data_16068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16068 _Entry.Title ; gp16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-18 _Entry.Accession_date 2008-12-18 _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 . . . 16068 2 Bernard Gilquin . . . 16068 3 Sophie Zinn-Justin . . . 16068 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID beta-barrel . 16068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 16068 '15N chemical shifts' 97 16068 '1H chemical shifts' 459 16068 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 3 . . 2010-06-02 2008-12-18 update BMRB 'edit assembly name' 16068 2 . . 2009-06-01 2008-12-18 update BMRB 'complete entry citation' 16068 1 . . 2009-05-20 2008-12-18 original author 'original release' 16068 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCA 'BMRB Entry Tracking System' 16068 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16068 _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 . _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 . . . 16068 1 2 Matthieu Gallopin . . . 16068 1 3 Bernard Gilquin . . . 16068 1 4 Sandrine Brasiles . . . 16068 1 5 Nathalie Lancelot . . . 16068 1 6 Guillaume Letellier . . . 16068 1 7 Mathilde Gilles . . . 16068 1 8 Guillaume Dethan . . . 16068 1 9 Elena Orlova . V. . 16068 1 10 Joel Couprie . . . 16068 1 11 Paulo Tavares . . . 16068 1 12 Sophie Zinn-Justin . . . 16068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16068 _Assembly.ID 1 _Assembly.Name gp16 _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 gp16 1 $gp16 A . yes native no no . . . 16068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp16 _Entity.Sf_category entity _Entity.Sf_framecode gp16 _Entity.Entry_ID 16068 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gp16 _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 ; MYEEFRDVITFQSYVEQSNG EGGKTYKWVDEFTAAAHVQP ISQEEYYKAQQLQTPIGYNI YTPYDDRIDKKMRVIYRGKI VTFIGDPVDLSGLQEITRIK GKEDGAYVG ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12615.187 _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 2KCA . Gp16 . . . . . 100.00 109 100.00 100.00 4.70e-72 . . . . 16068 1 2 no PDB 5A20 . "Structure Of Bacteriophage Spp1 Head-to-tail Interface Filled With Dna And Tape Measure Protein" . . . . . 100.00 109 100.00 100.00 4.70e-72 . . . . 16068 1 3 no PDB 5A21 . "Structure Of Bacteriophage Spp1 Head-to-tail Interface Without Dna And Tape Measure Protein" . . . . . 100.00 109 100.00 100.00 4.70e-72 . . . . 16068 1 4 no EMBL CAA66547 . "unnamed protein product [Bacillus phage SPP1]" . . . . . 100.00 109 99.08 99.08 6.80e-71 . . . . 16068 1 5 no REF NP_690677 . "hypothetical protein SPP1p026 [Bacillus phage SPP1]" . . . . . 100.00 109 99.08 99.08 6.80e-71 . . . . 16068 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 . MET . 16068 1 2 . TYR . 16068 1 3 . GLU . 16068 1 4 . GLU . 16068 1 5 . PHE . 16068 1 6 . ARG . 16068 1 7 . ASP . 16068 1 8 . VAL . 16068 1 9 . ILE . 16068 1 10 . THR . 16068 1 11 . PHE . 16068 1 12 . GLN . 16068 1 13 . SER . 16068 1 14 . TYR . 16068 1 15 . VAL . 16068 1 16 . GLU . 16068 1 17 . GLN . 16068 1 18 . SER . 16068 1 19 . ASN . 16068 1 20 . GLY . 16068 1 21 . GLU . 16068 1 22 . GLY . 16068 1 23 . GLY . 16068 1 24 . LYS . 16068 1 25 . THR . 16068 1 26 . TYR . 16068 1 27 . LYS . 16068 1 28 . TRP . 16068 1 29 . VAL . 16068 1 30 . ASP . 16068 1 31 . GLU . 16068 1 32 . PHE . 16068 1 33 . THR . 16068 1 34 . ALA . 16068 1 35 . ALA . 16068 1 36 . ALA . 16068 1 37 . HIS . 16068 1 38 . VAL . 16068 1 39 . GLN . 16068 1 40 . PRO . 16068 1 41 . ILE . 16068 1 42 . SER . 16068 1 43 . GLN . 16068 1 44 . GLU . 16068 1 45 . GLU . 16068 1 46 . TYR . 16068 1 47 . TYR . 16068 1 48 . LYS . 16068 1 49 . ALA . 16068 1 50 . GLN . 16068 1 51 . GLN . 16068 1 52 . LEU . 16068 1 53 . GLN . 16068 1 54 . THR . 16068 1 55 . PRO . 16068 1 56 . ILE . 16068 1 57 . GLY . 16068 1 58 . TYR . 16068 1 59 . ASN . 16068 1 60 . ILE . 16068 1 61 . TYR . 16068 1 62 . THR . 16068 1 63 . PRO . 16068 1 64 . TYR . 16068 1 65 . ASP . 16068 1 66 . ASP . 16068 1 67 . ARG . 16068 1 68 . ILE . 16068 1 69 . ASP . 16068 1 70 . LYS . 16068 1 71 . LYS . 16068 1 72 . MET . 16068 1 73 . ARG . 16068 1 74 . VAL . 16068 1 75 . ILE . 16068 1 76 . TYR . 16068 1 77 . ARG . 16068 1 78 . GLY . 16068 1 79 . LYS . 16068 1 80 . ILE . 16068 1 81 . VAL . 16068 1 82 . THR . 16068 1 83 . PHE . 16068 1 84 . ILE . 16068 1 85 . GLY . 16068 1 86 . ASP . 16068 1 87 . PRO . 16068 1 88 . VAL . 16068 1 89 . ASP . 16068 1 90 . LEU . 16068 1 91 . SER . 16068 1 92 . GLY . 16068 1 93 . LEU . 16068 1 94 . GLN . 16068 1 95 . GLU . 16068 1 96 . ILE . 16068 1 97 . THR . 16068 1 98 . ARG . 16068 1 99 . ILE . 16068 1 100 . LYS . 16068 1 101 . GLY . 16068 1 102 . LYS . 16068 1 103 . GLU . 16068 1 104 . ASP . 16068 1 105 . GLY . 16068 1 106 . ALA . 16068 1 107 . TYR . 16068 1 108 . VAL . 16068 1 109 . GLY . 