data_16057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16057 _Entry.Title ; NMR structure of protein gp15 of bacteriophage SPP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-12 _Entry.Accession_date 2008-12-12 _Entry.Last_release_date . _Entry.Original_release_date . _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 Matthieu Gallopin . . . 16057 2 Bernard Gilquin . . . 16057 3 Sophie Zinn-Justin . . . 16057 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16057 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'three alpha-helix bundle' . 16057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 16057 '15N chemical shifts' 93 16057 '1H chemical shifts' 666 16057 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 2 . . 2009-06-01 2008-12-12 update BMRB 'complete entry citation' 16057 1 . . 2009-05-20 2008-12-12 original author 'original release' 16057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KBZ 'BMRB Entry Tracking System' 16057 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16057 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19433794 _Citation.Full_citation . _Citation.Title 'Structure of bacteriophage SPP1 head-to-tail connection reveals mechanism for viral DNA gating' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 21 _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 8507 _Citation.Page_last 8512 _Citation.Year 2009 _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 Sophie Lhuillier . . . 16057 1 2 Matthieu Gallopin . . . 16057 1 3 Bernard Gilquin . . . 16057 1 4 Sandrine Brasiles . . . 16057 1 5 Nathalie Lancelot . . . 16057 1 6 Guillaume Letellier . . . 16057 1 7 Mathilde Gilles . . . 16057 1 8 Guillaume Dethan . . . 16057 1 9 Elena Orlova . V. . 16057 1 10 Joel Couprie . . . 16057 1 11 Paulo Tavares . . . 16057 1 12 Sophie Zinn-Justin . . . 16057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16057 _Assembly.ID 1 _Assembly.Name gp15 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $gp15 A . yes native no no . . . 16057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp15 _Entity.Sf_category entity _Entity.Sf_framecode gp15 _Entity.Entry_ID 16057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gp15 _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 ; QRVKRLLSITNDKHDEYLTE MVPLLVEFAKDECHNPFIDK DGNESIPSGVLIFVAKAAQF YMTNAGLTGRSMDTVSYNFA TEIPSTILKKLNPYRKMAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11270.051 _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 2KBZ . "Nmr Structure Of Protein Gp15 Of Bacteriophage Spp1" . . . . . 100.00 99 100.00 100.00 1.00e-66 . . . . 16057 1 2 no PDB 5A20 . "Structure Of Bacteriophage Spp1 Head-to-tail Interface Filled With Dna And Tape Measure Protein" . . . . . 100.00 102 100.00 100.00 1.00e-66 . . . . 16057 1 3 no PDB 5A21 . "Structure Of Bacteriophage Spp1 Head-to-tail Interface Without Dna And Tape Measure Protein" . . . . . 100.00 102 100.00 100.00 1.00e-66 . . . . 16057 1 4 no EMBL CAA61872 . "15 [Bacillus phage SPP1]" . . . . . 100.00 102 100.00 100.00 1.00e-66 . . . . 16057 1 5 no EMBL CAA66546 . "unnamed protein product [Bacillus phage SPP1]" . . . . . 100.00 102 100.00 100.00 1.00e-66 . . . . 16057 1 6 no REF NP_690676 . "hypothetical protein SPP1p025 [Bacillus phage SPP1]" . . . . . 100.00 102 100.00 100.00 1.00e-66 . . . . 16057 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SPP1 head-to-tail connector protein' 16057 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 39 GLN . 16057 1 2 40 ARG . 16057 1 3 41 VAL . 16057 1 4 42 LYS . 16057 1 5 43 ARG . 16057 1 6 44 LEU . 16057 1 7 45 LEU . 16057 1 8 46 SER . 16057 1 9 47 ILE . 16057 1 10 48 THR . 16057 1 11 49 ASN . 16057 1 12 50 ASP . 16057 1 13 51 LYS . 16057 1 14 52 HIS . 16057 1 15 53 ASP . 16057 1 16 54 GLU . 16057 1 17 55 TYR . 16057 1 18 56 LEU . 16057 1 19 57 THR . 16057 1 20 58 GLU . 16057 1 21 59 MET . 16057 1 22 60 VAL . 16057 1 23 61 PRO . 16057 1 24 62 LEU . 16057 1 25 63 LEU . 16057 1 26 64 VAL . 16057 1 27 65 GLU . 16057 1 28 66 PHE . 16057 1 29 67 ALA . 16057 1 30 68 LYS . 16057 1 31 69 ASP . 16057 1 32 70 GLU . 16057 1 33 71 CYS . 16057 1 34 72 HIS . 16057 1 35 73 ASN . 16057 1 36 74 PRO . 16057 1 37 75 PHE . 16057 1 38 76 ILE . 16057 1 39 77 ASP . 16057 1 40 78 LYS . 16057 1 41 79 ASP . 16057 1 42 80 GLY . 16057 1 43 81 ASN . 16057 1 44 82 GLU . 16057 1 45 83 SER . 16057 1 46 84 ILE . 16057 1 47 85 PRO . 16057 1 48 86 SER . 16057 1 49 87 GLY . 16057 1 50 88 VAL . 16057 1 51 89 LEU . 16057 1 52 90 ILE . 16057 1 53 91 PHE . 16057 1 54 92 VAL . 16057 1 55 93 ALA . 16057 1 56 94 LYS . 16057 1 57 95 ALA . 16057 1 58 96 ALA . 16057 1 59 97 GLN . 16057 1 60 98 PHE . 16057 1 61 99 TYR . 16057 1 62 100 MET . 16057 1 63 101 THR . 16057 1 64 102 ASN . 16057 1 65 103 ALA . 16057 1 66 104 GLY . 16057 1 67 105 LEU . 16057 1 68 106 THR . 16057 1 69 107 GLY . 16057 1 70 108 ARG . 16057 1 71 109 SER . 16057 1 72 110 MET . 16057 1 73 111 ASP . 16057 1 74 112 THR . 16057 1 75 113 VAL . 16057 1 76 114 SER . 16057 1 77 115 TYR . 16057 1 78 116 ASN . 16057 1 79 117 PHE . 16057 1 80 118 ALA . 16057 1 81 119 THR . 16057 1 82 120 GLU . 16057 1 83 121 ILE . 16057 1 84 122 PRO . 16057 1 85 123 SER . 16057 1 86 124 THR . 16057 1 87 125 ILE . 16057 1 88 126 LEU . 16057 1 89 127 LYS . 16057 1 90 128 LYS . 16057 1 91 129 LEU . 16057 1 92 130 ASN . 16057 1 93 131 PRO . 16057 1 94 132 TYR . 16057 1 95 133 ARG . 16057 1 96 134 LYS . 16057 1 97 135 MET . 16057 1 98 136 ALA . 16057 1 99 137 ARG . 16057 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 . GLN 1 1 16057 1 . ARG 2 2 16057 1 . VAL 3 3 16057 1 . LYS 4 4 16057 1 . ARG 5 5 16057 1 . LEU 6 6 16057 1 . LEU 7 7 16057 1 . SER 8 8 16057 1 . ILE 9 9 16057 1 . THR 10 10 16057 1 . ASN 11 11 16057 1 . ASP 12 12 16057 1 . LYS 13 13 16057 1 . HIS 14 14 16057 1 . ASP 15 15 16057 1 . GLU 16 16 16057 1 . TYR 17 17 16057 1 . LEU 18 18 16057 1 . THR 19 19 16057 1 . GLU 20 20 16057 1 . MET 21 21 16057 1 . VAL 22 22 16057 1 . PRO 23 23 16057 1 . LEU 24 24 16057 1 . LEU 25 25 16057 1 . VAL 26 26 16057 1 . GLU 27 27 16057 1 . PHE 28 28 16057 1 . ALA 29 29 16057 1 . LYS 30 30 16057 1 . ASP 31 31 16057 1 . GLU 32 32 16057 1 . CYS 33 33 16057 1 . HIS 34 34 16057 1 . ASN 35 35 16057 1 . PRO 36 36 16057 1 . PHE 37 37 16057 1 . ILE 38 38 16057 1 . ASP 39 39 16057 1 . LYS 40 40 16057 1 . ASP 41 41 16057 1 . GLY 42 42 16057 1 . ASN 43 43 16057 1 . GLU 44 44 16057 1 . SER 45 45 16057 1 . ILE 46 46 16057 1 . PRO 47 47 16057 1 . SER 48 48 16057 1 . GLY 49 49 16057 1 . VAL 50 50 16057 1 . LEU 51 51 16057 1 . ILE 52 52 16057 1 . PHE 53 53 16057 1 . VAL 54 54 16057 1 . ALA 55 55 16057 1 . LYS 56 56 16057 1 . ALA 57 57 16057 1 . ALA 58 58 16057 1 . GLN 59 59 16057 1 . PHE 60 60 16057 1 . TYR 61 61 16057 1 . MET 62 62 16057 1 . THR 63 63 16057 1 . ASN 64 64 16057 1 . ALA 65 65 16057 1 . GLY 66 66 16057 1 . LEU 67 67 16057 1 . THR 68 68 16057 1 . GLY 69 69 16057 1 . ARG 70 70 16057 1 . SER 71 71 16057 1 . MET 72 72 16057 1 . ASP 73 73 16057 1 . THR 74 74 16057 1 . VAL 75 75 16057 1 . SER 76 76 16057 1 . TYR 77 77 16057 1 . ASN 78 78 16057 1 . PHE 79 79 16057 1 . ALA 80 80 16057 1 . THR 81 81 16057 1 . GLU 82 82 16057 1 . ILE 83 83 16057 1 . PRO 84 84 16057 1 . SER 85 85 16057 1 . THR 86 86 16057 1 . ILE 87 87 16057 1 . LEU 88 88 16057 1 . LYS 89 89 16057 1 . LYS 90 90 16057 1 . LEU 91 91 16057 1 . ASN 92 92 16057 1 . PRO 93 93 16057 1 . TYR 94 94 16057 1 . ARG 95 95 16057 1 . LYS 96 96 16057 1 . MET 97 97 16057 1 . ALA 98 98 16057 1 . ARG 99 99 16057 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 16057 _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 $gp15 . 10724 virus . 'Bacillus phage SPP1' 'Bacteriophage SPP1' . . Viruses . Bacteriophage SPP1 . . . . . . . . . . . . . . . . . . . . . 16057 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 16057 _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 $gp15 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DE3 . . . . . . . . . . . . . . . pLysS . . . . . . 16057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16057 _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 gp15 '[U-100% 15N]' . . 1 $gp15 . . 0.5 . . mM . . . . 16057 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16057 _Sample.ID 2 _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 gp15 '[U-100% 13C; U-100% 15N]' . . 1 $gp15 . . 0.5 . . mM . . . . 16057 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 16057 _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' 0.3 . M 16057 1 pH 7.5 . pH 16057 1 pressure 1 . atm 16057 1 temperature 298 . K 16057 1 stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 16057 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16057 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16057 1 'peak picking' 16057 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 16057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance 2' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16057 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'With Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance 2' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16057 _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 2' . 600 'With Cryoprobe' . . 16057 1 2 spectrometer_2 Bruker 'Avance 2' . 700 'With Cryoprobe' . . 16057 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 16057 _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 . . . . . . . . . . . . . . . . . . . . . 16057 1 2 '2D H-D exchange' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 5 '2D 1H-15N nOe transfer' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 10 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 14 '3D HCCH COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 1 15 '3D HCCH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16057 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 16057 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.25144954 . . . 1 $entry_citation . . 1 $entry_citation 16057 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 16057 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329112 . . . 1 $entry_citation . . 1 $entry_citation 16057 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 16057 _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' . . . 16057 1 3 '3D HNHA' . . . 16057 1 7 '3D HNCO' . . . 16057 1 8 '3D HNCA' . . . 16057 1 10 '3D HNCACO' . . . 16057 1 11 '3D HNCACB' . . . 16057 1 13 '3D HBHA(CO)NH' . . . 16057 1 15 '3D HCCH TOCSY' . . . 16057 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 3 3 VAL HA H 1 3.360 0.02 . 1 . . . . 41 VAL HA . 16057 1 2 . 1 1 3 3 VAL HB H 1 2.180 0.02 . 1 . . . . 41 VAL HB . 16057 1 3 . 1 1 3 3 VAL HG11 H 1 0.660 0.02 . 1 . . . . 41 VAL HG1 . 16057 1 4 . 1 1 3 3 VAL HG12 H 1 0.660 0.02 . 1 . . . . 41 VAL HG1 . 16057 1 5 . 1 1 3 3 VAL HG13 H 1 0.660 0.02 . 1 . . . . 41 VAL HG1 . 16057 1 6 . 1 1 3 3 VAL HG21 H 1 0.880 0.02 . 1 . . . . 41 VAL HG2 . 16057 1 7 . 1 1 3 3 VAL HG22 H 1 0.880 0.02 . 1 . . . . 41 VAL HG2 . 16057 1 8 . 1 1 3 3 VAL HG23 H 1 0.880 0.02 . 1 . . . . 41 VAL HG2 . 16057 1 9 . 1 1 3 3 VAL CA C 13 64.070 0.10 . 1 . . . . 41 VAL CA . 16057 1 10 . 1 1 3 3 VAL CB C 13 28.620 0.10 . 1 . . . . 41 VAL CB . 16057 1 11 . 1 1 3 3 VAL CG1 C 13 18.540 0.10 . 1 . . . . 41 VAL CG1 . 16057 1 12 . 1 1 3 3 VAL CG2 C 13 20.340 0.10 . 1 . . . . 41 VAL CG2 . 16057 1 13 . 1 1 4 4 LYS H H 1 8.223 0.02 . 1 . . . . 42 LYS H . 16057 1 14 . 1 1 4 4 LYS HA H 1 3.610 0.02 . 1 . . . . 42 LYS HA . 16057 1 15 . 1 1 4 4 LYS HB2 H 1 2.160 0.02 . 1 . . . . 42 LYS HB2 . 16057 1 16 . 