . . 1.1 . . mM . . . . 17199 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17199 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17199 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17199 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17199 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17199 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17199 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 spRT6 '[U-99% 15N]' . . 1 $spRT6 . . 0.6 . . mM . . . . 17199 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17199 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17199 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17199 2 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17199 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17199 2 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 17199 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.07 . M 17199 1 pH 6.5 . pH 17199 1 pressure 1 . atm 17199 1 temperature 298 . K 17199 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17199 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _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' . . 17199 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17199 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 17199 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17199 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17199 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 17199 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 12 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 1 13 '3D CCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17199 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 17199 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17199 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17199 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17199 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 17199 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17199 1 2 '3D HNCACB' . . . 17199 1 3 '3D CBCA(CO)NH' . . . 17199 1 4 '3D HNCO' . . . 17199 1 5 '3D HNCACO' . . . 17199 1 6 '3D C(CO)NH' . . . 17199 1 7 '3D H(CCO)NH' . . . 17199 1 8 '3D HCCH-TOCSY' . . . 17199 1 9 '3D 1H-15N NOESY' . . . 17199 1 10 '3D 1H-13C NOESY' . . . 17199 1 11 '3D HNHA' . . . 17199 1 13 '3D CCH-COSY' . . . 17199 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 VAL HA H 1 4.257 0.004 . 1 . . . . 2 V HA . 17199 1 2 . 1 1 2 2 VAL HB H 1 2.119 0.002 . 1 . . . . 2 V HB . 17199 1 3 . 1 1 2 2 VAL HG11 H 1 0.969 0.003 . 2 . . . . 2 V HG1 . 17199 1 4 . 1 1 2 2 VAL HG12 H 1 0.969 0.003 . 2 . . . . 2 V HG1 . 17199 1 5 . 1 1 2 2 VAL HG13 H 1 0.969 0.003 . 2 . . . . 2 V HG1 . 17199 1 6 . 1 1 2 2 VAL HG21 H 1 0.970 0.004 . 2 . . . . 2 V HG2 . 17199 1 7 . 1 1 2 2 VAL HG22 H 1 0.970 0.004 . 2 . . . . 2 V HG2 . 17199 1 8 . 1 1 2 2 VAL HG23 H 1 0.970 0.004 . 2 . . . . 2 V HG2 . 17199 1 9 . 1 1 2 2 VAL C C 13 175.964 0.018 . 1 . . . . 2 V C . 17199 1 10 . 1 1 2 2 VAL CA C 13 62.318 0.037 . 1 . . . . 2 V CA . 17199 1 11 . 1 1 2 2 VAL CB C 13 32.925 0.053 . 1 . . . . 2 V CB . 17199 1 12 . 1 1 2 2 VAL CG1 C 13 20.985 0.101 . 2 . . . . 2 V CG1 . 17199 1 13 . 1 1 2 2 VAL CG2 C 13 20.455 0.062 . 2 . . . . 2 V CG2 . 17199 1 14 . 1 1 3 3 SER H H 1 8.495 0.002 . 1 . . . . 3 S H . 17199 1 15 . 1 1 3 3 SER HA H 1 4.527 0.006 . 1 . . . . 3 S HA . 17199 1 16 . 1 1 3 3 SER HB2 H 1 3.838 0.001 . 2 . . . . 3 S HB2 . 17199 1 17 . 1 1 3 3 SER C C 13 174.155 0.012 . 1 . . . . 3 S C . 17199 1 18 . 1 1 3 3 SER CA C 13 58.310 0.178 . 1 . . . . 3 S CA . 17199 1 19 . 1 1 3 3 SER CB C 13 63.915 0.018 . 1 . . . . 3 S CB . 17199 1 20 . 1 1 3 3 SER N N 15 120.215 0.017 . 1 . . . . 3 S N . 17199 1 21 . 1 1 4 4 ILE H H 1 8.275 0.006 . 1 . . . . 4 I H . 17199 1 22 . 1 1 4 4 ILE HA H 1 4.236 0.004 . 1 . . . . 4 I HA . 17199 1 23 . 1 1 4 4 ILE HB H 1 1.918 0.003 . 1 . . . . 4 I HB . 17199 1 24 . 1 1 4 4 ILE HD11 H 1 0.878 0.005 . 1 . . . . 4 I HD1 . 17199 1 25 . 1 1 4 4 ILE HD12 H 1 0.878 0.005 . 1 . . . . 4 I HD1 . 17199 1 26 . 1 1 4 4 ILE HD13 H 1 0.878 0.005 . 1 . . . . 4 I HD1 . 17199 1 27 . 1 1 4 4 ILE HG12 H 1 1.458 0.034 . 2 . . . . 4 I HG12 . 17199 1 28 . 1 1 4 4 ILE HG13 H 1 1.191 0.002 . 2 . . . . 4 I HG13 . 17199 1 29 . 1 1 4 4 ILE HG21 H 1 0.934 0.004 . 1 . . . . 4 I HG2 . 17199 1 30 . 1 1 4 4 ILE HG22 H 1 0.934 0.004 . 1 . . . . 4 I HG2 . 17199 1 31 . 1 1 4 4 ILE HG23 H 1 0.934 0.004 . 1 . . . . 4 I HG2 . 17199 1 32 . 1 1 4 4 ILE C C 13 175.226 0.000 . 1 . . . . 4 I C . 17199 1 33 . 1 1 4 4 ILE CA C 13 61.306 0.032 . 1 . . . . 4 I CA . 17199 1 34 . 1 1 4 4 ILE CB C 13 38.763 0.030 . 1 . . . . 4 I CB . 17199 1 35 . 1 1 4 4 ILE CD1 C 13 13.002 0.069 . 1 . . . . 4 I CD1 . 17199 1 36 . 1 1 4 4 ILE CG1 C 13 27.130 0.051 . 1 . . . . 4 I CG1 . 17199 1 37 . 1 1 4 4 ILE CG2 C 13 17.578 0.027 . 1 . . . . 4 I CG2 . 17199 1 38 . 1 1 4 4 ILE N N 15 123.584 0.020 . 1 . . . . 4 I N . 17199 1 39 . 1 1 5 5 LEU H H 1 7.875 0.001 . 1 . . . . 5 L H . 17199 1 40 . 1 1 5 5 LEU HA H 1 4.206 0.016 . 1 . . . . 5 L HA . 17199 1 41 . 1 1 5 5 LEU HB2 H 1 1.603 0.098 . 2 . . . . 5 L HB2 . 17199 1 42 . 1 1 5 5 LEU HD11 H 1 0.924 0.005 . 2 . . . . 5 L HD1 . 17199 1 43 . 1 1 5 5 LEU HD12 H 1 0.924 0.005 . 2 . . . . 5 L HD1 . 17199 1 44 . 1 1 5 5 LEU HD13 H 1 0.924 0.005 . 2 . . . . 5 L HD1 . 17199 1 45 . 1 1 5 5 LEU HD21 H 1 0.869 0.013 . 2 . . . . 5 L HD2 . 17199 1 46 . 1 1 5 5 LEU HD22 H 1 0.869 0.013 . 2 . . . . 5 L HD2 . 17199 1 47 . 1 1 5 5 LEU HD23 H 1 0.869 0.013 . 2 . . . . 5 L HD2 . 17199 1 48 . 1 1 5 5 LEU HG H 1 1.639 0.030 . 1 . . . . 5 L HG . 17199 1 49 . 1 1 5 5 LEU C C 13 182.306 0.000 . 1 . . . . 5 L C . 17199 1 50 . 1 1 5 5 LEU CA C 13 56.823 0.035 . 1 . . . . 5 L CA . 17199 1 51 . 1 1 5 5 LEU CB C 13 43.452 0.033 . 1 . . . . 5 L CB . 17199 1 52 . 1 1 5 5 LEU CD1 C 13 25.049 0.030 . 2 . . . . 5 L CD1 . 17199 1 53 . 1 1 5 5 LEU CD2 C 13 23.552 0.052 . 2 . . . . 5 L CD2 . 17199 1 54 . 1 1 5 5 LEU CG C 13 27.119 0.059 . 1 . . . . 5 L CG . 17199 1 55 . 1 1 5 5 LEU N N 15 131.566 0.010 . 1 . . . . 5 L N . 17199 1 56 . 1 1 7 7 SER HA H 1 4.592 0.002 . 1 . . . . 7 S HA . 17199 1 57 . 1 1 7 7 SER HB2 H 1 3.909 0.003 . 2 . . . . 7 S HB2 . 17199 1 58 . 1 1 7 7 SER C C 13 174.302 0.000 . 1 . . . . 7 S C . 17199 1 59 . 1 1 7 7 SER CA C 13 58.365 0.049 . 1 . . . . 7 S CA . 17199 1 60 . 1 1 7 7 SER CB C 13 63.936 0.018 . 1 . . . . 7 S CB . 17199 1 61 . 1 1 8 8 SER H H 1 8.641 0.002 . 1 . . . . 8 S H . 17199 1 62 . 1 1 8 8 SER HA H 1 4.511 0.024 . 1 . . . . 8 S HA . 17199 1 63 . 1 1 8 8 SER HB2 H 1 3.908 0.005 . 2 . . . . 8 S HB2 . 17199 1 64 . 1 1 8 8 SER C C 13 174.438 0.115 . 1 . . . . 8 S C . 17199 1 65 . 1 1 8 8 SER CA C 13 58.402 0.091 . 1 . . . . 8 S CA . 17199 1 66 . 1 1 8 8 SER CB C 13 63.923 0.038 . 1 . . . . 8 S CB . 17199 1 67 . 1 1 8 8 SER N N 15 118.634 0.026 . 1 . . . . 8 S N . 17199 1 68 . 1 1 9 9 VAL H H 1 8.241 0.003 . 1 . . . . 9 V H . 17199 1 69 . 1 1 9 9 VAL HA H 1 4.093 0.004 . 1 . . . . 9 V HA . 17199 1 70 . 1 1 9 9 VAL HB H 1 2.008 0.004 . 1 . . . . 9 V HB . 17199 1 71 . 1 1 9 9 VAL HG11 H 1 0.903 0.019 . 2 . . . . 9 V HG1 . 17199 1 72 . 1 1 9 9 VAL HG12 H 1 0.903 0.019 . 2 . . . . 9 V HG1 . 17199 1 73 . 1 1 9 9 VAL HG13 H 1 0.903 0.019 . 2 . . . . 9 V HG1 . 17199 1 74 . 1 1 9 9 VAL HG21 H 1 0.848 0.010 . 2 . . . . 9 V HG2 . 17199 1 75 . 1 1 9 9 VAL HG22 H 1 0.848 0.010 . 2 . . . . 9 V HG2 . 17199 1 76 . 1 1 9 9 VAL HG23 H 1 0.848 0.010 . 2 . . . . 9 V HG2 . 17199 1 77 . 1 1 9 9 VAL C C 13 175.674 0.001 . 1 . . . . 9 V C . 17199 1 78 . 1 1 9 9 VAL CA C 13 62.503 0.020 . 1 . . . . 9 V CA . 17199 1 79 . 1 1 9 9 VAL CB C 13 32.741 0.092 . 1 . . . . 9 V CB . 17199 1 80 . 1 1 9 9 VAL CG1 C 13 20.633 0.129 . 2 . . . . 9 V CG1 . 17199 1 81 . 1 1 9 9 VAL CG2 C 13 21.006 0.077 . 2 . . . . 9 V CG2 . 17199 1 82 . 1 1 9 9 VAL N N 15 121.548 0.034 . 1 . . . . 9 V N . 17199 1 83 . 1 1 10 10 ASN H H 1 8.495 0.003 . 1 . . . . 10 N H . 17199 1 84 . 1 1 10 10 ASN HA H 1 4.702 0.004 . 1 . . . . 10 N HA . 17199 1 85 . 1 1 10 10 ASN HB2 H 1 2.844 0.022 . 2 . . . . 10 N HB2 . 17199 1 86 . 1 1 10 10 ASN HB3 H 1 2.810 0.002 . 2 . . . . 10 N HB3 . 17199 1 87 . 1 1 10 10 ASN C C 13 175.617 0.000 . 1 . . . . 10 N C . 17199 1 88 . 1 1 10 10 ASN CA C 13 53.099 0.023 . 1 . . . . 10 N CA . 17199 1 89 . 1 1 10 10 ASN CB C 13 38.884 0.030 . 1 . . . . 10 N CB . 17199 1 90 . 1 1 10 10 ASN N N 15 122.176 0.018 . 1 . . . . 10 N N . 17199 1 91 . 1 1 11 11 HIS HA H 1 4.664 0.009 . 1 . . . . 11 H HA . 17199 1 92 . 1 1 11 11 HIS HB2 H 1 3.197 0.080 . 2 . . . . 11 H HB2 . 17199 1 93 . 1 1 11 11 HIS HB3 H 1 3.100 0.067 . 2 . . . . 11 H HB3 . 17199 1 94 . 1 1 11 11 HIS HD2 H 1 7.136 0.000 . 1 . . . . 11 H HD2 . 17199 1 95 . 1 1 11 11 HIS C C 13 175.627 0.000 . 1 . . . . 11 H C . 17199 1 96 . 1 1 11 11 HIS CA C 13 56.831 0.036 . 1 . . . . 11 H CA . 17199 1 97 . 1 1 11 11 HIS CB C 13 29.548 0.073 . 1 . . . . 11 H CB . 17199 1 98 . 1 1 12 12 ARG H H 1 8.209 0.004 . 1 . . . . 12 R H . 17199 1 99 . 1 1 12 12 ARG HA H 1 4.201 0.007 . 1 . . . . 12 R HA . 17199 1 100 . 1 1 12 12 ARG HB2 H 1 1.909 0.012 . 2 . . . . 12 R HB2 . 17199 1 101 . 