16068 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 . MET 1 1 16068 1 . TYR 2 2 16068 1 . GLU 3 3 16068 1 . GLU 4 4 16068 1 . PHE 5 5 16068 1 . ARG 6 6 16068 1 . ASP 7 7 16068 1 . VAL 8 8 16068 1 . ILE 9 9 16068 1 . THR 10 10 16068 1 . PHE 11 11 16068 1 . GLN 12 12 16068 1 . SER 13 13 16068 1 . TYR 14 14 16068 1 . VAL 15 15 16068 1 . GLU 16 16 16068 1 . GLN 17 17 16068 1 . SER 18 18 16068 1 . ASN 19 19 16068 1 . GLY 20 20 16068 1 . GLU 21 21 16068 1 . GLY 22 22 16068 1 . GLY 23 23 16068 1 . LYS 24 24 16068 1 . THR 25 25 16068 1 . TYR 26 26 16068 1 . LYS 27 27 16068 1 . TRP 28 28 16068 1 . VAL 29 29 16068 1 . ASP 30 30 16068 1 . GLU 31 31 16068 1 . PHE 32 32 16068 1 . THR 33 33 16068 1 . ALA 34 34 16068 1 . ALA 35 35 16068 1 . ALA 36 36 16068 1 . HIS 37 37 16068 1 . VAL 38 38 16068 1 . GLN 39 39 16068 1 . PRO 40 40 16068 1 . ILE 41 41 16068 1 . SER 42 42 16068 1 . GLN 43 43 16068 1 . GLU 44 44 16068 1 . GLU 45 45 16068 1 . TYR 46 46 16068 1 . TYR 47 47 16068 1 . LYS 48 48 16068 1 . ALA 49 49 16068 1 . GLN 50 50 16068 1 . GLN 51 51 16068 1 . LEU 52 52 16068 1 . GLN 53 53 16068 1 . THR 54 54 16068 1 . PRO 55 55 16068 1 . ILE 56 56 16068 1 . GLY 57 57 16068 1 . TYR 58 58 16068 1 . ASN 59 59 16068 1 . ILE 60 60 16068 1 . TYR 61 61 16068 1 . THR 62 62 16068 1 . PRO 63 63 16068 1 . TYR 64 64 16068 1 . ASP 65 65 16068 1 . ASP 66 66 16068 1 . ARG 67 67 16068 1 . ILE 68 68 16068 1 . ASP 69 69 16068 1 . LYS 70 70 16068 1 . LYS 71 71 16068 1 . MET 72 72 16068 1 . ARG 73 73 16068 1 . VAL 74 74 16068 1 . ILE 75 75 16068 1 . TYR 76 76 16068 1 . ARG 77 77 16068 1 . GLY 78 78 16068 1 . LYS 79 79 16068 1 . ILE 80 80 16068 1 . VAL 81 81 16068 1 . THR 82 82 16068 1 . PHE 83 83 16068 1 . ILE 84 84 16068 1 . GLY 85 85 16068 1 . ASP 86 86 16068 1 . PRO 87 87 16068 1 . VAL 88 88 16068 1 . ASP 89 89 16068 1 . LEU 90 90 16068 1 . SER 91 91 16068 1 . GLY 92 92 16068 1 . LEU 93 93 16068 1 . GLN 94 94 16068 1 . GLU 95 95 16068 1 . ILE 96 96 16068 1 . THR 97 97 16068 1 . ARG 98 98 16068 1 . ILE 99 99 16068 1 . LYS 100 100 16068 1 . GLY 101 101 16068 1 . LYS 102 102 16068 1 . GLU 103 103 16068 1 . ASP 104 104 16068 1 . GLY 105 105 16068 1 . ALA 106 106 16068 1 . TYR 107 107 16068 1 . VAL 108 108 16068 1 . GLY 109 109 16068 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 16068 _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 $gp16 . 10724 virus . 'Bacteriophage SPP1' 'Bacillus phage SPP1' . . Viruses . Bacteriophage SPP1 . . . . . . . . . . . . . . . . . . . . . 16068 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 16068 _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 $gp16 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pLysS . . . . . . 16068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16068 _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 gp16 'natural abundance' . . 1 $gp16 . . 0.35 . . mM . . . . 16068 1 2 HEPES 'natural abundance' . . . . . . 5 . . mM . . . . 16068 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 16068 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16068 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16068 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16068 _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 gp16 '[U-100% 15N]' . . 1 $gp16 . . 0.35 . . mM . . . . 16068 2 2 HEPES 'natural abundance' . . . . . . 5 . . mM . . . . 16068 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 16068 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16068 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16068 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16068 _Sample.ID 3 _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 gp16 '[U-100% 13C; U-100% 15N]' . . 1 $gp16 . . 0.35 . . mM . . . . 16068 3 2 HEPES 'natural abundance' . . . . . . 5 . . mM . . . . 16068 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 16068 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16068 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16068 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16068 _Sample.ID 4 _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 gp16 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $gp16 . . 0.35 . . mM . . . . 16068 4 2 HEPES 'natural abundance' . . . . . . 5 . . mM . . . . 16068 4 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 16068 4 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16068 4 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16068 4 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 16068 _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 16068 1 pH 7.5 . pH 16068 1 pressure 1 . atm 16068 1 temperature 298 . K 16068 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16068 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16068 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16068 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16068 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16068 2 stop_ save_ save_INCA _Software.Sf_category software _Software.Sf_framecode INCA _Software.Entry_ID 16068 _Software.ID 3 _Software.Name INCA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bernard Gilquin' . . 