1 1 4 4 LYS HB3 H 1 1.790 0.02 . 1 . . . . 42 LYS HB3 . 16057 1 17 . 1 1 4 4 LYS HE2 H 1 2.870 0.02 . 1 . . . . 42 LYS HE2 . 16057 1 18 . 1 1 4 4 LYS HE3 H 1 2.870 0.02 . 1 . . . . 42 LYS HE3 . 16057 1 19 . 1 1 4 4 LYS HG2 H 1 1.710 0.02 . 1 . . . . 42 LYS HG2 . 16057 1 20 . 1 1 4 4 LYS HG3 H 1 1.710 0.02 . 1 . . . . 42 LYS HG3 . 16057 1 21 . 1 1 4 4 LYS C C 13 175.928 0.10 . 1 . . . . 42 LYS C . 16057 1 22 . 1 1 4 4 LYS CA C 13 58.640 0.10 . 1 . . . . 42 LYS CA . 16057 1 23 . 1 1 4 4 LYS CB C 13 28.640 0.10 . 1 . . . . 42 LYS CB . 16057 1 24 . 1 1 4 4 LYS CE C 13 39.000 0.10 . 1 . . . . 42 LYS CE . 16057 1 25 . 1 1 4 4 LYS N N 15 118.080 0.10 . 1 . . . . 42 LYS N . 16057 1 26 . 1 1 5 5 ARG H H 1 7.920 0.02 . 1 . . . . 43 ARG H . 16057 1 27 . 1 1 5 5 ARG HA H 1 4.060 0.02 . 1 . . . . 43 ARG HA . 16057 1 28 . 1 1 5 5 ARG HB2 H 1 1.880 0.02 . 1 . . . . 43 ARG HB2 . 16057 1 29 . 1 1 5 5 ARG HB3 H 1 1.880 0.02 . 1 . . . . 43 ARG HB3 . 16057 1 30 . 1 1 5 5 ARG HD2 H 1 3.150 0.02 . 1 . . . . 43 ARG HD2 . 16057 1 31 . 1 1 5 5 ARG HD3 H 1 3.150 0.02 . 1 . . . . 43 ARG HD3 . 16057 1 32 . 1 1 5 5 ARG HG2 H 1 1.750 0.02 . 1 . . . . 43 ARG HG2 . 16057 1 33 . 1 1 5 5 ARG HG3 H 1 1.750 0.02 . 1 . . . . 43 ARG HG3 . 16057 1 34 . 1 1 5 5 ARG C C 13 177.798 0.10 . 1 . . . . 43 ARG C . 16057 1 35 . 1 1 5 5 ARG CA C 13 56.640 0.10 . 1 . . . . 43 ARG CA . 16057 1 36 . 1 1 5 5 ARG CB C 13 27.200 0.10 . 1 . . . . 43 ARG CB . 16057 1 37 . 1 1 5 5 ARG CD C 13 40.720 0.10 . 1 . . . . 43 ARG CD . 16057 1 38 . 1 1 5 5 ARG N N 15 117.720 0.10 . 1 . . . . 43 ARG N . 16057 1 39 . 1 1 6 6 LEU H H 1 7.660 0.02 . 1 . . . . 44 LEU H . 16057 1 40 . 1 1 6 6 LEU HA H 1 4.100 0.02 . 1 . . . . 44 LEU HA . 16057 1 41 . 1 1 6 6 LEU HB2 H 1 1.330 0.02 . 1 . . . . 44 LEU HB2 . 16057 1 42 . 1 1 6 6 LEU HB3 H 1 1.840 0.02 . 1 . . . . 44 LEU HB3 . 16057 1 43 . 1 1 6 6 LEU HD11 H 1 0.670 0.02 . 1 . . . . 44 LEU HD1 . 16057 1 44 . 1 1 6 6 LEU HD12 H 1 0.670 0.02 . 1 . . . . 44 LEU HD1 . 16057 1 45 . 1 1 6 6 LEU HD13 H 1 0.670 0.02 . 1 . . . . 44 LEU HD1 . 16057 1 46 . 1 1 6 6 LEU HD21 H 1 0.730 0.02 . 1 . . . . 44 LEU HD2 . 16057 1 47 . 1 1 6 6 LEU HD22 H 1 0.730 0.02 . 1 . . . . 44 LEU HD2 . 16057 1 48 . 1 1 6 6 LEU HD23 H 1 0.730 0.02 . 1 . . . . 44 LEU HD2 . 16057 1 49 . 1 1 6 6 LEU HG H 1 1.670 0.02 . 1 . . . . 44 LEU HG . 16057 1 50 . 1 1 6 6 LEU C C 13 176.114 0.10 . 1 . . . . 44 LEU C . 16057 1 51 . 1 1 6 6 LEU CA C 13 55.100 0.10 . 1 . . . . 44 LEU CA . 16057 1 52 . 1 1 6 6 LEU CB C 13 39.570 0.10 . 1 . . . . 44 LEU CB . 16057 1 53 . 1 1 6 6 LEU CD1 C 13 23.300 0.10 . 1 . . . . 44 LEU CD1 . 16057 1 54 . 1 1 6 6 LEU CD2 C 13 20.780 0.10 . 1 . . . . 44 LEU CD2 . 16057 1 55 . 1 1 6 6 LEU CG C 13 24.850 0.10 . 1 . . . . 44 LEU CG . 16057 1 56 . 1 1 6 6 LEU N N 15 121.040 0.10 . 1 . . . . 44 LEU N . 16057 1 57 . 1 1 7 7 LEU H H 1 7.520 0.02 . 1 . . . . 45 LEU H . 16057 1 58 . 1 1 7 7 LEU HA H 1 4.350 0.02 . 1 . . . . 45 LEU HA . 16057 1 59 . 1 1 7 7 LEU HB2 H 1 1.650 0.02 . 1 . . . . 45 LEU HB2 . 16057 1 60 . 1 1 7 7 LEU HB3 H 1 1.650 0.02 . 1 . . . . 45 LEU HB3 . 16057 1 61 . 1 1 7 7 LEU HD11 H 1 0.720 0.02 . 1 . . . . 45 LEU HD1 . 16057 1 62 . 1 1 7 7 LEU HD12 H 1 0.720 0.02 . 1 . . . . 45 LEU HD1 . 16057 1 63 . 1 1 7 7 LEU HD13 H 1 0.720 0.02 . 1 . . . . 45 LEU HD1 . 16057 1 64 . 1 1 7 7 LEU HD21 H 1 0.750 0.02 . 1 . . . . 45 LEU HD2 . 16057 1 65 . 1 1 7 7 LEU HD22 H 1 0.750 0.02 . 1 . . . . 45 LEU HD2 . 16057 1 66 . 1 1 7 7 LEU HD23 H 1 0.750 0.02 . 1 . . . . 45 LEU HD2 . 16057 1 67 . 1 1 7 7 LEU HG H 1 1.720 0.02 . 1 . . . . 45 LEU HG . 16057 1 68 . 1 1 7 7 LEU C C 13 172.937 0.10 . 1 . . . . 45 LEU C . 16057 1 69 . 1 1 7 7 LEU CA C 13 51.480 0.10 . 1 . . . . 45 LEU CA . 16057 1 70 . 1 1 7 7 LEU CB C 13 40.300 0.10 . 1 . . . . 45 LEU CB . 16057 1 71 . 1 1 7 7 LEU CD1 C 13 18.820 0.10 . 1 . . . . 45 LEU CD1 . 16057 1 72 . 1 1 7 7 LEU CD2 C 13 22.240 0.10 . 1 . . . . 45 LEU CD2 . 16057 1 73 . 1 1 7 7 LEU CG C 13 24.000 0.10 . 1 . . . . 45 LEU CG . 16057 1 74 . 1 1 7 7 LEU N N 15 116.660 0.10 . 1 . . . . 45 LEU N . 16057 1 75 . 1 1 8 8 SER H H 1 7.840 0.02 . 1 . . . . 46 SER H . 16057 1 76 . 1 1 8 8 SER HA H 1 3.960 0.02 . 1 . . . . 46 SER HA . 16057 1 77 . 1 1 8 8 SER HB2 H 1 4.020 0.02 . 1 . . . . 46 SER HB2 . 16057 1 78 . 1 1 8 8 SER HB3 H 1 4.020 0.02 . 1 . . . . 46 SER HB3 . 16057 1 79 . 1 1 8 8 SER CA C 13 56.360 0.10 . 1 . . . . 46 SER CA . 16057 1 80 . 1 1 8 8 SER CB C 13 58.870 0.10 . 1 . . . . 46 SER CB . 16057 1 81 . 1 1 8 8 SER N N 15 113.750 0.10 . 1 . . . . 46 SER N . 16057 1 82 . 1 1 9 9 ILE H H 1 8.290 0.02 . 1 . . . . 47 ILE H . 16057 1 83 . 1 1 9 9 ILE HA H 1 4.230 0.02 . 1 . . . . 47 ILE HA . 16057 1 84 . 1 1 9 9 ILE HB H 1 1.530 0.02 . 1 . . . . 47 ILE HB . 16057 1 85 . 1 1 9 9 ILE HD11 H 1 0.770 0.02 . 1 . . . . 47 ILE HD1 . 16057 1 86 . 1 1 9 9 ILE HD12 H 1 0.770 0.02 . 1 . . . . 47 ILE HD1 . 16057 1 87 . 1 1 9 9 ILE HD13 H 1 0.770 0.02 . 1 . . . . 47 ILE HD1 . 16057 1 88 . 1 1 9 9 ILE HG12 H 1 1.580 0.02 . 1 . . . . 47 ILE HG12 . 16057 1 89 . 1 1 9 9 ILE HG13 H 1 1.000 0.02 . 1 . . . . 47 ILE HG13 . 16057 1 90 . 1 1 9 9 ILE HG21 H 1 1.190 0.02 . 1 . . . . 47 ILE HG2 . 16057 1 91 . 1 1 9 9 ILE HG22 H 1 1.190 0.02 . 1 . . . . 47 ILE HG2 . 16057 1 92 . 1 1 9 9 ILE HG23 H 1 1.190 0.02 . 1 . . . . 47 ILE HG2 . 16057 1 93 . 1 1 9 9 ILE C C 13 174.540 0.10 . 1 . . . . 47 ILE C . 16057 1 94 . 1 1 9 9 ILE CA C 13 58.680 0.10 . 1 . . . . 47 ILE CA . 16057 1 95 . 1 1 9 9 ILE CB C 13 36.912 0.10 . 1 . . . . 47 ILE CB . 16057 1 96 . 1 1 9 9 ILE CD1 C 13 11.570 0.10 . 1 . . . . 47 ILE CD1 . 16057 1 97 . 1 1 9 9 ILE CG1 C 13 24.350 0.10 . 1 . . . . 47 ILE CG1 . 16057 1 98 . 1 1 9 9 ILE CG2 C 13 15.960 0.10 . 1 . . . . 47 ILE CG2 . 16057 1 99 . 1 1 9 9 ILE N N 15 119.850 0.10 . 1 . . . . 47 ILE N . 16057 1 100 . 1 1 10 10 THR H H 1 8.760 0.02 . 1 . . . . 48 THR H . 16057 1 101 . 1 1 10 10 THR HA H 1 4.465 0.02 . 1 . . . . 48 THR HA . 16057 1 102 . 1 1 10 10 THR HB H 1 4.490 0.02 . 1 . . . . 48 THR HB . 16057 1 103 . 1 1 10 10 THR HG21 H 1 1.070 0.02 . 1 . . . . 48 THR HG1 . 16057 1 104 . 1 1 10 10 THR HG22 H 1 1.070 0.02 . 1 . . . . 48 THR HG1 . 16057 1 105 . 1 1 10 10 THR HG23 H 1 1.070 0.02 . 1 . . . . 48 THR HG1 . 16057 1 106 . 1 1 10 10 THR C C 13 171.266 0.10 . 1 . . . . 48 THR C . 16057 1 107 . 1 1 10 10 THR CA C 13 58.390 0.10 . 1 . . . . 48 THR CA . 16057 1 108 . 1 1 10 10 THR CB C 13 66.310 0.10 . 1 . . . . 48 THR CB . 16057 1 109 . 1 1 10 10 THR CG2 C 13 18.530 0.10 . 1 . . . . 48 THR CG2 . 16057 1 110 . 1 1 10 10 THR N N 15 117.590 0.10 . 1 . . . . 48 THR N . 16057 1 111 . 1 1 11 11 ASN H H 1 7.360 0.02 . 1 . . . . 49 ASN H . 16057 1 112 . 1 1 11 11 ASN HA H 1 4.909 0.02 . 1 . . . . 49 ASN HA . 16057 1 113 . 1 1 11 11 ASN HB2 H 1 3.154 0.02 . 1 . . . . 49 ASN HB2 . 16057 1 114 . 1 1 11 11 ASN HB3 H 1 2.900 0.02 . 1 . . . . 49 ASN HB3 . 16057 1 115 . 1 1 11 11 ASN HD21 H 1 6.890 0.02 . 1 . . . . 49 ASN HD21 . 16057 1 116 . 1 1 11 11 ASN HD22 H 1 7.640 0.02 . 1 . . . . 49 ASN HD22 . 16057 1 117 . 1 1 11 11 ASN C C 13 172.506 0.10 . 1 . . . . 49 ASN C . 16057 1 118 . 1 1 11 11 ASN CA C 13 49.430 0.10 . 1 . . . . 49 ASN CA . 16057 1 119 . 1 1 11 11 ASN CB C 13 37.420 0.10 . 1 . . . . 49 ASN CB . 16057 1 120 . 1 1 11 11 ASN N N 15 113.560 0.10 . 1 . . . . 49 ASN N . 16057 1 121 . 1 1 11 11 ASN ND2 N 15 118.640 0.10 . 1 . . . . 49 ASN ND2 . 16057 1 122 . 1 1 12 12 ASP H H 1 8.256 0.02 . 1 . . . . 50 ASP H . 16057 1 123 . 1 1 12 12 ASP HA H 1 4.650 0.02 . 1 . . . . 50 ASP HA . 16057 1 124 . 1 1 12 12 ASP HB2 H 1 2.900 0.02 . 1 . . . . 50 ASP HB2 . 16057 1 125 . 1 1 12 12 ASP HB3 H 1 2.608 0.02 . 1 . . . . 50 ASP HB3 . 16057 1 126 . 1 1 12 12 ASP C C 13 176.400 0.10 . 1 . . . . 50 ASP C . 16057 1 127 . 1 1 12 12 ASP CA C 13 51.210 0.10 . 1 . . . . 50 ASP CA . 16057 1 128 . 1 1 12 12 ASP CB C 13 38.080 0.10 . 1 . . . . 50 ASP CB . 16057 1 129 . 1 1 12 12 ASP N N 15 117.210 0.10 . 1 . . . . 50 ASP N . 16057 1 130 . 1 1 13 13 LYS H H 1 7.895 0.02 . 1 . . . . 51 LYS H . 16057 1 131 . 1 1 13 13 LYS HA H 1 3.840 0.02 . 1 . . . . 51 LYS HA . 16057 1 132 . 1 1 13 13 LYS HB2 H 1 1.370 0.02 . 1 . . . . 51 LYS HB2 . 16057 1 133 . 1 1 13 13 LYS HB3 H 1 1.510 0.02 . 1 . . . . 51 LYS HB3 . 16057 1 134 . 1 1 13 13 LYS HD2 H 1 1.520 0.02 . 1 . . . . 51 LYS HD2 . 16057 1 135 . 1 1 13 13 LYS HD3 H 1 1.520 0.02 . 1 . . . . 51 LYS HD3 . 16057 1 136 . 1 1 13 13 LYS HE2 H 1 2.870 0.02 . 1 . . . . 51 LYS HE2 . 16057 1 137 . 1 1 13 13 LYS HE3 H 1 2.870 0.02 . 1 . . . . 51 LYS HE3 . 16057 1 138 . 1 1 13 13 LYS HG2 H 1 1.097 0.02 . 1 . . . . 51 LYS HG2 . 16057 1 139 . 1 1 13 13 LYS HG3 H 1 1.097 0.02 . 1 . . . . 51 LYS HG3 . 16057 1 140 . 1 1 13 13 LYS C C 13 174.700 0.10 . 1 . . . . 51 LYS C . 16057 1 141 . 1 1 13 13 LYS CA C 13 56.320 0.10 . 1 . . . . 51 LYS CA . 16057 1 142 . 1 1 13 13 LYS CB C 13 29.760 0.10 . 1 . . . . 51 LYS CB . 16057 1 143 . 1 1 13 13 LYS CD C 13 26.320 0.10 . 1 . . . . 51 LYS CD . 16057 1 144 . 1 1 13 13 LYS CE C 13 39.170 0.10 . 1 . . . . 51 LYS CE . 16057 1 145 . 1 1 13 13 LYS CG C 13 22.160 0.10 . 1 . . . . 51 LYS CG . 16057 1 146 . 1 1 13 13 LYS N N 15 120.500 0.10 . 1 . . . . 51 LYS N . 16057 1 147 . 1 1 14 14 HIS H H 1 9.000 0.02 . 1 . . . . 52 HIS H . 16057 1 148 . 1 1 14 14 HIS HA H 1 5.120 0.02 . 1 . . . . 52 HIS HA . 16057 1 149 . 1 1 14 14 HIS HB2 H 1 3.440 0.02 . 1 . . . . 52 HIS HB2 . 16057 1 150 . 1 1 14 14 HIS HB3 H 1 3.030 0.02 . 1 . . . . 52 HIS HB3 . 16057 1 151 . 1 1 14 14 HIS HD2 H 1 6.830 0.02 . 1 . . . . 52 HIS HD2 . 16057 1 152 . 1 1 14 14 HIS C C 13 173.200 0.10 . 1 . . . . 52 HIS C . 16057 1 153 . 1 1 14 14 HIS CA C 13 52.370 0.10 . 1 . . . . 52 HIS CA . 16057 1 154 . 1 1 14 14 HIS CB C 13 27.520 0.10 . 1 . . . . 52 HIS CB . 16057 1 155 . 1 1 14 14 HIS N N 15 116.200 0.10 . 1 . . . . 52 HIS N . 16057 1 156 . 1 1 15 15 ASP H H 1 7.640 0.02 . 1 . . . . 53 ASP H . 16057 1 157 . 1 1 15 15 ASP HA H 1 4.120 0.02 . 1 . . . . 53 ASP HA . 16057 1 158 . 1 1 15 15 ASP HB2 H 1 2.810 0.02 . 1 . . . . 53 ASP HB2 . 16057 1 159 . 1 1 15 15 ASP HB3 H 1 2.600 0.02 . 1 . . . . 53 ASP HB3 . 16057 1 160 . 1 1 15 15 ASP C C 13 176.183 0.10 . 1 . . . . 53 ASP C . 16057 1 161 . 1 1 15 15 ASP CA C 13 56.060 0.10 . 1 . . . . 53 ASP CA . 16057 1 162 . 1 1 15 15 ASP CB C 13 36.350 0.10 . 1 . . . . 53 ASP CB . 16057 1 163 . 1 1 15 15 ASP N N 15 122.780 0.10 . 1 . . . . 53 ASP N . 16057 1 164 . 1 1 16 16 GLU H H 1 8.890 0.02 . 1 . . . . 54 GLU H . 16057 1 165 . 1 1 16 16 GLU HA H 1 4.020 0.02 . 1 . . . . 54 GLU HA . 16057 1 166 . 1 1 16 16 GLU HB2 H 1 2.080 0.02 . 1 . . . . 54 GLU HB2 . 16057 1 167 . 1 1 16 16 GLU HB3 H 1 2.080 0.02 . 1 . . . . 54 GLU HB3 . 16057 1 168 . 1 1 16 16 GLU HG2 H 1 2.377 0.02 . 1 . . . . 54 GLU HG2 . 16057 1 169 . 1 1 16 16 GLU HG3 H 1 2.240 0.02 . 1 . . . . 54 GLU HG3 . 16057 1 170 . 1 1 16 16 GLU CA C 13 57.770 0.10 . 1 . . . . 54 GLU CA . 16057 1 171 . 1 1 16 16 GLU CB C 13 26.330 0.10 . 1 . . . . 54 GLU CB . 16057 1 172 . 1 1 16 16 GLU CG C 13 33.940 0.10 . 1 . . . . 54 GLU CG . 16057 1 173 . 1 1 16 16 GLU N N 15 122.770 0.10 . 1 . . . . 54 GLU N . 16057 1 174 . 1 1 17 17 TYR H H 1 8.130 0.02 . 1 . . . . 55 TYR H . 16057 1 175 . 1 1 17 17 TYR HA H 1 4.390 0.02 . 1 . . . . 55 TYR HA . 16057 1 176 . 1 1 17 17 TYR HB2 H 1 3.350 0.02 . 1 . . . . 55 TYR HB2 . 16057 1 177 . 1 1 17 17 TYR HB3 H 1 3.030 0.02 . 1 . . . . 55 TYR HB3 . 16057 1 178 . 1 1 17 17 TYR HD1 H 1 7.060 0.02 . 1 . . . . 55 TYR HD1 . 16057 1 179 . 1 1 17 17 TYR HE1 H 1 6.630 0.02 . 1 . . . . 55 TYR HE1 . 16057 1 180 . 1 1 17 17 TYR C C 13 175.213 0.10 . 1 . . . . 55 TYR C . 16057 1 181 . 