1 1 12 12 ARG HD2 H 1 3.254 0.031 . 2 . . . . 12 R HD2 . 17199 1 102 . 1 1 12 12 ARG HG2 H 1 1.635 0.025 . 2 . . . . 12 R HG2 . 17199 1 103 . 1 1 12 12 ARG C C 13 178.337 0.005 . 1 . . . . 12 R C . 17199 1 104 . 1 1 12 12 ARG CA C 13 59.331 0.033 . 1 . . . . 12 R CA . 17199 1 105 . 1 1 12 12 ARG CB C 13 30.121 0.093 . 1 . . . . 12 R CB . 17199 1 106 . 1 1 12 12 ARG CD C 13 43.438 0.135 . 1 . . . . 12 R CD . 17199 1 107 . 1 1 12 12 ARG CG C 13 27.067 0.098 . 1 . . . . 12 R CG . 17199 1 108 . 1 1 12 12 ARG N N 15 121.109 0.012 . 1 . . . . 12 R N . 17199 1 109 . 1 1 13 13 GLU H H 1 8.587 0.012 . 1 . . . . 13 E H . 17199 1 110 . 1 1 13 13 GLU HA H 1 4.113 0.006 . 1 . . . . 13 E HA . 17199 1 111 . 1 1 13 13 GLU HB2 H 1 2.119 0.009 . 2 . . . . 13 E HB2 . 17199 1 112 . 1 1 13 13 GLU HG2 H 1 2.360 0.007 . 2 . . . . 13 E HG2 . 17199 1 113 . 1 1 13 13 GLU C C 13 179.474 0.018 . 1 . . . . 13 E C . 17199 1 114 . 1 1 13 13 GLU CA C 13 59.650 0.106 . 1 . . . . 13 E CA . 17199 1 115 . 1 1 13 13 GLU CB C 13 29.254 0.074 . 1 . . . . 13 E CB . 17199 1 116 . 1 1 13 13 GLU CG C 13 36.967 0.104 . 1 . . . . 13 E CG . 17199 1 117 . 1 1 13 13 GLU N N 15 119.284 0.018 . 1 . . . . 13 E N . 17199 1 118 . 1 1 14 14 VAL H H 1 8.049 0.007 . 1 . . . . 14 V H . 17199 1 119 . 1 1 14 14 VAL HA H 1 3.867 0.010 . 1 . . . . 14 V HA . 17199 1 120 . 1 1 14 14 VAL HB H 1 2.102 0.049 . 1 . . . . 14 V HB . 17199 1 121 . 1 1 14 14 VAL HG11 H 1 1.008 0.015 . 2 . . . . 14 V HG1 . 17199 1 122 . 1 1 14 14 VAL HG12 H 1 1.008 0.015 . 2 . . . . 14 V HG1 . 17199 1 123 . 1 1 14 14 VAL HG13 H 1 1.008 0.015 . 2 . . . . 14 V HG1 . 17199 1 124 . 1 1 14 14 VAL HG21 H 1 0.997 0.010 . 2 . . . . 14 V HG2 . 17199 1 125 . 1 1 14 14 VAL HG22 H 1 0.997 0.010 . 2 . . . . 14 V HG2 . 17199 1 126 . 1 1 14 14 VAL HG23 H 1 0.997 0.010 . 2 . . . . 14 V HG2 . 17199 1 127 . 1 1 14 14 VAL C C 13 177.203 0.000 . 1 . . . . 14 V C . 17199 1 128 . 1 1 14 14 VAL CA C 13 65.622 0.067 . 1 . . . . 14 V CA . 17199 1 129 . 1 1 14 14 VAL CB C 13 31.695 0.092 . 1 . . . . 14 V CB . 17199 1 130 . 1 1 14 14 VAL CG1 C 13 22.873 0.057 . 2 . . . . 14 V CG1 . 17199 1 131 . 1 1 14 14 VAL CG2 C 13 21.640 0.060 . 2 . . . . 14 V CG2 . 17199 1 132 . 1 1 14 14 VAL N N 15 120.503 0.021 . 1 . . . . 14 V N . 17199 1 133 . 1 1 15 15 ASP H H 1 8.290 0.060 . 1 . . . . 15 D H . 17199 1 134 . 1 1 15 15 ASP HA H 1 4.445 0.030 . 1 . . . . 15 D HA . 17199 1 135 . 1 1 15 15 ASP HB2 H 1 2.771 0.077 . 2 . . . . 15 D HB2 . 17199 1 136 . 1 1 15 15 ASP HB3 H 1 2.637 0.007 . 2 . . . . 15 D HB3 . 17199 1 137 . 1 1 15 15 ASP C C 13 178.178 0.017 . 1 . . . . 15 D C . 17199 1 138 . 1 1 15 15 ASP CA C 13 58.186 0.024 . 1 . . . . 15 D CA . 17199 1 139 . 1 1 15 15 ASP CB C 13 39.871 0.116 . 1 . . . . 15 D CB . 17199 1 140 . 1 1 15 15 ASP N N 15 120.974 0.036 . 1 . . . . 15 D N . 17199 1 141 . 1 1 16 16 GLU H H 1 8.087 0.003 . 1 . . . . 16 E H . 17199 1 142 . 1 1 16 16 GLU HA H 1 4.103 0.037 . 1 . . . . 16 E HA . 17199 1 143 . 1 1 16 16 GLU HB2 H 1 2.122 0.003 . 2 . . . . 16 E HB2 . 17199 1 144 . 1 1 16 16 GLU HG2 H 1 2.454 0.003 . 2 . . . . 16 E HG2 . 17199 1 145 . 1 1 16 16 GLU C C 13 178.633 0.049 . 1 . . . . 16 E C . 17199 1 146 . 1 1 16 16 GLU CA C 13 59.559 0.051 . 1 . . . . 16 E CA . 17199 1 147 . 1 1 16 16 GLU CB C 13 29.553 0.005 . 1 . . . . 16 E CB . 17199 1 148 . 1 1 16 16 GLU CG C 13 36.645 0.000 . 1 . . . . 16 E CG . 17199 1 149 . 1 1 16 16 GLU N N 15 119.666 0.015 . 1 . . . . 16 E N . 17199 1 150 . 1 1 17 17 ALA H H 1 7.724 0.004 . 1 . . . . 17 A H . 17199 1 151 . 1 1 17 17 ALA HA H 1 4.227 0.008 . 1 . . . . 17 A HA . 17199 1 152 . 1 1 17 17 ALA HB1 H 1 1.516 0.008 . 1 . . . . 17 A HB . 17199 1 153 . 1 1 17 17 ALA HB2 H 1 1.516 0.008 . 1 . . . . 17 A HB . 17199 1 154 . 1 1 17 17 ALA HB3 H 1 1.516 0.008 . 1 . . . . 17 A HB . 17199 1 155 . 1 1 17 17 ALA C C 13 180.388 0.003 . 1 . . . . 17 A C . 17199 1 156 . 1 1 17 17 ALA CA C 13 55.411 0.042 . 1 . . . . 17 A CA . 17199 1 157 . 1 1 17 17 ALA CB C 13 18.072 0.035 . 1 . . . . 17 A CB . 17199 1 158 . 1 1 17 17 ALA N N 15 122.086 0.009 . 1 . . . . 17 A N . 17199 1 159 . 1 1 18 18 ILE H H 1 8.403 0.012 . 1 . . . . 18 I H . 17199 1 160 . 1 1 18 18 ILE HA H 1 3.588 0.056 . 1 . . . . 18 I HA . 17199 1 161 . 1 1 18 18 ILE HB H 1 2.110 0.004 . 1 . . . . 18 I HB . 17199 1 162 . 1 1 18 18 ILE HD11 H 1 0.979 0.008 . 1 . . . . 18 I HD1 . 17199 1 163 . 1 1 18 18 ILE HD12 H 1 0.979 0.008 . 1 . . . . 18 I HD1 . 17199 1 164 . 1 1 18 18 ILE HD13 H 1 0.979 0.008 . 1 . . . . 18 I HD1 . 17199 1 165 . 1 1 18 18 ILE HG12 H 1 0.913 0.007 . 2 . . . . 18 I HG12 . 17199 1 166 . 1 1 18 18 ILE HG21 H 1 0.977 0.004 . 1 . . . . 18 I HG2 . 17199 1 167 . 1 1 18 18 ILE HG22 H 1 0.977 0.004 . 1 . . . . 18 I HG2 . 17199 1 168 . 1 1 18 18 ILE HG23 H 1 0.977 0.004 . 1 . . . . 18 I HG2 . 17199 1 169 . 1 1 18 18 ILE C C 13 177.226 0.018 . 1 . . . . 18 I C . 17199 1 170 . 1 1 18 18 ILE CA C 13 66.643 0.016 . 1 . . . . 18 I CA . 17199 1 171 . 1 1 18 18 ILE CB C 13 38.780 0.035 . 1 . . . . 18 I CB . 17199 1 172 . 1 1 18 18 ILE CD1 C 13 14.440 0.035 . 1 . . . . 18 I CD1 . 17199 1 173 . 1 1 18 18 ILE CG1 C 13 31.206 0.049 . 1 . . . . 18 I CG1 . 17199 1 174 . 1 1 18 18 ILE CG2 C 13 17.568 0.026 . 1 . . . . 18 I CG2 . 17199 1 175 . 1 1 18 18 ILE N N 15 117.325 0.012 . 1 . . . . 18 I N . 17199 1 176 . 1 1 19 19 ASP H H 1 8.925 0.007 . 1 . . . . 19 D H . 17199 1 177 . 1 1 19 19 ASP HA H 1 4.332 0.010 . 1 . . . . 19 D HA . 17199 1 178 . 1 1 19 19 ASP HB2 H 1 2.766 0.081 . 2 . . . . 19 D HB2 . 17199 1 179 . 1 1 19 19 ASP HB3 H 1 2.637 0.004 . 2 . . . . 19 D HB3 . 17199 1 180 . 1 1 19 19 ASP C C 13 179.418 0.016 . 1 . . . . 19 D C . 17199 1 181 . 1 1 19 19 ASP CA C 13 58.131 0.023 . 1 . . . . 19 D CA . 17199 1 182 . 1 1 19 19 ASP CB C 13 39.551 0.058 . 1 . . . . 19 D CB . 17199 1 183 . 1 1 19 19 ASP N N 15 120.529 0.020 . 1 . . . . 19 D N . 17199 1 184 . 1 1 20 20 ASN H H 1 8.428 0.008 . 1 . . . . 20 N H . 17199 1 185 . 1 1 20 20 ASN HA H 1 4.498 0.067 . 1 . . . . 20 N HA . 17199 1 186 . 1 1 20 20 ASN HB2 H 1 3.118 0.005 . 2 . . . . 20 N HB2 . 17199 1 187 . 1 1 20 20 ASN HB3 H 1 2.782 0.010 . 2 . . . . 20 N HB3 . 17199 1 188 . 1 1 20 20 ASN C C 13 178.046 0.016 . 1 . . . . 20 N C . 17199 1 189 . 1 1 20 20 ASN CA C 13 56.283 0.038 . 1 . . . . 20 N CA . 17199 1 190 . 1 1 20 20 ASN CB C 13 38.358 0.035 . 1 . . . . 20 N CB . 17199 1 191 . 1 1 20 20 ASN N N 15 118.997 0.009 . 1 . . . . 20 N N . 17199 1 192 . 1 1 21 21 ILE H H 1 8.135 0.007 . 1 . . . . 21 I H . 17199 1 193 . 1 1 21 21 ILE HA H 1 3.488 0.009 . 1 . . . . 21 I HA . 17199 1 194 . 1 1 21 21 ILE HB H 1 1.802 0.008 . 1 . . . . 21 I HB . 17199 1 195 . 1 1 21 21 ILE HD11 H 1 0.770 0.008 . 1 . . . . 21 I HD1 . 17199 1 196 . 1 1 21 21 ILE HD12 H 1 0.770 0.008 . 1 . . . . 21 I HD1 . 17199 1 197 . 1 1 21 21 ILE HD13 H 1 0.770 0.008 . 1 . . . . 21 I HD1 . 17199 1 198 . 1 1 21 21 ILE HG12 H 1 0.796 0.065 . 2 . . . . 21 I HG12 . 17199 1 199 . 1 1 21 21 ILE HG21 H 1 -0.022 0.004 . 1 . . . . 21 I HG2 . 17199 1 200 . 1 1 21 21 ILE HG22 H 1 -0.022 0.004 . 1 . . . . 21 I HG2 . 17199 1 201 . 1 1 21 21 ILE HG23 H 1 -0.022 0.004 . 1 . . . . 21 I HG2 . 17199 1 202 . 1 1 21 21 ILE C C 13 179.663 0.005 . 1 . . . . 21 I C . 17199 1 203 . 1 1 21 21 ILE CA C 13 65.935 0.028 . 1 . . . . 21 I CA . 17199 1 204 . 1 1 21 21 ILE CB C 13 37.769 0.031 . 1 . . . . 21 I CB . 17199 1 205 . 1 1 21 21 ILE CD1 C 13 14.142 0.027 . 1 . . . . 21 I CD1 . 17199 1 206 . 1 1 21 21 ILE CG1 C 13 30.124 0.019 . 1 . . . . 21 I CG1 . 17199 1 207 . 1 1 21 21 ILE CG2 C 13 17.336 0.020 . 1 . . . . 21 I CG2 . 17199 1 208 . 1 1 21 21 ILE N N 15 122.683 0.013 . 1 . . . . 21 I N . 17199 1 209 . 1 1 22 22 LEU H H 1 8.937 0.003 . 1 . . . . 22 L H . 17199 1 210 . 1 1 22 22 LEU HA H 1 3.654 0.007 . 1 . . . . 22 L HA . 17199 1 211 . 1 1 22 22 LEU HB2 H 1 1.887 0.116 . 2 . . . . 22 L HB2 . 17199 1 212 . 1 1 22 22 LEU HB3 H 1 1.737 0.072 . 2 . . . . 22 L HB3 . 17199 1 213 . 1 1 22 22 LEU HD11 H 1 0.910 0.007 . 2 . . . . 22 L HD1 . 17199 1 214 . 1 1 22 22 LEU HD12 H 1 0.910 0.007 . 2 . . . . 22 L HD1 . 17199 1 215 . 1 1 22 22 LEU HD13 H 1 0.910 0.007 . 2 . . . . 22 L HD1 . 17199 1 216 . 1 1 22 22 LEU HD21 H 1 0.551 0.004 . 2 . . . . 22 L HD2 . 17199 1 217 . 1 1 22 22 LEU HD22 H 1 0.551 0.004 . 2 . . . . 22 L HD2 . 17199 1 218 . 1 1 22 22 LEU HD23 H 1 0.551 0.004 . 2 . . . . 22 L HD2 . 17199 1 219 . 1 1 22 22 LEU HG H 1 2.135 0.004 . 1 . . . . 22 L HG . 17199 1 220 . 1 1 22 22 LEU C C 13 179.244 0.024 . 1 . . . . 22 L C . 17199 1 221 . 1 1 22 22 LEU CA C 13 58.531 0.016 . 1 . . . . 22 L CA . 17199 1 222 . 1 1 22 22 LEU CB C 13 39.477 0.029 . 1 . . . . 22 L CB . 17199 1 223 . 1 1 22 22 LEU CD1 C 13 26.667 0.049 . 2 . . . . 22 L CD1 . 17199 1 224 . 1 1 22 22 LEU CD2 C 13 22.949 0.035 . 2 . . . . 22 L CD2 . 17199 1 225 . 1 1 22 22 LEU CG C 13 25.486 0.099 . 1 . . . . 22 L CG . 17199 1 226 . 1 1 22 22 LEU N N 15 123.051 0.012 . 1 . . . . 22 L N . 17199 1 227 . 1 1 23 23 ARG H H 1 7.885 0.008 . 1 . . . . 23 R H . 17199 1 228 . 1 1 23 23 ARG HA H 1 4.201 0.005 . 1 . . . . 23 R HA . 17199 1 229 . 1 1 23 23 ARG HB2 H 1 1.995 0.022 . 2 . . . . 23 R HB2 . 17199 1 230 . 