16068 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16068 3 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 16068 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'wtih 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 16068 _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 16068 _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 'wtih cryoprobe' . . 16068 1 2 spectrometer_2 Bruker 'Avance 2' . 700 'with cryoprobe' . . 16068 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 16068 _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 '1H-2H exchange experiments' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 2 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 5 '1H-15N nOe transfer' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 7 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 8 '3D HNCACO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 9 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 10 '3D CBCACONH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 11 '3D HBHACONH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 12 '3D HCCH COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 13 '3D HCCH TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 15 HNCACB no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 16 HNCACO no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 1 17 HNCOCACB no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16068 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 16068 _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 . . . . . . . . . 16068 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16068 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329112 . . . . . . . . . 16068 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 16068 _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 2 '3D HNHA' . . . 16068 1 3 '2D 1H-15N HSQC' . . . 16068 1 4 '3D 1H-15N NOESY' . . . 16068 1 6 '3D HNCO' . . . 16068 1 7 '3D HNCA' . . . 16068 1 8 '3D HNCACO' . . . 16068 1 10 '3D CBCACONH' . . . 16068 1 12 '3D HCCH COSY' . . . 16068 1 13 '3D HCCH TOCSY' . . . 16068 1 14 '3D 1H-13C NOESY' . . . 16068 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 7.977 0.02 . 1 . . . . 35 MET H . 16068 1 2 . 1 1 1 1 MET HA H 1 4.073 0.02 . 1 . . . . 35 MET HA . 16068 1 3 . 1 1 1 1 MET HB2 H 1 2.180 0.02 . 1 . . . . 35 MET HB2 . 16068 1 4 . 1 1 1 1 MET HB3 H 1 1.740 0.02 . 1 . . . . 35 MET HB3 . 16068 1 5 . 1 1 1 1 MET C C 13 175.700 0.10 . 1 . . . . 35 MET C . 16068 1 6 . 1 1 1 1 MET CA C 13 56.519 0.10 . 1 . . . . 35 MET CA . 16068 1 7 . 1 1 1 1 MET CB C 13 31.877 0.10 . 1 . . . . 35 MET CB . 16068 1 8 . 1 1 1 1 MET N N 15 120.632 0.10 . 1 . . . . 35 MET N . 16068 1 9 . 1 1 2 2 TYR H H 1 7.537 0.02 . 1 . . . . 36 TYR H . 16068 1 10 . 1 1 2 2 TYR HA H 1 3.945 0.02 . 1 . . . . 36 TYR HA . 16068 1 11 . 1 1 2 2 TYR HB2 H 1 2.720 0.02 . 1 . . . . 36 TYR HB2 . 16068 1 12 . 1 1 2 2 TYR HB3 H 1 2.630 0.02 . 1 . . . . 36 TYR HB3 . 16068 1 13 . 1 1 2 2 TYR HD1 H 1 6.770 0.02 . 1 . . . . 36 TYR HD1 . 16068 1 14 . 1 1 2 2 TYR HE1 H 1 6.640 0.02 . 1 . . . . 36 TYR HE1 . 16068 1 15 . 1 1 2 2 TYR C C 13 176.000 0.10 . 1 . . . . 36 TYR C . 16068 1 16 . 1 1 2 2 TYR CA C 13 57.871 0.10 . 1 . . . . 36 TYR CA . 16068 1 17 . 1 1 2 2 TYR CB C 13 37.248 0.10 . 1 . . . . 36 TYR CB . 16068 1 18 . 1 1 2 2 TYR N N 15 117.048 0.10 . 1 . . . . 36 TYR N . 16068 1 19 . 1 1 3 3 GLU H H 1 7.718 0.02 . 1 . . . . 37 GLU H . 16068 1 20 . 1 1 3 3 GLU HA H 1 4.025 0.02 . 1 . . . . 37 GLU HA . 16068 1 21 . 1 1 3 3 GLU HB2 H 1 1.910 0.02 . 1 . . . . 37 GLU HB2 . 16068 1 22 . 1 1 3 3 GLU HB3 H 1 1.730 0.02 . 1 . . . . 37 GLU HB3 . 16068 1 23 . 1 1 3 3 GLU HG2 H 1 2.100 0.02 . 1 . . . . 37 GLU HG2 . 16068 1 24 . 1 1 3 3 GLU C C 13 176.100 0.10 . 1 . . . . 37 GLU C . 16068 1 25 . 1 1 3 3 GLU CA C 13 56.788 0.10 . 1 . . . . 37 GLU CA . 16068 1 26 . 1 1 3 3 GLU CB C 13 29.527 0.10 . 1 . . . . 37 GLU CB . 16068 1 27 . 1 1 3 3 GLU CG C 13 35.700 0.10 . 1 . . . . 37 GLU CG . 16068 1 28 . 1 1 3 3 GLU N N 15 118.925 0.10 . 1 . . . . 37 GLU N . 16068 1 29 . 1 1 4 4 GLU H H 1 7.866 0.02 . 1 . . . . 38 GLU H . 16068 1 30 . 1 1 4 4 GLU HA H 1 4.215 0.02 . 1 . . . . 38 GLU HA . 16068 1 31 . 1 1 4 4 GLU HB2 H 1 1.790 0.02 . 1 . . . . 38 GLU HB2 . 16068 1 32 . 1 1 4 4 GLU HB3 H 1 2.070 0.02 . 1 . . . . 38 GLU HB3 . 16068 1 33 . 1 1 4 4 GLU HG2 H 1 1.980 0.02 . 1 . . . . 38 GLU HG2 . 16068 1 34 . 1 1 4 4 GLU HG3 H 1 2.150 0.02 . 1 . . . . 38 GLU HG3 . 16068 1 35 . 1 1 4 4 GLU C C 13 176.205 0.10 . 1 . . . . 38 GLU C . 16068 1 36 . 1 1 4 4 GLU CA C 13 55.595 0.10 . 1 . . . . 38 GLU CA . 16068 1 37 . 1 1 4 4 GLU CB C 13 29.162 0.10 . 1 . . . . 38 GLU CB . 16068 1 38 . 1 1 4 4 GLU N N 15 116.623 0.10 . 1 . . . . 38 GLU N . 16068 1 39 . 1 1 5 5 PHE H H 1 8.087 0.02 . 1 . . . . 39 PHE H . 16068 1 40 . 1 1 5 5 PHE HA H 1 4.780 0.02 . 1 . . . . 39 PHE HA . 16068 1 41 . 1 1 5 5 PHE HB2 H 1 3.250 0.02 . 1 . . . . 39 PHE HB2 . 16068 1 42 . 1 1 5 5 PHE HB3 H 1 3.020 0.02 . 1 . . . . 39 PHE HB3 . 16068 1 43 . 1 1 5 5 PHE HD1 H 1 7.160 0.02 . 1 . . . . 39 PHE HD1 . 16068 1 44 . 