1 1 17 17 TYR CA C 13 58.150 0.10 . 1 . . . . 55 TYR CA . 16057 1 182 . 1 1 17 17 TYR CB C 13 36.000 0.10 . 1 . . . . 55 TYR CB . 16057 1 183 . 1 1 17 17 TYR CE1 C 13 119.300 0.10 . 1 . . . . 55 TYR CE1 . 16057 1 184 . 1 1 17 17 TYR CE2 C 13 119.300 0.10 . 1 . . . . 55 TYR CE2 . 16057 1 185 . 1 1 17 17 TYR N N 15 121.000 0.10 . 1 . . . . 55 TYR N . 16057 1 186 . 1 1 18 18 LEU H H 1 8.740 0.02 . 1 . . . . 56 LEU H . 16057 1 187 . 1 1 18 18 LEU HA H 1 3.710 0.02 . 1 . . . . 56 LEU HA . 16057 1 188 . 1 1 18 18 LEU HB2 H 1 1.200 0.02 . 1 . . . . 56 LEU HB2 . 16057 1 189 . 1 1 18 18 LEU HB3 H 1 1.980 0.02 . 1 . . . . 56 LEU HB3 . 16057 1 190 . 1 1 18 18 LEU HD11 H 1 0.720 0.02 . 1 . . . . 56 LEU HD1 . 16057 1 191 . 1 1 18 18 LEU HD12 H 1 0.720 0.02 . 1 . . . . 56 LEU HD1 . 16057 1 192 . 1 1 18 18 LEU HD13 H 1 0.720 0.02 . 1 . . . . 56 LEU HD1 . 16057 1 193 . 1 1 18 18 LEU HD21 H 1 0.800 0.02 . 1 . . . . 56 LEU HD2 . 16057 1 194 . 1 1 18 18 LEU HD22 H 1 0.800 0.02 . 1 . . . . 56 LEU HD2 . 16057 1 195 . 1 1 18 18 LEU HD23 H 1 0.800 0.02 . 1 . . . . 56 LEU HD2 . 16057 1 196 . 1 1 18 18 LEU HG H 1 2.080 0.02 . 1 . . . . 56 LEU HG . 16057 1 197 . 1 1 18 18 LEU C C 13 175.500 0.10 . 1 . . . . 56 LEU C . 16057 1 198 . 1 1 18 18 LEU CA C 13 55.470 0.10 . 1 . . . . 56 LEU CA . 16057 1 199 . 1 1 18 18 LEU CB C 13 39.920 0.10 . 1 . . . . 56 LEU CB . 16057 1 200 . 1 1 18 18 LEU CD1 C 13 19.620 0.10 . 1 . . . . 56 LEU CD1 . 16057 1 201 . 1 1 18 18 LEU CD2 C 13 23.950 0.10 . 1 . . . . 56 LEU CD2 . 16057 1 202 . 1 1 18 18 LEU CG C 13 24.440 0.10 . 1 . . . . 56 LEU CG . 16057 1 203 . 1 1 18 18 LEU N N 15 118.100 0.10 . 1 . . . . 56 LEU N . 16057 1 204 . 1 1 19 19 THR H H 1 8.420 0.02 . 1 . . . . 57 THR H . 16057 1 205 . 1 1 19 19 THR HA H 1 3.820 0.02 . 1 . . . . 57 THR HA . 16057 1 206 . 1 1 19 19 THR HB H 1 4.340 0.02 . 1 . . . . 57 THR HB . 16057 1 207 . 1 1 19 19 THR HG21 H 1 1.260 0.02 . 1 . . . . 57 THR HG1 . 16057 1 208 . 1 1 19 19 THR HG22 H 1 1.260 0.02 . 1 . . . . 57 THR HG1 . 16057 1 209 . 1 1 19 19 THR HG23 H 1 1.260 0.02 . 1 . . . . 57 THR HG1 . 16057 1 210 . 1 1 19 19 THR C C 13 172.234 0.10 . 1 . . . . 57 THR C . 16057 1 211 . 1 1 19 19 THR CA C 13 64.220 0.10 . 1 . . . . 57 THR CA . 16057 1 212 . 1 1 19 19 THR CB C 13 66.050 0.10 . 1 . . . . 57 THR CB . 16057 1 213 . 1 1 19 19 THR CG2 C 13 18.460 0.10 . 1 . . . . 57 THR CG2 . 16057 1 214 . 1 1 19 19 THR N N 15 114.940 0.10 . 1 . . . . 57 THR N . 16057 1 215 . 1 1 20 20 GLU H H 1 7.087 0.02 . 1 . . . . 58 GLU H . 16057 1 216 . 1 1 20 20 GLU HA H 1 4.320 0.02 . 1 . . . . 58 GLU HA . 16057 1 217 . 1 1 20 20 GLU HB2 H 1 2.060 0.02 . 1 . . . . 58 GLU HB2 . 16057 1 218 . 1 1 20 20 GLU HB3 H 1 2.060 0.02 . 1 . . . . 58 GLU HB3 . 16057 1 219 . 1 1 20 20 GLU HG2 H 1 2.160 0.02 . 1 . . . . 58 GLU HG2 . 16057 1 220 . 1 1 20 20 GLU HG3 H 1 2.310 0.02 . 1 . . . . 58 GLU HG3 . 16057 1 221 . 1 1 20 20 GLU C C 13 175.554 0.10 . 1 . . . . 58 GLU C . 16057 1 222 . 1 1 20 20 GLU CA C 13 55.170 0.10 . 1 . . . . 58 GLU CA . 16057 1 223 . 1 1 20 20 GLU CB C 13 27.920 0.10 . 1 . . . . 58 GLU CB . 16057 1 224 . 1 1 20 20 GLU CG C 13 33.660 0.10 . 1 . . . . 58 GLU CG . 16057 1 225 . 1 1 20 20 GLU N N 15 117.800 0.10 . 1 . . . . 58 GLU N . 16057 1 226 . 1 1 21 21 MET H H 1 8.320 0.02 . 1 . . . . 59 MET H . 16057 1 227 . 1 1 21 21 MET HA H 1 4.330 0.02 . 1 . . . . 59 MET HA . 16057 1 228 . 1 1 21 21 MET HB2 H 1 1.420 0.02 . 1 . . . . 59 MET HB2 . 16057 1 229 . 1 1 21 21 MET HB3 H 1 1.520 0.02 . 1 . . . . 59 MET HB3 . 16057 1 230 . 1 1 21 21 MET HE1 H 1 1.370 0.02 . 1 . . . . 59 MET HE . 16057 1 231 . 1 1 21 21 MET HE2 H 1 1.370 0.02 . 1 . . . . 59 MET HE . 16057 1 232 . 1 1 21 21 MET HE3 H 1 1.370 0.02 . 1 . . . . 59 MET HE . 16057 1 233 . 1 1 21 21 MET HG2 H 1 2.160 0.02 . 1 . . . . 59 MET HG2 . 16057 1 234 . 1 1 21 21 MET HG3 H 1 2.010 0.02 . 1 . . . . 59 MET HG3 . 16057 1 235 . 1 1 21 21 MET C C 13 175.330 0.10 . 1 . . . . 59 MET C . 16057 1 236 . 1 1 21 21 MET CA C 13 54.270 0.10 . 1 . . . . 59 MET CA . 16057 1 237 . 1 1 21 21 MET CB C 13 30.620 0.10 . 1 . . . . 59 MET CB . 16057 1 238 . 1 1 21 21 MET CE C 13 14.410 0.10 . 1 . . . . 59 MET CE . 16057 1 239 . 1 1 21 21 MET CG C 13 29.310 0.10 . 1 . . . . 59 MET CG . 16057 1 240 . 1 1 21 21 MET N N 15 116.300 0.10 . 1 . . . . 59 MET N . 16057 1 241 . 1 1 22 22 VAL H H 1 8.800 0.02 . 1 . . . . 60 VAL H . 16057 1 242 . 1 1 22 22 VAL HA H 1 3.630 0.02 . 1 . . . . 60 VAL HA . 16057 1 243 . 1 1 22 22 VAL HB H 1 2.360 0.02 . 1 . . . . 60 VAL HB . 16057 1 244 . 1 1 22 22 VAL HG11 H 1 0.940 0.02 . 1 . . . . 60 VAL HG1 . 16057 1 245 . 1 1 22 22 VAL HG12 H 1 0.940 0.02 . 1 . . . . 60 VAL HG1 . 16057 1 246 . 1 1 22 22 VAL HG13 H 1 0.940 0.02 . 1 . . . . 60 VAL HG1 . 16057 1 247 . 1 1 22 22 VAL HG21 H 1 0.940 0.02 . 1 . . . . 60 VAL HG2 . 16057 1 248 . 1 1 22 22 VAL HG22 H 1 0.940 0.02 . 1 . . . . 60 VAL HG2 . 16057 1 249 . 1 1 22 22 VAL HG23 H 1 0.940 0.02 . 1 . . . . 60 VAL HG2 . 16057 1 250 . 1 1 22 22 VAL C C 13 172.042 0.10 . 1 . . . . 60 VAL C . 16057 1 251 . 1 1 22 22 VAL CA C 13 66.980 0.10 . 1 . . . . 60 VAL CA . 16057 1 252 . 1 1 22 22 VAL CB C 13 26.120 0.10 . 1 . . . . 60 VAL CB . 16057 1 253 . 1 1 22 22 VAL CG1 C 13 22.670 0.10 . 1 . . . . 60 VAL CG1 . 16057 1 254 . 1 1 22 22 VAL CG2 C 13 22.670 0.10 . 1 . . . . 60 VAL CG2 . 16057 1 255 . 1 1 22 22 VAL N N 15 117.600 0.10 . 1 . . . . 60 VAL N . 16057 1 256 . 1 1 23 23 PRO HA H 1 4.270 0.02 . 1 . . . . 61 PRO HA . 16057 1 257 . 1 1 23 23 PRO HB2 H 1 2.310 0.02 . 1 . . . . 61 PRO HB2 . 16057 1 258 . 1 1 23 23 PRO HB3 H 1 1.830 0.02 . 1 . . . . 61 PRO HB3 . 16057 1 259 . 1 1 23 23 PRO HD2 H 1 3.450 0.02 . 1 . . . . 61 PRO HD2 . 16057 1 260 . 1 1 23 23 PRO HD3 H 1 3.580 0.02 . 1 . . . . 61 PRO HD3 . 16057 1 261 . 1 1 23 23 PRO HG2 H 1 2.170 0.02 . 1 . . . . 61 PRO HG2 . 16057 1 262 . 1 1 23 23 PRO HG3 H 1 2.030 0.02 . 1 . . . . 61 PRO HG3 . 16057 1 263 . 1 1 23 23 PRO C C 13 177.110 0.10 . 1 . . . . 61 PRO C . 16057 1 264 . 1 1 23 23 PRO CA C 13 63.460 0.10 . 1 . . . . 61 PRO CA . 16057 1 265 . 1 1 23 23 PRO CB C 13 28.400 0.10 . 1 . . . . 61 PRO CB . 16057 1 266 . 1 1 23 23 PRO CD C 13 47.160 0.10 . 1 . . . . 61 PRO CD . 16057 1 267 . 1 1 24 24 LEU H H 1 6.700 0.02 . 1 . . . . 62 LEU H . 16057 1 268 . 1 1 24 24 LEU HA H 1 4.250 0.02 . 1 . . . . 62 LEU HA . 16057 1 269 . 1 1 24 24 LEU HB2 H 1 1.720 0.02 . 1 . . . . 62 LEU HB2 . 16057 1 270 . 1 1 24 24 LEU HB3 H 1 2.200 0.02 . 1 . . . . 62 LEU HB3 . 16057 1 271 . 1 1 24 24 LEU HD11 H 1 0.980 0.02 . 1 . . . . 62 LEU HD1 . 16057 1 272 . 1 1 24 24 LEU HD12 H 1 0.980 0.02 . 1 . . . . 62 LEU HD1 . 16057 1 273 . 1 1 24 24 LEU HD13 H 1 0.980 0.02 . 1 . . . . 62 LEU HD1 . 16057 1 274 . 1 1 24 24 LEU HD21 H 1 0.980 0.02 . 1 . . . . 62 LEU HD2 . 16057 1 275 . 1 1 24 24 LEU HD22 H 1 0.980 0.02 . 1 . . . . 62 LEU HD2 . 16057 1 276 . 1 1 24 24 LEU HD23 H 1 0.980 0.02 . 1 . . . . 62 LEU HD2 . 16057 1 277 . 1 1 24 24 LEU HG H 1 2.030 0.02 . 1 . . . . 62 LEU HG . 16057 1 278 . 1 1 24 24 LEU C C 13 177.872 0.10 . 1 . . . . 62 LEU C . 16057 1 279 . 1 1 24 24 LEU CA C 13 55.130 0.10 . 1 . . . . 62 LEU CA . 16057 1 280 . 1 1 24 24 LEU CB C 13 39.440 0.10 . 1 . . . . 62 LEU CB . 16057 1 281 . 1 1 24 24 LEU CD1 C 13 23.450 0.10 . 1 . . . . 62 LEU CD1 . 16057 1 282 . 1 1 24 24 LEU CD2 C 13 23.450 0.10 . 1 . . . . 62 LEU CD2 . 16057 1 283 . 1 1 24 24 LEU CG C 13 23.630 0.10 . 1 . . . . 62 LEU CG . 16057 1 284 . 1 1 24 24 LEU N N 15 115.750 0.10 . 1 . . . . 62 LEU N . 16057 1 285 . 1 1 25 25 LEU H H 1 8.190 0.02 . 1 . . . . 63 LEU H . 16057 1 286 . 1 1 25 25 LEU HA H 1 3.920 0.02 . 1 . . . . 63 LEU HA . 16057 1 287 . 1 1 25 25 LEU HB2 H 1 1.210 0.02 . 1 . . . . 63 LEU HB2 . 16057 1 288 . 1 1 25 25 LEU HB3 H 1 2.110 0.02 . 1 . . . . 63 LEU HB3 . 16057 1 289 . 1 1 25 25 LEU HD11 H 1 -0.030 0.02 . 1 . . . . 63 LEU HD1 . 16057 1 290 . 1 1 25 25 LEU HD12 H 1 -0.030 0.02 . 1 . . . . 63 LEU HD1 . 16057 1 291 . 1 1 25 25 LEU HD13 H 1 -0.030 0.02 . 1 . . . . 63 LEU HD1 . 16057 1 292 . 1 1 25 25 LEU HD21 H 1 0.720 0.02 . 1 . . . . 63 LEU HD2 . 16057 1 293 . 1 1 25 25 LEU HD22 H 1 0.720 0.02 . 1 . . . . 63 LEU HD2 . 16057 1 294 . 1 1 25 25 LEU HD23 H 1 0.720 0.02 . 1 . . . . 63 LEU HD2 . 16057 1 295 . 1 1 25 25 LEU HG H 1 1.410 0.02 . 1 . . . . 63 LEU HG . 16057 1 296 . 1 1 25 25 LEU C C 13 176.367 0.10 . 1 . . . . 63 LEU C . 16057 1 297 . 1 1 25 25 LEU CA C 13 54.950 0.10 . 1 . . . . 63 LEU CA . 16057 1 298 . 1 1 25 25 LEU CB C 13 41.090 0.10 . 1 . . . . 63 LEU CB . 16057 1 299 . 1 1 25 25 LEU CD1 C 13 20.140 0.10 . 1 . . . . 63 LEU CD1 . 16057 1 300 . 1 1 25 25 LEU CD2 C 13 24.200 0.10 . 1 . . . . 63 LEU CD2 . 16057 1 301 . 1 1 25 25 LEU CG C 13 24.700 0.10 . 1 . . . . 63 LEU CG . 16057 1 302 . 1 1 25 25 LEU N N 15 121.800 0.10 . 1 . . . . 63 LEU N . 16057 1 303 . 1 1 26 26 VAL H H 1 8.590 0.02 . 1 . . . . 64 VAL H . 16057 1 304 . 1 1 26 26 VAL HA H 1 3.480 0.02 . 1 . . . . 64 VAL HA . 16057 1 305 . 1 1 26 26 VAL HB H 1 2.180 0.02 . 1 . . . . 64 VAL HB . 16057 1 306 . 1 1 26 26 VAL HG11 H 1 0.960 0.02 . 1 . . . . 64 VAL HG1 . 16057 1 307 . 1 1 26 26 VAL HG12 H 1 0.960 0.02 . 1 . . . . 64 VAL HG1 . 16057 1 308 . 1 1 26 26 VAL HG13 H 1 0.960 0.02 . 1 . . . . 64 VAL HG1 . 16057 1 309 . 1 1 26 26 VAL HG21 H 1 1.020 0.02 . 1 . . . . 64 VAL HG2 . 16057 1 310 . 1 1 26 26 VAL HG22 H 1 1.020 0.02 . 1 . . . . 64 VAL HG2 . 16057 1 311 . 1 1 26 26 VAL HG23 H 1 1.020 0.02 . 1 . . . . 64 VAL HG2 . 16057 1 312 . 1 1 26 26 VAL C C 13 174.801 0.10 . 1 . . . . 64 VAL C . 16057 1 313 . 1 1 26 26 VAL CA C 13 64.860 0.10 . 1 . . . . 64 VAL CA . 16057 1 314 . 1 1 26 26 VAL CB C 13 28.900 0.10 . 1 . . . . 64 VAL CB . 16057 1 315 . 1 1 26 26 VAL CG1 C 13 19.420 0.10 . 1 . . . . 64 VAL CG1 . 16057 1 316 . 1 1 26 26 VAL CG2 C 13 21.770 0.10 . 1 . . . . 64 VAL CG2 . 16057 1 317 . 1 1 26 26 VAL N N 15 120.990 0.10 . 1 . . . . 64 VAL N . 16057 1 318 . 1 1 27 27 GLU H H 1 8.090 0.02 . 1 . . . . 65 GLU H . 16057 1 319 . 1 1 27 27 GLU HA H 1 3.970 0.02 . 1 . . . . 65 GLU HA . 16057 1 320 . 1 1 27 27 GLU HB2 H 1 2.170 0.02 . 1 . . . . 65 GLU HB2 . 16057 1 321 . 1 1 27 27 GLU HB3 H 1 2.230 0.02 . 1 . . . . 65 GLU HB3 . 16057 1 322 . 1 1 27 27 GLU HG2 H 1 2.420 0.02 . 1 . . . . 65 GLU HG2 . 16057 1 323 . 1 1 27 27 GLU HG3 H 1 2.420 0.02 . 1 . . . . 65 GLU HG3 . 16057 1 324 . 1 1 27 27 GLU C C 13 176.169 0.10 . 1 . . . . 65 GLU C . 16057 1 325 . 1 1 27 27 GLU CA C 13 56.990 0.10 . 1 . . . . 65 GLU CA . 16057 1 326 . 1 1 27 27 GLU CB C 13 26.540 0.10 . 1 . . . . 65 GLU CB . 16057 1 327 . 1 1 27 27 GLU CG C 13 33.980 0.10 . 1 . . . . 65 GLU CG . 16057 1 328 . 1 1 27 27 GLU N N 15 118.990 0.10 . 1 . . . . 65 GLU N . 16057 1 329 . 1 1 28 28 PHE H H 1 8.075 0.02 . 1 . . . . 66 PHE H . 16057 1 330 . 1 1 28 28 PHE HA H 1 4.570 0.02 . 1 . . . . 66 PHE HA . 16057 1 331 . 1 1 28 28 PHE HB2 H 1 3.190 0.02 . 1 . . . . 66 PHE HB2 . 16057 1 332 . 1 1 28 28 PHE HB3 H 1 3.580 0.02 . 1 . . . . 66 PHE HB3 . 16057 1 333 . 1 1 28 28 PHE HD1 H 1 7.390 0.02 . 1 . . . . 66 PHE HD1 . 16057 1 334 . 1 1 28 28 PHE HD2 H 1 7.390 0.02 . 1 . . . . 66 PHE HD2 . 16057 1 335 . 1 1 28 28 PHE HE1 H 1 7.210 0.02 . 1 . . . . 66 PHE HE1 . 16057 1 336 . 1 1 28 28 PHE HZ H 1 7.020 0.02 . 1 . . . . 66 PHE HZ . 16057 1 337 . 1 1 28 28 PHE C C 13 173.482 0.10 . 1 . . . . 66 PHE C . 16057 1 338 . 1 1 28 28 PHE CA C 13 58.390 0.10 . 1 . . . . 66 PHE CA . 16057 1 339 . 1 1 28 28 PHE CB C 13 36.680 0.10 . 1 . . . . 66 PHE CB . 16057 1 340 . 1 1 28 28 PHE N N 15 119.000 0.10 . 1 . . . . 66 PHE N . 16057 1 341 . 1 1 29 29 ALA H H 1 8.420 0.02 . 1 . . . . 67 ALA H . 16057 1 342 . 