1 1 23 23 ARG HB3 H 1 1.963 0.006 . 2 . . . . 23 R HB3 . 17199 1 231 . 1 1 23 23 ARG HD2 H 1 3.279 0.035 . 2 . . . . 23 R HD2 . 17199 1 232 . 1 1 23 23 ARG HG2 H 1 1.800 0.072 . 2 . . . . 23 R HG2 . 17199 1 233 . 1 1 23 23 ARG C C 13 179.462 0.030 . 1 . . . . 23 R C . 17199 1 234 . 1 1 23 23 ARG CA C 13 59.249 0.030 . 1 . . . . 23 R CA . 17199 1 235 . 1 1 23 23 ARG CB C 13 30.428 0.068 . 1 . . . . 23 R CB . 17199 1 236 . 1 1 23 23 ARG CD C 13 43.385 0.058 . 1 . . . . 23 R CD . 17199 1 237 . 1 1 23 23 ARG CG C 13 27.822 0.066 . 1 . . . . 23 R CG . 17199 1 238 . 1 1 23 23 ARG N N 15 117.229 0.022 . 1 . . . . 23 R N . 17199 1 239 . 1 1 24 24 TYR H H 1 8.345 0.005 . 1 . . . . 24 Y H . 17199 1 240 . 1 1 24 24 TYR HA H 1 4.361 0.010 . 1 . . . . 24 Y HA . 17199 1 241 . 1 1 24 24 TYR HB2 H 1 3.325 0.004 . 2 . . . . 24 Y HB2 . 17199 1 242 . 1 1 24 24 TYR HB3 H 1 2.916 0.026 . 2 . . . . 24 Y HB3 . 17199 1 243 . 1 1 24 24 TYR C C 13 176.656 0.018 . 1 . . . . 24 Y C . 17199 1 244 . 1 1 24 24 TYR CA C 13 60.607 0.094 . 1 . . . . 24 Y CA . 17199 1 245 . 1 1 24 24 TYR CB C 13 39.486 0.039 . 1 . . . . 24 Y CB . 17199 1 246 . 1 1 24 24 TYR N N 15 119.468 0.021 . 1 . . . . 24 Y N . 17199 1 247 . 1 1 25 25 THR H H 1 7.875 0.004 . 1 . . . . 25 T H . 17199 1 248 . 1 1 25 25 THR HA H 1 4.064 0.004 . 1 . . . . 25 T HA . 17199 1 249 . 1 1 25 25 THR HB H 1 4.179 0.006 . 1 . . . . 25 T HB . 17199 1 250 . 1 1 25 25 THR HG21 H 1 1.177 0.004 . 1 . . . . 25 T HG2 . 17199 1 251 . 1 1 25 25 THR HG22 H 1 1.177 0.004 . 1 . . . . 25 T HG2 . 17199 1 252 . 1 1 25 25 THR HG23 H 1 1.177 0.004 . 1 . . . . 25 T HG2 . 17199 1 253 . 1 1 25 25 THR C C 13 174.264 0.020 . 1 . . . . 25 T C . 17199 1 254 . 1 1 25 25 THR CA C 13 61.458 0.029 . 1 . . . . 25 T CA . 17199 1 255 . 1 1 25 25 THR CB C 13 70.803 0.017 . 1 . . . . 25 T CB . 17199 1 256 . 1 1 25 25 THR CG2 C 13 22.658 0.042 . 1 . . . . 25 T CG2 . 17199 1 257 . 1 1 25 25 THR N N 15 103.039 0.019 . 1 . . . . 25 T N . 17199 1 258 . 1 1 26 26 ASN H H 1 7.793 0.003 . 1 . . . . 26 N H . 17199 1 259 . 1 1 26 26 ASN HA H 1 4.460 0.037 . 1 . . . . 26 N HA . 17199 1 260 . 1 1 26 26 ASN HB2 H 1 3.166 0.004 . 2 . . . . 26 N HB2 . 17199 1 261 . 1 1 26 26 ASN HB3 H 1 2.616 0.005 . 2 . . . . 26 N HB3 . 17199 1 262 . 1 1 26 26 ASN C C 13 174.080 0.040 . 1 . . . . 26 N C . 17199 1 263 . 1 1 26 26 ASN CA C 13 54.293 0.068 . 1 . . . . 26 N CA . 17199 1 264 . 1 1 26 26 ASN CB C 13 37.710 0.035 . 1 . . . . 26 N CB . 17199 1 265 . 1 1 26 26 ASN N N 15 121.980 0.007 . 1 . . . . 26 N N . 17199 1 266 . 1 1 27 27 SER H H 1 8.123 0.006 . 1 . . . . 27 S H . 17199 1 267 . 1 1 27 27 SER HA H 1 5.191 0.004 . 1 . . . . 27 S HA . 17199 1 268 . 1 1 27 27 SER HB2 H 1 3.759 0.098 . 2 . . . . 27 S HB2 . 17199 1 269 . 1 1 27 27 SER HB3 H 1 3.582 0.008 . 2 . . . . 27 S HB3 . 17199 1 270 . 1 1 27 27 SER C C 13 173.325 0.026 . 1 . . . . 27 S C . 17199 1 271 . 1 1 27 27 SER CA C 13 57.573 0.054 . 1 . . . . 27 S CA . 17199 1 272 . 1 1 27 27 SER CB C 13 66.658 0.021 . 1 . . . . 27 S CB . 17199 1 273 . 1 1 27 27 SER N N 15 112.137 0.013 . 1 . . . . 27 S N . 17199 1 274 . 1 1 28 28 THR H H 1 8.376 0.007 . 1 . . . . 28 T H . 17199 1 275 . 1 1 28 28 THR HA H 1 4.692 0.008 . 1 . . . . 28 T HA . 17199 1 276 . 1 1 28 28 THR HB H 1 4.810 0.009 . 1 . . . . 28 T HB . 17199 1 277 . 1 1 28 28 THR HG21 H 1 1.277 0.005 . 1 . . . . 28 T HG2 . 17199 1 278 . 1 1 28 28 THR HG22 H 1 1.277 0.005 . 1 . . . . 28 T HG2 . 17199 1 279 . 1 1 28 28 THR HG23 H 1 1.277 0.005 . 1 . . . . 28 T HG2 . 17199 1 280 . 1 1 28 28 THR C C 13 176.240 0.017 . 1 . . . . 28 T C . 17199 1 281 . 1 1 28 28 THR CA C 13 59.669 0.034 . 1 . . . . 28 T CA . 17199 1 282 . 1 1 28 28 THR CB C 13 71.959 0.057 . 1 . . . . 28 T CB . 17199 1 283 . 1 1 28 28 THR CG2 C 13 21.671 0.047 . 1 . . . . 28 T CG2 . 17199 1 284 . 1 1 28 28 THR N N 15 109.858 0.014 . 1 . . . . 28 T N . 17199 1 285 . 1 1 29 29 GLU H H 1 9.520 0.006 . 1 . . . . 29 E H . 17199 1 286 . 1 1 29 29 GLU HA H 1 3.856 0.006 . 1 . . . . 29 E HA . 17199 1 287 . 1 1 29 29 GLU HB2 H 1 2.069 0.110 . 2 . . . . 29 E HB2 . 17199 1 288 . 1 1 29 29 GLU HB3 H 1 1.924 0.073 . 2 . . . . 29 E HB3 . 17199 1 289 . 1 1 29 29 GLU HG2 H 1 2.366 0.088 . 2 . . . . 29 E HG2 . 17199 1 290 . 1 1 29 29 GLU HG3 H 1 2.232 0.075 . 2 . . . . 29 E HG3 . 17199 1 291 . 1 1 29 29 GLU C C 13 178.059 0.001 . 1 . . . . 29 E C . 17199 1 292 . 1 1 29 29 GLU CA C 13 60.884 0.066 . 1 . . . . 29 E CA . 17199 1 293 . 1 1 29 29 GLU CB C 13 29.888 0.053 . 1 . . . . 29 E CB . 17199 1 294 . 1 1 29 29 GLU CG C 13 37.663 0.058 . 1 . . . . 29 E CG . 17199 1 295 . 1 1 29 29 GLU N N 15 120.741 0.011 . 1 . . . . 29 E N . 17199 1 296 . 1 1 30 30 GLN H H 1 8.718 0.005 . 1 . . . . 30 Q H . 17199 1 297 . 1 1 30 30 GLN HA H 1 3.911 0.007 . 1 . . . . 30 Q HA . 17199 1 298 . 1 1 30 30 GLN HB2 H 1 2.123 0.103 . 2 . . . . 30 Q HB2 . 17199 1 299 . 1 1 30 30 GLN HB3 H 1 2.011 0.071 . 2 . . . . 30 Q HB3 . 17199 1 300 . 1 1 30 30 GLN HG2 H 1 2.510 0.031 . 2 . . . . 30 Q HG2 . 17199 1 301 . 1 1 30 30 GLN HG3 H 1 2.421 0.005 . 2 . . . . 30 Q HG3 . 17199 1 302 . 1 1 30 30 GLN C C 13 178.669 0.027 . 1 . . . . 30 Q C . 17199 1 303 . 1 1 30 30 GLN CA C 13 59.922 0.050 . 1 . . . . 30 Q CA . 17199 1 304 . 1 1 30 30 GLN CB C 13 28.012 0.045 . 1 . . . . 30 Q CB . 17199 1 305 . 1 1 30 30 GLN CG C 13 34.024 0.033 . 1 . . . . 30 Q CG . 17199 1 306 . 1 1 30 30 GLN N N 15 117.618 0.019 . 1 . . . . 30 Q N . 17199 1 307 . 1 1 31 31 GLN H H 1 7.804 0.002 . 1 . . . . 31 Q H . 17199 1 308 . 1 1 31 31 GLN HA H 1 4.122 0.005 . 1 . . . . 31 Q HA . 17199 1 309 . 1 1 31 31 GLN HB2 H 1 2.452 0.009 . 2 . . . . 31 Q HB2 . 17199 1 310 . 1 1 31 31 GLN HB3 H 1 1.868 0.064 . 2 . . . . 31 Q HB3 . 17199 1 311 . 1 1 31 31 GLN HG2 H 1 2.508 0.015 . 2 . . . . 31 Q HG2 . 17199 1 312 . 1 1 31 31 GLN C C 13 180.009 0.006 . 1 . . . . 31 Q C . 17199 1 313 . 1 1 31 31 GLN CA C 13 58.673 0.045 . 1 . . . . 31 Q CA . 17199 1 314 . 1 1 31 31 GLN CB C 13 28.644 0.047 . 1 . . . . 31 Q CB . 17199 1 315 . 1 1 31 31 GLN CG C 13 34.553 0.053 . 1 . . . . 31 Q CG . 17199 1 316 . 1 1 31 31 GLN N N 15 119.005 0.010 . 1 . . . . 31 Q N . 17199 1 317 . 1 1 32 32 PHE H H 1 8.794 0.004 . 1 . . . . 32 F H . 17199 1 318 . 1 1 32 32 PHE HA H 1 4.796 0.006 . 1 . . . . 32 F HA . 17199 1 319 . 1 1 32 32 PHE HB2 H 1 3.213 0.014 . 2 . . . . 32 F HB2 . 17199 1 320 . 1 1 32 32 PHE HD1 H 1 7.231 0.000 . 3 . . . . 32 F HD1 . 17199 1 321 . 1 1 32 32 PHE HE1 H 1 7.125 0.000 . 3 . . . . 32 F HE1 . 17199 1 322 . 1 1 32 32 PHE C C 13 177.095 0.001 . 1 . . . . 32 F C . 17199 1 323 . 1 1 32 32 PHE CA C 13 57.507 0.067 . 1 . . . . 32 F CA . 17199 1 324 . 1 1 32 32 PHE CB C 13 38.018 0.043 . 1 . . . . 32 F CB . 17199 1 325 . 1 1 32 32 PHE N N 15 121.716 0.014 . 1 . . . . 32 F N . 17199 1 326 . 1 1 33 33 LEU H H 1 8.879 0.003 . 1 . . . . 33 L H . 17199 1 327 . 1 1 33 33 LEU HA H 1 3.772 0.004 . 1 . . . . 33 L HA . 17199 1 328 . 1 1 33 33 LEU HB2 H 1 2.073 0.005 . 2 . . . . 33 L HB2 . 17199 1 329 . 1 1 33 33 LEU HB3 H 1 1.319 0.006 . 2 . . . . 33 L HB3 . 17199 1 330 . 1 1 33 33 LEU HD11 H 1 0.922 0.006 . 2 . . . . 33 L HD1 . 17199 1 331 . 1 1 33 33 LEU HD12 H 1 0.922 0.006 . 2 . . . . 33 L HD1 . 17199 1 332 . 1 1 33 33 LEU HD13 H 1 0.922 0.006 . 2 . . . . 33 L HD1 . 17199 1 333 . 1 1 33 33 LEU HD21 H 1 0.837 0.026 . 2 . . . . 33 L HD2 . 17199 1 334 . 1 1 33 33 LEU HD22 H 1 0.837 0.026 . 2 . . . . 33 L HD2 . 17199 1 335 . 1 1 33 33 LEU HD23 H 1 0.837 0.026 . 2 . . . . 33 L HD2 . 17199 1 336 . 1 1 33 33 LEU HG H 1 1.579 0.059 . 1 . . . . 33 L HG . 17199 1 337 . 1 1 33 33 LEU C C 13 177.729 0.051 . 1 . . . . 33 L C . 17199 1 338 . 1 1 33 33 LEU CA C 13 58.776 0.020 . 1 . . . . 33 L CA . 17199 1 339 . 1 1 33 33 LEU CB C 13 40.932 0.079 . 1 . . . . 33 L CB . 17199 1 340 . 1 1 33 33 LEU CD1 C 13 26.657 0.087 . 2 . . . . 33 L CD1 . 17199 1 341 . 1 1 33 33 LEU CD2 C 13 23.556 0.030 . 2 . . . . 33 L CD2 . 17199 1 342 . 1 1 33 33 LEU CG C 13 27.031 0.108 . 1 . . . . 33 L CG . 17199 1 343 . 1 1 33 33 LEU N N 15 121.859 0.007 . 1 . . . . 33 L N . 17199 1 344 . 1 1 34 34 GLU H H 1 8.262 0.003 . 1 . . . . 34 E H . 17199 1 345 . 1 1 34 34 GLU HA H 1 4.058 0.008 . 1 . . . . 34 E HA . 17199 1 346 . 1 1 34 34 GLU HB2 H 1 2.127 0.005 . 2 . . . . 34 E HB2 . 17199 1 347 . 1 1 34 34 GLU HG2 H 1 2.445 0.085 . 2 . . . . 34 E HG2 . 17199 1 348 . 1 1 34 34 GLU HG3 H 1 2.381 0.095 . 2 . . . . 34 E HG3 . 17199 1 349 . 1 1 34 34 GLU C C 13 179.827 0.013 . 1 . . . . 34 E C . 17199 1 350 . 1 1 34 34 GLU CA C 13 59.756 0.056 . 1 . . . . 34 E CA . 17199 1 351 . 1 1 34 34 GLU CB C 13 29.255 0.054 . 1 . . . . 34 E CB . 17199 1 352 . 1 1 34 34 GLU CG C 13 36.508 0.075 . 1 . . . . 34 E CG . 17199 1 353 . 1 1 34 34 GLU N N 15 118.790 0.023 . 1 . . . . 34 E N . 17199 1 354 . 1 1 35 35 ALA H H 1 8.091 0.008 . 1 . . . . 35 A H . 17199 1 355 . 1 1 35 35 ALA HA H 1 4.219 0.063 . 1 . . . . 35 A HA . 17199 1 356 . 1 1 35 35 ALA HB1 H 1 1.656 0.012 . 1 . . . . 35 A HB . 17199 1 357 . 1 1 35 35 ALA HB2 H 1 1.656 0.012 . 1 . . . . 35 A HB . 17199 1 358 . 1 1 35 35 ALA HB3 H 1 1.656 0.012 . 1 . . . . 35 A HB . 17199 1 359 . 1 1 35 35 ALA C C 13 180.385 0.029 . 