1 1 5 5 PHE HE1 H 1 6.940 0.02 . 1 . . . . 39 PHE HE1 . 16068 1 45 . 1 1 5 5 PHE HZ H 1 7.010 0.02 . 1 . . . . 39 PHE HZ . 16068 1 46 . 1 1 5 5 PHE C C 13 176.758 0.10 . 1 . . . . 39 PHE C . 16068 1 47 . 1 1 5 5 PHE CA C 13 54.914 0.10 . 1 . . . . 39 PHE CA . 16068 1 48 . 1 1 5 5 PHE CB C 13 36.531 0.10 . 1 . . . . 39 PHE CB . 16068 1 49 . 1 1 5 5 PHE N N 15 121.852 0.10 . 1 . . . . 39 PHE N . 16068 1 50 . 1 1 6 6 ARG HA H 1 4.515 0.02 . 1 . . . . 40 ARG HA . 16068 1 51 . 1 1 6 6 ARG C C 13 176.376 0.10 . 1 . . . . 40 ARG C . 16068 1 52 . 1 1 6 6 ARG CA C 13 56.288 0.10 . 1 . . . . 40 ARG CA . 16068 1 53 . 1 1 6 6 ARG CB C 13 31.100 0.10 . 1 . . . . 40 ARG CB . 16068 1 54 . 1 1 7 7 ASP H H 1 8.851 0.02 . 1 . . . . 41 ASP H . 16068 1 55 . 1 1 7 7 ASP HA H 1 5.182 0.02 . 1 . . . . 41 ASP HA . 16068 1 56 . 1 1 7 7 ASP HB2 H 1 2.590 0.02 . 1 . . . . 41 ASP HB2 . 16068 1 57 . 1 1 7 7 ASP C C 13 175.379 0.10 . 1 . . . . 41 ASP C . 16068 1 58 . 1 1 7 7 ASP CA C 13 53.324 0.10 . 1 . . . . 41 ASP CA . 16068 1 59 . 1 1 7 7 ASP CB C 13 44.292 0.10 . 1 . . . . 41 ASP CB . 16068 1 60 . 1 1 7 7 ASP N N 15 119.795 0.10 . 1 . . . . 41 ASP N . 16068 1 61 . 1 1 8 8 VAL H H 1 8.580 0.02 . 1 . . . . 42 VAL H . 16068 1 62 . 1 1 8 8 VAL HA H 1 4.856 0.02 . 1 . . . . 42 VAL HA . 16068 1 63 . 1 1 8 8 VAL HB H 1 1.890 0.02 . 1 . . . . 42 VAL HB . 16068 1 64 . 1 1 8 8 VAL HG11 H 1 0.910 0.02 . 1 . . . . 42 VAL HG1 . 16068 1 65 . 1 1 8 8 VAL HG12 H 1 0.910 0.02 . 1 . . . . 42 VAL HG1 . 16068 1 66 . 1 1 8 8 VAL HG13 H 1 0.910 0.02 . 1 . . . . 42 VAL HG1 . 16068 1 67 . 1 1 8 8 VAL HG21 H 1 0.860 0.02 . 1 . . . . 42 VAL HG2 . 16068 1 68 . 1 1 8 8 VAL HG22 H 1 0.860 0.02 . 1 . . . . 42 VAL HG2 . 16068 1 69 . 1 1 8 8 VAL HG23 H 1 0.860 0.02 . 1 . . . . 42 VAL HG2 . 16068 1 70 . 1 1 8 8 VAL C C 13 175.170 0.10 . 1 . . . . 42 VAL C . 16068 1 71 . 1 1 8 8 VAL CA C 13 61.398 0.10 . 1 . . . . 42 VAL CA . 16068 1 72 . 1 1 8 8 VAL CB C 13 33.643 0.10 . 1 . . . . 42 VAL CB . 16068 1 73 . 1 1 8 8 VAL CG1 C 13 20.300 0.10 . 1 . . . . 42 VAL CG1 . 16068 1 74 . 1 1 8 8 VAL CG2 C 13 20.700 0.10 . 1 . . . . 42 VAL CG2 . 16068 1 75 . 1 1 8 8 VAL N N 15 120.042 0.10 . 1 . . . . 42 VAL N . 16068 1 76 . 1 1 9 9 ILE H H 1 8.765 0.02 . 1 . . . . 43 ILE H . 16068 1 77 . 1 1 9 9 ILE HA H 1 4.939 0.02 . 1 . . . . 43 ILE HA . 16068 1 78 . 1 1 9 9 ILE HB H 1 1.550 0.02 . 1 . . . . 43 ILE HB . 16068 1 79 . 1 1 9 9 ILE C C 13 173.755 0.10 . 1 . . . . 43 ILE C . 16068 1 80 . 1 1 9 9 ILE CA C 13 58.528 0.10 . 1 . . . . 43 ILE CA . 16068 1 81 . 1 1 9 9 ILE CB C 13 40.437 0.10 . 1 . . . . 43 ILE CB . 16068 1 82 . 1 1 9 9 ILE N N 15 117.778 0.10 . 1 . . . . 43 ILE N . 16068 1 83 . 1 1 10 10 THR H H 1 7.834 0.02 . 1 . . . . 44 THR H . 16068 1 84 . 1 1 10 10 THR HA H 1 4.709 0.02 . 1 . . . . 44 THR HA . 16068 1 85 . 1 1 10 10 THR HB H 1 3.610 0.02 . 1 . . . . 44 THR HB . 16068 1 86 . 1 1 10 10 THR HG21 H 1 0.970 0.02 . 1 . . . . 44 THR HG1 . 16068 1 87 . 1 1 10 10 THR HG22 H 1 0.970 0.02 . 1 . . . . 44 THR HG1 . 16068 1 88 . 1 1 10 10 THR HG23 H 1 0.970 0.02 . 1 . . . . 44 THR HG1 . 16068 1 89 . 1 1 10 10 THR C C 13 173.691 0.10 . 1 . . . . 44 THR C . 16068 1 90 . 1 1 10 10 THR CA C 13 61.662 0.10 . 1 . . . . 44 THR CA . 16068 1 91 . 1 1 10 10 THR CB C 13 70.906 0.10 . 1 . . . . 44 THR CB . 16068 1 92 . 1 1 10 10 THR CG2 C 13 20.300 0.10 . 1 . . . . 44 THR CG2 . 16068 1 93 . 1 1 10 10 THR N N 15 116.613 0.10 . 1 . . . . 44 THR N . 16068 1 94 . 1 1 11 11 PHE H H 1 8.821 0.02 . 1 . . . . 45 PHE H . 16068 1 95 . 1 1 11 11 PHE HA H 1 4.807 0.02 . 1 . . . . 45 PHE HA . 16068 1 96 . 1 1 11 11 PHE C C 13 175.619 0.10 . 1 . . . . 45 PHE C . 16068 1 97 . 1 1 11 11 PHE CA C 13 57.779 0.10 . 1 . . . . 45 PHE CA . 16068 1 98 . 1 1 11 11 PHE CB C 13 39.649 0.10 . 1 . . . . 45 PHE CB . 16068 1 99 . 1 1 11 11 PHE N N 15 125.155 0.10 . 1 . . . . 45 PHE N . 16068 1 100 . 1 1 12 12 GLN H H 1 9.103 0.02 . 1 . . . . 46 GLN H . 16068 1 101 . 1 1 12 12 GLN HA H 1 5.573 0.02 . 1 . . . . 46 GLN HA . 16068 1 102 . 1 1 12 12 GLN HB2 H 1 2.110 0.02 . 1 . . . . 46 GLN HB2 . 16068 1 103 . 1 1 12 12 GLN HB3 H 1 1.890 0.02 . 1 . . . . 46 GLN HB3 . 16068 1 104 . 1 1 12 12 GLN HG2 H 1 2.220 0.02 . 1 . . . . 46 GLN HG2 . 16068 1 105 . 1 1 12 12 GLN C C 13 175.011 0.10 . 1 . . . . 46 GLN C . 16068 1 106 . 1 1 12 12 GLN CA C 13 54.423 0.10 . 1 . . . . 46 GLN CA . 16068 1 107 . 1 1 12 12 GLN CB C 13 34.467 0.10 . 1 . . . . 46 GLN CB . 16068 1 108 . 1 1 12 12 GLN N N 15 119.069 0.10 . 1 . . . . 46 GLN N . 16068 1 109 . 1 1 13 13 SER H H 1 8.730 0.02 . 1 . . . . 47 SER H . 16068 1 110 . 1 1 13 13 SER HA H 1 5.229 0.02 . 1 . . . . 47 SER HA . 16068 1 111 . 1 1 13 13 SER HB2 H 1 3.680 0.02 . 1 . . . . 47 SER HB2 . 16068 1 112 . 1 1 13 13 SER C C 13 171.559 0.10 . 1 . . . . 47 SER C . 16068 1 113 . 1 1 13 13 SER CA C 13 56.514 0.10 . 1 . . . . 47 SER CA . 16068 1 114 . 1 1 13 13 SER CB C 13 66.075 0.10 . 1 . . . . 47 SER CB . 16068 1 115 . 1 1 13 13 SER N N 15 114.734 0.10 . 1 . . . . 47 SER N . 16068 1 116 . 1 1 14 14 TYR H H 1 8.544 0.02 . 1 . . . . 