1 1 29 29 ALA HA H 1 3.500 0.02 . 1 . . . . 67 ALA HA . 16057 1 343 . 1 1 29 29 ALA HB1 H 1 1.490 0.02 . 1 . . . . 67 ALA HB . 16057 1 344 . 1 1 29 29 ALA HB2 H 1 1.490 0.02 . 1 . . . . 67 ALA HB . 16057 1 345 . 1 1 29 29 ALA HB3 H 1 1.490 0.02 . 1 . . . . 67 ALA HB . 16057 1 346 . 1 1 29 29 ALA C C 13 176.624 0.10 . 1 . . . . 67 ALA C . 16057 1 347 . 1 1 29 29 ALA CA C 13 52.800 0.10 . 1 . . . . 67 ALA CA . 16057 1 348 . 1 1 29 29 ALA CB C 13 15.290 0.10 . 1 . . . . 67 ALA CB . 16057 1 349 . 1 1 29 29 ALA N N 15 121.810 0.10 . 1 . . . . 67 ALA N . 16057 1 350 . 1 1 30 30 LYS H H 1 8.227 0.02 . 1 . . . . 68 LYS H . 16057 1 351 . 1 1 30 30 LYS HA H 1 4.090 0.02 . 1 . . . . 68 LYS HA . 16057 1 352 . 1 1 30 30 LYS HB2 H 1 1.860 0.02 . 1 . . . . 68 LYS HB2 . 16057 1 353 . 1 1 30 30 LYS HB3 H 1 1.860 0.02 . 1 . . . . 68 LYS HB3 . 16057 1 354 . 1 1 30 30 LYS HD2 H 1 1.620 0.02 . 1 . . . . 68 LYS HD2 . 16057 1 355 . 1 1 30 30 LYS HD3 H 1 1.620 0.02 . 1 . . . . 68 LYS HD3 . 16057 1 356 . 1 1 30 30 LYS HE2 H 1 2.980 0.02 . 1 . . . . 68 LYS HE2 . 16057 1 357 . 1 1 30 30 LYS HE3 H 1 2.980 0.02 . 1 . . . . 68 LYS HE3 . 16057 1 358 . 1 1 30 30 LYS HG2 H 1 1.370 0.02 . 1 . . . . 68 LYS HG2 . 16057 1 359 . 1 1 30 30 LYS HG3 H 1 1.370 0.02 . 1 . . . . 68 LYS HG3 . 16057 1 360 . 1 1 30 30 LYS C C 13 177.400 0.10 . 1 . . . . 68 LYS C . 16057 1 361 . 1 1 30 30 LYS CA C 13 56.700 0.10 . 1 . . . . 68 LYS CA . 16057 1 362 . 1 1 30 30 LYS CB C 13 31.230 0.10 . 1 . . . . 68 LYS CB . 16057 1 363 . 1 1 30 30 LYS CD C 13 26.320 0.10 . 1 . . . . 68 LYS CD . 16057 1 364 . 1 1 30 30 LYS CE C 13 39.440 0.10 . 1 . . . . 68 LYS CE . 16057 1 365 . 1 1 30 30 LYS CG C 13 21.730 0.10 . 1 . . . . 68 LYS CG . 16057 1 366 . 1 1 30 30 LYS N N 15 117.500 0.10 . 1 . . . . 68 LYS N . 16057 1 367 . 1 1 31 31 ASP H H 1 7.820 0.02 . 1 . . . . 69 ASP H . 16057 1 368 . 1 1 31 31 ASP HA H 1 4.210 0.02 . 1 . . . . 69 ASP HA . 16057 1 369 . 1 1 31 31 ASP HB2 H 1 2.630 0.02 . 1 . . . . 69 ASP HB2 . 16057 1 370 . 1 1 31 31 ASP HB3 H 1 2.740 0.02 . 1 . . . . 69 ASP HB3 . 16057 1 371 . 1 1 31 31 ASP C C 13 176.438 0.10 . 1 . . . . 69 ASP C . 16057 1 372 . 1 1 31 31 ASP CA C 13 54.310 0.10 . 1 . . . . 69 ASP CA . 16057 1 373 . 1 1 31 31 ASP CB C 13 38.320 0.10 . 1 . . . . 69 ASP CB . 16057 1 374 . 1 1 31 31 ASP N N 15 120.370 0.10 . 1 . . . . 69 ASP N . 16057 1 375 . 1 1 32 32 GLU H H 1 8.840 0.02 . 1 . . . . 70 GLU H . 16057 1 376 . 1 1 32 32 GLU HA H 1 3.730 0.02 . 1 . . . . 70 GLU HA . 16057 1 377 . 1 1 32 32 GLU HB2 H 1 1.290 0.02 . 1 . . . . 70 GLU HB2 . 16057 1 378 . 1 1 32 32 GLU HB3 H 1 1.290 0.02 . 1 . . . . 70 GLU HB3 . 16057 1 379 . 1 1 32 32 GLU HG2 H 1 1.520 0.02 . 1 . . . . 70 GLU HG2 . 16057 1 380 . 1 1 32 32 GLU HG3 H 1 1.610 0.02 . 1 . . . . 70 GLU HG3 . 16057 1 381 . 1 1 32 32 GLU C C 13 176.119 0.10 . 1 . . . . 70 GLU C . 16057 1 382 . 1 1 32 32 GLU CA C 13 55.270 0.10 . 1 . . . . 70 GLU CA . 16057 1 383 . 1 1 32 32 GLU CB C 13 26.810 0.10 . 1 . . . . 70 GLU CB . 16057 1 384 . 1 1 32 32 GLU CG C 13 32.710 0.10 . 1 . . . . 70 GLU CG . 16057 1 385 . 1 1 32 32 GLU N N 15 120.750 0.10 . 1 . . . . 70 GLU N . 16057 1 386 . 1 1 33 33 CYS H H 1 7.960 0.02 . 1 . . . . 71 CYS H . 16057 1 387 . 1 1 33 33 CYS HA H 1 4.070 0.02 . 1 . . . . 71 CYS HA . 16057 1 388 . 1 1 33 33 CYS HB2 H 1 3.270 0.02 . 1 . . . . 71 CYS HB2 . 16057 1 389 . 1 1 33 33 CYS HB3 H 1 2.810 0.02 . 1 . . . . 71 CYS HB3 . 16057 1 390 . 1 1 33 33 CYS C C 13 170.993 0.10 . 1 . . . . 71 CYS C . 16057 1 391 . 1 1 33 33 CYS CA C 13 58.160 0.10 . 1 . . . . 71 CYS CA . 16057 1 392 . 1 1 33 33 CYS CB C 13 26.000 0.10 . 1 . . . . 71 CYS CB . 16057 1 393 . 1 1 33 33 CYS N N 15 111.530 0.10 . 1 . . . . 71 CYS N . 16057 1 394 . 1 1 34 34 HIS H H 1 7.560 0.02 . 1 . . . . 72 HIS H . 16057 1 395 . 1 1 34 34 HIS HA H 1 4.040 0.02 . 1 . . . . 72 HIS HA . 16057 1 396 . 1 1 34 34 HIS HB2 H 1 3.370 0.02 . 1 . . . . 72 HIS HB2 . 16057 1 397 . 1 1 34 34 HIS HB3 H 1 3.220 0.02 . 1 . . . . 72 HIS HB3 . 16057 1 398 . 1 1 34 34 HIS C C 13 170.400 0.10 . 1 . . . . 72 HIS C . 16057 1 399 . 1 1 34 34 HIS CA C 13 53.230 0.10 . 1 . . . . 72 HIS CA . 16057 1 400 . 1 1 34 34 HIS CB C 13 23.830 0.10 . 1 . . . . 72 HIS CB . 16057 1 401 . 1 1 34 34 HIS N N 15 118.100 0.10 . 1 . . . . 72 HIS N . 16057 1 402 . 1 1 35 35 ASN H H 1 7.590 0.02 . 1 . . . . 73 ASN H . 16057 1 403 . 1 1 35 35 ASN HA H 1 4.805 0.02 . 1 . . . . 73 ASN HA . 16057 1 404 . 1 1 35 35 ASN HB2 H 1 2.190 0.02 . 1 . . . . 73 ASN HB2 . 16057 1 405 . 1 1 35 35 ASN HB3 H 1 2.190 0.02 . 1 . . . . 73 ASN HB3 . 16057 1 406 . 1 1 35 35 ASN HD21 H 1 7.400 0.02 . 1 . . . . 73 ASN HD21 . 16057 1 407 . 1 1 35 35 ASN HD22 H 1 8.050 0.02 . 1 . . . . 73 ASN HD22 . 16057 1 408 . 1 1 35 35 ASN C C 13 170.429 0.10 . 1 . . . . 73 ASN C . 16057 1 409 . 1 1 35 35 ASN CA C 13 46.130 0.10 . 1 . . . . 73 ASN CA . 16057 1 410 . 1 1 35 35 ASN CB C 13 39.580 0.10 . 1 . . . . 73 ASN CB . 16057 1 411 . 1 1 35 35 ASN N N 15 112.400 0.10 . 1 . . . . 73 ASN N . 16057 1 412 . 1 1 35 35 ASN ND2 N 15 114.610 0.10 . 1 . . . . 73 ASN ND2 . 16057 1 413 . 1 1 36 36 PRO HA H 1 4.120 0.02 . 1 . . . . 74 PRO HA . 16057 1 414 . 1 1 36 36 PRO HB2 H 1 1.910 0.02 . 1 . . . . 74 PRO HB2 . 16057 1 415 . 1 1 36 36 PRO HB3 H 1 2.120 0.02 . 1 . . . . 74 PRO HB3 . 16057 1 416 . 1 1 36 36 PRO HD2 H 1 3.470 0.02 . 1 . . . . 74 PRO HD2 . 16057 1 417 . 1 1 36 36 PRO HD3 H 1 3.800 0.02 . 1 . . . . 74 PRO HD3 . 16057 1 418 . 1 1 36 36 PRO HG2 H 1 1.920 0.02 . 1 . . . . 74 PRO HG2 . 16057 1 419 . 1 1 36 36 PRO HG3 H 1 1.920 0.02 . 1 . . . . 74 PRO HG3 . 16057 1 420 . 1 1 36 36 PRO C C 13 173.450 0.10 . 1 . . . . 74 PRO C . 16057 1 421 . 1 1 36 36 PRO CA C 13 59.950 0.10 . 1 . . . . 74 PRO CA . 16057 1 422 . 1 1 36 36 PRO CB C 13 29.200 0.10 . 1 . . . . 74 PRO CB . 16057 1 423 . 1 1 36 36 PRO CD C 13 47.400 0.10 . 1 . . . . 74 PRO CD . 16057 1 424 . 1 1 36 36 PRO CG C 13 24.150 0.10 . 1 . . . . 74 PRO CG . 16057 1 425 . 1 1 37 37 PHE H H 1 8.057 0.02 . 1 . . . . 75 PHE H . 16057 1 426 . 1 1 37 37 PHE HA H 1 4.200 0.02 . 1 . . . . 75 PHE HA . 16057 1 427 . 1 1 37 37 PHE HB2 H 1 3.210 0.02 . 1 . . . . 75 PHE HB2 . 16057 1 428 . 1 1 37 37 PHE HB3 H 1 3.050 0.02 . 1 . . . . 75 PHE HB3 . 16057 1 429 . 1 1 37 37 PHE HD1 H 1 7.020 0.02 . 1 . . . . 75 PHE HD1 . 16057 1 430 . 1 1 37 37 PHE HD2 H 1 7.000 0.02 . 1 . . . . 75 PHE HD2 . 16057 1 431 . 1 1 37 37 PHE HE1 H 1 6.870 0.02 . 1 . . . . 75 PHE HE1 . 16057 1 432 . 1 1 37 37 PHE C C 13 171.107 0.10 . 1 . . . . 75 PHE C . 16057 1 433 . 1 1 37 37 PHE CA C 13 55.120 0.10 . 1 . . . . 75 PHE CA . 16057 1 434 . 1 1 37 37 PHE CB C 13 33.760 0.10 . 1 . . . . 75 PHE CB . 16057 1 435 . 1 1 37 37 PHE CZ C 13 113.600 0.10 . 1 . . . . 75 PHE CZ . 16057 1 436 . 1 1 38 38 ILE H H 1 7.610 0.02 . 1 . . . . 76 ILE H . 16057 1 437 . 1 1 38 38 ILE HA H 1 4.870 0.02 . 1 . . . . 76 ILE HA . 16057 1 438 . 1 1 38 38 ILE HB H 1 1.580 0.02 . 1 . . . . 76 ILE HB . 16057 1 439 . 1 1 38 38 ILE HD11 H 1 0.780 0.02 . 1 . . . . 76 ILE HD1 . 16057 1 440 . 1 1 38 38 ILE HD12 H 1 0.780 0.02 . 1 . . . . 76 ILE HD1 . 16057 1 441 . 1 1 38 38 ILE HD13 H 1 0.780 0.02 . 1 . . . . 76 ILE HD1 . 16057 1 442 . 1 1 38 38 ILE HG12 H 1 0.920 0.02 . 1 . . . . 76 ILE HG12 . 16057 1 443 . 1 1 38 38 ILE HG13 H 1 1.420 0.02 . 1 . . . . 76 ILE HG13 . 16057 1 444 . 1 1 38 38 ILE HG21 H 1 0.780 0.02 . 1 . . . . 76 ILE HG2 . 16057 1 445 . 1 1 38 38 ILE HG22 H 1 0.780 0.02 . 1 . . . . 76 ILE HG2 . 16057 1 446 . 1 1 38 38 ILE HG23 H 1 0.780 0.02 . 1 . . . . 76 ILE HG2 . 16057 1 447 . 1 1 38 38 ILE C C 13 174.180 0.10 . 1 . . . . 76 ILE C . 16057 1 448 . 1 1 38 38 ILE CA C 13 56.300 0.10 . 1 . . . . 76 ILE CA . 16057 1 449 . 1 1 38 38 ILE CB C 13 38.040 0.10 . 1 . . . . 76 ILE CB . 16057 1 450 . 1 1 38 38 ILE CD1 C 13 9.920 0.10 . 1 . . . . 76 ILE CD1 . 16057 1 451 . 1 1 38 38 ILE CG1 C 13 23.430 0.10 . 1 . . . . 76 ILE CG1 . 16057 1 452 . 1 1 38 38 ILE CG2 C 13 14.640 0.10 . 1 . . . . 76 ILE CG2 . 16057 1 453 . 1 1 38 38 ILE N N 15 113.800 0.10 . 1 . . . . 76 ILE N . 16057 1 454 . 1 1 39 39 ASP H H 1 8.830 0.02 . 1 . . . . 77 ASP H . 16057 1 455 . 1 1 39 39 ASP HA H 1 4.710 0.02 . 1 . . . . 77 ASP HA . 16057 1 456 . 1 1 39 39 ASP HB2 H 1 3.420 0.02 . 1 . . . . 77 ASP HB2 . 16057 1 457 . 1 1 39 39 ASP HB3 H 1 2.720 0.02 . 1 . . . . 77 ASP HB3 . 16057 1 458 . 1 1 39 39 ASP C C 13 175.969 0.10 . 1 . . . . 77 ASP C . 16057 1 459 . 1 1 39 39 ASP CA C 13 49.800 0.10 . 1 . . . . 77 ASP CA . 16057 1 460 . 1 1 39 39 ASP CB C 13 39.180 0.10 . 1 . . . . 77 ASP CB . 16057 1 461 . 1 1 39 39 ASP N N 15 125.380 0.10 . 1 . . . . 77 ASP N . 16057 1 462 . 1 1 40 40 LYS H H 1 8.370 0.02 . 1 . . . . 78 LYS H . 16057 1 463 . 1 1 40 40 LYS HA H 1 4.100 0.02 . 1 . . . . 78 LYS HA . 16057 1 464 . 1 1 40 40 LYS HB2 H 1 1.900 0.02 . 1 . . . . 78 LYS HB2 . 16057 1 465 . 1 1 40 40 LYS HB3 H 1 1.900 0.02 . 1 . . . . 78 LYS HB3 . 16057 1 466 . 1 1 40 40 LYS HG2 H 1 1.410 0.02 . 1 . . . . 78 LYS HG2 . 16057 1 467 . 1 1 40 40 LYS HG3 H 1 1.410 0.02 . 1 . . . . 78 LYS HG3 . 16057 1 468 . 1 1 40 40 LYS C C 13 174.100 0.10 . 1 . . . . 78 LYS C . 16057 1 469 . 1 1 40 40 LYS CA C 13 55.800 0.10 . 1 . . . . 78 LYS CA . 16057 1 470 . 1 1 40 40 LYS CB C 13 29.120 0.10 . 1 . . . . 78 LYS CB . 16057 1 471 . 1 1 40 40 LYS N N 15 116.800 0.10 . 1 . . . . 78 LYS N . 16057 1 472 . 1 1 41 41 ASP H H 1 8.030 0.02 . 1 . . . . 79 ASP H . 16057 1 473 . 1 1 41 41 ASP HA H 1 4.810 0.02 . 1 . . . . 79 ASP HA . 16057 1 474 . 1 1 41 41 ASP HB2 H 1 2.615 0.02 . 1 . . . . 79 ASP HB2 . 16057 1 475 . 1 1 41 41 ASP HB3 H 1 2.860 0.02 . 1 . . . . 79 ASP HB3 . 16057 1 476 . 1 1 41 41 ASP C C 13 173.360 0.10 . 1 . . . . 79 ASP C . 16057 1 477 . 1 1 41 41 ASP CA C 13 51.650 0.10 . 1 . . . . 79 ASP CA . 16057 1 478 . 1 1 41 41 ASP CB C 13 39.570 0.10 . 1 . . . . 79 ASP CB . 16057 1 479 . 1 1 41 41 ASP N N 15 118.660 0.10 . 1 . . . . 79 ASP N . 16057 1 480 . 1 1 42 42 GLY H H 1 8.090 0.02 . 1 . . . . 80 GLY H . 16057 1 481 . 1 1 42 42 GLY HA2 H 1 4.230 0.02 . 1 . . . . 80 GLY HA2 . 16057 1 482 . 1 1 42 42 GLY HA3 H 1 3.490 0.02 . 1 . . . . 80 GLY HA3 . 16057 1 483 . 1 1 42 42 GLY C C 13 171.399 0.10 . 1 . . . . 80 GLY C . 16057 1 484 . 1 1 42 42 GLY CA C 13 42.720 0.10 . 1 . . . . 80 GLY CA . 16057 1 485 . 1 1 42 42 GLY N N 15 107.750 0.10 . 1 . . . . 80 GLY N . 16057 1 486 . 1 1 43 43 ASN H H 1 8.470 0.02 . 1 . . . . 81 ASN H . 16057 1 487 . 1 1 43 43 ASN HA H 1 4.815 0.02 . 1 . . . . 81 ASN HA . 16057 1 488 . 1 1 43 43 ASN HB2 H 1 2.915 0.02 . 1 . . . . 81 ASN HB2 . 16057 1 489 . 1 1 43 43 ASN HB3 H 1 2.600 0.02 . 1 . . . . 81 ASN HB3 . 16057 1 490 . 1 1 43 43 ASN HD21 H 1 7.090 0.02 . 1 . . . . 81 ASN HD21 . 16057 1 491 . 1 1 43 43 ASN HD22 H 1 8.300 0.02 . 1 . . . . 81 ASN HD22 . 16057 1 492 . 1 1 43 43 ASN C C 13 172.066 0.10 . 1 . . . . 81 ASN C . 16057 1 493 . 1 1 43 43 ASN CA C 13 49.580 0.10 . 1 . . . . 81 ASN CA . 16057 1 494 . 1 1 43 43 ASN CB C 13 36.800 0.10 . 1 . . . . 81 ASN CB . 16057 1 495 . 1 1 43 43 ASN N N 15 117.600 0.10 . 1 . . . . 81 ASN N . 16057 1 496 . 1 1 43 43 ASN ND2 N 15 120.000 0.10 . 1 . . . . 81 ASN ND2 . 16057 1 497 . 1 1 44 44 GLU H H 1 8.730 0.02 . 1 . . . . 82 GLU H . 16057 1 498 . 1 1 44 44 GLU HA H 1 4.370 0.02 . 1 . . . . 82 GLU HA . 16057 1 499 . 1 1 44 44 GLU HB2 H 1 2.010 0.02 . 1 . . . . 82 GLU HB2 . 16057 1 500 . 1 1 44 44 GLU HB3 H 1 2.010 0.02 . 1 . . . . 82 GLU HB3 . 16057 1 501 . 1 1 44 44 GLU HG2 H 1 2.100 0.02 . 1 . . . . 82 GLU HG2 . 16057 1 502 . 1 1 44 44 GLU HG3 H 1 2.220 0.02 . 1 . . . . 82 GLU HG3 . 16057 1 503 . 1 1 44 44 GLU C C 13 173.651 0.10 . 1 . . . . 82 GLU C . 16057 1 504 . 