1 . . . . 35 A C . 17199 1 360 . 1 1 35 35 ALA CA C 13 55.385 0.033 . 1 . . . . 35 A CA . 17199 1 361 . 1 1 35 35 ALA CB C 13 18.180 0.022 . 1 . . . . 35 A CB . 17199 1 362 . 1 1 35 35 ALA N N 15 121.941 0.014 . 1 . . . . 35 A N . 17199 1 363 . 1 1 36 36 MET H H 1 8.642 0.007 . 1 . . . . 36 M H . 17199 1 364 . 1 1 36 36 MET HA H 1 4.067 0.008 . 1 . . . . 36 M HA . 17199 1 365 . 1 1 36 36 MET HB2 H 1 2.366 0.007 . 2 . . . . 36 M HB2 . 17199 1 366 . 1 1 36 36 MET HB3 H 1 1.565 0.007 . 2 . . . . 36 M HB3 . 17199 1 367 . 1 1 36 36 MET HG2 H 1 2.107 0.006 . 2 . . . . 36 M HG2 . 17199 1 368 . 1 1 36 36 MET HG3 H 1 1.581 0.009 . 2 . . . . 36 M HG3 . 17199 1 369 . 1 1 36 36 MET C C 13 178.995 0.009 . 1 . . . . 36 M C . 17199 1 370 . 1 1 36 36 MET CA C 13 57.873 0.045 . 1 . . . . 36 M CA . 17199 1 371 . 1 1 36 36 MET CB C 13 33.323 0.027 . 1 . . . . 36 M CB . 17199 1 372 . 1 1 36 36 MET CG C 13 34.917 0.046 . 1 . . . . 36 M CG . 17199 1 373 . 1 1 36 36 MET N N 15 118.387 0.014 . 1 . . . . 36 M N . 17199 1 374 . 1 1 37 37 GLU H H 1 9.017 0.004 . 1 . . . . 37 E H . 17199 1 375 . 1 1 37 37 GLU HA H 1 4.257 0.008 . 1 . . . . 37 E HA . 17199 1 376 . 1 1 37 37 GLU HB2 H 1 2.064 0.006 . 2 . . . . 37 E HB2 . 17199 1 377 . 1 1 37 37 GLU HG2 H 1 2.367 0.104 . 2 . . . . 37 E HG2 . 17199 1 378 . 1 1 37 37 GLU HG3 H 1 2.260 0.114 . 2 . . . . 37 E HG3 . 17199 1 379 . 1 1 37 37 GLU C C 13 180.158 0.017 . 1 . . . . 37 E C . 17199 1 380 . 1 1 37 37 GLU CA C 13 59.453 0.025 . 1 . . . . 37 E CA . 17199 1 381 . 1 1 37 37 GLU CB C 13 29.091 0.033 . 1 . . . . 37 E CB . 17199 1 382 . 1 1 37 37 GLU CG C 13 36.304 0.059 . 1 . . . . 37 E CG . 17199 1 383 . 1 1 37 37 GLU N N 15 120.092 0.009 . 1 . . . . 37 E N . 17199 1 384 . 1 1 38 38 SER H H 1 8.144 0.010 . 1 . . . . 38 S H . 17199 1 385 . 1 1 38 38 SER HA H 1 4.504 0.004 . 1 . . . . 38 S HA . 17199 1 386 . 1 1 38 38 SER HB2 H 1 4.106 0.015 . 2 . . . . 38 S HB2 . 17199 1 387 . 1 1 38 38 SER HB3 H 1 4.090 0.000 . 2 . . . . 38 S HB3 . 17199 1 388 . 1 1 38 38 SER C C 13 175.694 0.030 . 1 . . . . 38 S C . 17199 1 389 . 1 1 38 38 SER CA C 13 60.476 0.081 . 1 . . . . 38 S CA . 17199 1 390 . 1 1 38 38 SER CB C 13 63.615 0.032 . 1 . . . . 38 S CB . 17199 1 391 . 1 1 38 38 SER N N 15 113.361 0.025 . 1 . . . . 38 S N . 17199 1 392 . 1 1 39 39 THR H H 1 7.505 0.003 . 1 . . . . 39 T H . 17199 1 393 . 1 1 39 39 THR HA H 1 4.719 0.006 . 1 . . . . 39 T HA . 17199 1 394 . 1 1 39 39 THR HB H 1 4.630 0.007 . 1 . . . . 39 T HB . 17199 1 395 . 1 1 39 39 THR HG21 H 1 1.212 0.066 . 1 . . . . 39 T HG2 . 17199 1 396 . 1 1 39 39 THR HG22 H 1 1.212 0.066 . 1 . . . . 39 T HG2 . 17199 1 397 . 1 1 39 39 THR HG23 H 1 1.212 0.066 . 1 . . . . 39 T HG2 . 17199 1 398 . 1 1 39 39 THR C C 13 176.231 0.008 . 1 . . . . 39 T C . 17199 1 399 . 1 1 39 39 THR CA C 13 61.224 0.019 . 1 . . . . 39 T CA . 17199 1 400 . 1 1 39 39 THR CB C 13 70.237 0.038 . 1 . . . . 39 T CB . 17199 1 401 . 1 1 39 39 THR CG2 C 13 21.744 0.067 . 1 . . . . 39 T CG2 . 17199 1 402 . 1 1 39 39 THR N N 15 109.675 0.011 . 1 . . . . 39 T N . 17199 1 403 . 1 1 40 40 GLY H H 1 7.840 0.003 . 1 . . . . 40 G H . 17199 1 404 . 1 1 40 40 GLY HA2 H 1 4.054 0.065 . 2 . . . . 40 G HA2 . 17199 1 405 . 1 1 40 40 GLY HA3 H 1 3.943 0.004 . 2 . . . . 40 G HA3 . 17199 1 406 . 1 1 40 40 GLY C C 13 175.812 0.017 . 1 . . . . 40 G C . 17199 1 407 . 1 1 40 40 GLY CA C 13 46.571 0.040 . 1 . . . . 40 G CA . 17199 1 408 . 1 1 40 40 GLY N N 15 110.848 0.012 . 1 . . . . 40 G N . 17199 1 409 . 1 1 41 41 GLY H H 1 8.986 0.002 . 1 . . . . 41 G H . 17199 1 410 . 1 1 41 41 GLY HA2 H 1 4.018 0.005 . 2 . . . . 41 G HA2 . 17199 1 411 . 1 1 41 41 GLY HA3 H 1 3.337 0.006 . 2 . . . . 41 G HA3 . 17199 1 412 . 1 1 41 41 GLY C C 13 173.237 0.013 . 1 . . . . 41 G C . 17199 1 413 . 1 1 41 41 GLY CA C 13 45.856 0.029 . 1 . . . . 41 G CA . 17199 1 414 . 1 1 41 41 GLY N N 15 106.475 0.011 . 1 . . . . 41 G N . 17199 1 415 . 1 1 42 42 ARG H H 1 7.004 0.008 . 1 . . . . 42 R H . 17199 1 416 . 1 1 42 42 ARG HA H 1 4.654 0.006 . 1 . . . . 42 R HA . 17199 1 417 . 1 1 42 42 ARG HB2 H 1 2.041 0.063 . 2 . . . . 42 R HB2 . 17199 1 418 . 1 1 42 42 ARG HB3 H 1 1.908 0.035 . 2 . . . . 42 R HB3 . 17199 1 419 . 1 1 42 42 ARG HD2 H 1 3.319 0.010 . 2 . . . . 42 R HD2 . 17199 1 420 . 1 1 42 42 ARG HG2 H 1 1.784 0.022 . 2 . . . . 42 R HG2 . 17199 1 421 . 1 1 42 42 ARG C C 13 176.485 0.006 . 1 . . . . 42 R C . 17199 1 422 . 1 1 42 42 ARG CA C 13 54.926 0.034 . 1 . . . . 42 R CA . 17199 1 423 . 1 1 42 42 ARG CB C 13 29.762 0.053 . 1 . . . . 42 R CB . 17199 1 424 . 1 1 42 42 ARG CD C 13 43.585 0.065 . 1 . . . . 42 R CD . 17199 1 425 . 1 1 42 42 ARG CG C 13 26.835 0.033 . 1 . . . . 42 R CG . 17199 1 426 . 1 1 42 42 ARG N N 15 119.130 0.007 . 1 . . . . 42 R N . 17199 1 427 . 1 1 43 43 VAL H H 1 8.671 0.005 . 1 . . . . 43 V H . 17199 1 428 . 1 1 43 43 VAL HA H 1 3.971 0.005 . 1 . . . . 43 V HA . 17199 1 429 . 1 1 43 43 VAL HB H 1 2.187 0.005 . 1 . . . . 43 V HB . 17199 1 430 . 1 1 43 43 VAL HG11 H 1 1.246 0.003 . 2 . . . . 43 V HG1 . 17199 1 431 . 1 1 43 43 VAL HG12 H 1 1.246 0.003 . 2 . . . . 43 V HG1 . 17199 1 432 . 1 1 43 43 VAL HG13 H 1 1.246 0.003 . 2 . . . . 43 V HG1 . 17199 1 433 . 1 1 43 43 VAL HG21 H 1 1.054 0.007 . 2 . . . . 43 V HG2 . 17199 1 434 . 1 1 43 43 VAL HG22 H 1 1.054 0.007 . 2 . . . . 43 V HG2 . 17199 1 435 . 1 1 43 43 VAL HG23 H 1 1.054 0.007 . 2 . . . . 43 V HG2 . 17199 1 436 . 1 1 43 43 VAL C C 13 176.764 0.064 . 1 . . . . 43 V C . 17199 1 437 . 1 1 43 43 VAL CA C 13 66.772 0.017 . 1 . . . . 43 V CA . 17199 1 438 . 1 1 43 43 VAL CB C 13 32.372 0.053 . 1 . . . . 43 V CB . 17199 1 439 . 1 1 43 43 VAL CG1 C 13 23.217 0.025 . 2 . . . . 43 V CG1 . 17199 1 440 . 1 1 43 43 VAL CG2 C 13 21.727 0.052 . 2 . . . . 43 V CG2 . 17199 1 441 . 1 1 43 43 VAL N N 15 128.035 0.021 . 1 . . . . 43 V N . 17199 1 442 . 1 1 44 44 ARG H H 1 9.250 0.004 . 1 . . . . 44 R H . 17199 1 443 . 1 1 44 44 ARG HA H 1 3.985 0.039 . 1 . . . . 44 R HA . 17199 1 444 . 1 1 44 44 ARG HB2 H 1 1.944 0.011 . 2 . . . . 44 R HB2 . 17199 1 445 . 1 1 44 44 ARG HB3 H 1 1.862 0.009 . 2 . . . . 44 R HB3 . 17199 1 446 . 1 1 44 44 ARG HG2 H 1 1.627 0.007 . 2 . . . . 44 R HG2 . 17199 1 447 . 1 1 44 44 ARG C C 13 179.085 0.009 . 1 . . . . 44 R C . 17199 1 448 . 1 1 44 44 ARG CA C 13 60.403 0.046 . 1 . . . . 44 R CA . 17199 1 449 . 1 1 44 44 ARG CB C 13 29.671 0.075 . 1 . . . . 44 R CB . 17199 1 450 . 1 1 44 44 ARG CD C 13 43.529 0.095 . 1 . . . . 44 R CD . 17199 1 451 . 1 1 44 44 ARG CG C 13 28.192 0.030 . 1 . . . . 44 R CG . 17199 1 452 . 1 1 44 44 ARG N N 15 118.400 0.022 . 1 . . . . 44 R N . 17199 1 453 . 1 1 45 45 ILE H H 1 7.074 0.006 . 1 . . . . 45 I H . 17199 1 454 . 1 1 45 45 ILE HA H 1 3.942 0.006 . 1 . . . . 45 I HA . 17199 1 455 . 1 1 45 45 ILE HB H 1 2.074 0.007 . 1 . . . . 45 I HB . 17199 1 456 . 1 1 45 45 ILE HD11 H 1 0.901 0.007 . 1 . . . . 45 I HD1 . 17199 1 457 . 1 1 45 45 ILE HD12 H 1 0.901 0.007 . 1 . . . . 45 I HD1 . 17199 1 458 . 1 1 45 45 ILE HD13 H 1 0.901 0.007 . 1 . . . . 45 I HD1 . 17199 1 459 . 1 1 45 45 ILE HG12 H 1 1.545 0.104 . 2 . . . . 45 I HG12 . 17199 1 460 . 1 1 45 45 ILE HG13 H 1 1.383 0.069 . 2 . . . . 45 I HG13 . 17199 1 461 . 1 1 45 45 ILE HG21 H 1 1.096 0.005 . 1 . . . . 45 I HG2 . 17199 1 462 . 1 1 45 45 ILE HG22 H 1 1.096 0.005 . 1 . . . . 45 I HG2 . 17199 1 463 . 1 1 45 45 ILE HG23 H 1 1.096 0.005 . 1 . . . . 45 I HG2 . 17199 1 464 . 1 1 45 45 ILE C C 13 178.204 0.004 . 1 . . . . 45 I C . 17199 1 465 . 1 1 45 45 ILE CA C 13 62.827 0.027 . 1 . . . . 45 I CA . 17199 1 466 . 1 1 45 45 ILE CB C 13 36.942 0.058 . 1 . . . . 45 I CB . 17199 1 467 . 1 1 45 45 ILE CD1 C 13 10.996 0.030 . 1 . . . . 45 I CD1 . 17199 1 468 . 1 1 45 45 ILE CG1 C 13 27.965 0.046 . 1 . . . . 45 I CG1 . 17199 1 469 . 1 1 45 45 ILE CG2 C 13 17.968 0.019 . 1 . . . . 45 I CG2 . 17199 1 470 . 1 1 45 45 ILE N N 15 118.315 0.018 . 1 . . . . 45 I N . 17199 1 471 . 1 1 46 46 ALA H H 1 8.345 0.006 . 1 . . . . 46 A H . 17199 1 472 . 1 1 46 46 ALA HA H 1 3.919 0.006 . 1 . . . . 46 A HA . 17199 1 473 . 1 1 46 46 ALA HB1 H 1 1.480 0.006 . 1 . . . . 46 A HB . 17199 1 474 . 1 1 46 46 ALA HB2 H 1 1.480 0.006 . 1 . . . . 46 A HB . 17199 1 475 . 1 1 46 46 ALA HB3 H 1 1.480 0.006 . 1 . . . . 46 A HB . 17199 1 476 . 1 1 46 46 ALA C C 13 179.249 0.007 . 1 . . . . 46 A C . 17199 1 477 . 1 1 46 46 ALA CA C 13 55.944 0.023 . 1 . . . . 46 A CA . 17199 1 478 . 1 1 46 46 ALA CB C 13 18.096 0.020 . 1 . . . . 46 A CB . 17199 1 479 . 1 1 46 46 ALA N N 15 124.413 0.015 . 1 . . . . 46 A N . 17199 1 480 . 1 1 47 47 ILE H H 1 8.679 0.002 . 1 . . . . 47 I H . 17199 1 481 . 1 1 47 47 ILE HA H 1 3.427 0.005 . 1 . . . . 47 I HA . 17199 1 482 . 1 1 47 47 ILE HB H 1 1.882 0.007 . 1 . . . . 47 I HB . 17199 1 483 . 1 1 47 47 ILE HD11 H 1 0.812 0.006 . 1 . . . . 47 I HD1 . 17199 1 484 . 1 1 47 47 ILE HD12 H 1 0.812 0.006 . 1 . . . . 47 I HD1 . 17199 1 485 . 1 1 47 47 ILE HD13 H 1 0.812 0.006 . 1 . . . . 47 I HD1 . 17199 1 486 . 1 1 47 47 ILE HG12 H 1 1.988 0.008 . 2 . . . . 47 I HG12 . 17199 1 487 . 1 1 47 47 ILE HG13 H 1 0.684 0.005 . 2 . . . . 47 I HG13 . 17199 1 488 . 1 1 47 47 ILE HG21 H 1 0.900 0.007 . 1 . . . . 47 I HG2 . 