48 TYR H . 16068 1 117 . 1 1 14 14 TYR HA H 1 4.256 0.02 . 1 . . . . 48 TYR HA . 16068 1 118 . 1 1 14 14 TYR HB2 H 1 2.120 0.02 . 1 . . . . 48 TYR HB2 . 16068 1 119 . 1 1 14 14 TYR HB3 H 1 0.460 0.02 . 1 . . . . 48 TYR HB3 . 16068 1 120 . 1 1 14 14 TYR HD1 H 1 5.770 0.02 . 1 . . . . 48 TYR HD1 . 16068 1 121 . 1 1 14 14 TYR HE1 H 1 6.260 0.02 . 1 . . . . 48 TYR HE1 . 16068 1 122 . 1 1 14 14 TYR C C 13 175.437 0.10 . 1 . . . . 48 TYR C . 16068 1 123 . 1 1 14 14 TYR CA C 13 56.137 0.10 . 1 . . . . 48 TYR CA . 16068 1 124 . 1 1 14 14 TYR CB C 13 36.242 0.10 . 1 . . . . 48 TYR CB . 16068 1 125 . 1 1 14 14 TYR CD1 C 13 132.300 0.10 . 1 . . . . 48 TYR CD1 . 16068 1 126 . 1 1 14 14 TYR CE1 C 13 117.100 0.10 . 1 . . . . 48 TYR CE1 . 16068 1 127 . 1 1 14 14 TYR N N 15 126.962 0.10 . 1 . . . . 48 TYR N . 16068 1 128 . 1 1 15 15 VAL H H 1 8.537 0.02 . 1 . . . . 49 VAL H . 16068 1 129 . 1 1 15 15 VAL HA H 1 4.360 0.02 . 1 . . . . 49 VAL HA . 16068 1 130 . 1 1 15 15 VAL HB H 1 1.900 0.02 . 1 . . . . 49 VAL HB . 16068 1 131 . 1 1 15 15 VAL HG11 H 1 0.760 0.02 . 1 . . . . 49 VAL HG1 . 16068 1 132 . 1 1 15 15 VAL HG12 H 1 0.760 0.02 . 1 . . . . 49 VAL HG1 . 16068 1 133 . 1 1 15 15 VAL HG13 H 1 0.760 0.02 . 1 . . . . 49 VAL HG1 . 16068 1 134 . 1 1 15 15 VAL C C 13 174.600 0.10 . 1 . . . . 49 VAL C . 16068 1 135 . 1 1 15 15 VAL CA C 13 62.600 0.10 . 1 . . . . 49 VAL CA . 16068 1 136 . 1 1 15 15 VAL CB C 13 35.100 0.10 . 1 . . . . 49 VAL CB . 16068 1 137 . 1 1 15 15 VAL CG1 C 13 19.800 0.10 . 1 . . . . 49 VAL CG1 . 16068 1 138 . 1 1 15 15 VAL N N 15 123.837 0.10 . 1 . . . . 49 VAL N . 16068 1 139 . 1 1 16 16 GLU H H 1 8.296 0.02 . 1 . . . . 50 GLU H . 16068 1 140 . 1 1 16 16 GLU HA H 1 3.702 0.02 . 1 . . . . 50 GLU HA . 16068 1 141 . 1 1 16 16 GLU HB2 H 1 1.680 0.02 . 1 . . . . 50 GLU HB2 . 16068 1 142 . 1 1 16 16 GLU HB3 H 1 1.570 0.02 . 1 . . . . 50 GLU HB3 . 16068 1 143 . 1 1 16 16 GLU HG2 H 1 1.800 0.02 . 1 . . . . 50 GLU HG2 . 16068 1 144 . 1 1 16 16 GLU C C 13 175.947 0.10 . 1 . . . . 50 GLU C . 16068 1 145 . 1 1 16 16 GLU CA C 13 55.400 0.10 . 1 . . . . 50 GLU CA . 16068 1 146 . 1 1 16 16 GLU CB C 13 30.100 0.10 . 1 . . . . 50 GLU CB . 16068 1 147 . 1 1 16 16 GLU N N 15 124.989 0.10 . 1 . . . . 50 GLU N . 16068 1 148 . 1 1 17 17 GLN H H 1 8.529 0.02 . 1 . . . . 51 GLN H . 16068 1 149 . 1 1 17 17 GLN HA H 1 4.415 0.02 . 1 . . . . 51 GLN HA . 16068 1 150 . 1 1 17 17 GLN HB2 H 1 1.940 0.02 . 1 . . . . 51 GLN HB2 . 16068 1 151 . 1 1 17 17 GLN HB3 H 1 1.730 0.02 . 1 . . . . 51 GLN HB3 . 16068 1 152 . 1 1 17 17 GLN HG2 H 1 2.080 0.02 . 1 . . . . 51 GLN HG2 . 16068 1 153 . 1 1 17 17 GLN C C 13 175.122 0.10 . 1 . . . . 51 GLN C . 16068 1 154 . 1 1 17 17 GLN CA C 13 54.060 0.10 . 1 . . . . 51 GLN CA . 16068 1 155 . 1 1 17 17 GLN CB C 13 29.943 0.10 . 1 . . . . 51 GLN CB . 16068 1 156 . 1 1 17 17 GLN CG C 13 33.300 0.10 . 1 . . . . 51 GLN CG . 16068 1 157 . 1 1 17 17 GLN N N 15 124.656 0.10 . 1 . . . . 51 GLN N . 16068 1 158 . 1 1 18 18 SER HA H 1 4.420 0.02 . 1 . . . . 52 SER HA . 16068 1 159 . 1 1 18 18 SER C C 13 173.505 0.10 . 1 . . . . 52 SER C . 16068 1 160 . 1 1 18 18 SER CA C 13 58.279 0.10 . 1 . . . . 52 SER CA . 16068 1 161 . 1 1 18 18 SER CB C 13 63.835 0.10 . 1 . . . . 52 SER CB . 16068 1 162 . 1 1 19 19 ASN H H 1 8.109 0.02 . 1 . . . . 53 ASN H . 16068 1 163 . 1 1 19 19 ASN HA H 1 4.399 0.02 . 1 . . . . 53 ASN HA . 16068 1 164 . 1 1 19 19 ASN HB2 H 1 2.700 0.02 . 1 . . . . 53 ASN HB2 . 16068 1 165 . 1 1 19 19 ASN HB3 H 1 2.370 0.02 . 1 . . . . 53 ASN HB3 . 16068 1 166 . 1 1 19 19 ASN C C 13 179.837 0.10 . 1 . . . . 53 ASN C . 16068 1 167 . 1 1 19 19 ASN CA C 13 54.664 0.10 . 1 . . . . 53 ASN CA . 16068 1 168 . 1 1 19 19 ASN CB C 13 39.983 0.10 . 1 . . . . 53 ASN CB . 16068 1 169 . 1 1 19 19 ASN N N 15 126.199 0.10 . 1 . . . . 53 ASN N . 16068 1 170 . 1 1 20 20 GLY H H 1 8.166 0.02 . 1 . . . . 54 GLY H . 16068 1 171 . 1 1 20 20 GLY HA2 H 1 3.911 0.02 . 1 . . . . 54 GLY HA2 . 16068 1 172 . 1 1 20 20 GLY C C 13 174.876 0.10 . 1 . . . . 54 GLY C . 16068 1 173 . 1 1 20 20 GLY CA C 13 45.206 0.10 . 1 . . . . 54 GLY CA . 16068 1 174 . 1 1 20 20 GLY N N 15 113.067 0.10 . 1 . . . . 54 GLY N . 16068 1 175 . 1 1 22 22 GLY CA C 13 45.279 0.10 . 1 . . . . 56 GLY CA . 16068 1 176 . 1 1 23 23 GLY H H 1 8.235 0.02 . 1 . . . . 57 GLY H . 16068 1 177 . 1 1 23 23 GLY HA2 H 1 3.929 0.02 . 1 . . . . 57 GLY HA2 . 16068 1 178 . 1 1 23 23 GLY C C 13 173.796 0.10 . 1 . . . . 57 GLY C . 16068 1 179 . 1 1 23 23 GLY CA C 13 45.348 0.10 . 1 . . . . 57 GLY CA . 16068 1 180 . 1 1 23 23 GLY N N 15 108.389 0.10 . 1 . . . . 57 GLY N . 16068 1 181 . 1 1 24 24 LYS HA H 1 4.804 0.02 . 1 . . . . 58 LYS HA . 16068 1 182 . 1 1 24 24 LYS C C 13 175.908 0.10 . 1 . . . . 58 LYS C . 16068 1 183 . 1 1 24 24 LYS CA C 13 54.833 0.10 . 1 . . . . 58 LYS CA . 16068 1 184 . 1 1 24 24 LYS CB C 13 34.402 0.10 . 1 . . . . 58 LYS CB . 16068 1 185 . 1 1 25 25 THR H H 1 8.413 0.02 . 1 . . . . 59 THR H . 16068 1 186 . 1 1 25 25 THR HA H 1 4.482 0.02 . 1 . . . . 59 THR HA . 16068 1 187 . 1 1 25 25 THR HB H 1 4.010 0.02 . 