1 1 44 44 GLU CA C 13 55.170 0.10 . 1 . . . . 82 GLU CA . 16057 1 505 . 1 1 44 44 GLU CB C 13 27.740 0.10 . 1 . . . . 82 GLU CB . 16057 1 506 . 1 1 44 44 GLU CG C 13 34.840 0.10 . 1 . . . . 82 GLU CG . 16057 1 507 . 1 1 44 44 GLU N N 15 123.400 0.10 . 1 . . . . 82 GLU N . 16057 1 508 . 1 1 45 45 SER H H 1 8.960 0.02 . 1 . . . . 83 SER H . 16057 1 509 . 1 1 45 45 SER HA H 1 4.510 0.02 . 1 . . . . 83 SER HA . 16057 1 510 . 1 1 45 45 SER HB2 H 1 3.590 0.02 . 1 . . . . 83 SER HB2 . 16057 1 511 . 1 1 45 45 SER HB3 H 1 3.500 0.02 . 1 . . . . 83 SER HB3 . 16057 1 512 . 1 1 45 45 SER C C 13 170.100 0.10 . 1 . . . . 83 SER C . 16057 1 513 . 1 1 45 45 SER CA C 13 53.800 0.10 . 1 . . . . 83 SER CA . 16057 1 514 . 1 1 45 45 SER CB C 13 60.320 0.10 . 1 . . . . 83 SER CB . 16057 1 515 . 1 1 45 45 SER N N 15 123.400 0.10 . 1 . . . . 83 SER N . 16057 1 516 . 1 1 46 46 ILE H H 1 8.990 0.02 . 1 . . . . 84 ILE H . 16057 1 517 . 1 1 46 46 ILE HA H 1 3.880 0.02 . 1 . . . . 84 ILE HA . 16057 1 518 . 1 1 46 46 ILE HB H 1 1.760 0.02 . 1 . . . . 84 ILE HB . 16057 1 519 . 1 1 46 46 ILE HD11 H 1 0.570 0.02 . 1 . . . . 84 ILE HD1 . 16057 1 520 . 1 1 46 46 ILE HD12 H 1 0.570 0.02 . 1 . . . . 84 ILE HD1 . 16057 1 521 . 1 1 46 46 ILE HD13 H 1 0.570 0.02 . 1 . . . . 84 ILE HD1 . 16057 1 522 . 1 1 46 46 ILE HG12 H 1 1.440 0.02 . 1 . . . . 84 ILE HG12 . 16057 1 523 . 1 1 46 46 ILE HG13 H 1 1.440 0.02 . 1 . . . . 84 ILE HG13 . 16057 1 524 . 1 1 46 46 ILE HG21 H 1 0.510 0.02 . 1 . . . . 84 ILE HG2 . 16057 1 525 . 1 1 46 46 ILE HG22 H 1 0.510 0.02 . 1 . . . . 84 ILE HG2 . 16057 1 526 . 1 1 46 46 ILE HG23 H 1 0.510 0.02 . 1 . . . . 84 ILE HG2 . 16057 1 527 . 1 1 46 46 ILE C C 13 177.600 0.10 . 1 . . . . 84 ILE C . 16057 1 528 . 1 1 46 46 ILE CA C 13 55.490 0.10 . 1 . . . . 84 ILE CA . 16057 1 529 . 1 1 46 46 ILE CB C 13 34.850 0.10 . 1 . . . . 84 ILE CB . 16057 1 530 . 1 1 46 46 ILE CD1 C 13 9.410 0.10 . 1 . . . . 84 ILE CD1 . 16057 1 531 . 1 1 46 46 ILE CG1 C 13 24.730 0.10 . 1 . . . . 84 ILE CG1 . 16057 1 532 . 1 1 46 46 ILE CG2 C 13 14.300 0.10 . 1 . . . . 84 ILE CG2 . 16057 1 533 . 1 1 46 46 ILE N N 15 127.800 0.10 . 1 . . . . 84 ILE N . 16057 1 534 . 1 1 47 47 PRO HA H 1 3.840 0.02 . 1 . . . . 85 PRO HA . 16057 1 535 . 1 1 47 47 PRO HB2 H 1 1.910 0.02 . 1 . . . . 85 PRO HB2 . 16057 1 536 . 1 1 47 47 PRO HB3 H 1 1.910 0.02 . 1 . . . . 85 PRO HB3 . 16057 1 537 . 1 1 47 47 PRO HD2 H 1 2.230 0.02 . 1 . . . . 85 PRO HD2 . 16057 1 538 . 1 1 47 47 PRO HD3 H 1 3.760 0.02 . 1 . . . . 85 PRO HD3 . 16057 1 539 . 1 1 47 47 PRO HG2 H 1 1.290 0.02 . 1 . . . . 85 PRO HG2 . 16057 1 540 . 1 1 47 47 PRO HG3 H 1 1.780 0.02 . 1 . . . . 85 PRO HG3 . 16057 1 541 . 1 1 47 47 PRO C C 13 172.918 0.10 . 1 . . . . 85 PRO C . 16057 1 542 . 1 1 47 47 PRO CA C 13 61.880 0.10 . 1 . . . . 85 PRO CA . 16057 1 543 . 1 1 47 47 PRO CB C 13 34.920 0.10 . 1 . . . . 85 PRO CB . 16057 1 544 . 1 1 47 47 PRO CD C 13 48.230 0.10 . 1 . . . . 85 PRO CD . 16057 1 545 . 1 1 47 47 PRO CG C 13 24.840 0.10 . 1 . . . . 85 PRO CG . 16057 1 546 . 1 1 48 48 SER H H 1 7.780 0.02 . 1 . . . . 86 SER H . 16057 1 547 . 1 1 48 48 SER C C 13 174.554 0.10 . 1 . . . . 86 SER C . 16057 1 548 . 1 1 49 49 GLY H H 1 8.230 0.02 . 1 . . . . 87 GLY H . 16057 1 549 . 1 1 49 49 GLY HA2 H 1 4.300 0.02 . 1 . . . . 87 GLY HA2 . 16057 1 550 . 1 1 49 49 GLY HA3 H 1 3.950 0.02 . 1 . . . . 87 GLY HA3 . 16057 1 551 . 1 1 49 49 GLY C C 13 173.507 0.10 . 1 . . . . 87 GLY C . 16057 1 552 . 1 1 49 49 GLY CA C 13 44.600 0.10 . 1 . . . . 87 GLY CA . 16057 1 553 . 1 1 49 49 GLY N N 15 105.900 0.10 . 1 . . . . 87 GLY N . 16057 1 554 . 1 1 50 50 VAL H H 1 6.855 0.02 . 1 . . . . 88 VAL H . 16057 1 555 . 1 1 50 50 VAL HA H 1 3.510 0.02 . 1 . . . . 88 VAL HA . 16057 1 556 . 1 1 50 50 VAL HB H 1 1.580 0.02 . 1 . . . . 88 VAL HB . 16057 1 557 . 1 1 50 50 VAL HG11 H 1 -0.050 0.02 . 1 . . . . 88 VAL HG1 . 16057 1 558 . 1 1 50 50 VAL HG12 H 1 -0.050 0.02 . 1 . . . . 88 VAL HG1 . 16057 1 559 . 1 1 50 50 VAL HG13 H 1 -0.050 0.02 . 1 . . . . 88 VAL HG1 . 16057 1 560 . 1 1 50 50 VAL HG21 H 1 0.530 0.02 . 1 . . . . 88 VAL HG2 . 16057 1 561 . 1 1 50 50 VAL HG22 H 1 0.530 0.02 . 1 . . . . 88 VAL HG2 . 16057 1 562 . 1 1 50 50 VAL HG23 H 1 0.530 0.02 . 1 . . . . 88 VAL HG2 . 16057 1 563 . 1 1 50 50 VAL C C 13 174.450 0.10 . 1 . . . . 88 VAL C . 16057 1 564 . 1 1 50 50 VAL CA C 13 62.420 0.10 . 1 . . . . 88 VAL CA . 16057 1 565 . 1 1 50 50 VAL CB C 13 28.000 0.10 . 1 . . . . 88 VAL CB . 16057 1 566 . 1 1 50 50 VAL CG1 C 13 20.140 0.10 . 1 . . . . 88 VAL CG1 . 16057 1 567 . 1 1 50 50 VAL CG2 C 13 18.500 0.10 . 1 . . . . 88 VAL CG2 . 16057 1 568 . 1 1 50 50 VAL N N 15 119.950 0.10 . 1 . . . . 88 VAL N . 16057 1 569 . 1 1 51 51 LEU H H 1 7.360 0.02 . 1 . . . . 89 LEU H . 16057 1 570 . 1 1 51 51 LEU HA H 1 3.570 0.02 . 1 . . . . 89 LEU HA . 16057 1 571 . 1 1 51 51 LEU HB2 H 1 1.610 0.02 . 1 . . . . 89 LEU HB2 . 16057 1 572 . 1 1 51 51 LEU HB3 H 1 1.650 0.02 . 1 . . . . 89 LEU HB3 . 16057 1 573 . 1 1 51 51 LEU HD11 H 1 0.490 0.02 . 1 . . . . 89 LEU HD1 . 16057 1 574 . 1 1 51 51 LEU HD12 H 1 0.490 0.02 . 1 . . . . 89 LEU HD1 . 16057 1 575 . 1 1 51 51 LEU HD13 H 1 0.490 0.02 . 1 . . . . 89 LEU HD1 . 16057 1 576 . 1 1 51 51 LEU HD21 H 1 0.490 0.02 . 1 . . . . 89 LEU HD2 . 16057 1 577 . 1 1 51 51 LEU HD22 H 1 0.490 0.02 . 1 . . . . 89 LEU HD2 . 16057 1 578 . 1 1 51 51 LEU HD23 H 1 0.490 0.02 . 1 . . . . 89 LEU HD2 . 16057 1 579 . 1 1 51 51 LEU HG H 1 1.150 0.02 . 1 . . . . 89 LEU HG . 16057 1 580 . 1 1 51 51 LEU C C 13 175.078 0.10 . 1 . . . . 89 LEU C . 16057 1 581 . 1 1 51 51 LEU CA C 13 55.490 0.10 . 1 . . . . 89 LEU CA . 16057 1 582 . 1 1 51 51 LEU CB C 13 37.320 0.10 . 1 . . . . 89 LEU CB . 16057 1 583 . 1 1 51 51 LEU CD1 C 13 21.710 0.10 . 1 . . . . 89 LEU CD1 . 16057 1 584 . 1 1 51 51 LEU CD2 C 13 21.710 0.10 . 1 . . . . 89 LEU CD2 . 16057 1 585 . 1 1 51 51 LEU CG C 13 24.120 0.10 . 1 . . . . 89 LEU CG . 16057 1 586 . 1 1 51 51 LEU N N 15 122.100 0.10 . 1 . . . . 89 LEU N . 16057 1 587 . 1 1 52 52 ILE H H 1 7.770 0.02 . 1 . . . . 90 ILE H . 16057 1 588 . 1 1 52 52 ILE HA H 1 3.600 0.02 . 1 . . . . 90 ILE HA . 16057 1 589 . 1 1 52 52 ILE HB H 1 1.950 0.02 . 1 . . . . 90 ILE HB . 16057 1 590 . 1 1 52 52 ILE HD11 H 1 0.820 0.02 . 1 . . . . 90 ILE HD1 . 16057 1 591 . 1 1 52 52 ILE HD12 H 1 0.820 0.02 . 1 . . . . 90 ILE HD1 . 16057 1 592 . 1 1 52 52 ILE HD13 H 1 0.820 0.02 . 1 . . . . 90 ILE HD1 . 16057 1 593 . 1 1 52 52 ILE HG12 H 1 1.160 0.02 . 1 . . . . 90 ILE HG12 . 16057 1 594 . 1 1 52 52 ILE HG13 H 1 1.620 0.02 . 1 . . . . 90 ILE HG13 . 16057 1 595 . 1 1 52 52 ILE HG21 H 1 0.910 0.02 . 1 . . . . 90 ILE HG2 . 16057 1 596 . 1 1 52 52 ILE HG22 H 1 0.910 0.02 . 1 . . . . 90 ILE HG2 . 16057 1 597 . 1 1 52 52 ILE HG23 H 1 0.910 0.02 . 1 . . . . 90 ILE HG2 . 16057 1 598 . 1 1 52 52 ILE C C 13 175.000 0.10 . 1 . . . . 90 ILE C . 16057 1 599 . 1 1 52 52 ILE CA C 13 62.720 0.10 . 1 . . . . 90 ILE CA . 16057 1 600 . 1 1 52 52 ILE CB C 13 34.510 0.10 . 1 . . . . 90 ILE CB . 16057 1 601 . 1 1 52 52 ILE CD1 C 13 10.080 0.10 . 1 . . . . 90 ILE CD1 . 16057 1 602 . 1 1 52 52 ILE CG1 C 13 26.430 0.10 . 1 . . . . 90 ILE CG1 . 16057 1 603 . 1 1 52 52 ILE CG2 C 13 15.250 0.10 . 1 . . . . 90 ILE CG2 . 16057 1 604 . 1 1 52 52 ILE N N 15 117.460 0.10 . 1 . . . . 90 ILE N . 16057 1 605 . 1 1 53 53 PHE H H 1 7.400 0.02 . 1 . . . . 91 PHE H . 16057 1 606 . 1 1 53 53 PHE HA H 1 3.900 0.02 . 1 . . . . 91 PHE HA . 16057 1 607 . 1 1 53 53 PHE HB2 H 1 3.470 0.02 . 1 . . . . 91 PHE HB2 . 16057 1 608 . 1 1 53 53 PHE HB3 H 1 3.000 0.02 . 1 . . . . 91 PHE HB3 . 16057 1 609 . 1 1 53 53 PHE HD1 H 1 7.190 0.02 . 1 . . . . 91 PHE HD1 . 16057 1 610 . 1 1 53 53 PHE HD2 H 1 7.190 0.02 . 1 . . . . 91 PHE HD2 . 16057 1 611 . 1 1 53 53 PHE HE1 H 1 7.070 0.02 . 1 . . . . 91 PHE HE1 . 16057 1 612 . 1 1 53 53 PHE HZ H 1 7.000 0.02 . 1 . . . . 91 PHE HZ . 16057 1 613 . 1 1 53 53 PHE C C 13 172.073 0.10 . 1 . . . . 91 PHE C . 16057 1 614 . 1 1 53 53 PHE CA C 13 59.340 0.10 . 1 . . . . 91 PHE CA . 16057 1 615 . 1 1 53 53 PHE CB C 13 35.540 0.10 . 1 . . . . 91 PHE CB . 16057 1 616 . 1 1 53 53 PHE N N 15 119.280 0.10 . 1 . . . . 91 PHE N . 16057 1 617 . 1 1 54 54 VAL H H 1 8.450 0.02 . 1 . . . . 92 VAL H . 16057 1 618 . 1 1 54 54 VAL HA H 1 2.850 0.02 . 1 . . . . 92 VAL HA . 16057 1 619 . 1 1 54 54 VAL HB H 1 2.150 0.02 . 1 . . . . 92 VAL HB . 16057 1 620 . 1 1 54 54 VAL HG11 H 1 0.890 0.02 . 1 . . . . 92 VAL HG1 . 16057 1 621 . 1 1 54 54 VAL HG12 H 1 0.890 0.02 . 1 . . . . 92 VAL HG1 . 16057 1 622 . 1 1 54 54 VAL HG13 H 1 0.890 0.02 . 1 . . . . 92 VAL HG1 . 16057 1 623 . 1 1 54 54 VAL HG21 H 1 1.100 0.02 . 1 . . . . 92 VAL HG2 . 16057 1 624 . 1 1 54 54 VAL HG22 H 1 1.100 0.02 . 1 . . . . 92 VAL HG2 . 16057 1 625 . 1 1 54 54 VAL HG23 H 1 1.100 0.02 . 1 . . . . 92 VAL HG2 . 16057 1 626 . 1 1 54 54 VAL C C 13 174.300 0.10 . 1 . . . . 92 VAL C . 16057 1 627 . 1 1 54 54 VAL CA C 13 63.860 0.10 . 1 . . . . 92 VAL CA . 16057 1 628 . 1 1 54 54 VAL CB C 13 28.570 0.10 . 1 . . . . 92 VAL CB . 16057 1 629 . 1 1 54 54 VAL CG1 C 13 19.850 0.10 . 1 . . . . 92 VAL CG1 . 16057 1 630 . 1 1 54 54 VAL CG2 C 13 20.460 0.10 . 1 . . . . 92 VAL CG2 . 16057 1 631 . 1 1 54 54 VAL N N 15 119.170 0.10 . 1 . . . . 92 VAL N . 16057 1 632 . 1 1 55 55 ALA H H 1 8.615 0.02 . 1 . . . . 93 ALA H . 16057 1 633 . 1 1 55 55 ALA HA H 1 3.750 0.02 . 1 . . . . 93 ALA HA . 16057 1 634 . 1 1 55 55 ALA HB1 H 1 1.350 0.02 . 1 . . . . 93 ALA HB . 16057 1 635 . 1 1 55 55 ALA HB2 H 1 1.350 0.02 . 1 . . . . 93 ALA HB . 16057 1 636 . 1 1 55 55 ALA HB3 H 1 1.350 0.02 . 1 . . . . 93 ALA HB . 16057 1 637 . 1 1 55 55 ALA C C 13 176.294 0.10 . 1 . . . . 93 ALA C . 16057 1 638 . 1 1 55 55 ALA CA C 13 52.800 0.10 . 1 . . . . 93 ALA CA . 16057 1 639 . 1 1 55 55 ALA CB C 13 16.050 0.10 . 1 . . . . 93 ALA CB . 16057 1 640 . 1 1 55 55 ALA N N 15 120.170 0.10 . 1 . . . . 93 ALA N . 16057 1 641 . 1 1 56 56 LYS H H 1 8.548 0.02 . 1 . . . . 94 LYS H . 16057 1 642 . 1 1 56 56 LYS HA H 1 3.980 0.02 . 1 . . . . 94 LYS HA . 16057 1 643 . 1 1 56 56 LYS HB2 H 1 1.820 0.02 . 1 . . . . 94 LYS HB2 . 16057 1 644 . 1 1 56 56 LYS HB3 H 1 1.620 0.02 . 1 . . . . 94 LYS HB3 . 16057 1 645 . 1 1 56 56 LYS HE2 H 1 2.950 0.02 . 1 . . . . 94 LYS HE2 . 16057 1 646 . 1 1 56 56 LYS HE3 H 1 2.950 0.02 . 1 . . . . 94 LYS HE3 . 16057 1 647 . 1 1 56 56 LYS HG2 H 1 1.510 0.02 . 1 . . . . 94 LYS HG2 . 16057 1 648 . 1 1 56 56 LYS HG3 H 1 1.510 0.02 . 1 . . . . 94 LYS HG3 . 16057 1 649 . 1 1 56 56 LYS C C 13 177.600 0.10 . 1 . . . . 94 LYS C . 16057 1 650 . 1 1 56 56 LYS CA C 13 55.800 0.10 . 1 . . . . 94 LYS CA . 16057 1 651 . 1 1 56 56 LYS CB C 13 29.500 0.10 . 1 . . . . 94 LYS CB . 16057 1 652 . 1 1 56 56 LYS CE C 13 39.650 0.10 . 1 . . . . 94 LYS CE . 16057 1 653 . 1 1 56 56 LYS CG C 13 23.090 0.10 . 1 . . . . 94 LYS CG . 16057 1 654 . 1 1 56 56 LYS N N 15 115.200 0.10 . 1 . . . . 94 LYS N . 16057 1 655 . 1 1 57 57 ALA H H 1 8.840 0.02 . 1 . . . . 95 ALA H . 16057 1 656 . 1 1 57 57 ALA HA H 1 3.940 0.02 . 1 . . . . 95 ALA HA . 16057 1 657 . 1 1 57 57 ALA HB1 H 1 0.880 0.02 . 1 . . . . 95 ALA HB . 16057 1 658 . 1 1 57 57 ALA HB2 H 1 0.880 0.02 . 1 . . . . 95 ALA HB . 16057 1 659 . 1 1 57 57 ALA HB3 H 1 0.880 0.02 . 1 . . . . 95 ALA HB . 16057 1 660 . 1 1 57 57 ALA C C 13 175.754 0.10 . 1 . . . . 95 ALA C . 16057 1 661 . 1 1 57 57 ALA CA C 13 52.670 0.10 . 1 . . . . 95 ALA CA . 16057 1 662 . 1 1 57 57 ALA CB C 13 16.070 0.10 . 1 . . . . 95 ALA CB . 16057 1 663 . 1 1 57 57 ALA N N 15 124.210 0.10 . 1 . . . . 95 ALA N . 16057 1 664 . 1 1 58 58 ALA H H 1 8.816 0.02 . 1 . . . . 96 ALA H . 16057 1 665 . 1 1 58 58 ALA HA H 1 4.043 0.02 . 