17199 1 489 . 1 1 47 47 ILE HG22 H 1 0.900 0.007 . 1 . . . . 47 I HG2 . 17199 1 490 . 1 1 47 47 ILE HG23 H 1 0.900 0.007 . 1 . . . . 47 I HG2 . 17199 1 491 . 1 1 47 47 ILE C C 13 177.131 0.010 . 1 . . . . 47 I C . 17199 1 492 . 1 1 47 47 ILE CA C 13 66.463 0.011 . 1 . . . . 47 I CA . 17199 1 493 . 1 1 47 47 ILE CB C 13 38.182 0.118 . 1 . . . . 47 I CB . 17199 1 494 . 1 1 47 47 ILE CD1 C 13 14.732 0.051 . 1 . . . . 47 I CD1 . 17199 1 495 . 1 1 47 47 ILE CG1 C 13 29.865 0.034 . 1 . . . . 47 I CG1 . 17199 1 496 . 1 1 47 47 ILE CG2 C 13 17.241 0.053 . 1 . . . . 47 I CG2 . 17199 1 497 . 1 1 47 47 ILE N N 15 116.893 0.012 . 1 . . . . 47 I N . 17199 1 498 . 1 1 48 48 ALA H H 1 7.368 0.005 . 1 . . . . 48 A H . 17199 1 499 . 1 1 48 48 ALA HA H 1 4.091 0.004 . 1 . . . . 48 A HA . 17199 1 500 . 1 1 48 48 ALA HB1 H 1 1.586 0.004 . 1 . . . . 48 A HB . 17199 1 501 . 1 1 48 48 ALA HB2 H 1 1.586 0.004 . 1 . . . . 48 A HB . 17199 1 502 . 1 1 48 48 ALA HB3 H 1 1.586 0.004 . 1 . . . . 48 A HB . 17199 1 503 . 1 1 48 48 ALA C C 13 180.832 0.002 . 1 . . . . 48 A C . 17199 1 504 . 1 1 48 48 ALA CA C 13 55.507 0.052 . 1 . . . . 48 A CA . 17199 1 505 . 1 1 48 48 ALA CB C 13 17.800 0.027 . 1 . . . . 48 A CB . 17199 1 506 . 1 1 48 48 ALA N N 15 120.655 0.012 . 1 . . . . 48 A N . 17199 1 507 . 1 1 49 49 LYS H H 1 8.166 0.005 . 1 . . . . 49 K H . 17199 1 508 . 1 1 49 49 LYS HA H 1 4.097 0.005 . 1 . . . . 49 K HA . 17199 1 509 . 1 1 49 49 LYS HB2 H 1 2.040 0.005 . 2 . . . . 49 K HB2 . 17199 1 510 . 1 1 49 49 LYS HD2 H 1 1.628 0.004 . 2 . . . . 49 K HD2 . 17199 1 511 . 1 1 49 49 LYS HE2 H 1 2.979 0.005 . 2 . . . . 49 K HE2 . 17199 1 512 . 1 1 49 49 LYS HG2 H 1 1.573 0.048 . 2 . . . . 49 K HG2 . 17199 1 513 . 1 1 49 49 LYS HG3 H 1 1.477 0.006 . 2 . . . . 49 K HG3 . 17199 1 514 . 1 1 49 49 LYS C C 13 180.163 0.013 . 1 . . . . 49 K C . 17199 1 515 . 1 1 49 49 LYS CA C 13 59.515 0.028 . 1 . . . . 49 K CA . 17199 1 516 . 1 1 49 49 LYS CB C 13 32.237 0.075 . 1 . . . . 49 K CB . 17199 1 517 . 1 1 49 49 LYS CD C 13 29.548 0.043 . 1 . . . . 49 K CD . 17199 1 518 . 1 1 49 49 LYS CE C 13 42.008 0.060 . 1 . . . . 49 K CE . 17199 1 519 . 1 1 49 49 LYS CG C 13 25.202 0.033 . 1 . . . . 49 K CG . 17199 1 520 . 1 1 49 49 LYS N N 15 119.542 0.022 . 1 . . . . 49 K N . 17199 1 521 . 1 1 50 50 LEU H H 1 8.202 0.003 . 1 . . . . 50 L H . 17199 1 522 . 1 1 50 50 LEU HA H 1 4.088 0.006 . 1 . . . . 50 L HA . 17199 1 523 . 1 1 50 50 LEU HB2 H 1 2.067 0.004 . 2 . . . . 50 L HB2 . 17199 1 524 . 1 1 50 50 LEU HB3 H 1 1.405 0.008 . 2 . . . . 50 L HB3 . 17199 1 525 . 1 1 50 50 LEU HD11 H 1 0.666 0.004 . 2 . . . . 50 L HD1 . 17199 1 526 . 1 1 50 50 LEU HD12 H 1 0.666 0.004 . 2 . . . . 50 L HD1 . 17199 1 527 . 1 1 50 50 LEU HD13 H 1 0.666 0.004 . 2 . . . . 50 L HD1 . 17199 1 528 . 1 1 50 50 LEU HD21 H 1 0.829 0.005 . 2 . . . . 50 L HD2 . 17199 1 529 . 1 1 50 50 LEU HD22 H 1 0.829 0.005 . 2 . . . . 50 L HD2 . 17199 1 530 . 1 1 50 50 LEU HD23 H 1 0.829 0.005 . 2 . . . . 50 L HD2 . 17199 1 531 . 1 1 50 50 LEU HG H 1 1.894 0.007 . 1 . . . . 50 L HG . 17199 1 532 . 1 1 50 50 LEU C C 13 180.192 0.008 . 1 . . . . 50 L C . 17199 1 533 . 1 1 50 50 LEU CA C 13 57.725 0.032 . 1 . . . . 50 L CA . 17199 1 534 . 1 1 50 50 LEU CB C 13 41.429 0.059 . 1 . . . . 50 L CB . 17199 1 535 . 1 1 50 50 LEU CD1 C 13 25.408 0.040 . 2 . . . . 50 L CD1 . 17199 1 536 . 1 1 50 50 LEU CD2 C 13 21.656 0.034 . 2 . . . . 50 L CD2 . 17199 1 537 . 1 1 50 50 LEU CG C 13 25.989 0.144 . 1 . . . . 50 L CG . 17199 1 538 . 1 1 50 50 LEU N N 15 120.619 0.012 . 1 . . . . 50 L N . 17199 1 539 . 1 1 51 51 LEU H H 1 8.319 0.003 . 1 . . . . 51 L H . 17199 1 540 . 1 1 51 51 LEU HA H 1 4.162 0.008 . 1 . . . . 51 L HA . 17199 1 541 . 1 1 51 51 LEU HB2 H 1 1.855 0.007 . 2 . . . . 51 L HB2 . 17199 1 542 . 1 1 51 51 LEU HB3 H 1 1.555 0.008 . 2 . . . . 51 L HB3 . 17199 1 543 . 1 1 51 51 LEU HD11 H 1 0.838 0.005 . 2 . . . . 51 L HD1 . 17199 1 544 . 1 1 51 51 LEU HD12 H 1 0.838 0.005 . 2 . . . . 51 L HD1 . 17199 1 545 . 1 1 51 51 LEU HD13 H 1 0.838 0.005 . 2 . . . . 51 L HD1 . 17199 1 546 . 1 1 51 51 LEU HD21 H 1 0.715 0.009 . 2 . . . . 51 L HD2 . 17199 1 547 . 1 1 51 51 LEU HD22 H 1 0.715 0.009 . 2 . . . . 51 L HD2 . 17199 1 548 . 1 1 51 51 LEU HD23 H 1 0.715 0.009 . 2 . . . . 51 L HD2 . 17199 1 549 . 1 1 51 51 LEU HG H 1 1.724 0.007 . 1 . . . . 51 L HG . 17199 1 550 . 1 1 51 51 LEU C C 13 178.990 0.011 . 1 . . . . 51 L C . 17199 1 551 . 1 1 51 51 LEU CA C 13 56.759 0.085 . 1 . . . . 51 L CA . 17199 1 552 . 1 1 51 51 LEU CB C 13 42.027 0.052 . 1 . . . . 51 L CB . 17199 1 553 . 1 1 51 51 LEU CD1 C 13 25.942 0.042 . 2 . . . . 51 L CD1 . 17199 1 554 . 1 1 51 51 LEU CD2 C 13 23.118 0.046 . 2 . . . . 51 L CD2 . 17199 1 555 . 1 1 51 51 LEU CG C 13 26.687 0.069 . 1 . . . . 51 L CG . 17199 1 556 . 1 1 51 51 LEU N N 15 118.592 0.026 . 1 . . . . 51 L N . 17199 1 557 . 1 1 52 52 SER H H 1 7.849 0.003 . 1 . . . . 52 S H . 17199 1 558 . 1 1 52 52 SER HA H 1 4.365 0.005 . 1 . . . . 52 S HA . 17199 1 559 . 1 1 52 52 SER HB2 H 1 4.057 0.010 . 2 . . . . 52 S HB2 . 17199 1 560 . 1 1 52 52 SER C C 13 175.108 0.021 . 1 . . . . 52 S C . 17199 1 561 . 1 1 52 52 SER CA C 13 60.153 0.070 . 1 . . . . 52 S CA . 17199 1 562 . 1 1 52 52 SER CB C 13 63.391 0.045 . 1 . . . . 52 S CB . 17199 1 563 . 1 1 52 52 SER N N 15 114.795 0.012 . 1 . . . . 52 S N . 17199 1 564 . 1 1 53 53 LYS H H 1 7.480 0.007 . 1 . . . . 53 K H . 17199 1 565 . 1 1 53 53 LYS HA H 1 4.335 0.042 . 1 . . . . 53 K HA . 17199 1 566 . 1 1 53 53 LYS HB2 H 1 1.955 0.025 . 2 . . . . 53 K HB2 . 17199 1 567 . 1 1 53 53 LYS HB3 H 1 1.919 0.003 . 2 . . . . 53 K HB3 . 17199 1 568 . 1 1 53 53 LYS HD2 H 1 1.734 0.005 . 2 . . . . 53 K HD2 . 17199 1 569 . 1 1 53 53 LYS HE2 H 1 3.051 0.007 . 2 . . . . 53 K HE2 . 17199 1 570 . 1 1 53 53 LYS HG2 H 1 1.547 0.007 . 2 . . . . 53 K HG2 . 17199 1 571 . 1 1 53 53 LYS C C 13 176.925 0.015 . 1 . . . . 53 K C . 17199 1 572 . 1 1 53 53 LYS CA C 13 56.810 0.038 . 1 . . . . 53 K CA . 17199 1 573 . 1 1 53 53 LYS CB C 13 32.511 0.054 . 1 . . . . 53 K CB . 17199 1 574 . 1 1 53 53 LYS CD C 13 29.031 0.036 . 1 . . . . 53 K CD . 17199 1 575 . 1 1 53 53 LYS CE C 13 42.227 0.098 . 1 . . . . 53 K CE . 17199 1 576 . 1 1 53 53 LYS CG C 13 24.476 0.029 . 1 . . . . 53 K CG . 17199 1 577 . 1 1 53 53 LYS N N 15 120.343 0.010 . 1 . . . . 53 K N . 17199 1 578 . 1 1 54 54 GLN H H 1 7.996 0.004 . 1 . . . . 54 Q H . 17199 1 579 . 1 1 54 54 GLN HA H 1 4.446 0.005 . 1 . . . . 54 Q HA . 17199 1 580 . 1 1 54 54 GLN HB2 H 1 2.183 0.050 . 2 . . . . 54 Q HB2 . 17199 1 581 . 1 1 54 54 GLN HB3 H 1 2.080 0.009 . 2 . . . . 54 Q HB3 . 17199 1 582 . 1 1 54 54 GLN HG2 H 1 2.440 0.011 . 2 . . . . 54 Q HG2 . 17199 1 583 . 1 1 54 54 GLN C C 13 176.548 0.016 . 1 . . . . 54 Q C . 17199 1 584 . 1 1 54 54 GLN CA C 13 56.160 0.023 . 1 . . . . 54 Q CA . 17199 1 585 . 1 1 54 54 GLN CB C 13 29.334 0.066 . 1 . . . . 54 Q CB . 17199 1 586 . 1 1 54 54 GLN CG C 13 33.949 0.052 . 1 . . . . 54 Q CG . 17199 1 587 . 1 1 54 54 GLN N N 15 119.456 0.034 . 1 . . . . 54 Q N . 17199 1 588 . 1 1 55 55 THR H H 1 8.174 0.002 . 1 . . . . 55 T H . 17199 1 589 . 1 1 55 55 THR HA H 1 4.430 0.017 . 1 . . . . 55 T HA . 17199 1 590 . 1 1 55 55 THR HB H 1 4.321 0.010 . 1 . . . . 55 T HB . 17199 1 591 . 1 1 55 55 THR HG21 H 1 1.240 0.008 . 1 . . . . 55 T HG2 . 17199 1 592 . 1 1 55 55 THR HG22 H 1 1.240 0.008 . 1 . . . . 55 T HG2 . 17199 1 593 . 1 1 55 55 THR HG23 H 1 1.240 0.008 . 1 . . . . 55 T HG2 . 17199 1 594 . 1 1 55 55 THR C C 13 174.952 0.032 . 1 . . . . 55 T C . 17199 1 595 . 1 1 55 55 THR CA C 13 61.943 0.033 . 1 . . . . 55 T CA . 17199 1 596 . 1 1 55 55 THR CB C 13 69.835 0.048 . 1 . . . . 55 T CB . 17199 1 597 . 1 1 55 55 THR CG2 C 13 21.581 0.079 . 1 . . . . 55 T CG2 . 17199 1 598 . 1 1 55 55 THR N N 15 114.183 0.013 . 1 . . . . 55 T N . 17199 1 599 . 1 1 56 56 SER H H 1 8.366 0.006 . 1 . . . . 56 S H . 17199 1 600 . 1 1 56 56 SER HA H 1 4.516 0.007 . 1 . . . . 56 S HA . 17199 1 601 . 1 1 56 56 SER HB2 H 1 3.932 0.008 . 2 . . . . 56 S HB2 . 17199 1 602 . 1 1 56 56 SER C C 13 175.211 0.034 . 1 . . . . 56 S C . 17199 1 603 . 1 1 56 56 SER CA C 13 58.684 0.045 . 1 . . . . 56 S CA . 17199 1 604 . 1 1 56 56 SER CB C 13 63.939 0.043 . 1 . . . . 56 S CB . 17199 1 605 . 1 1 56 56 SER N N 15 117.870 0.013 . 1 . . . . 56 S N . 17199 1 606 . 1 1 57 57 GLY H H 1 8.479 0.003 . 1 . . . . 57 G H . 17199 1 607 . 1 1 57 57 GLY HA2 H 1 4.027 0.009 . 2 . . . . 57 G HA2 . 17199 1 608 . 1 1 57 57 GLY C C 13 174.892 0.000 . 1 . . . . 57 G C . 17199 1 609 . 1 1 57 57 GLY CA C 13 45.453 0.000 . 1 . . . . 57 G CA . 17199 1 610 . 1 1 57 57 GLY N N 15 110.758 0.018 . 1 . . . . 57 G N . 17199 1 611 . 1 1 62 62 SER HA H 1 4.477 0.005 . 1 . . . . 62 S HA . 17199 1 612 . 1 1 62 62 SER HB2 H 1 3.897 0.001 . 2 . . . . 62 S HB2 . 17199 1 613 . 1 1 62 62 SER C C 13 174.841 0.036 . 1 . . . . 62 S C . 17199 1 614 . 1 1 62 62 SER CA C 13 58.451 0.048 . 1 . . . . 62 S CA . 17199 1 615 . 1 1 62 62 SER CB C 13 64.081 0.057 . 1 . . . . 62 S CB . 17199 1 616 . 1 1 63 63 LYS H H 1 8.432 0.002 . 1 . . . . 63 K H . 17199 1 617 . 1 1 63 63 LYS HA H 1 4.362 0.005 . 1 . . . . 63 K HA . 17199 1 618 . 