1 . . . . 59 THR HB . 16068 1 188 . 1 1 25 25 THR HG21 H 1 1.060 0.02 . 1 . . . . 59 THR HG1 . 16068 1 189 . 1 1 25 25 THR HG22 H 1 1.060 0.02 . 1 . . . . 59 THR HG1 . 16068 1 190 . 1 1 25 25 THR HG23 H 1 1.060 0.02 . 1 . . . . 59 THR HG1 . 16068 1 191 . 1 1 25 25 THR C C 13 171.934 0.10 . 1 . . . . 59 THR C . 16068 1 192 . 1 1 25 25 THR CA C 13 60.144 0.10 . 1 . . . . 59 THR CA . 16068 1 193 . 1 1 25 25 THR CB C 13 71.035 0.10 . 1 . . . . 59 THR CB . 16068 1 194 . 1 1 25 25 THR CG2 C 13 20.300 0.10 . 1 . . . . 59 THR CG2 . 16068 1 195 . 1 1 25 25 THR N N 15 115.947 0.10 . 1 . . . . 59 THR N . 16068 1 196 . 1 1 26 26 TYR H H 1 8.182 0.02 . 1 . . . . 60 TYR H . 16068 1 197 . 1 1 26 26 TYR HA H 1 4.883 0.02 . 1 . . . . 60 TYR HA . 16068 1 198 . 1 1 26 26 TYR HB2 H 1 2.330 0.02 . 1 . . . . 60 TYR HB2 . 16068 1 199 . 1 1 26 26 TYR HB3 H 1 1.530 0.02 . 1 . . . . 60 TYR HB3 . 16068 1 200 . 1 1 26 26 TYR HD1 H 1 6.530 0.02 . 1 . . . . 60 TYR HD1 . 16068 1 201 . 1 1 26 26 TYR HE1 H 1 6.660 0.02 . 1 . . . . 60 TYR HE1 . 16068 1 202 . 1 1 26 26 TYR C C 13 173.593 0.10 . 1 . . . . 60 TYR C . 16068 1 203 . 1 1 26 26 TYR CA C 13 54.043 0.10 . 1 . . . . 60 TYR CA . 16068 1 204 . 1 1 26 26 TYR CB C 13 40.100 0.10 . 1 . . . . 60 TYR CB . 16068 1 205 . 1 1 26 26 TYR CD1 C 13 132.700 0.10 . 1 . . . . 60 TYR CD1 . 16068 1 206 . 1 1 26 26 TYR N N 15 121.985 0.10 . 1 . . . . 60 TYR N . 16068 1 207 . 1 1 27 27 LYS H H 1 8.385 0.02 . 1 . . . . 61 LYS H . 16068 1 208 . 1 1 27 27 LYS HA H 1 4.563 0.02 . 1 . . . . 61 LYS HA . 16068 1 209 . 1 1 27 27 LYS C C 13 174.186 0.10 . 1 . . . . 61 LYS C . 16068 1 210 . 1 1 27 27 LYS CA C 13 54.589 0.10 . 1 . . . . 61 LYS CA . 16068 1 211 . 1 1 27 27 LYS CB C 13 35.801 0.10 . 1 . . . . 61 LYS CB . 16068 1 212 . 1 1 27 27 LYS N N 15 120.203 0.10 . 1 . . . . 61 LYS N . 16068 1 213 . 1 1 28 28 TRP H H 1 8.524 0.02 . 1 . . . . 62 TRP H . 16068 1 214 . 1 1 28 28 TRP HA H 1 5.361 0.02 . 1 . . . . 62 TRP HA . 16068 1 215 . 1 1 28 28 TRP HB2 H 1 3.010 0.02 . 1 . . . . 62 TRP HB2 . 16068 1 216 . 1 1 28 28 TRP HB3 H 1 2.890 0.02 . 1 . . . . 62 TRP HB3 . 16068 1 217 . 1 1 28 28 TRP HD1 H 1 7.120 0.02 . 1 . . . . 62 TRP HD1 . 16068 1 218 . 1 1 28 28 TRP HE1 H 1 9.740 0.02 . 1 . . . . 62 TRP HE1 . 16068 1 219 . 1 1 28 28 TRP C C 13 176.934 0.10 . 1 . . . . 62 TRP C . 16068 1 220 . 1 1 28 28 TRP CA C 13 56.499 0.10 . 1 . . . . 62 TRP CA . 16068 1 221 . 1 1 28 28 TRP CB C 13 29.300 0.10 . 1 . . . . 62 TRP CB . 16068 1 222 . 1 1 28 28 TRP N N 15 122.913 0.10 . 1 . . . . 62 TRP N . 16068 1 223 . 1 1 28 28 TRP NE1 N 15 130.200 0.10 . 1 . . . . 62 TRP NE1 . 16068 1 224 . 1 1 29 29 VAL H H 1 9.470 0.02 . 1 . . . . 63 VAL H . 16068 1 225 . 1 1 29 29 VAL HA H 1 4.626 0.02 . 1 . . . . 63 VAL HA . 16068 1 226 . 1 1 29 29 VAL HB H 1 2.080 0.02 . 1 . . . . 63 VAL HB . 16068 1 227 . 1 1 29 29 VAL HG11 H 1 0.900 0.02 . 1 . . . . 63 VAL HG1 . 16068 1 228 . 1 1 29 29 VAL HG12 H 1 0.900 0.02 . 1 . . . . 63 VAL HG1 . 16068 1 229 . 1 1 29 29 VAL HG13 H 1 0.900 0.02 . 1 . . . . 63 VAL HG1 . 16068 1 230 . 1 1 29 29 VAL HG21 H 1 0.850 0.02 . 1 . . . . 63 VAL HG2 . 16068 1 231 . 1 1 29 29 VAL HG22 H 1 0.850 0.02 . 1 . . . . 63 VAL HG2 . 16068 1 232 . 1 1 29 29 VAL HG23 H 1 0.850 0.02 . 1 . . . . 63 VAL HG2 . 16068 1 233 . 1 1 29 29 VAL C C 13 175.264 0.10 . 1 . . . . 63 VAL C . 16068 1 234 . 1 1 29 29 VAL CA C 13 59.163 0.10 . 1 . . . . 63 VAL CA . 16068 1 235 . 1 1 29 29 VAL CB C 13 34.759 0.10 . 1 . . . . 63 VAL CB . 16068 1 236 . 1 1 29 29 VAL CG1 C 13 20.800 0.10 . 1 . . . . 63 VAL CG1 . 16068 1 237 . 1 1 29 29 VAL CG2 C 13 19.500 0.10 . 1 . . . . 63 VAL CG2 . 16068 1 238 . 1 1 29 29 VAL N N 15 120.454 0.10 . 1 . . . . 63 VAL N . 16068 1 239 . 1 1 30 30 ASP H H 1 8.576 0.02 . 1 . . . . 64 ASP H . 16068 1 240 . 1 1 30 30 ASP HA H 1 4.386 0.02 . 1 . . . . 64 ASP HA . 16068 1 241 . 1 1 30 30 ASP C C 13 174.186 0.10 . 1 . . . . 64 ASP C . 16068 1 242 . 1 1 30 30 ASP CA C 13 55.907 0.10 . 1 . . . . 64 ASP CA . 16068 1 243 . 1 1 30 30 ASP CB C 13 39.942 0.10 . 1 . . . . 64 ASP CB . 16068 1 244 . 1 1 30 30 ASP N N 15 123.588 0.10 . 1 . . . . 64 ASP N . 16068 1 245 . 1 1 31 31 GLU H H 1 9.482 0.02 . 1 . . . . 65 GLU H . 16068 1 246 . 1 1 31 31 GLU HA H 1 4.674 0.02 . 1 . . . . 65 GLU HA . 16068 1 247 . 1 1 31 31 GLU HB2 H 1 2.170 0.02 . 1 . . . . 65 GLU HB2 . 16068 1 248 . 1 1 31 31 GLU HB3 H 1 1.760 0.02 . 1 . . . . 65 GLU HB3 . 16068 1 249 . 1 1 31 31 GLU HG2 H 1 2.350 0.02 . 1 . . . . 65 GLU HG2 . 16068 1 250 . 1 1 31 31 GLU C C 13 176.000 0.10 . 1 . . . . 65 GLU C . 16068 1 251 . 1 1 31 31 GLU CA C 13 57.263 0.10 . 1 . . . . 65 GLU CA . 16068 1 252 . 1 1 31 31 GLU CB C 13 30.200 0.10 . 1 . . . . 65 GLU CB . 16068 1 253 . 1 1 31 31 GLU CG C 13 34.600 0.10 . 1 . . . . 65 GLU CG . 16068 1 254 . 1 1 31 31 GLU N N 15 124.008 0.10 . 1 . . . . 65 GLU N . 16068 1 255 . 1 1 32 32 PHE H H 1 7.257 0.02 . 1 . . . . 66 PHE H . 16068 1 256 . 1 1 32 32 PHE HA H 1 4.940 0.02 . 1 . . . . 66 PHE HA . 16068 1 257 . 1 1 32 32 PHE HB2 H 1 2.350 0.02 . 1 . . . . 66 PHE HB2 . 16068 1 258 . 