1 . . . . 96 ALA HA . 16057 1 666 . 1 1 58 58 ALA HB1 H 1 1.280 0.02 . 1 . . . . 96 ALA HB . 16057 1 667 . 1 1 58 58 ALA HB2 H 1 1.280 0.02 . 1 . . . . 96 ALA HB . 16057 1 668 . 1 1 58 58 ALA HB3 H 1 1.280 0.02 . 1 . . . . 96 ALA HB . 16057 1 669 . 1 1 58 58 ALA C C 13 177.600 0.10 . 1 . . . . 96 ALA C . 16057 1 670 . 1 1 58 58 ALA CA C 13 52.770 0.10 . 1 . . . . 96 ALA CA . 16057 1 671 . 1 1 58 58 ALA CB C 13 13.560 0.10 . 1 . . . . 96 ALA CB . 16057 1 672 . 1 1 58 58 ALA N N 15 120.500 0.10 . 1 . . . . 96 ALA N . 16057 1 673 . 1 1 59 59 GLN H H 1 8.490 0.02 . 1 . . . . 97 GLN H . 16057 1 674 . 1 1 59 59 GLN HA H 1 3.960 0.02 . 1 . . . . 97 GLN HA . 16057 1 675 . 1 1 59 59 GLN HB2 H 1 2.170 0.02 . 1 . . . . 97 GLN HB2 . 16057 1 676 . 1 1 59 59 GLN HB3 H 1 2.220 0.02 . 1 . . . . 97 GLN HB3 . 16057 1 677 . 1 1 59 59 GLN HE21 H 1 6.870 0.02 . 1 . . . . 97 GLN HE21 . 16057 1 678 . 1 1 59 59 GLN HE22 H 1 7.590 0.02 . 1 . . . . 97 GLN HE22 . 16057 1 679 . 1 1 59 59 GLN HG2 H 1 2.290 0.02 . 1 . . . . 97 GLN HG2 . 16057 1 680 . 1 1 59 59 GLN HG3 H 1 2.220 0.02 . 1 . . . . 97 GLN HG3 . 16057 1 681 . 1 1 59 59 GLN C C 13 175.100 0.10 . 1 . . . . 97 GLN C . 16057 1 682 . 1 1 59 59 GLN CA C 13 56.370 0.10 . 1 . . . . 97 GLN CA . 16057 1 683 . 1 1 59 59 GLN CB C 13 26.500 0.10 . 1 . . . . 97 GLN CB . 16057 1 684 . 1 1 59 59 GLN N N 15 118.750 0.10 . 1 . . . . 97 GLN N . 16057 1 685 . 1 1 59 59 GLN NE2 N 15 112.500 0.10 . 1 . . . . 97 GLN NE2 . 16057 1 686 . 1 1 60 60 PHE H H 1 8.020 0.02 . 1 . . . . 98 PHE H . 16057 1 687 . 1 1 60 60 PHE HA H 1 4.120 0.02 . 1 . . . . 98 PHE HA . 16057 1 688 . 1 1 60 60 PHE HB2 H 1 3.310 0.02 . 1 . . . . 98 PHE HB2 . 16057 1 689 . 1 1 60 60 PHE HB3 H 1 3.040 0.02 . 1 . . . . 98 PHE HB3 . 16057 1 690 . 1 1 60 60 PHE HD1 H 1 6.690 0.02 . 1 . . . . 98 PHE HD1 . 16057 1 691 . 1 1 60 60 PHE HD2 H 1 6.690 0.02 . 1 . . . . 98 PHE HD2 . 16057 1 692 . 1 1 60 60 PHE HE1 H 1 6.850 0.02 . 1 . . . . 98 PHE HE1 . 16057 1 693 . 1 1 60 60 PHE HZ H 1 7.100 0.02 . 1 . . . . 98 PHE HZ . 16057 1 694 . 1 1 60 60 PHE C C 13 174.780 0.10 . 1 . . . . 98 PHE C . 16057 1 695 . 1 1 60 60 PHE CA C 13 58.650 0.10 . 1 . . . . 98 PHE CA . 16057 1 696 . 1 1 60 60 PHE CB C 13 35.240 0.10 . 1 . . . . 98 PHE CB . 16057 1 697 . 1 1 60 60 PHE N N 15 122.380 0.10 . 1 . . . . 98 PHE N . 16057 1 698 . 1 1 61 61 TYR H H 1 7.900 0.02 . 1 . . . . 99 TYR H . 16057 1 699 . 1 1 61 61 TYR HA H 1 3.900 0.02 . 1 . . . . 99 TYR HA . 16057 1 700 . 1 1 61 61 TYR HB2 H 1 3.340 0.02 . 1 . . . . 99 TYR HB2 . 16057 1 701 . 1 1 61 61 TYR HB3 H 1 2.970 0.02 . 1 . . . . 99 TYR HB3 . 16057 1 702 . 1 1 61 61 TYR HD1 H 1 7.210 0.02 . 1 . . . . 99 TYR HD1 . 16057 1 703 . 1 1 61 61 TYR HE1 H 1 6.710 0.02 . 1 . . . . 99 TYR HE1 . 16057 1 704 . 1 1 61 61 TYR C C 13 175.494 0.10 . 1 . . . . 99 TYR C . 16057 1 705 . 1 1 61 61 TYR CA C 13 60.600 0.10 . 1 . . . . 99 TYR CA . 16057 1 706 . 1 1 61 61 TYR CB C 13 36.120 0.10 . 1 . . . . 99 TYR CB . 16057 1 707 . 1 1 61 61 TYR N N 15 118.100 0.10 . 1 . . . . 99 TYR N . 16057 1 708 . 1 1 62 62 MET H H 1 8.170 0.02 . 1 . . . . 100 MET H . 16057 1 709 . 1 1 62 62 MET HA H 1 3.810 0.02 . 1 . . . . 100 MET HA . 16057 1 710 . 1 1 62 62 MET HB2 H 1 2.090 0.02 . 1 . . . . 100 MET HB2 . 16057 1 711 . 1 1 62 62 MET HB3 H 1 1.910 0.02 . 1 . . . . 100 MET HB3 . 16057 1 712 . 1 1 62 62 MET HE1 H 1 1.530 0.02 . 1 . . . . 100 MET HE . 16057 1 713 . 1 1 62 62 MET HE2 H 1 1.530 0.02 . 1 . . . . 100 MET HE . 16057 1 714 . 1 1 62 62 MET HE3 H 1 1.530 0.02 . 1 . . . . 100 MET HE . 16057 1 715 . 1 1 62 62 MET HG2 H 1 2.480 0.02 . 1 . . . . 100 MET HG2 . 16057 1 716 . 1 1 62 62 MET HG3 H 1 2.480 0.02 . 1 . . . . 100 MET HG3 . 16057 1 717 . 1 1 62 62 MET C C 13 175.130 0.10 . 1 . . . . 100 MET C . 16057 1 718 . 1 1 62 62 MET CA C 13 56.270 0.10 . 1 . . . . 100 MET CA . 16057 1 719 . 1 1 62 62 MET CB C 13 31.260 0.10 . 1 . . . . 100 MET CB . 16057 1 720 . 1 1 62 62 MET CE C 13 13.460 0.10 . 1 . . . . 100 MET CE . 16057 1 721 . 1 1 62 62 MET CG C 13 29.400 0.10 . 1 . . . . 100 MET CG . 16057 1 722 . 1 1 62 62 MET N N 15 118.350 0.10 . 1 . . . . 100 MET N . 16057 1 723 . 1 1 63 63 THR H H 1 7.720 0.02 . 1 . . . . 101 THR H . 16057 1 724 . 1 1 63 63 THR HA H 1 4.120 0.02 . 1 . . . . 101 THR HA . 16057 1 725 . 1 1 63 63 THR HB H 1 4.180 0.02 . 1 . . . . 101 THR HB . 16057 1 726 . 1 1 63 63 THR HG21 H 1 1.144 0.02 . 1 . . . . 101 THR HG1 . 16057 1 727 . 1 1 63 63 THR HG22 H 1 1.144 0.02 . 1 . . . . 101 THR HG1 . 16057 1 728 . 1 1 63 63 THR HG23 H 1 1.144 0.02 . 1 . . . . 101 THR HG1 . 16057 1 729 . 1 1 63 63 THR C C 13 172.265 0.10 . 1 . . . . 101 THR C . 16057 1 730 . 1 1 63 63 THR CA C 13 60.060 0.10 . 1 . . . . 101 THR CA . 16057 1 731 . 1 1 63 63 THR CB C 13 66.880 0.10 . 1 . . . . 101 THR CB . 16057 1 732 . 1 1 63 63 THR CG2 C 13 18.810 0.10 . 1 . . . . 101 THR CG2 . 16057 1 733 . 1 1 63 63 THR N N 15 110.720 0.10 . 1 . . . . 101 THR N . 16057 1 734 . 1 1 64 64 ASN H H 1 7.620 0.02 . 1 . . . . 102 ASN H . 16057 1 735 . 1 1 64 64 ASN HA H 1 4.541 0.02 . 1 . . . . 102 ASN HA . 16057 1 736 . 1 1 64 64 ASN HB2 H 1 2.550 0.02 . 1 . . . . 102 ASN HB2 . 16057 1 737 . 1 1 64 64 ASN HB3 H 1 2.250 0.02 . 1 . . . . 102 ASN HB3 . 16057 1 738 . 1 1 64 64 ASN HD21 H 1 6.720 0.02 . 1 . . . . 102 ASN HD21 . 16057 1 739 . 1 1 64 64 ASN HD22 H 1 7.010 0.02 . 1 . . . . 102 ASN HD22 . 16057 1 740 . 1 1 64 64 ASN C C 13 172.591 0.10 . 1 . . . . 102 ASN C . 16057 1 741 . 1 1 64 64 ASN CA C 13 51.480 0.10 . 1 . . . . 102 ASN CA . 16057 1 742 . 1 1 64 64 ASN CB C 13 36.830 0.10 . 1 . . . . 102 ASN CB . 16057 1 743 . 1 1 64 64 ASN N N 15 114.000 0.10 . 1 . . . . 102 ASN N . 16057 1 744 . 1 1 64 64 ASN ND2 N 15 120.240 0.10 . 1 . . . . 102 ASN ND2 . 16057 1 745 . 1 1 65 65 ALA H H 1 8.060 0.02 . 1 . . . . 103 ALA H . 16057 1 746 . 1 1 65 65 ALA HA H 1 4.183 0.02 . 1 . . . . 103 ALA HA . 16057 1 747 . 1 1 65 65 ALA HB1 H 1 1.390 0.02 . 1 . . . . 103 ALA HB . 16057 1 748 . 1 1 65 65 ALA HB2 H 1 1.390 0.02 . 1 . . . . 103 ALA HB . 16057 1 749 . 1 1 65 65 ALA HB3 H 1 1.390 0.02 . 1 . . . . 103 ALA HB . 16057 1 750 . 1 1 65 65 ALA C C 13 176.032 0.10 . 1 . . . . 103 ALA C . 16057 1 751 . 1 1 65 65 ALA CA C 13 51.130 0.10 . 1 . . . . 103 ALA CA . 16057 1 752 . 1 1 65 65 ALA CB C 13 16.230 0.10 . 1 . . . . 103 ALA CB . 16057 1 753 . 1 1 65 65 ALA N N 15 123.910 0.10 . 1 . . . . 103 ALA N . 16057 1 754 . 1 1 66 66 GLY H H 1 8.220 0.02 . 1 . . . . 104 GLY H . 16057 1 755 . 1 1 66 66 GLY HA2 H 1 3.883 0.02 . 1 . . . . 104 GLY HA2 . 16057 1 756 . 1 1 66 66 GLY C C 13 172.222 0.10 . 1 . . . . 104 GLY C . 16057 1 757 . 1 1 66 66 GLY CA C 13 43.170 0.10 . 1 . . . . 104 GLY CA . 16057 1 758 . 1 1 66 66 GLY N N 15 106.420 0.10 . 1 . . . . 104 GLY N . 16057 1 759 . 1 1 67 67 LEU H H 1 7.890 0.02 . 1 . . . . 105 LEU H . 16057 1 760 . 1 1 67 67 LEU HA H 1 4.290 0.02 . 1 . . . . 105 LEU HA . 16057 1 761 . 1 1 67 67 LEU HB2 H 1 1.710 0.02 . 1 . . . . 105 LEU HB2 . 16057 1 762 . 1 1 67 67 LEU HB3 H 1 1.710 0.02 . 1 . . . . 105 LEU HB3 . 16057 1 763 . 1 1 67 67 LEU HD11 H 1 0.820 0.02 . 1 . . . . 105 LEU HD1 . 16057 1 764 . 1 1 67 67 LEU HD12 H 1 0.820 0.02 . 1 . . . . 105 LEU HD1 . 16057 1 765 . 1 1 67 67 LEU HD13 H 1 0.820 0.02 . 1 . . . . 105 LEU HD1 . 16057 1 766 . 1 1 67 67 LEU HD21 H 1 0.850 0.02 . 1 . . . . 105 LEU HD2 . 16057 1 767 . 1 1 67 67 LEU HD22 H 1 0.850 0.02 . 1 . . . . 105 LEU HD2 . 16057 1 768 . 1 1 67 67 LEU HD23 H 1 0.850 0.02 . 1 . . . . 105 LEU HD2 . 16057 1 769 . 1 1 67 67 LEU HG H 1 1.600 0.02 . 1 . . . . 105 LEU HG . 16057 1 770 . 1 1 67 67 LEU C C 13 175.406 0.10 . 1 . . . . 105 LEU C . 16057 1 771 . 1 1 67 67 LEU CA C 13 53.110 0.10 . 1 . . . . 105 LEU CA . 16057 1 772 . 1 1 67 67 LEU CB C 13 39.740 0.10 . 1 . . . . 105 LEU CB . 16057 1 773 . 1 1 67 67 LEU CD1 C 13 20.560 0.10 . 1 . . . . 105 LEU CD1 . 16057 1 774 . 1 1 67 67 LEU CD2 C 13 22.530 0.10 . 1 . . . . 105 LEU CD2 . 16057 1 775 . 1 1 67 67 LEU CG C 13 24.500 0.10 . 1 . . . . 105 LEU CG . 16057 1 776 . 1 1 67 67 LEU N N 15 120.570 0.10 . 1 . . . . 105 LEU N . 16057 1 777 . 1 1 68 68 THR H H 1 7.940 0.02 . 1 . . . . 106 THR H . 16057 1 778 . 1 1 68 68 THR HA H 1 4.330 0.02 . 1 . . . . 106 THR HA . 16057 1 779 . 1 1 68 68 THR HB H 1 4.230 0.02 . 1 . . . . 106 THR HB . 16057 1 780 . 1 1 68 68 THR HG21 H 1 1.230 0.02 . 1 . . . . 106 THR HG1 . 16057 1 781 . 1 1 68 68 THR HG22 H 1 1.230 0.02 . 1 . . . . 106 THR HG1 . 16057 1 782 . 1 1 68 68 THR HG23 H 1 1.230 0.02 . 1 . . . . 106 THR HG1 . 16057 1 783 . 1 1 68 68 THR C C 13 172.806 0.10 . 1 . . . . 106 THR C . 16057 1 784 . 1 1 68 68 THR CA C 13 59.700 0.10 . 1 . . . . 106 THR CA . 16057 1 785 . 1 1 68 68 THR CB C 13 67.140 0.10 . 1 . . . . 106 THR CB . 16057 1 786 . 1 1 68 68 THR CG2 C 13 18.880 0.10 . 1 . . . . 106 THR CG2 . 16057 1 787 . 1 1 68 68 THR N N 15 111.750 0.10 . 1 . . . . 106 THR N . 16057 1 788 . 1 1 69 69 GLY H H 1 8.340 0.02 . 1 . . . . 107 GLY H . 16057 1 789 . 1 1 69 69 GLY HA2 H 1 3.940 0.02 . 1 . . . . 107 GLY HA2 . 16057 1 790 . 1 1 69 69 GLY C C 13 171.503 0.10 . 1 . . . . 107 GLY C . 16057 1 791 . 1 1 69 69 GLY CA C 13 42.990 0.10 . 1 . . . . 107 GLY CA . 16057 1 792 . 1 1 69 69 GLY N N 15 110.910 0.10 . 1 . . . . 107 GLY N . 16057 1 793 . 1 1 70 70 ARG H H 1 7.930 0.02 . 1 . . . . 108 ARG H . 16057 1 794 . 1 1 70 70 ARG HA H 1 4.355 0.02 . 1 . . . . 108 ARG HA . 16057 1 795 . 1 1 70 70 ARG HB2 H 1 1.800 0.02 . 1 . . . . 108 ARG HB2 . 16057 1 796 . 1 1 70 70 ARG HB3 H 1 1.700 0.02 . 1 . . . . 108 ARG HB3 . 16057 1 797 . 1 1 70 70 ARG HD2 H 1 3.100 0.02 . 1 . . . . 108 ARG HD2 . 16057 1 798 . 1 1 70 70 ARG HD3 H 1 3.100 0.02 . 1 . . . . 108 ARG HD3 . 16057 1 799 . 1 1 70 70 ARG HG2 H 1 1.580 0.02 . 1 . . . . 108 ARG HG2 . 16057 1 800 . 1 1 70 70 ARG HG3 H 1 1.580 0.02 . 1 . . . . 108 ARG HG3 . 16057 1 801 . 1 1 70 70 ARG C C 13 173.543 0.10 . 1 . . . . 108 ARG C . 16057 1 802 . 1 1 70 70 ARG CA C 13 53.170 0.10 . 1 . . . . 108 ARG CA . 16057 1 803 . 1 1 70 70 ARG CB C 13 28.470 0.10 . 1 . . . . 108 ARG CB . 16057 1 804 . 1 1 70 70 ARG CD C 13 40.590 0.10 . 1 . . . . 108 ARG CD . 16057 1 805 . 1 1 70 70 ARG CG C 13 24.540 0.10 . 1 . . . . 108 ARG CG . 16057 1 806 . 1 1 70 70 ARG N N 15 119.900 0.10 . 1 . . . . 108 ARG N . 16057 1 807 . 1 1 71 71 SER H H 1 8.400 0.02 . 1 . . . . 109 SER H . 16057 1 808 . 1 1 71 71 SER HA H 1 4.409 0.02 . 1 . . . . 109 SER HA . 16057 1 809 . 1 1 71 71 SER HB2 H 1 3.900 0.02 . 1 . . . . 109 SER HB2 . 16057 1 810 . 1 1 71 71 SER HB3 H 1 3.900 0.02 . 1 . . . . 109 SER HB3 . 16057 1 811 . 1 1 71 71 SER C C 13 172.430 0.10 . 1 . . . . 109 SER C . 16057 1 812 . 1 1 71 71 SER CA C 13 55.630 0.10 . 1 . . . . 109 SER CA . 16057 1 813 . 1 1 71 71 SER CB C 13 61.060 0.10 . 1 . . . . 109 SER CB . 16057 1 814 . 1 1 71 71 SER N N 15 116.970 0.10 . 1 . . . . 109 SER N . 16057 1 815 . 1 1 72 72 MET H H 1 8.590 0.02 . 1 . . . . 110 MET H . 16057 1 816 . 1 1 72 72 MET HA H 1 4.394 0.02 . 1 . . . . 110 MET HA . 16057 1 817 . 1 1 72 72 MET HB2 H 1 2.540 0.02 . 1 . . . . 110 MET HB2 . 16057 1 818 . 1 1 72 72 MET HB3 H 1 2.050 0.02 . 1 . . . . 110 MET HB3 . 16057 1 819 . 1 1 72 72 MET HE1 H 1 1.530 0.02 . 1 . . . . 110 MET HE . 16057 1 820 . 1 1 72 72 MET HE2 H 1 1.530 0.02 . 1 . . . . 110 MET HE . 16057 1 821 . 1 1 72 72 MET HE3 H 1 1.530 0.02 . 1 . . . . 110 MET HE . 16057 1 822 . 1 1 72 72 MET C C 13 173.487 0.10 . 1 . . . . 110 MET C . 16057 1 823 . 1 1 72 72 MET CA C 13 53.320 0.10 . 1 . . . . 110 MET CA . 16057 1 824 . 1 1 72 72 MET CB C 13 29.300 0.10 . 1 . . . . 110 MET CB . 16057 1 825 . 1 1 72 72 MET N N 15 122.250 0.10 . 