1 1 63 63 LYS HB2 H 1 1.862 0.040 . 2 . . . . 63 K HB2 . 17199 1 619 . 1 1 63 63 LYS HB3 H 1 1.777 0.011 . 2 . . . . 63 K HB3 . 17199 1 620 . 1 1 63 63 LYS HD2 H 1 1.690 0.006 . 2 . . . . 63 K HD2 . 17199 1 621 . 1 1 63 63 LYS HE2 H 1 3.008 0.002 . 2 . . . . 63 K HE2 . 17199 1 622 . 1 1 63 63 LYS HG2 H 1 1.442 0.009 . 2 . . . . 63 K HG2 . 17199 1 623 . 1 1 63 63 LYS C C 13 176.736 0.000 . 1 . . . . 63 K C . 17199 1 624 . 1 1 63 63 LYS CA C 13 56.463 0.045 . 1 . . . . 63 K CA . 17199 1 625 . 1 1 63 63 LYS CB C 13 32.888 0.096 . 1 . . . . 63 K CB . 17199 1 626 . 1 1 63 63 LYS CD C 13 29.078 0.037 . 1 . . . . 63 K CD . 17199 1 627 . 1 1 63 63 LYS CE C 13 42.215 0.011 . 1 . . . . 63 K CE . 17199 1 628 . 1 1 63 63 LYS CG C 13 24.770 0.027 . 1 . . . . 63 K CG . 17199 1 629 . 1 1 63 63 LYS N N 15 123.124 0.030 . 1 . . . . 63 K N . 17199 1 630 . 1 1 64 64 LEU H H 1 8.257 0.007 . 1 . . . . 64 L H . 17199 1 631 . 1 1 64 64 LEU HA H 1 4.349 0.043 . 1 . . . . 64 L HA . 17199 1 632 . 1 1 64 64 LEU HB2 H 1 1.638 0.019 . 2 . . . . 64 L HB2 . 17199 1 633 . 1 1 64 64 LEU HD11 H 1 0.933 0.010 . 2 . . . . 64 L HD1 . 17199 1 634 . 1 1 64 64 LEU HD12 H 1 0.933 0.010 . 2 . . . . 64 L HD1 . 17199 1 635 . 1 1 64 64 LEU HD13 H 1 0.933 0.010 . 2 . . . . 64 L HD1 . 17199 1 636 . 1 1 64 64 LEU HD21 H 1 0.878 0.007 . 2 . . . . 64 L HD2 . 17199 1 637 . 1 1 64 64 LEU HD22 H 1 0.878 0.007 . 2 . . . . 64 L HD2 . 17199 1 638 . 1 1 64 64 LEU HD23 H 1 0.878 0.007 . 2 . . . . 64 L HD2 . 17199 1 639 . 1 1 64 64 LEU HG H 1 1.630 0.027 . 1 . . . . 64 L HG . 17199 1 640 . 1 1 64 64 LEU C C 13 177.915 0.028 . 1 . . . . 64 L C . 17199 1 641 . 1 1 64 64 LEU CA C 13 55.369 0.033 . 1 . . . . 64 L CA . 17199 1 642 . 1 1 64 64 LEU CB C 13 42.271 0.034 . 1 . . . . 64 L CB . 17199 1 643 . 1 1 64 64 LEU CD1 C 13 24.925 0.070 . 2 . . . . 64 L CD1 . 17199 1 644 . 1 1 64 64 LEU CD2 C 13 23.420 0.068 . 2 . . . . 64 L CD2 . 17199 1 645 . 1 1 64 64 LEU CG C 13 27.038 0.041 . 1 . . . . 64 L CG . 17199 1 646 . 1 1 64 64 LEU N N 15 122.630 0.012 . 1 . . . . 64 L N . 17199 1 647 . 1 1 65 65 GLY H H 1 8.415 0.003 . 1 . . . . 65 G H . 17199 1 648 . 1 1 65 65 GLY HA2 H 1 3.991 0.007 . 2 . . . . 65 G HA2 . 17199 1 649 . 1 1 65 65 GLY C C 13 174.800 0.000 . 1 . . . . 65 G C . 17199 1 650 . 1 1 65 65 GLY CA C 13 45.340 0.000 . 1 . . . . 65 G CA . 17199 1 651 . 1 1 65 65 GLY N N 15 109.734 0.005 . 1 . . . . 65 G N . 17199 1 652 . 1 1 71 71 ARG HA H 1 4.349 0.006 . 1 . . . . 71 R HA . 17199 1 653 . 1 1 71 71 ARG HB2 H 1 1.900 0.012 . 2 . . . . 71 R HB2 . 17199 1 654 . 1 1 71 71 ARG HB3 H 1 1.803 0.003 . 2 . . . . 71 R HB3 . 17199 1 655 . 1 1 71 71 ARG HD2 H 1 3.205 0.016 . 2 . . . . 71 R HD2 . 17199 1 656 . 1 1 71 71 ARG HG2 H 1 1.616 0.092 . 2 . . . . 71 R HG2 . 17199 1 657 . 1 1 71 71 ARG C C 13 176.577 0.000 . 1 . . . . 71 R C . 17199 1 658 . 1 1 71 71 ARG CA C 13 56.394 0.074 . 1 . . . . 71 R CA . 17199 1 659 . 1 1 71 71 ARG CB C 13 30.748 0.073 . 1 . . . . 71 R CB . 17199 1 660 . 1 1 71 71 ARG CD C 13 43.301 0.042 . 1 . . . . 71 R CD . 17199 1 661 . 1 1 71 71 ARG CG C 13 27.184 0.061 . 1 . . . . 71 R CG . 17199 1 662 . 1 1 72 72 LYS H H 1 8.362 0.002 . 1 . . . . 72 K H . 17199 1 663 . 1 1 72 72 LYS HA H 1 4.300 0.010 . 1 . . . . 72 K HA . 17199 1 664 . 1 1 72 72 LYS HB2 H 1 1.793 0.007 . 2 . . . . 72 K HB2 . 17199 1 665 . 1 1 72 72 LYS HE2 H 1 2.986 0.000 . 2 . . . . 72 K HE2 . 17199 1 666 . 1 1 72 72 LYS HG2 H 1 1.440 0.005 . 2 . . . . 72 K HG2 . 17199 1 667 . 1 1 72 72 LYS C C 13 176.297 0.000 . 1 . . . . 72 K C . 17199 1 668 . 1 1 72 72 LYS CA C 13 56.730 0.060 . 1 . . . . 72 K CA . 17199 1 669 . 1 1 72 72 LYS CB C 13 32.995 0.022 . 1 . . . . 72 K CB . 17199 1 670 . 1 1 72 72 LYS CE C 13 41.458 0.000 . 1 . . . . 72 K CE . 17199 1 671 . 1 1 72 72 LYS CG C 13 24.758 0.062 . 1 . . . . 72 K CG . 17199 1 672 . 1 1 72 72 LYS N N 15 122.375 0.017 . 1 . . . . 72 K N . 17199 1 673 . 1 1 73 73 ASP H H 1 8.323 0.002 . 1 . . . . 73 D H . 17199 1 674 . 1 1 73 73 ASP HA H 1 4.576 0.007 . 1 . . . . 73 D HA . 17199 1 675 . 1 1 73 73 ASP HB2 H 1 2.672 0.019 . 2 . . . . 73 D HB2 . 17199 1 676 . 1 1 73 73 ASP HB3 H 1 2.637 0.011 . 2 . . . . 73 D HB3 . 17199 1 677 . 1 1 73 73 ASP C C 13 176.148 0.000 . 1 . . . . 73 D C . 17199 1 678 . 1 1 73 73 ASP CA C 13 54.429 0.033 . 1 . . . . 73 D CA . 17199 1 679 . 1 1 73 73 ASP CB C 13 41.226 0.028 . 1 . . . . 73 D CB . 17199 1 680 . 1 1 73 73 ASP N N 15 120.732 0.042 . 1 . . . . 73 D N . 17199 1 681 . 1 1 74 74 LEU H H 1 7.998 0.009 . 1 . . . . 74 L H . 17199 1 682 . 1 1 74 74 LEU HA H 1 4.213 0.008 . 1 . . . . 74 L HA . 17199 1 683 . 1 1 74 74 LEU HB2 H 1 1.464 0.053 . 2 . . . . 74 L HB2 . 17199 1 684 . 1 1 74 74 LEU HB3 H 1 1.361 0.042 . 2 . . . . 74 L HB3 . 17199 1 685 . 1 1 74 74 LEU HD11 H 1 0.793 0.008 . 2 . . . . 74 L HD1 . 17199 1 686 . 1 1 74 74 LEU HD12 H 1 0.793 0.008 . 2 . . . . 74 L HD1 . 17199 1 687 . 1 1 74 74 LEU HD13 H 1 0.793 0.008 . 2 . . . . 74 L HD1 . 17199 1 688 . 1 1 74 74 LEU HD21 H 1 0.749 0.006 . 2 . . . . 74 L HD2 . 17199 1 689 . 1 1 74 74 LEU HD22 H 1 0.749 0.006 . 2 . . . . 74 L HD2 . 17199 1 690 . 1 1 74 74 LEU HD23 H 1 0.749 0.006 . 2 . . . . 74 L HD2 . 17199 1 691 . 1 1 74 74 LEU HG H 1 1.510 0.015 . 1 . . . . 74 L HG . 17199 1 692 . 1 1 74 74 LEU C C 13 177.171 0.034 . 1 . . . . 74 L C . 17199 1 693 . 1 1 74 74 LEU CA C 13 55.320 0.093 . 1 . . . . 74 L CA . 17199 1 694 . 1 1 74 74 LEU CB C 13 42.051 0.035 . 1 . . . . 74 L CB . 17199 1 695 . 1 1 74 74 LEU CD1 C 13 24.895 0.145 . 2 . . . . 74 L CD1 . 17199 1 696 . 1 1 74 74 LEU CD2 C 13 23.772 0.062 . 2 . . . . 74 L CD2 . 17199 1 697 . 1 1 74 74 LEU CG C 13 26.922 0.081 . 1 . . . . 74 L CG . 17199 1 698 . 1 1 74 74 LEU N N 15 122.479 0.019 . 1 . . . . 74 L N . 17199 1 699 . 1 1 75 75 SER H H 1 8.289 0.004 . 1 . . . . 75 S H . 17199 1 700 . 1 1 75 75 SER HA H 1 4.362 0.004 . 1 . . . . 75 S HA . 17199 1 701 . 1 1 75 75 SER HB2 H 1 3.850 0.007 . 2 . . . . 75 S HB2 . 17199 1 702 . 1 1 75 75 SER C C 13 174.837 0.032 . 1 . . . . 75 S C . 17199 1 703 . 1 1 75 75 SER CA C 13 58.608 0.058 . 1 . . . . 75 S CA . 17199 1 704 . 1 1 75 75 SER CB C 13 63.588 0.017 . 1 . . . . 75 S CB . 17199 1 705 . 1 1 75 75 SER N N 15 117.171 0.029 . 1 . . . . 75 S N . 17199 1 706 . 1 1 76 76 VAL H H 1 7.893 0.003 . 1 . . . . 76 V H . 17199 1 707 . 1 1 76 76 VAL HA H 1 3.937 0.006 . 1 . . . . 76 V HA . 17199 1 708 . 1 1 76 76 VAL HB H 1 1.940 0.037 . 1 . . . . 76 V HB . 17199 1 709 . 1 1 76 76 VAL HG11 H 1 0.779 0.008 . 2 . . . . 76 V HG1 . 17199 1 710 . 1 1 76 76 VAL HG12 H 1 0.779 0.008 . 2 . . . . 76 V HG1 . 17199 1 711 . 1 1 76 76 VAL HG13 H 1 0.779 0.008 . 2 . . . . 76 V HG1 . 17199 1 712 . 1 1 76 76 VAL HG21 H 1 0.789 0.012 . 2 . . . . 76 V HG2 . 17199 1 713 . 1 1 76 76 VAL HG22 H 1 0.789 0.012 . 2 . . . . 76 V HG2 . 17199 1 714 . 1 1 76 76 VAL HG23 H 1 0.789 0.012 . 2 . . . . 76 V HG2 . 17199 1 715 . 1 1 76 76 VAL C C 13 176.132 0.011 . 1 . . . . 76 V C . 17199 1 716 . 1 1 76 76 VAL CA C 13 62.545 0.010 . 1 . . . . 76 V CA . 17199 1 717 . 1 1 76 76 VAL CB C 13 32.237 0.071 . 1 . . . . 76 V CB . 17199 1 718 . 1 1 76 76 VAL CG1 C 13 21.032 0.048 . 2 . . . . 76 V CG1 . 17199 1 719 . 1 1 76 76 VAL CG2 C 13 20.545 0.047 . 2 . . . . 76 V CG2 . 17199 1 720 . 1 1 76 76 VAL N N 15 121.108 0.013 . 1 . . . . 76 V N . 17199 1 721 . 1 1 77 77 LYS H H 1 8.043 0.005 . 1 . . . . 77 K H . 17199 1 722 . 1 1 77 77 LYS HA H 1 4.170 0.004 . 1 . . . . 77 K HA . 17199 1 723 . 1 1 77 77 LYS HB2 H 1 1.740 0.011 . 2 . . . . 77 K HB2 . 17199 1 724 . 1 1 77 77 LYS HG2 H 1 1.394 0.022 . 2 . . . . 77 K HG2 . 17199 1 725 . 1 1 77 77 LYS C C 13 177.062 0.000 . 1 . . . . 77 K C . 17199 1 726 . 1 1 77 77 LYS CA C 13 57.138 0.030 . 1 . . . . 77 K CA . 17199 1 727 . 1 1 77 77 LYS CB C 13 32.968 0.026 . 1 . . . . 77 K CB . 17199 1 728 . 1 1 77 77 LYS CD C 13 29.023 0.012 . 1 . . . . 77 K CD . 17199 1 729 . 1 1 77 77 LYS CG C 13 24.898 0.040 . 1 . . . . 77 K CG . 17199 1 730 . 1 1 77 77 LYS N N 15 122.824 0.018 . 1 . . . . 77 K N . 17199 1 731 . 1 1 78 78 GLY H H 1 8.333 0.007 . 1 . . . . 78 G H . 17199 1 732 . 1 1 78 78 GLY HA2 H 1 3.964 0.083 . 2 . . . . 78 G HA2 . 17199 1 733 . 1 1 78 78 GLY HA3 H 1 3.824 0.006 . 2 . . . . 78 G HA3 . 17199 1 734 . 1 1 78 78 GLY C C 13 174.598 0.000 . 1 . . . . 78 G C . 17199 1 735 . 1 1 78 78 GLY CA C 13 45.729 0.030 . 1 . . . . 78 G CA . 17199 1 736 . 1 1 78 78 GLY N N 15 108.832 0.018 . 1 . . . . 78 G N . 17199 1 737 . 1 1 79 79 MET H H 1 8.065 0.005 . 1 . . . . 79 M H . 17199 1 738 . 1 1 79 79 MET HA H 1 4.325 0.054 . 1 . . . . 79 M HA . 17199 1 739 . 1 1 79 79 MET HB2 H 1 1.985 0.031 . 2 . . . . 79 M HB2 . 17199 1 740 . 1 1 79 79 MET HG2 H 1 2.503 0.019 . 2 . . . . 79 M HG2 . 17199 1 741 . 1 1 79 79 MET HG3 H 1 2.468 0.011 . 2 . . . . 79 M HG3 . 17199 1 742 . 1 1 79 79 MET C C 13 176.761 0.000 . 1 . . . . 79 M C . 17199 1 743 . 1 1 79 79 MET CA C 13 56.713 0.059 . 1 . . . . 79 M CA . 17199 1 744 . 1 1 79 79 MET CB C 13 32.702 0.089 . 1 . . . . 79 M CB . 17199 1 745 . 1 1 79 79 MET CG C 13 32.221 0.084 . 1 . . . . 79 M CG . 17199 1 746 . 1 1 79 79 MET N N 15 119.081 0.014 . 1 . . . . 79 M N . 17199 1 747 . 