1 1 32 32 PHE C C 13 172.742 0.10 . 1 . . . . 66 PHE C . 16068 1 259 . 1 1 32 32 PHE CA C 13 56.316 0.10 . 1 . . . . 66 PHE CA . 16068 1 260 . 1 1 32 32 PHE CB C 13 38.948 0.10 . 1 . . . . 66 PHE CB . 16068 1 261 . 1 1 32 32 PHE N N 15 110.866 0.10 . 1 . . . . 66 PHE N . 16068 1 262 . 1 1 33 33 THR H H 1 8.603 0.02 . 1 . . . . 67 THR H . 16068 1 263 . 1 1 33 33 THR HA H 1 5.377 0.02 . 1 . . . . 67 THR HA . 16068 1 264 . 1 1 33 33 THR HB H 1 4.000 0.02 . 1 . . . . 67 THR HB . 16068 1 265 . 1 1 33 33 THR HG21 H 1 1.210 0.02 . 1 . . . . 67 THR HG1 . 16068 1 266 . 1 1 33 33 THR HG22 H 1 1.210 0.02 . 1 . . . . 67 THR HG1 . 16068 1 267 . 1 1 33 33 THR HG23 H 1 1.210 0.02 . 1 . . . . 67 THR HG1 . 16068 1 268 . 1 1 33 33 THR C C 13 173.388 0.10 . 1 . . . . 67 THR C . 16068 1 269 . 1 1 33 33 THR CA C 13 60.207 0.10 . 1 . . . . 67 THR CA . 16068 1 270 . 1 1 33 33 THR CB C 13 71.620 0.10 . 1 . . . . 67 THR CB . 16068 1 271 . 1 1 33 33 THR CG2 C 13 21.100 0.10 . 1 . . . . 67 THR CG2 . 16068 1 272 . 1 1 33 33 THR N N 15 114.847 0.10 . 1 . . . . 67 THR N . 16068 1 273 . 1 1 34 34 ALA H H 1 9.185 0.02 . 1 . . . . 68 ALA H . 16068 1 274 . 1 1 34 34 ALA HA H 1 4.873 0.02 . 1 . . . . 68 ALA HA . 16068 1 275 . 1 1 34 34 ALA HB1 H 1 1.510 0.02 . 1 . . . . 68 ALA HB . 16068 1 276 . 1 1 34 34 ALA HB2 H 1 1.510 0.02 . 1 . . . . 68 ALA HB . 16068 1 277 . 1 1 34 34 ALA HB3 H 1 1.510 0.02 . 1 . . . . 68 ALA HB . 16068 1 278 . 1 1 34 34 ALA C C 13 174.999 0.10 . 1 . . . . 68 ALA C . 16068 1 279 . 1 1 34 34 ALA CA C 13 50.660 0.10 . 1 . . . . 68 ALA CA . 16068 1 280 . 1 1 34 34 ALA CB C 13 23.911 0.10 . 1 . . . . 68 ALA CB . 16068 1 281 . 1 1 34 34 ALA N N 15 125.817 0.10 . 1 . . . . 68 ALA N . 16068 1 282 . 1 1 35 35 ALA H H 1 8.347 0.02 . 1 . . . . 69 ALA H . 16068 1 283 . 1 1 35 35 ALA HA H 1 4.889 0.02 . 1 . . . . 69 ALA HA . 16068 1 284 . 1 1 35 35 ALA HB1 H 1 1.490 0.02 . 1 . . . . 69 ALA HB . 16068 1 285 . 1 1 35 35 ALA HB2 H 1 1.490 0.02 . 1 . . . . 69 ALA HB . 16068 1 286 . 1 1 35 35 ALA HB3 H 1 1.490 0.02 . 1 . . . . 69 ALA HB . 16068 1 287 . 1 1 35 35 ALA C C 13 176.937 0.10 . 1 . . . . 69 ALA C . 16068 1 288 . 1 1 35 35 ALA CA C 13 51.329 0.10 . 1 . . . . 69 ALA CA . 16068 1 289 . 1 1 35 35 ALA CB C 13 19.210 0.10 . 1 . . . . 69 ALA CB . 16068 1 290 . 1 1 35 35 ALA N N 15 122.342 0.10 . 1 . . . . 69 ALA N . 16068 1 291 . 1 1 36 36 ALA H H 1 8.468 0.02 . 1 . . . . 70 ALA H . 16068 1 292 . 1 1 36 36 ALA HA H 1 4.996 0.02 . 1 . . . . 70 ALA HA . 16068 1 293 . 1 1 36 36 ALA HB1 H 1 0.980 0.02 . 1 . . . . 70 ALA HB . 16068 1 294 . 1 1 36 36 ALA HB2 H 1 0.980 0.02 . 1 . . . . 70 ALA HB . 16068 1 295 . 1 1 36 36 ALA HB3 H 1 0.980 0.02 . 1 . . . . 70 ALA HB . 16068 1 296 . 1 1 36 36 ALA C C 13 175.102 0.10 . 1 . . . . 70 ALA C . 16068 1 297 . 1 1 36 36 ALA CA C 13 50.876 0.10 . 1 . . . . 70 ALA CA . 16068 1 298 . 1 1 36 36 ALA CB C 13 23.556 0.10 . 1 . . . . 70 ALA CB . 16068 1 299 . 1 1 36 36 ALA N N 15 120.267 0.10 . 1 . . . . 70 ALA N . 16068 1 300 . 1 1 37 37 HIS H H 1 9.136 0.02 . 1 . . . . 71 HIS H . 16068 1 301 . 1 1 37 37 HIS HA H 1 5.343 0.02 . 1 . . . . 71 HIS HA . 16068 1 302 . 1 1 37 37 HIS HB2 H 1 3.080 0.02 . 1 . . . . 71 HIS HB2 . 16068 1 303 . 1 1 37 37 HIS HB3 H 1 2.980 0.02 . 1 . . . . 71 HIS HB3 . 16068 1 304 . 1 1 37 37 HIS C C 13 174.002 0.10 . 1 . . . . 71 HIS C . 16068 1 305 . 1 1 37 37 HIS CA C 13 54.803 0.10 . 1 . . . . 71 HIS CA . 16068 1 306 . 1 1 37 37 HIS CB C 13 32.322 0.10 . 1 . . . . 71 HIS CB . 16068 1 307 . 1 1 37 37 HIS N N 15 119.360 0.10 . 1 . . . . 71 HIS N . 16068 1 308 . 1 1 38 38 VAL H H 1 8.557 0.02 . 1 . . . . 72 VAL H . 16068 1 309 . 1 1 38 38 VAL HA H 1 4.174 0.02 . 1 . . . . 72 VAL HA . 16068 1 310 . 1 1 38 38 VAL HB H 1 1.390 0.02 . 1 . . . . 72 VAL HB . 16068 1 311 . 1 1 38 38 VAL HG11 H 1 0.050 0.02 . 1 . . . . 72 VAL HG1 . 16068 1 312 . 1 1 38 38 VAL HG12 H 1 0.050 0.02 . 1 . . . . 72 VAL HG1 . 16068 1 313 . 1 1 38 38 VAL HG13 H 1 0.050 0.02 . 1 . . . . 72 VAL HG1 . 16068 1 314 . 1 1 38 38 VAL HG21 H 1 -0.290 0.02 . 1 . . . . 72 VAL HG2 . 16068 1 315 . 1 1 38 38 VAL HG22 H 1 -0.290 0.02 . 1 . . . . 72 VAL HG2 . 16068 1 316 . 1 1 38 38 VAL HG23 H 1 -0.290 0.02 . 1 . . . . 72 VAL HG2 . 16068 1 317 . 1 1 38 38 VAL C C 13 174.000 0.10 . 1 . . . . 72 VAL C . 16068 1 318 . 1 1 38 38 VAL CA C 13 61.587 0.10 . 1 . . . . 72 VAL CA . 16068 1 319 . 1 1 38 38 VAL CB C 13 31.381 0.10 . 1 . . . . 72 VAL CB . 16068 1 320 . 1 1 38 38 VAL CG1 C 13 19.900 0.10 . 1 . . . . 72 VAL CG1 . 16068 1 321 . 1 1 38 38 VAL CG2 C 13 20.300 0.10 . 1 . . . . 72 VAL CG2 . 16068 1 322 . 1 1 38 38 VAL N N 15 127.947 0.10 . 1 . . . . 72 VAL N . 16068 1 323 . 1 1 39 39 GLN H H 1 8.971 0.02 . 1 . . . . 73 GLN H . 16068 1 324 . 1 1 39 39 GLN HA H 1 5.019 0.02 . 1 . . . . 73 GLN HA . 16068 1 325 . 1 1 39 39 GLN HB2 H 1 2.400 0.02 . 1 . . . . 73 GLN HB2 . 16068 1 326 . 1 1 39 39 GLN HB3 H 1 1.960 0.02 . 1 . . . . 73 GLN HB3 . 16068 1 327 . 1 1 39 39 GLN C C 13 173.260 0.10 . 1 . . . . 73 GLN C . 16068 1 328 . 1 1 39 39 GLN CA C 13 51.310 0.10 . 1 . . . . 73 GLN CA . 