1 . . . . 110 MET N . 16057 1 826 . 1 1 73 73 ASP H H 1 8.260 0.02 . 1 . . . . 111 ASP H . 16057 1 827 . 1 1 73 73 ASP HA H 1 4.514 0.02 . 1 . . . . 111 ASP HA . 16057 1 828 . 1 1 73 73 ASP HB2 H 1 2.650 0.02 . 1 . . . . 111 ASP HB2 . 16057 1 829 . 1 1 73 73 ASP HB3 H 1 2.650 0.02 . 1 . . . . 111 ASP HB3 . 16057 1 830 . 1 1 73 73 ASP C C 13 173.886 0.10 . 1 . . . . 111 ASP C . 16057 1 831 . 1 1 73 73 ASP CA C 13 52.150 0.10 . 1 . . . . 111 ASP CA . 16057 1 832 . 1 1 73 73 ASP CB C 13 38.310 0.10 . 1 . . . . 111 ASP CB . 16057 1 833 . 1 1 73 73 ASP N N 15 119.420 0.10 . 1 . . . . 111 ASP N . 16057 1 834 . 1 1 74 74 THR H H 1 7.900 0.02 . 1 . . . . 112 THR H . 16057 1 835 . 1 1 74 74 THR HA H 1 4.142 0.02 . 1 . . . . 112 THR HA . 16057 1 836 . 1 1 74 74 THR HB H 1 4.170 0.02 . 1 . . . . 112 THR HB . 16057 1 837 . 1 1 74 74 THR HG21 H 1 1.120 0.02 . 1 . . . . 112 THR HG1 . 16057 1 838 . 1 1 74 74 THR HG22 H 1 1.120 0.02 . 1 . . . . 112 THR HG1 . 16057 1 839 . 1 1 74 74 THR HG23 H 1 1.120 0.02 . 1 . . . . 112 THR HG1 . 16057 1 840 . 1 1 74 74 THR C C 13 172.029 0.10 . 1 . . . . 112 THR C . 16057 1 841 . 1 1 74 74 THR CA C 13 59.640 0.10 . 1 . . . . 112 THR CA . 16057 1 842 . 1 1 74 74 THR CB C 13 66.820 0.10 . 1 . . . . 112 THR CB . 16057 1 843 . 1 1 74 74 THR CG2 C 13 18.810 0.10 . 1 . . . . 112 THR CG2 . 16057 1 844 . 1 1 74 74 THR N N 15 112.950 0.10 . 1 . . . . 112 THR N . 16057 1 845 . 1 1 75 75 VAL H H 1 7.840 0.02 . 1 . . . . 113 VAL H . 16057 1 846 . 1 1 75 75 VAL HA H 1 3.950 0.02 . 1 . . . . 113 VAL HA . 16057 1 847 . 1 1 75 75 VAL HB H 1 1.970 0.02 . 1 . . . . 113 VAL HB . 16057 1 848 . 1 1 75 75 VAL HG11 H 1 0.710 0.02 . 1 . . . . 113 VAL HG1 . 16057 1 849 . 1 1 75 75 VAL HG12 H 1 0.710 0.02 . 1 . . . . 113 VAL HG1 . 16057 1 850 . 1 1 75 75 VAL HG13 H 1 0.710 0.02 . 1 . . . . 113 VAL HG1 . 16057 1 851 . 1 1 75 75 VAL HG21 H 1 0.800 0.02 . 1 . . . . 113 VAL HG2 . 16057 1 852 . 1 1 75 75 VAL HG22 H 1 0.800 0.02 . 1 . . . . 113 VAL HG2 . 16057 1 853 . 1 1 75 75 VAL HG23 H 1 0.800 0.02 . 1 . . . . 113 VAL HG2 . 16057 1 854 . 1 1 75 75 VAL C C 13 173.067 0.10 . 1 . . . . 113 VAL C . 16057 1 855 . 1 1 75 75 VAL CA C 13 60.070 0.10 . 1 . . . . 113 VAL CA . 16057 1 856 . 1 1 75 75 VAL CB C 13 29.740 0.10 . 1 . . . . 113 VAL CB . 16057 1 857 . 1 1 75 75 VAL CG1 C 13 18.150 0.10 . 1 . . . . 113 VAL CG1 . 16057 1 858 . 1 1 75 75 VAL CG2 C 13 18.150 0.10 . 1 . . . . 113 VAL CG2 . 16057 1 859 . 1 1 75 75 VAL N N 15 121.540 0.10 . 1 . . . . 113 VAL N . 16057 1 860 . 1 1 76 76 SER H H 1 8.020 0.02 . 1 . . . . 114 SER H . 16057 1 861 . 1 1 76 76 SER HA H 1 3.974 0.02 . 1 . . . . 114 SER HA . 16057 1 862 . 1 1 76 76 SER HB2 H 1 3.641 0.02 . 1 . . . . 114 SER HB2 . 16057 1 863 . 1 1 76 76 SER HB3 H 1 3.641 0.02 . 1 . . . . 114 SER HB3 . 16057 1 864 . 1 1 76 76 SER C C 13 171.259 0.10 . 1 . . . . 114 SER C . 16057 1 865 . 1 1 76 76 SER CA C 13 55.100 0.10 . 1 . . . . 114 SER CA . 16057 1 866 . 1 1 76 76 SER CB C 13 61.160 0.10 . 1 . . . . 114 SER CB . 16057 1 867 . 1 1 76 76 SER N N 15 117.830 0.10 . 1 . . . . 114 SER N . 16057 1 868 . 1 1 77 77 TYR H H 1 7.770 0.02 . 1 . . . . 115 TYR H . 16057 1 869 . 1 1 77 77 TYR HA H 1 4.240 0.02 . 1 . . . . 115 TYR HA . 16057 1 870 . 1 1 77 77 TYR HB2 H 1 2.040 0.02 . 1 . . . . 115 TYR HB2 . 16057 1 871 . 1 1 77 77 TYR HB3 H 1 2.240 0.02 . 1 . . . . 115 TYR HB3 . 16057 1 872 . 1 1 77 77 TYR HD1 H 1 6.750 0.02 . 1 . . . . 115 TYR HD1 . 16057 1 873 . 1 1 77 77 TYR HE1 H 1 6.530 0.02 . 1 . . . . 115 TYR HE1 . 16057 1 874 . 1 1 77 77 TYR C C 13 172.865 0.10 . 1 . . . . 115 TYR C . 16057 1 875 . 1 1 77 77 TYR CA C 13 55.100 0.10 . 1 . . . . 115 TYR CA . 16057 1 876 . 1 1 77 77 TYR CB C 13 36.110 0.10 . 1 . . . . 115 TYR CB . 16057 1 877 . 1 1 77 77 TYR N N 15 121.280 0.10 . 1 . . . . 115 TYR N . 16057 1 878 . 1 1 78 78 ASN HA H 1 4.790 0.02 . 1 . . . . 116 ASN HA . 16057 1 879 . 1 1 78 78 ASN HB2 H 1 2.940 0.02 . 1 . . . . 116 ASN HB2 . 16057 1 880 . 1 1 78 78 ASN HB3 H 1 2.490 0.02 . 1 . . . . 116 ASN HB3 . 16057 1 881 . 1 1 78 78 ASN HD21 H 1 7.610 0.02 . 1 . . . . 116 ASN HD21 . 16057 1 882 . 1 1 78 78 ASN HD22 H 1 6.860 0.02 . 1 . . . . 116 ASN HD22 . 16057 1 883 . 1 1 78 78 ASN C C 13 172.080 0.10 . 1 . . . . 116 ASN C . 16057 1 884 . 1 1 78 78 ASN CA C 13 48.910 0.10 . 1 . . . . 116 ASN CA . 16057 1 885 . 1 1 78 78 ASN CB C 13 35.500 0.10 . 1 . . . . 116 ASN CB . 16057 1 886 . 1 1 78 78 ASN N N 15 112.900 0.10 . 1 . . . . 116 ASN N . 16057 1 887 . 1 1 79 79 PHE H H 1 7.410 0.02 . 1 . . . . 117 PHE H . 16057 1 888 . 1 1 79 79 PHE HA H 1 4.440 0.02 . 1 . . . . 117 PHE HA . 16057 1 889 . 1 1 79 79 PHE HB2 H 1 2.100 0.02 . 1 . . . . 117 PHE HB2 . 16057 1 890 . 1 1 79 79 PHE HB3 H 1 1.850 0.02 . 1 . . . . 117 PHE HB3 . 16057 1 891 . 1 1 79 79 PHE HD1 H 1 7.330 0.02 . 1 . . . . 117 PHE HD1 . 16057 1 892 . 1 1 79 79 PHE HD2 H 1 7.330 0.02 . 1 . . . . 117 PHE HD2 . 16057 1 893 . 1 1 79 79 PHE HE1 H 1 6.780 0.02 . 1 . . . . 117 PHE HE1 . 16057 1 894 . 1 1 79 79 PHE HZ H 1 6.720 0.02 . 1 . . . . 117 PHE HZ . 16057 1 895 . 1 1 79 79 PHE C C 13 174.370 0.10 . 1 . . . . 117 PHE C . 16057 1 896 . 1 1 79 79 PHE CA C 13 56.890 0.10 . 1 . . . . 117 PHE CA . 16057 1 897 . 1 1 79 79 PHE CB C 13 34.540 0.10 . 1 . . . . 117 PHE CB . 16057 1 898 . 1 1 79 79 PHE N N 15 121.190 0.10 . 1 . . . . 117 PHE N . 16057 1 899 . 1 1 80 80 ALA H H 1 8.560 0.02 . 1 . . . . 118 ALA H . 16057 1 900 . 1 1 80 80 ALA HA H 1 4.140 0.02 . 1 . . . . 118 ALA HA . 16057 1 901 . 1 1 80 80 ALA HB1 H 1 1.660 0.02 . 1 . . . . 118 ALA HB . 16057 1 902 . 1 1 80 80 ALA HB2 H 1 1.660 0.02 . 1 . . . . 118 ALA HB . 16057 1 903 . 1 1 80 80 ALA HB3 H 1 1.660 0.02 . 1 . . . . 118 ALA HB . 16057 1 904 . 1 1 80 80 ALA C C 13 176.482 0.10 . 1 . . . . 118 ALA C . 16057 1 905 . 1 1 80 80 ALA CA C 13 52.430 0.10 . 1 . . . . 118 ALA CA . 16057 1 906 . 1 1 80 80 ALA CB C 13 16.160 0.10 . 1 . . . . 118 ALA CB . 16057 1 907 . 1 1 80 80 ALA N N 15 115.100 0.10 . 1 . . . . 118 ALA N . 16057 1 908 . 1 1 81 81 THR H H 1 7.330 0.02 . 1 . . . . 119 THR H . 16057 1 909 . 1 1 81 81 THR HA H 1 4.450 0.02 . 1 . . . . 119 THR HA . 16057 1 910 . 1 1 81 81 THR HB H 1 4.240 0.02 . 1 . . . . 119 THR HB . 16057 1 911 . 1 1 81 81 THR HG21 H 1 1.160 0.02 . 1 . . . . 119 THR HG1 . 16057 1 912 . 1 1 81 81 THR HG22 H 1 1.160 0.02 . 1 . . . . 119 THR HG1 . 16057 1 913 . 1 1 81 81 THR HG23 H 1 1.160 0.02 . 1 . . . . 119 THR HG1 . 16057 1 914 . 1 1 81 81 THR C C 13 172.909 0.10 . 1 . . . . 119 THR C . 16057 1 915 . 1 1 81 81 THR CA C 13 59.270 0.10 . 1 . . . . 119 THR CA . 16057 1 916 . 1 1 81 81 THR CB C 13 66.770 0.10 . 1 . . . . 119 THR CB . 16057 1 917 . 1 1 81 81 THR CG2 C 13 18.820 0.10 . 1 . . . . 119 THR CG2 . 16057 1 918 . 1 1 81 81 THR N N 15 104.710 0.10 . 1 . . . . 119 THR N . 16057 1 919 . 1 1 82 82 GLU H H 1 7.890 0.02 . 1 . . . . 120 GLU H . 16057 1 920 . 1 1 82 82 GLU HA H 1 4.260 0.02 . 1 . . . . 120 GLU HA . 16057 1 921 . 1 1 82 82 GLU HB2 H 1 2.040 0.02 . 1 . . . . 120 GLU HB2 . 16057 1 922 . 1 1 82 82 GLU HB3 H 1 2.210 0.02 . 1 . . . . 120 GLU HB3 . 16057 1 923 . 1 1 82 82 GLU HG2 H 1 2.370 0.02 . 1 . . . . 120 GLU HG2 . 16057 1 924 . 1 1 82 82 GLU C C 13 177.060 0.10 . 1 . . . . 120 GLU C . 16057 1 925 . 1 1 82 82 GLU CA C 13 54.740 0.10 . 1 . . . . 120 GLU CA . 16057 1 926 . 1 1 82 82 GLU N N 15 120.760 0.10 . 1 . . . . 120 GLU N . 16057 1 927 . 1 1 83 83 ILE H H 1 7.630 0.02 . 1 . . . . 121 ILE H . 16057 1 928 . 1 1 83 83 ILE HA H 1 3.330 0.02 . 1 . . . . 121 ILE HA . 16057 1 929 . 1 1 83 83 ILE HB H 1 1.740 0.02 . 1 . . . . 121 ILE HB . 16057 1 930 . 1 1 83 83 ILE HD11 H 1 0.760 0.02 . 1 . . . . 121 ILE HD1 . 16057 1 931 . 1 1 83 83 ILE HD12 H 1 0.760 0.02 . 1 . . . . 121 ILE HD1 . 16057 1 932 . 1 1 83 83 ILE HD13 H 1 0.760 0.02 . 1 . . . . 121 ILE HD1 . 16057 1 933 . 1 1 83 83 ILE HG12 H 1 0.710 0.02 . 1 . . . . 121 ILE HG12 . 16057 1 934 . 1 1 83 83 ILE HG13 H 1 0.710 0.02 . 1 . . . . 121 ILE HG13 . 16057 1 935 . 1 1 83 83 ILE HG21 H 1 0.850 0.02 . 1 . . . . 121 ILE HG2 . 16057 1 936 . 1 1 83 83 ILE HG22 H 1 0.850 0.02 . 1 . . . . 121 ILE HG2 . 16057 1 937 . 1 1 83 83 ILE HG23 H 1 0.850 0.02 . 1 . . . . 121 ILE HG2 . 16057 1 938 . 1 1 83 83 ILE CA C 13 57.580 0.10 . 1 . . . . 121 ILE CA . 16057 1 939 . 1 1 83 83 ILE CB C 13 35.770 0.10 . 1 . . . . 121 ILE CB . 16057 1 940 . 1 1 83 83 ILE CD1 C 13 11.600 0.10 . 1 . . . . 121 ILE CD1 . 16057 1 941 . 1 1 83 83 ILE CG1 C 13 18.500 0.10 . 1 . . . . 121 ILE CG1 . 16057 1 942 . 1 1 83 83 ILE CG2 C 13 14.950 0.10 . 1 . . . . 121 ILE CG2 . 16057 1 943 . 1 1 83 83 ILE N N 15 118.900 0.10 . 1 . . . . 121 ILE N . 16057 1 944 . 1 1 84 84 PRO HA H 1 4.200 0.02 . 1 . . . . 122 PRO HA . 16057 1 945 . 1 1 84 84 PRO HB2 H 1 2.330 0.02 . 1 . . . . 122 PRO HB2 . 16057 1 946 . 1 1 84 84 PRO HB3 H 1 0.840 0.02 . 1 . . . . 122 PRO HB3 . 16057 1 947 . 1 1 84 84 PRO HD2 H 1 2.360 0.02 . 1 . . . . 122 PRO HD2 . 16057 1 948 . 1 1 84 84 PRO HD3 H 1 2.360 0.02 . 1 . . . . 122 PRO HD3 . 16057 1 949 . 1 1 84 84 PRO HG2 H 1 1.590 0.02 . 1 . . . . 122 PRO HG2 . 16057 1 950 . 1 1 84 84 PRO HG3 H 1 1.590 0.02 . 1 . . . . 122 PRO HG3 . 16057 1 951 . 1 1 84 84 PRO CA C 13 60.510 0.10 . 1 . . . . 122 PRO CA . 16057 1 952 . 1 1 84 84 PRO CB C 13 27.260 0.10 . 1 . . . . 122 PRO CB . 16057 1 953 . 1 1 84 84 PRO CD C 13 47.060 0.10 . 1 . . . . 122 PRO CD . 16057 1 954 . 1 1 84 84 PRO CG C 13 25.960 0.10 . 1 . . . . 122 PRO CG . 16057 1 955 . 1 1 86 86 THR HA H 1 3.869 0.02 . 1 . . . . 124 THR HA . 16057 1 956 . 1 1 86 86 THR HB H 1 4.130 0.02 . 1 . . . . 124 THR HB . 16057 1 957 . 1 1 86 86 THR HG21 H 1 1.258 0.02 . 1 . . . . 124 THR HG1 . 16057 1 958 . 1 1 86 86 THR HG22 H 1 1.258 0.02 . 1 . . . . 124 THR HG1 . 16057 1 959 . 1 1 86 86 THR HG23 H 1 1.258 0.02 . 1 . . . . 124 THR HG1 . 16057 1 960 . 1 1 86 86 THR C C 13 172.991 0.10 . 1 . . . . 124 THR C . 16057 1 961 . 1 1 86 86 THR CA C 13 61.980 0.10 . 1 . . . . 124 THR CA . 16057 1 962 . 1 1 86 86 THR CB C 13 65.710 0.10 . 1 . . . . 124 THR CB . 16057 1 963 . 1 1 86 86 THR CG2 C 13 19.830 0.10 . 1 . . . . 124 THR CG2 . 16057 1 964 . 1 1 87 87 ILE H H 1 7.340 0.02 . 1 . . . . 125 ILE H . 16057 1 965 . 1 1 87 87 ILE HA H 1 3.920 0.02 . 1 . . . . 125 ILE HA . 16057 1 966 . 1 1 87 87 ILE HB H 1 1.720 0.02 . 1 . . . . 125 ILE HB . 16057 1 967 . 1 1 87 87 ILE HD11 H 1 0.600 0.02 . 1 . . . . 125 ILE HD1 . 16057 1 968 . 1 1 87 87 ILE HD12 H 1 0.600 0.02 . 1 . . . . 125 ILE HD1 . 16057 1 969 . 1 1 87 87 ILE HD13 H 1 0.600 0.02 . 1 . . . . 125 ILE HD1 . 16057 1 970 . 1 1 87 87 ILE HG12 H 1 0.750 0.02 . 1 . . . . 125 ILE HG12 . 16057 1 971 . 1 1 87 87 ILE HG13 H 1 1.630 0.02 . 1 . . . . 125 ILE HG13 . 16057 1 972 . 1 1 87 87 ILE HG21 H 1 0.750 0.02 . 1 . . . . 125 ILE HG2 . 16057 1 973 . 1 1 87 87 ILE HG22 H 1 0.750 0.02 . 1 . . . . 125 ILE HG2 . 16057 1 974 . 1 1 87 87 ILE HG23 H 1 0.750 0.02 . 1 . . . . 125 ILE HG2 . 16057 1 975 . 1 1 87 87 ILE C C 13 175.375 0.10 . 1 . . . . 125 ILE C . 16057 1 976 . 1 1 87 87 ILE CA C 13 61.900 0.10 . 1 . . . . 125 ILE CA . 16057 1 977 . 1 1 87 87 ILE CB C 13 35.690 0.10 . 1 . . . . 125 ILE CB . 16057 1 978 . 1 1 87 87 ILE CD1 C 13 10.540 0.10 . 1 . . . . 125 ILE CD1 . 16057 1 979 . 1 1 87 87 ILE CG1 C 13 25.680 0.10 . 1 . . . . 125 ILE CG1 . 16057 1 980 . 1 1 87 87 ILE CG2 C 13 15.770 0.10 . 1 . . . . 125 ILE CG2 . 16057 1 981 . 1 1 87 87 ILE N N 15 120.800 0.10 . 1 . . . . 125 ILE N . 16057 1 982 . 1 1 88 88 LEU HA H 1 4.070 0.02 . 1 . . . . 126 LEU HA . 16057 1 983 . 1 1 88 88 LEU HB2 H 1 1.760 0.02 . 1 . . . . 126 LEU HB2 . 16057 1 984 . 1 1 88 88 LEU HB3 H 1 1.570 0.02 . 1 . . . . 