1 1 80 80 LEU H H 1 7.970 0.004 . 1 . . . . 80 L H . 17199 1 748 . 1 1 80 80 LEU HA H 1 4.190 0.005 . 1 . . . . 80 L HA . 17199 1 749 . 1 1 80 80 LEU HB2 H 1 1.318 0.007 . 2 . . . . 80 L HB2 . 17199 1 750 . 1 1 80 80 LEU HD11 H 1 0.752 0.001 . 2 . . . . 80 L HD1 . 17199 1 751 . 1 1 80 80 LEU HD12 H 1 0.752 0.001 . 2 . . . . 80 L HD1 . 17199 1 752 . 1 1 80 80 LEU HD13 H 1 0.752 0.001 . 2 . . . . 80 L HD1 . 17199 1 753 . 1 1 80 80 LEU HG H 1 1.509 0.005 . 1 . . . . 80 L HG . 17199 1 754 . 1 1 80 80 LEU C C 13 177.150 0.013 . 1 . . . . 80 L C . 17199 1 755 . 1 1 80 80 LEU CA C 13 55.955 0.084 . 1 . . . . 80 L CA . 17199 1 756 . 1 1 80 80 LEU CB C 13 42.051 0.029 . 1 . . . . 80 L CB . 17199 1 757 . 1 1 80 80 LEU CD1 C 13 23.729 0.000 . 2 . . . . 80 L CD1 . 17199 1 758 . 1 1 80 80 LEU CG C 13 25.279 0.000 . 1 . . . . 80 L CG . 17199 1 759 . 1 1 80 80 LEU N N 15 120.081 0.081 . 1 . . . . 80 L N . 17199 1 760 . 1 1 81 81 TYR H H 1 7.893 0.004 . 1 . . . . 81 Y H . 17199 1 761 . 1 1 81 81 TYR HA H 1 4.549 0.009 . 1 . . . . 81 Y HA . 17199 1 762 . 1 1 81 81 TYR HB2 H 1 3.121 0.101 . 2 . . . . 81 Y HB2 . 17199 1 763 . 1 1 81 81 TYR HB3 H 1 2.878 0.007 . 2 . . . . 81 Y HB3 . 17199 1 764 . 1 1 81 81 TYR C C 13 176.339 0.000 . 1 . . . . 81 Y C . 17199 1 765 . 1 1 81 81 TYR CA C 13 57.865 0.036 . 1 . . . . 81 Y CA . 17199 1 766 . 1 1 81 81 TYR CB C 13 38.508 0.047 . 1 . . . . 81 Y CB . 17199 1 767 . 1 1 81 81 TYR N N 15 116.958 0.027 . 1 . . . . 81 Y N . 17199 1 768 . 1 1 82 82 ASP H H 1 8.176 0.013 . 1 . . . . 82 D H . 17199 1 769 . 1 1 82 82 ASP HA H 1 4.697 0.005 . 1 . . . . 82 D HA . 17199 1 770 . 1 1 82 82 ASP HB2 H 1 2.796 0.039 . 2 . . . . 82 D HB2 . 17199 1 771 . 1 1 82 82 ASP HB3 H 1 2.717 0.003 . 2 . . . . 82 D HB3 . 17199 1 772 . 1 1 82 82 ASP C C 13 177.523 0.000 . 1 . . . . 82 D C . 17199 1 773 . 1 1 82 82 ASP CA C 13 55.791 0.039 . 1 . . . . 82 D CA . 17199 1 774 . 1 1 82 82 ASP CB C 13 41.570 0.052 . 1 . . . . 82 D CB . 17199 1 775 . 1 1 82 82 ASP N N 15 119.746 0.013 . 1 . . . . 82 D N . 17199 1 776 . 1 1 83 83 SER H H 1 8.188 0.013 . 1 . . . . 83 S H . 17199 1 777 . 1 1 83 83 SER HA H 1 4.474 0.007 . 1 . . . . 83 S HA . 17199 1 778 . 1 1 83 83 SER HB2 H 1 3.926 0.013 . 2 . . . . 83 S HB2 . 17199 1 779 . 1 1 83 83 SER C C 13 174.486 0.000 . 1 . . . . 83 S C . 17199 1 780 . 1 1 83 83 SER CA C 13 60.021 0.141 . 1 . . . . 83 S CA . 17199 1 781 . 1 1 83 83 SER CB C 13 63.876 0.069 . 1 . . . . 83 S CB . 17199 1 782 . 1 1 83 83 SER N N 15 115.423 0.022 . 1 . . . . 83 S N . 17199 1 783 . 1 1 84 84 ASP H H 1 8.293 0.010 . 1 . . . . 84 D H . 17199 1 784 . 1 1 84 84 ASP HA H 1 4.923 0.005 . 1 . . . . 84 D HA . 17199 1 785 . 1 1 84 84 ASP HB2 H 1 2.886 0.005 . 2 . . . . 84 D HB2 . 17199 1 786 . 1 1 84 84 ASP HB3 H 1 2.742 0.003 . 2 . . . . 84 D HB3 . 17199 1 787 . 1 1 84 84 ASP C C 13 176.702 0.000 . 1 . . . . 84 D C . 17199 1 788 . 1 1 84 84 ASP CA C 13 54.444 0.069 . 1 . . . . 84 D CA . 17199 1 789 . 1 1 84 84 ASP CB C 13 41.688 0.050 . 1 . . . . 84 D CB . 17199 1 790 . 1 1 84 84 ASP N N 15 121.488 0.022 . 1 . . . . 84 D N . 17199 1 791 . 1 1 85 85 SER H H 1 8.197 0.008 . 1 . . . . 85 S H . 17199 1 792 . 1 1 85 85 SER HA H 1 4.149 0.010 . 1 . . . . 85 S HA . 17199 1 793 . 1 1 85 85 SER HB2 H 1 4.171 0.012 . 2 . . . . 85 S HB2 . 17199 1 794 . 1 1 85 85 SER C C 13 175.573 0.000 . 1 . . . . 85 S C . 17199 1 795 . 1 1 85 85 SER CA C 13 61.747 0.064 . 1 . . . . 85 S CA . 17199 1 796 . 1 1 85 85 SER CB C 13 63.831 0.021 . 1 . . . . 85 S CB . 17199 1 797 . 1 1 85 85 SER N N 15 116.889 0.019 . 1 . . . . 85 S N . 17199 1 798 . 1 1 86 86 GLN H H 1 8.627 0.004 . 1 . . . . 86 Q H . 17199 1 799 . 1 1 86 86 GLN HA H 1 4.154 0.007 . 1 . . . . 86 Q HA . 17199 1 800 . 1 1 86 86 GLN HB2 H 1 2.151 0.006 . 2 . . . . 86 Q HB2 . 17199 1 801 . 1 1 86 86 GLN HG2 H 1 2.424 0.005 . 2 . . . . 86 Q HG2 . 17199 1 802 . 1 1 86 86 GLN C C 13 177.707 0.026 . 1 . . . . 86 Q C . 17199 1 803 . 1 1 86 86 GLN CA C 13 58.373 0.044 . 1 . . . . 86 Q CA . 17199 1 804 . 1 1 86 86 GLN CB C 13 28.475 0.067 . 1 . . . . 86 Q CB . 17199 1 805 . 1 1 86 86 GLN CG C 13 34.108 0.037 . 1 . . . . 86 Q CG . 17199 1 806 . 1 1 86 86 GLN N N 15 121.031 0.016 . 1 . . . . 86 Q N . 17199 1 807 . 1 1 87 87 GLN H H 1 8.208 0.009 . 1 . . . . 87 Q H . 17199 1 808 . 1 1 87 87 GLN HA H 1 4.111 0.101 . 1 . . . . 87 Q HA . 17199 1 809 . 1 1 87 87 GLN HB2 H 1 2.137 0.006 . 2 . . . . 87 Q HB2 . 17199 1 810 . 1 1 87 87 GLN C C 13 179.670 0.008 . 1 . . . . 87 Q C . 17199 1 811 . 1 1 87 87 GLN CA C 13 59.486 0.032 . 1 . . . . 87 Q CA . 17199 1 812 . 1 1 87 87 GLN CB C 13 28.722 0.018 . 1 . . . . 87 Q CB . 17199 1 813 . 1 1 87 87 GLN CG C 13 34.725 0.023 . 1 . . . . 87 Q CG . 17199 1 814 . 1 1 87 87 GLN N N 15 118.473 0.013 . 1 . . . . 87 Q N . 17199 1 815 . 1 1 88 88 ILE H H 1 8.169 0.003 . 1 . . . . 88 I H . 17199 1 816 . 1 1 88 88 ILE HA H 1 3.518 0.005 . 1 . . . . 88 I HA . 17199 1 817 . 1 1 88 88 ILE HB H 1 1.894 0.005 . 1 . . . . 88 I HB . 17199 1 818 . 1 1 88 88 ILE HD11 H 1 0.852 0.008 . 1 . . . . 88 I HD1 . 17199 1 819 . 1 1 88 88 ILE HD12 H 1 0.852 0.008 . 1 . . . . 88 I HD1 . 17199 1 820 . 1 1 88 88 ILE HD13 H 1 0.852 0.008 . 1 . . . . 88 I HD1 . 17199 1 821 . 1 1 88 88 ILE HG12 H 1 1.003 0.006 . 2 . . . . 88 I HG12 . 17199 1 822 . 1 1 88 88 ILE HG21 H 1 0.727 0.005 . 1 . . . . 88 I HG2 . 17199 1 823 . 1 1 88 88 ILE HG22 H 1 0.727 0.005 . 1 . . . . 88 I HG2 . 17199 1 824 . 1 1 88 88 ILE HG23 H 1 0.727 0.005 . 1 . . . . 88 I HG2 . 17199 1 825 . 1 1 88 88 ILE C C 13 176.697 0.000 . 1 . . . . 88 I C . 17199 1 826 . 1 1 88 88 ILE CA C 13 65.712 0.025 . 1 . . . . 88 I CA . 17199 1 827 . 1 1 88 88 ILE CB C 13 37.268 0.054 . 1 . . . . 88 I CB . 17199 1 828 . 1 1 88 88 ILE CD1 C 13 13.318 0.094 . 1 . . . . 88 I CD1 . 17199 1 829 . 1 1 88 88 ILE CG1 C 13 30.037 0.037 . 1 . . . . 88 I CG1 . 17199 1 830 . 1 1 88 88 ILE CG2 C 13 17.174 0.022 . 1 . . . . 88 I CG2 . 17199 1 831 . 1 1 88 88 ILE N N 15 119.834 0.023 . 1 . . . . 88 I N . 17199 1 832 . 1 1 89 89 LEU H H 1 8.260 0.005 . 1 . . . . 89 L H . 17199 1 833 . 1 1 89 89 LEU HA H 1 3.718 0.007 . 1 . . . . 89 L HA . 17199 1 834 . 1 1 89 89 LEU HB2 H 1 1.880 0.005 . 2 . . . . 89 L HB2 . 17199 1 835 . 1 1 89 89 LEU HB3 H 1 1.359 0.007 . 2 . . . . 89 L HB3 . 17199 1 836 . 1 1 89 89 LEU HD11 H 1 0.835 0.004 . 2 . . . . 89 L HD1 . 17199 1 837 . 1 1 89 89 LEU HD12 H 1 0.835 0.004 . 2 . . . . 89 L HD1 . 17199 1 838 . 1 1 89 89 LEU HD13 H 1 0.835 0.004 . 2 . . . . 89 L HD1 . 17199 1 839 . 1 1 89 89 LEU HD21 H 1 0.750 0.010 . 2 . . . . 89 L HD2 . 17199 1 840 . 1 1 89 89 LEU HD22 H 1 0.750 0.010 . 2 . . . . 89 L HD2 . 17199 1 841 . 1 1 89 89 LEU HD23 H 1 0.750 0.010 . 2 . . . . 89 L HD2 . 17199 1 842 . 1 1 89 89 LEU HG H 1 1.356 0.011 . 1 . . . . 89 L HG . 17199 1 843 . 1 1 89 89 LEU C C 13 177.814 0.012 . 1 . . . . 89 L C . 17199 1 844 . 1 1 89 89 LEU CA C 13 58.613 0.021 . 1 . . . . 89 L CA . 17199 1 845 . 1 1 89 89 LEU CB C 13 41.902 0.043 . 1 . . . . 89 L CB . 17199 1 846 . 1 1 89 89 LEU CD1 C 13 25.920 0.049 . 2 . . . . 89 L CD1 . 17199 1 847 . 1 1 89 89 LEU CD2 C 13 23.435 0.047 . 2 . . . . 89 L CD2 . 17199 1 848 . 1 1 89 89 LEU CG C 13 27.143 0.045 . 1 . . . . 89 L CG . 17199 1 849 . 1 1 89 89 LEU N N 15 120.868 0.029 . 1 . . . . 89 L N . 17199 1 850 . 1 1 90 90 ASN H H 1 8.415 0.003 . 1 . . . . 90 N H . 17199 1 851 . 1 1 90 90 ASN HA H 1 4.313 0.006 . 1 . . . . 90 N HA . 17199 1 852 . 1 1 90 90 ASN HB2 H 1 2.832 0.004 . 2 . . . . 90 N HB2 . 17199 1 853 . 1 1 90 90 ASN C C 13 178.182 0.035 . 1 . . . . 90 N C . 17199 1 854 . 1 1 90 90 ASN CA C 13 56.157 0.051 . 1 . . . . 90 N CA . 17199 1 855 . 1 1 90 90 ASN CB C 13 37.839 0.041 . 1 . . . . 90 N CB . 17199 1 856 . 1 1 90 90 ASN N N 15 115.515 0.016 . 1 . . . . 90 N N . 17199 1 857 . 1 1 91 91 ARG H H 1 7.935 0.005 . 1 . . . . 91 R H . 17199 1 858 . 1 1 91 91 ARG HA H 1 4.231 0.007 . 1 . . . . 91 R HA . 17199 1 859 . 1 1 91 91 ARG HB2 H 1 1.940 0.008 . 2 . . . . 91 R HB2 . 17199 1 860 . 1 1 91 91 ARG HD2 H 1 3.583 0.007 . 2 . . . . 91 R HD2 . 17199 1 861 . 1 1 91 91 ARG HD3 H 1 2.699 0.005 . 2 . . . . 91 R HD3 . 17199 1 862 . 1 1 91 91 ARG HG2 H 1 1.812 0.007 . 2 . . . . 91 R HG2 . 17199 1 863 . 1 1 91 91 ARG HG3 H 1 1.292 0.007 . 2 . . . . 91 R HG3 . 17199 1 864 . 1 1 91 91 ARG C C 13 178.267 0.008 . 1 . . . . 91 R C . 17199 1 865 . 1 1 91 91 ARG CA C 13 56.932 0.037 . 1 . . . . 91 R CA . 17199 1 866 . 1 1 91 91 ARG CB C 13 29.705 0.045 . 1 . . . . 91 R CB . 17199 1 867 . 1 1 91 91 ARG CD C 13 42.573 0.027 . 1 . . . . 91 R CD . 17199 1 868 . 1 1 91 91 ARG CG C 13 26.306 0.035 . 1 . . . . 91 R CG . 17199 1 869 . 1 1 91 91 ARG N N 15 120.157 0.018 . 1 . . . . 91 R N . 17199 1 870 . 1 1 92 92 LEU H H 1 8.855 0.006 . 1 . . . . 92 L H . 17199 1 871 . 1 1 92 92 LEU HA H 1 3.900 0.005 . 1 . . . . 92 L HA . 17199 1 872 . 1 1 92 92 LEU HB2 H 1 1.823 0.010 . 2 . . . . 92 L HB2 . 17199 1 873 . 1 1 92 92 LEU HB3 H 1 1.476 0.006 . 2 . . . . 92 L HB3 . 17199 1 874 . 1 1 92 92 LEU HD11 H 1 0.623 0.006 . 2 . . . . 92 L HD1 . 17199 1 875 . 1 1 92 92 LEU HD12 H 1 0.623 0.006 . 2 . . . . 92 L HD1 . 17199 1 876 . 1 1 92 92 LEU HD13 H 1 0.623 0.006 . 2 . . . . 92 L HD1 . 17199 1 877 . 1 1 92 92 LEU HD21 H 1 0.326 0.004 . 2 . . . . 92 L HD2 . 17199 1 878 . 1 1 92 92 LEU HD22 H 1 0.326 0.004 . 2 . . . . 92 L HD2 . 17199 1 879 . 1 1 92 92 LEU HD23 H 1 0.326 0.004 . 2 . . . . 92 L HD2 . 17199 1 880 . 1 1 92 92 LEU HG H 1 1.556 0.012 . 1 . . . . 92 L HG . 17199 1 881 . 1 1 92 92 LEU C C 13 178.336 0.045 . 1 . . . . 92 L C . 17199 1 882 . 1 1 92 92 LEU CA C 13 58.325 0.037 . 1 . . . . 92 L CA . 17199 1 883 . 1 1 92 92 LEU CB C 13 43.463 0.029 . 1 . . . . 92 L CB . 17199 1 884 . 1 1 92 92 LEU CD1 C 13 23.946 0.029 . 2 . . . . 92 L CD1 . 17199 1 885 . 1 1 92 92 LEU CD2 C 13 24.358 0.049 . 2 . . . . 92 L CD2 . 17199 1 886 . 1 1 92 92 LEU CG C 13 26.779 0.096 . 1 . . . . 92 L CG . 17199 1 887 . 1 1 92 92 LEU N N 15 121.922 0.014 . 1 . . . . 92 L N . 17199 1 888 . 1 1 93 93 ARG H H 1 8.087 0.005 . 1 . . . . 93 R H . 17199 1 889 . 1 1 93 93 ARG HA H 1 3.881 0.008 . 1 . . . . 93 R HA . 17199 1 890 . 1 1 93 93 ARG HB2 H 1 1.894 0.006 . 2 . . . . 93 R HB2 . 17199 1 891 . 1 1 93 93 ARG HD2 H 1 3.106 0.004 . 2 . . . . 93 R HD2 . 17199 1 892 . 1 1 93 93 ARG HG2 H 1 1.869 0.009 . 2 . . . . 93 R HG2 . 17199 1 893 . 1 1 93 93 ARG HG3 H 1 1.621 0.007 . 2 . . . . 93 R HG3 . 17199 1 894 . 1 1 93 93 ARG C C 13 179.377 0.006 . 1 . . . . 93 R C . 17199 1 895 . 1 1 93 93 ARG CA C 13 60.321 0.043 . 1 . . . . 93 R CA . 17199 1 896 . 1 1 93 93 ARG CB C 13 30.068 0.059 . 1 . . . . 93 R CB . 17199 1 897 . 1 1 93 93 ARG CD C 13 43.970 0.050 . 1 . . . . 93 R CD . 17199 1 898 . 1 1 93 93 ARG CG C 13 28.831 0.042 . 1 . . . . 93 R CG . 17199 1 899 . 1 1 93 93 ARG N N 15 116.660 0.016 . 1 . . . . 93 R N . 17199 1 900 . 1 1 94 94 GLU H H 1 7.557 0.005 . 1 . . . . 94 E H . 17199 1 901 . 1 1 94 94 GLU HA H 1 4.035 0.010 . 1 . . . . 94 E HA . 17199 1 902 . 1 1 94 94 GLU HB2 H 1 2.235 0.102 . 2 . . . . 94 E HB2 . 17199 1 903 . 1 1 94 94 GLU HB3 H 1 2.053 0.008 . 2 . . . . 94 E HB3 . 17199 1 904 . 1 1 94 94 GLU HG2 H 1 2.438 0.103 . 2 . . . . 94 E HG2 . 17199 1 905 . 1 1 94 94 GLU HG3 H 1 2.269 0.035 . 2 . . . . 94 E HG3 . 17199 1 906 . 1 1 94 94 GLU C C 13 179.760 0.035 . 1 . . . . 94 E C . 17199 1 907 . 1 1 94 94 GLU CA C 13 59.256 0.033 . 1 . . . . 94 E CA . 17199 1 908 . 1 1 94 94 GLU CB C 13 30.505 0.038 . 1 . . . . 94 E CB . 17199 1 909 . 1 1 94 94 GLU CG C 13 36.359 0.089 . 1 . . . . 94 E CG . 17199 1 910 . 1 1 94 94 GLU N N 15 119.349 0.012 . 1 . . . . 94 E N . 17199 1 911 . 1 1 95 95 ARG H H 1 8.510 0.002 . 1 . . . . 95 R H . 17199 1 912 . 1 1 95 95 ARG HA H 1 3.996 0.016 . 1 . . . . 95 R HA . 17199 1 913 . 1 1 95 95 ARG HB2 H 1 2.274 0.005 . 2 . . . . 95 R HB2 . 17199 1 914 . 1 1 95 95 ARG HB3 H 1 1.760 0.006 . 2 . . . . 95 R HB3 . 17199 1 915 . 1 1 95 95 ARG HD2 H 1 3.656 0.005 . 2 . . . . 95 R HD2 . 17199 1 916 . 1 1 95 95 ARG HD3 H 1 2.769 0.005 . 2 . . . . 95 R HD3 . 17199 1 917 . 1 1 95 95 ARG HG2 H 1 1.737 0.047 . 2 . . . . 95 R HG2 . 17199 1 918 . 1 1 95 95 ARG C C 13 178.972 0.013 . 1 . . . . 95 R C . 17199 1 919 . 1 1 95 95 ARG CA C 13 59.558 0.038 . 1 . . . . 95 R CA . 17199 1 920 . 1 1 95 95 ARG CB C 13 30.982 0.045 . 1 . . . . 95 R CB . 17199 1 921 . 1 1 95 95 ARG CD C 13 44.520 0.028 . 1 . . . . 95 R CD . 17199 1 922 . 1 1 95 95 ARG CG C 13 27.800 0.072 . 1 . . . . 95 R CG . 17199 1 923 . 1 1 95 95 ARG N N 15 119.810 0.021 . 1 . . . . 95 R N . 17199 1 924 . 1 1 96 96 VAL H H 1 8.258 0.005 . 1 . . . . 96 V H . 17199 1 925 . 1 1 96 96 VAL HA H 1 3.931 0.008 . 1 . . . . 96 V HA . 17199 1 926 . 1 1 96 96 VAL HB H 1 2.110 0.007 . 1 . . . . 96 V HB . 17199 1 927 . 1 1 96 96 VAL HG11 H 1 0.974 0.008 . 2 . . . . 96 V HG1 . 17199 1 928 . 1 1 96 96 VAL HG12 H 1 0.974 0.008 . 2 . . . . 96 V HG1 . 17199 1 929 . 1 1 96 96 VAL HG13 H 1 0.974 0.008 . 2 . . . . 96 V HG1 . 17199 1 930 . 1 1 96 96 VAL HG21 H 1 0.936 0.063 . 2 . . . . 96 V HG2 . 17199 1 931 . 1 1 96 96 VAL HG22 H 1 0.936 0.063 . 2 . . . . 96 V HG2 . 17199 1 932 . 1 1 96 96 VAL HG23 H 1 0.936 0.063 . 2 . . . . 96 V HG2 . 17199 1 933 . 1 1 96 96 VAL C C 13 177.877 0.033 . 1 . . . . 96 V C . 17199 1 934 . 1 1 96 96 VAL CA C 13 65.061 0.038 . 1 . . . . 96 V CA . 17199 1 935 . 1 1 96 96 VAL CB C 13 31.855 0.059 . 1 . . . . 96 V CB . 17199 1 936 . 1 1 96 96 VAL CG1 C 13 22.707 0.036 . 2 . . . . 96 V CG1 . 17199 1 937 . 1 1 96 96 VAL CG2 C 13 21.243 0.039 . 2 . . . . 96 V CG2 . 17199 1 938 . 1 1 96 96 VAL N N 15 117.252 0.025 . 1 . . . . 96 V N . 17199 1 939 . 1 1 97 97 SER H H 1 7.978 0.003 . 1 . . . . 97 S H . 17199 1 940 . 1 1 97 97 SER HA H 1 4.405 0.011 . 1 . . . . 97 S HA . 17199 1 941 . 1 1 97 97 SER HB2 H 1 4.005 0.008 . 2 . . . . 97 S HB2 . 17199 1 942 . 1 1 97 97 SER C C 13 175.674 0.009 . 1 . . . . 97 S C . 17199 1 943 . 1 1 97 97 SER CA C 13 60.069 0.050 . 1 . . . . 97 S CA . 17199 1 944 . 1 1 97 97 SER CB C 13 63.796 0.034 . 1 . . . . 97 S CB . 17199 1 945 . 1 1 97 97 SER N N 15 115.163 0.009 . 1 . . . . 97 S N . 17199 1 946 . 1 1 98 98 GLY H H 1 7.963 0.003 . 1 . . . . 98 G H . 17199 1 947 . 1 1 98 98 GLY HA2 H 1 4.059 0.009 . 2 . . . . 98 G HA2 . 17199 1 948 . 1 1 98 98 GLY C C 13 174.559 0.005 . 1 . . . . 98 G C . 17199 1 949 . 1 1 98 98 GLY CA C 13 45.803 0.036 . 1 . . . . 98 G CA . 17199 1 950 . 1 1 98 98 GLY N N 15 109.579 0.009 . 1 . . . . 98 G N . 17199 1 951 . 1 1 99 99 SER H H 1 8.094 0.025 . 1 . . . . 99 S H . 17199 1 952 . 1 1 99 99 SER HA H 1 4.561 0.005 . 1 . . . . 99 S HA . 17199 1 953 . 1 1 99 99 SER HB2 H 1 3.928 0.003 . 2 . . . . 99 S HB2 . 17199 1 954 . 1 1 99 99 SER C C 13 174.925 0.047 . 1 . . . . 99 S C . 17199 1 955 . 1 1 99 99 SER CA C 13 58.628 0.031 . 1 . . . . 99 S CA . 17199 1 956 . 1 1 99 99 SER CB C 13 63.929 0.045 . 1 . . . . 99 S CB . 17199 1 957 . 1 1 99 99 SER N N 15 115.449 0.009 . 1 . . . . 99 S N . 17199 1 958 . 1 1 100 100 THR H H 1 8.168 0.004 . 1 . . . . 100 T H . 17199 1 959 . 1 1 100 100 THR HA H 1 4.352 0.084 . 1 . . . . 100 T HA . 17199 1 960 . 1 1 100 100 THR HB H 1 4.311 0.008 . 1 . . . . 100 T HB . 17199 1 961 . 1 1 100 100 THR HG21 H 1 1.236 0.007 . 1 . . . . 100 T HG2 . 17199 1 962 . 1 1 100 100 THR HG22 H 1 1.236 0.007 . 1 . . . . 100 T HG2 . 17199 1 963 . 1 1 100 100 THR HG23 H 1 1.236 0.007 . 1 . . . . 100 T HG2 . 17199 1 964 . 1 1 100 100 THR C C 13 174.541 0.009 . 1 . . . . 100 T C . 17199 1 965 . 1 1 100 100 THR CA C 13 61.915 0.034 . 1 . . . . 100 T CA . 17199 1 966 . 1 1 100 100 THR CB C 13 69.786 0.040 . 1 . . . . 100 T CB . 17199 1 967 . 1 1 100 100 THR CG2 C 13 21.573 0.072 . 1 . . . . 100 T CG2 . 17199 1 968 . 1 1 100 100 THR N N 15 115.478 0.009 . 1 . . . . 100 T N . 17199 1 969 . 1 1 101 101 ALA H H 1 8.280 0.004 . 1 . . . . 101 A H . 17199 1 970 . 1 1 101 101 ALA HA H 1 4.345 0.005 . 1 . . . . 101 A HA . 17199 1 971 . 1 1 101 101 ALA HB1 H 1 1.417 0.004 . 1 . . . . 101 A HB . 17199 1 972 . 1 1 101 101 ALA HB2 H 1 1.417 0.004 . 1 . . . . 101 A HB . 17199 1 973 . 1 1 101 101 ALA HB3 H 1 1.417 0.004 . 1 . . . . 101 A HB . 17199 1 974 . 1 1 101 101 ALA C C 13 177.704 0.009 . 1 . . . . 101 A C . 17199 1 975 . 1 1 101 101 ALA CA C 13 52.725 0.037 . 1 . . . . 101 A CA . 17199 1 976 . 1 1 101 101 ALA CB C 13 19.209 0.015 . 1 . . . . 101 A CB . 17199 1 977 . 1 1 101 101 ALA N N 15 126.355 0.011 . 1 . . . . 101 A N . 17199 1 978 . 1 1 102 102 GLN H H 1 8.437 0.061 . 1 . . . . 102 Q H . 17199 1 979 . 1 1 102 102 GLN HA H 1 4.384 0.004 . 1 . . . . 102 Q HA . 17199 1 980 . 1 1 102 102 GLN HB2 H 1 2.158 0.004 . 2 . . . . 102 Q HB2 . 17199 1 981 . 1 1 102 102 GLN HB3 H 1 2.016 0.003 . 2 . . . . 102 Q HB3 . 17199 1 982 . 1 1 102 102 GLN HG2 H 1 2.412 0.003 . 2 . . . . 102 Q HG2 . 17199 1 983 . 1 1 102 102 GLN C C 13 176.019 0.019 . 1 . . . . 102 Q C . 17199 1 984 . 1 1 102 102 GLN CA C 13 55.884 0.038 . 1 . . . . 102 Q CA . 17199 1 985 . 1 1 102 102 GLN CB C 13 29.578 0.040 . 1 . . . . 102 Q CB . 17199 1 986 . 1 1 102 102 GLN CG C 13 33.877 0.047 . 1 . . . . 102 Q CG . 17199 1 987 . 1 1 102 102 GLN N N 15 119.750 0.009 . 1 . . . . 102 Q N . 17199 1 988 . 1 1 103 103 SER H H 1 8.336 0.002 . 1 . . . . 103 S H . 17199 1 989 . 1 1 103 103 SER HA H 1 4.462 0.007 . 1 . . . . 103 S HA . 17199 1 990 . 1 1 103 103 SER HB2 H 1 3.889 0.004 . 2 . . . . 103 S HB2 . 17199 1 991 . 1 1 103 103 SER C C 13 173.243 0.018 . 1 . . . . 103 S C . 17199 1 992 . 1 1 103 103 SER CA C 13 58.425 0.045 . 1 . . . . 103 S CA . 17199 1 993 . 1 1 103 103 SER CB C 13 64.162 0.026 . 1 . . . . 103 S CB . 17199 1 994 . 1 1 103 103 SER N N 15 117.722 0.027 . 1 . . . . 103 S N . 17199 1 995 . 1 1 104 104 ALA H H 1 8.054 0.001 . 1 . . . . 104 A H . 17199 1 996 . 1 1 104 104 ALA HA H 1 4.170 0.003 . 1 . . . . 104 A HA . 17199 1 997 . 1 1 104 104 ALA HB1 H 1 1.362 0.002 . 1 . . . . 104 A HB . 17199 1 998 . 1 1 104 104 ALA HB2 H 1 1.362 0.002 . 1 . . . . 104 A HB . 17199 1 999 . 1 1 104 104 ALA HB3 H 1 1.362 0.002 . 1 . . . . 104 A HB . 17199 1 1000 . 1 1 104 104 ALA C C 13 182.546 0.000 . 1 . . . . 104 A C . 17199 1 1001 . 1 1 104 104 ALA CA C 13 53.984 0.022 . 1 . . . . 104 A CA . 17199 1 1002 . 1 1 104 104 ALA CB C 13 20.187 0.015 . 1 . . . . 104 A CB . 17199 1 1003 . 1 1 104 104 ALA N N 15 131.639 0.004 . 1 . . . . 104 A N . 17199 1 stop_ save_