126 LEU HB3 . 16057 1 985 . 1 1 88 88 LEU HD11 H 1 1.020 0.02 . 1 . . . . 126 LEU HD1 . 16057 1 986 . 1 1 88 88 LEU HD12 H 1 1.020 0.02 . 1 . . . . 126 LEU HD1 . 16057 1 987 . 1 1 88 88 LEU HD13 H 1 1.020 0.02 . 1 . . . . 126 LEU HD1 . 16057 1 988 . 1 1 88 88 LEU HD21 H 1 1.080 0.02 . 1 . . . . 126 LEU HD2 . 16057 1 989 . 1 1 88 88 LEU HD22 H 1 1.080 0.02 . 1 . . . . 126 LEU HD2 . 16057 1 990 . 1 1 88 88 LEU HD23 H 1 1.080 0.02 . 1 . . . . 126 LEU HD2 . 16057 1 991 . 1 1 88 88 LEU HG H 1 1.590 0.02 . 1 . . . . 126 LEU HG . 16057 1 992 . 1 1 88 88 LEU C C 13 177.060 0.10 . 1 . . . . 126 LEU C . 16057 1 993 . 1 1 88 88 LEU CA C 13 55.950 0.10 . 1 . . . . 126 LEU CA . 16057 1 994 . 1 1 88 88 LEU CB C 13 39.710 0.10 . 1 . . . . 126 LEU CB . 16057 1 995 . 1 1 88 88 LEU CD1 C 13 23.400 0.10 . 1 . . . . 126 LEU CD1 . 16057 1 996 . 1 1 88 88 LEU CD2 C 13 21.080 0.10 . 1 . . . . 126 LEU CD2 . 16057 1 997 . 1 1 88 88 LEU CG C 13 24.500 0.10 . 1 . . . . 126 LEU CG . 16057 1 998 . 1 1 89 89 LYS H H 1 8.095 0.02 . 1 . . . . 127 LYS H . 16057 1 999 . 1 1 89 89 LYS HA H 1 4.030 0.02 . 1 . . . . 127 LYS HA . 16057 1 1000 . 1 1 89 89 LYS HB2 H 1 1.830 0.02 . 1 . . . . 127 LYS HB2 . 16057 1 1001 . 1 1 89 89 LYS HB3 H 1 1.880 0.02 . 1 . . . . 127 LYS HB3 . 16057 1 1002 . 1 1 89 89 LYS HD2 H 1 1.680 0.02 . 1 . . . . 127 LYS HD2 . 16057 1 1003 . 1 1 89 89 LYS HD3 H 1 1.680 0.02 . 1 . . . . 127 LYS HD3 . 16057 1 1004 . 1 1 89 89 LYS HE2 H 1 2.930 0.02 . 1 . . . . 127 LYS HE2 . 16057 1 1005 . 1 1 89 89 LYS HE3 H 1 2.930 0.02 . 1 . . . . 127 LYS HE3 . 16057 1 1006 . 1 1 89 89 LYS HG2 H 1 1.540 0.02 . 1 . . . . 127 LYS HG2 . 16057 1 1007 . 1 1 89 89 LYS HG3 H 1 1.540 0.02 . 1 . . . . 127 LYS HG3 . 16057 1 1008 . 1 1 89 89 LYS C C 13 176.400 0.10 . 1 . . . . 127 LYS C . 16057 1 1009 . 1 1 89 89 LYS CA C 13 56.010 0.10 . 1 . . . . 127 LYS CA . 16057 1 1010 . 1 1 89 89 LYS CB C 13 29.650 0.10 . 1 . . . . 127 LYS CB . 16057 1 1011 . 1 1 89 89 LYS CD C 13 26.410 0.10 . 1 . . . . 127 LYS CD . 16057 1 1012 . 1 1 89 89 LYS CE C 13 39.180 0.10 . 1 . . . . 127 LYS CE . 16057 1 1013 . 1 1 89 89 LYS CG C 13 22.550 0.10 . 1 . . . . 127 LYS CG . 16057 1 1014 . 1 1 89 89 LYS N N 15 116.100 0.10 . 1 . . . . 127 LYS N . 16057 1 1015 . 1 1 90 90 LYS H H 1 7.848 0.02 . 1 . . . . 128 LYS H . 16057 1 1016 . 1 1 90 90 LYS HA H 1 4.160 0.02 . 1 . . . . 128 LYS HA . 16057 1 1017 . 1 1 90 90 LYS HB2 H 1 2.230 0.02 . 1 . . . . 128 LYS HB2 . 16057 1 1018 . 1 1 90 90 LYS HB3 H 1 2.230 0.02 . 1 . . . . 128 LYS HB3 . 16057 1 1019 . 1 1 90 90 LYS C C 13 174.859 0.10 . 1 . . . . 128 LYS C . 16057 1 1020 . 1 1 90 90 LYS CA C 13 54.750 0.10 . 1 . . . . 128 LYS CA . 16057 1 1021 . 1 1 90 90 LYS CB C 13 29.280 0.10 . 1 . . . . 128 LYS CB . 16057 1 1022 . 1 1 90 90 LYS N N 15 119.230 0.10 . 1 . . . . 128 LYS N . 16057 1 1023 . 1 1 91 91 LEU H H 1 7.640 0.02 . 1 . . . . 129 LEU H . 16057 1 1024 . 1 1 91 91 LEU HA H 1 4.250 0.02 . 1 . . . . 129 LEU HA . 16057 1 1025 . 1 1 91 91 LEU HB2 H 1 1.670 0.02 . 1 . . . . 129 LEU HB2 . 16057 1 1026 . 1 1 91 91 LEU HB3 H 1 1.370 0.02 . 1 . . . . 129 LEU HB3 . 16057 1 1027 . 1 1 91 91 LEU HD11 H 1 0.075 0.02 . 1 . . . . 129 LEU HD1 . 16057 1 1028 . 1 1 91 91 LEU HD12 H 1 0.075 0.02 . 1 . . . . 129 LEU HD1 . 16057 1 1029 . 1 1 91 91 LEU HD13 H 1 0.075 0.02 . 1 . . . . 129 LEU HD1 . 16057 1 1030 . 1 1 91 91 LEU HD21 H 1 0.370 0.02 . 1 . . . . 129 LEU HD2 . 16057 1 1031 . 1 1 91 91 LEU HD22 H 1 0.370 0.02 . 1 . . . . 129 LEU HD2 . 16057 1 1032 . 1 1 91 91 LEU HD23 H 1 0.370 0.02 . 1 . . . . 129 LEU HD2 . 16057 1 1033 . 1 1 91 91 LEU HG H 1 1.000 0.02 . 1 . . . . 129 LEU HG . 16057 1 1034 . 1 1 91 91 LEU CA C 13 52.280 0.10 . 1 . . . . 129 LEU CA . 16057 1 1035 . 1 1 91 91 LEU CB C 13 39.000 0.10 . 1 . . . . 129 LEU CB . 16057 1 1036 . 1 1 91 91 LEU CD1 C 13 21.850 0.10 . 1 . . . . 129 LEU CD1 . 16057 1 1037 . 1 1 91 91 LEU CD2 C 13 19.500 0.10 . 1 . . . . 129 LEU CD2 . 16057 1 1038 . 1 1 91 91 LEU CG C 13 23.860 0.10 . 1 . . . . 129 LEU CG . 16057 1 1039 . 1 1 91 91 LEU N N 15 112.650 0.10 . 1 . . . . 129 LEU N . 16057 1 1040 . 1 1 92 92 ASN H H 1 7.560 0.02 . 1 . . . . 130 ASN H . 16057 1 1041 . 1 1 92 92 ASN HA H 1 4.300 0.02 . 1 . . . . 130 ASN HA . 16057 1 1042 . 1 1 92 92 ASN HB2 H 1 2.910 0.02 . 1 . . . . 130 ASN HB2 . 16057 1 1043 . 1 1 92 92 ASN HB3 H 1 3.080 0.02 . 1 . . . . 130 ASN HB3 . 16057 1 1044 . 1 1 92 92 ASN HD21 H 1 7.190 0.02 . 1 . . . . 130 ASN HD21 . 16057 1 1045 . 1 1 92 92 ASN HD22 H 1 7.810 0.02 . 1 . . . . 130 ASN HD22 . 16057 1 1046 . 1 1 92 92 ASN C C 13 172.034 0.10 . 1 . . . . 130 ASN C . 16057 1 1047 . 1 1 92 92 ASN CA C 13 55.070 0.10 . 1 . . . . 130 ASN CA . 16057 1 1048 . 1 1 92 92 ASN CB C 13 32.670 0.10 . 1 . . . . 130 ASN CB . 16057 1 1049 . 1 1 92 92 ASN N N 15 111.100 0.10 . 1 . . . . 130 ASN N . 16057 1 1050 . 1 1 92 92 ASN ND2 N 15 117.940 0.10 . 1 . . . . 130 ASN ND2 . 16057 1 1051 . 1 1 93 93 PRO HA H 1 4.220 0.02 . 1 . . . . 131 PRO HA . 16057 1 1052 . 1 1 93 93 PRO HB2 H 1 0.490 0.02 . 1 . . . . 131 PRO HB2 . 16057 1 1053 . 1 1 93 93 PRO HB3 H 1 2.030 0.02 . 1 . . . . 131 PRO HB3 . 16057 1 1054 . 1 1 93 93 PRO HD2 H 1 3.550 0.02 . 1 . . . . 131 PRO HD2 . 16057 1 1055 . 1 1 93 93 PRO HD3 H 1 3.370 0.02 . 1 . . . . 131 PRO HD3 . 16057 1 1056 . 1 1 93 93 PRO HG2 H 1 1.710 0.02 . 1 . . . . 131 PRO HG2 . 16057 1 1057 . 1 1 93 93 PRO HG3 H 1 1.760 0.02 . 1 . . . . 131 PRO HG3 . 16057 1 1058 . 1 1 93 93 PRO C C 13 173.540 0.10 . 1 . . . . 131 PRO C . 16057 1 1059 . 1 1 93 93 PRO CA C 13 62.300 0.10 . 1 . . . . 131 PRO CA . 16057 1 1060 . 1 1 93 93 PRO CB C 13 28.140 0.10 . 1 . . . . 131 PRO CB . 16057 1 1061 . 1 1 93 93 PRO CD C 13 48.540 0.10 . 1 . . . . 131 PRO CD . 16057 1 1062 . 1 1 94 94 TYR H H 1 7.630 0.02 . 1 . . . . 132 TYR H . 16057 1 1063 . 1 1 94 94 TYR HA H 1 4.630 0.02 . 1 . . . . 132 TYR HA . 16057 1 1064 . 1 1 94 94 TYR HB2 H 1 3.550 0.02 . 1 . . . . 132 TYR HB2 . 16057 1 1065 . 1 1 94 94 TYR HB3 H 1 3.107 0.02 . 1 . . . . 132 TYR HB3 . 16057 1 1066 . 1 1 94 94 TYR HD1 H 1 7.100 0.02 . 1 . . . . 132 TYR HD1 . 16057 1 1067 . 1 1 94 94 TYR HE1 H 1 6.800 0.02 . 1 . . . . 132 TYR HE1 . 16057 1 1068 . 1 1 94 94 TYR C C 13 172.700 0.10 . 1 . . . . 132 TYR C . 16057 1 1069 . 1 1 94 94 TYR CA C 13 54.130 0.10 . 1 . . . . 132 TYR CA . 16057 1 1070 . 1 1 94 94 TYR CB C 13 36.500 0.10 . 1 . . . . 132 TYR CB . 16057 1 1071 . 1 1 94 94 TYR N N 15 114.100 0.10 . 1 . . . . 132 TYR N . 16057 1 1072 . 1 1 95 95 ARG H H 1 7.250 0.02 . 1 . . . . 133 ARG H . 16057 1 1073 . 1 1 95 95 ARG HA H 1 4.290 0.02 . 1 . . . . 133 ARG HA . 16057 1 1074 . 1 1 95 95 ARG HB2 H 1 1.820 0.02 . 1 . . . . 133 ARG HB2 . 16057 1 1075 . 1 1 95 95 ARG HB3 H 1 1.680 0.02 . 1 . . . . 133 ARG HB3 . 16057 1 1076 . 1 1 95 95 ARG HD2 H 1 3.130 0.02 . 1 . . . . 133 ARG HD2 . 16057 1 1077 . 1 1 95 95 ARG HD3 H 1 3.130 0.02 . 1 . . . . 133 ARG HD3 . 16057 1 1078 . 1 1 95 95 ARG HE H 1 7.140 0.02 . 1 . . . . 133 ARG HE . 16057 1 1079 . 1 1 95 95 ARG HG2 H 1 1.570 0.02 . 1 . . . . 133 ARG HG2 . 16057 1 1080 . 1 1 95 95 ARG HG3 H 1 1.570 0.02 . 1 . . . . 133 ARG HG3 . 16057 1 1081 . 1 1 95 95 ARG C C 13 173.763 0.10 . 1 . . . . 133 ARG C . 16057 1 1082 . 1 1 95 95 ARG CA C 13 54.740 0.10 . 1 . . . . 133 ARG CA . 16057 1 1083 . 1 1 95 95 ARG CB C 13 27.880 0.10 . 1 . . . . 133 ARG CB . 16057 1 1084 . 1 1 95 95 ARG CD C 13 40.690 0.10 . 1 . . . . 133 ARG CD . 16057 1 1085 . 1 1 95 95 ARG CG C 13 24.270 0.10 . 1 . . . . 133 ARG CG . 16057 1 1086 . 1 1 95 95 ARG N N 15 119.390 0.10 . 1 . . . . 133 ARG N . 16057 1 1087 . 1 1 95 95 ARG NE N 15 117.300 0.10 . 1 . . . . 133 ARG NE . 16057 1 1088 . 1 1 96 96 LYS H H 1 8.658 0.02 . 1 . . . . 134 LYS H . 16057 1 1089 . 1 1 96 96 LYS HA H 1 4.490 0.02 . 1 . . . . 134 LYS HA . 16057 1 1090 . 1 1 96 96 LYS HB2 H 1 1.900 0.02 . 1 . . . . 134 LYS HB2 . 16057 1 1091 . 1 1 96 96 LYS HB3 H 1 1.900 0.02 . 1 . . . . 134 LYS HB3 . 16057 1 1092 . 1 1 96 96 LYS HD2 H 1 1.700 0.02 . 1 . . . . 134 LYS HD2 . 16057 1 1093 . 1 1 96 96 LYS HD3 H 1 1.700 0.02 . 1 . . . . 134 LYS HD3 . 16057 1 1094 . 1 1 96 96 LYS HE2 H 1 3.000 0.02 . 1 . . . . 134 LYS HE2 . 16057 1 1095 . 1 1 96 96 LYS HE3 H 1 3.000 0.02 . 1 . . . . 134 LYS HE3 . 16057 1 1096 . 1 1 96 96 LYS HG2 H 1 1.420 0.02 . 1 . . . . 134 LYS HG2 . 16057 1 1097 . 1 1 96 96 LYS HG3 H 1 1.500 0.02 . 1 . . . . 134 LYS HG3 . 16057 1 1098 . 1 1 96 96 LYS C C 13 173.560 0.10 . 1 . . . . 134 LYS C . 16057 1 1099 . 1 1 96 96 LYS CA C 13 52.580 0.10 . 1 . . . . 134 LYS CA . 16057 1 1100 . 1 1 96 96 LYS CB C 13 30.590 0.10 . 1 . . . . 134 LYS CB . 16057 1 1101 . 1 1 96 96 LYS CD C 13 25.470 0.10 . 1 . . . . 134 LYS CD . 16057 1 1102 . 1 1 96 96 LYS CE C 13 39.340 0.10 . 1 . . . . 134 LYS CE . 16057 1 1103 . 1 1 96 96 LYS CG C 13 22.240 0.10 . 1 . . . . 134 LYS CG . 16057 1 1104 . 1 1 96 96 LYS N N 15 125.000 0.10 . 1 . . . . 134 LYS N . 16057 1 1105 . 1 1 97 97 MET H H 1 8.330 0.02 . 1 . . . . 135 MET H . 16057 1 1106 . 1 1 97 97 MET HA H 1 4.420 0.02 . 1 . . . . 135 MET HA . 16057 1 1107 . 1 1 97 97 MET HB2 H 1 1.980 0.02 . 1 . . . . 135 MET HB2 . 16057 1 1108 . 1 1 97 97 MET HB3 H 1 2.060 0.02 . 1 . . . . 135 MET HB3 . 16057 1 1109 . 1 1 97 97 MET HE1 H 1 1.530 0.02 . 1 . . . . 135 MET HE . 16057 1 1110 . 1 1 97 97 MET HE2 H 1 1.530 0.02 . 1 . . . . 135 MET HE . 16057 1 1111 . 1 1 97 97 MET HE3 H 1 1.530 0.02 . 1 . . . . 135 MET HE . 16057 1 1112 . 1 1 97 97 MET HG2 H 1 2.060 0.02 . 1 . . . . 135 MET HG2 . 16057 1 1113 . 1 1 97 97 MET HG3 H 1 2.520 0.02 . 1 . . . . 135 MET HG3 . 16057 1 1114 . 1 1 97 97 MET C C 13 172.970 0.10 . 1 . . . . 135 MET C . 16057 1 1115 . 1 1 97 97 MET CA C 13 52.490 0.10 . 1 . . . . 135 MET CA . 16057 1 1116 . 1 1 97 97 MET CB C 13 30.530 0.10 . 1 . . . . 135 MET CB . 16057 1 1117 . 1 1 97 97 MET CG C 13 29.820 0.10 . 1 . . . . 135 MET CG . 16057 1 1118 . 1 1 97 97 MET N N 15 120.890 0.10 . 1 . . . . 135 MET N . 16057 1 1119 . 1 1 98 98 ALA H H 1 8.290 0.02 . 1 . . . . 136 ALA H . 16057 1 1120 . 1 1 98 98 ALA HA H 1 4.180 0.02 . 1 . . . . 136 ALA HA . 16057 1 1121 . 1 1 98 98 ALA HB1 H 1 1.210 0.02 . 1 . . . . 136 ALA HB . 16057 1 1122 . 1 1 98 98 ALA HB2 H 1 1.210 0.02 . 1 . . . . 136 ALA HB . 16057 1 1123 . 1 1 98 98 ALA HB3 H 1 1.210 0.02 . 1 . . . . 136 ALA HB . 16057 1 1124 . 1 1 98 98 ALA C C 13 173.767 0.10 . 1 . . . . 136 ALA C . 16057 1 1125 . 1 1 98 98 ALA CA C 13 49.750 0.10 . 1 . . . . 136 ALA CA . 16057 1 1126 . 1 1 98 98 ALA CB C 13 16.350 0.10 . 1 . . . . 136 ALA CB . 16057 1 1127 . 1 1 98 98 ALA N N 15 126.050 0.10 . 1 . . . . 136 ALA N . 16057 1 1128 . 1 1 99 99 ARG H H 1 7.870 0.02 . 1 . . . . 137 ARG H . 16057 1 1129 . 1 1 99 99 ARG HA H 1 4.088 0.02 . 1 . . . . 137 ARG HA . 16057 1 1130 . 1 1 99 99 ARG HB2 H 1 1.650 0.02 . 1 . . . . 137 ARG HB2 . 16057 1 1131 . 1 1 99 99 ARG HB3 H 1 1.780 0.02 . 1 . . . . 137 ARG HB3 . 16057 1 1132 . 1 1 99 99 ARG HD2 H 1 3.130 0.02 . 1 . . . . 137 ARG HD2 . 16057 1 1133 . 1 1 99 99 ARG HD3 H 1 3.130 0.02 . 1 . . . . 137 ARG HD3 . 16057 1 1134 . 1 1 99 99 ARG HG2 H 1 1.540 0.02 . 1 . . . . 137 ARG HG2 . 16057 1 1135 . 1 1 99 99 ARG HG3 H 1 1.540 0.02 . 1 . . . . 137 ARG HG3 . 16057 1 1136 . 1 1 99 99 ARG C C 13 178.322 0.10 . 1 . . . . 137 ARG C . 16057 1 1137 . 1 1 99 99 ARG CA C 13 54.680 0.10 . 1 . . . . 137 ARG CA . 16057 1 1138 . 1 1 99 99 ARG CB C 13 28.500 0.10 . 1 . . . . 137 ARG CB . 16057 1 1139 . 1 1 99 99 ARG CD C 13 40.670 0.10 . 1 . . . . 137 ARG CD . 16057 1 1140 . 1 1 99 99 ARG CG C 13 24.500 0.10 . 1 . . . . 137 ARG CG . 16057 1 1141 . 1 1 99 99 ARG N N 15 125.800 0.10 . 1 . . . . 137 ARG N . 16057 1 stop_ save_