16068 1 329 . 1 1 39 39 GLN CB C 13 30.955 0.10 . 1 . . . . 73 GLN CB . 16068 1 330 . 1 1 39 39 GLN N N 15 127.985 0.10 . 1 . . . . 73 GLN N . 16068 1 331 . 1 1 40 40 PRO HA H 1 4.707 0.02 . 1 . . . . 74 PRO HA . 16068 1 332 . 1 1 40 40 PRO HD3 H 1 3.990 0.02 . 1 . . . . 74 PRO HD3 . 16068 1 333 . 1 1 40 40 PRO HG2 H 1 2.170 0.02 . 1 . . . . 74 PRO HG2 . 16068 1 334 . 1 1 40 40 PRO HG3 H 1 2.030 0.02 . 1 . . . . 74 PRO HG3 . 16068 1 335 . 1 1 40 40 PRO C C 13 3.820 0.10 . 1 . . . . 74 PRO C . 16068 1 336 . 1 1 40 40 PRO CA C 13 176.828 0.10 . 1 . . . . 74 PRO CA . 16068 1 337 . 1 1 40 40 PRO CB C 13 62.215 0.10 . 1 . . . . 74 PRO CB . 16068 1 338 . 1 1 40 40 PRO CG C 13 32.400 0.10 . 1 . . . . 74 PRO CG . 16068 1 339 . 1 1 40 40 PRO N N 15 50.800 0.10 . 1 . . . . 74 PRO N . 16068 1 340 . 1 1 41 41 ILE H H 1 8.105 0.02 . 1 . . . . 75 ILE H . 16068 1 341 . 1 1 41 41 ILE HA H 1 4.074 0.02 . 1 . . . . 75 ILE HA . 16068 1 342 . 1 1 41 41 ILE HB H 1 1.480 0.02 . 1 . . . . 75 ILE HB . 16068 1 343 . 1 1 41 41 ILE HG12 H 1 0.790 0.02 . 1 . . . . 75 ILE HG12 . 16068 1 344 . 1 1 41 41 ILE C C 13 175.881 0.10 . 1 . . . . 75 ILE C . 16068 1 345 . 1 1 41 41 ILE CA C 13 61.399 0.10 . 1 . . . . 75 ILE CA . 16068 1 346 . 1 1 41 41 ILE CB C 13 38.214 0.10 . 1 . . . . 75 ILE CB . 16068 1 347 . 1 1 41 41 ILE CG1 C 13 17.000 0.10 . 1 . . . . 75 ILE CG1 . 16068 1 348 . 1 1 41 41 ILE N N 15 122.818 0.10 . 1 . . . . 75 ILE N . 16068 1 349 . 1 1 43 43 GLN HA H 1 4.267 0.02 . 1 . . . . 77 GLN HA . 16068 1 350 . 1 1 43 43 GLN C C 13 176.255 0.10 . 1 . . . . 77 GLN C . 16068 1 351 . 1 1 43 43 GLN CA C 13 56.500 0.10 . 1 . . . . 77 GLN CA . 16068 1 352 . 1 1 43 43 GLN CB C 13 29.100 0.10 . 1 . . . . 77 GLN CB . 16068 1 353 . 1 1 44 44 GLU H H 1 8.458 0.02 . 1 . . . . 78 GLU H . 16068 1 354 . 1 1 44 44 GLU HA H 1 4.184 0.02 . 1 . . . . 78 GLU HA . 16068 1 355 . 1 1 44 44 GLU HB2 H 1 1.890 0.02 . 1 . . . . 78 GLU HB2 . 16068 1 356 . 1 1 44 44 GLU HG2 H 1 2.260 0.02 . 1 . . . . 78 GLU HG2 . 16068 1 357 . 1 1 44 44 GLU C C 13 177.000 0.10 . 1 . . . . 78 GLU C . 16068 1 358 . 1 1 44 44 GLU CA C 13 57.400 0.10 . 1 . . . . 78 GLU CA . 16068 1 359 . 1 1 44 44 GLU CB C 13 29.148 0.10 . 1 . . . . 78 GLU CB . 16068 1 360 . 1 1 44 44 GLU CG C 13 35.900 0.10 . 1 . . . . 78 GLU CG . 16068 1 361 . 1 1 44 44 GLU N N 15 120.627 0.10 . 1 . . . . 78 GLU N . 16068 1 362 . 1 1 45 45 GLU H H 1 8.283 0.02 . 1 . . . . 79 GLU H . 16068 1 363 . 1 1 45 45 GLU HA H 1 4.121 0.02 . 1 . . . . 79 GLU HA . 16068 1 364 . 1 1 45 45 GLU HB2 H 1 1.890 0.02 . 1 . . . . 79 GLU HB2 . 16068 1 365 . 1 1 45 45 GLU HG2 H 1 2.180 0.02 . 1 . . . . 79 GLU HG2 . 16068 1 366 . 1 1 45 45 GLU C C 13 176.972 0.10 . 1 . . . . 79 GLU C . 16068 1 367 . 1 1 45 45 GLU CA C 13 57.106 0.10 . 1 . . . . 79 GLU CA . 16068 1 368 . 1 1 45 45 GLU CB C 13 29.680 0.10 . 1 . . . . 79 GLU CB . 16068 1 369 . 1 1 45 45 GLU CG C 13 36.000 0.10 . 1 . . . . 79 GLU CG . 16068 1 370 . 1 1 45 45 GLU N N 15 119.997 0.10 . 1 . . . . 79 GLU N . 16068 1 371 . 1 1 46 46 TYR H H 1 7.961 0.02 . 1 . . . . 80 TYR H . 16068 1 372 . 1 1 46 46 TYR HA H 1 4.369 0.02 . 1 . . . . 80 TYR HA . 16068 1 373 . 1 1 46 46 TYR HB2 H 1 2.940 0.02 . 1 . . . . 80 TYR HB2 . 16068 1 374 . 1 1 46 46 TYR HD1 H 1 6.890 0.02 . 1 . . . . 80 TYR HD1 . 16068 1 375 . 1 1 46 46 TYR C C 13 176.086 0.10 . 1 . . . . 80 TYR C . 16068 1 376 . 1 1 46 46 TYR CA C 13 58.284 0.10 . 1 . . . . 80 TYR CA . 16068 1 377 . 1 1 46 46 TYR CB C 13 38.214 0.10 . 1 . . . . 80 TYR CB . 16068 1 378 . 1 1 46 46 TYR N N 15 119.582 0.10 . 1 . . . . 80 TYR N . 16068 1 379 . 1 1 47 47 TYR H H 1 7.918 0.02 . 1 . . . . 81 TYR H . 16068 1 380 . 1 1 47 47 TYR HA H 1 4.399 0.02 . 1 . . . . 81 TYR HA . 16068 1 381 . 1 1 47 47 TYR HB2 H 1 3.040 0.02 . 1 . . . . 81 TYR HB2 . 16068 1 382 . 1 1 47 47 TYR HB3 H 1 2.970 0.02 . 1 . . . . 81 TYR HB3 . 16068 1 383 . 1 1 47 47 TYR HD1 H 1 7.110 0.02 . 1 . . . . 81 TYR HD1 . 16068 1 384 . 1 1 47 47 TYR C C 13 176.566 0.10 . 1 . . . . 81 TYR C . 16068 1 385 . 1 1 47 47 TYR CA C 13 58.479 0.10 . 1 . . . . 81 TYR CA . 16068 1 386 . 1 1 47 47 TYR CB C 13 38.042 0.10 . 1 . . . . 81 TYR CB . 16068 1 387 . 1 1 47 47 TYR N N 15 119.336 0.10 . 1 . . . . 81 TYR N . 16068 1 388 . 1 1 48 48 LYS HA H 1 4.090 0.02 . 1 . . . . 82 LYS HA . 16068 1 389 . 1 1 48 48 LYS C C 13 176.894 0.10 . 1 . . . . 82 LYS C . 16068 1 390 . 1 1 48 48 LYS CA C 13 56.786 0.10 . 1 . . . . 82 LYS CA . 16068 1 391 . 1 1 48 48 LYS CB C 13 32.306 0.10 . 1 . . . . 82 LYS CB . 16068 1 392 . 1 1 49 49 ALA H H 1 7.999 0.02 . 1 . . . . 83 ALA H . 16068 1 393 . 1 1 49 49 ALA HA H 1 4.178 0.02 . 1 . . . . 83 ALA HA . 16068 1 394 . 1 1 49 49 ALA HB1 H 1 1.400 0.02 . 1 . . . . 83 ALA HB . 16068 1 395 . 1 1 49 49 ALA HB2 H 1 1.400 0.02 . 1 . . . . 83 ALA HB . 16068 1 396 . 1 1 49 49 ALA HB3 H 1 1.400 0.02 . 1 . . . . 83 ALA HB . 16068 1 397 . 1 1 49 49 ALA C C 13 178.193 0.10 . 1 . . . . 83 ALA C . 16068 1 398 . 1 1 49 49 ALA CA C 13 52.825 0.10 . 1 . . . . 83 ALA CA . 16068 1 399 . 1 1 49 49 ALA CB C 13 18.200 0.10 . 1 . . . . 83 ALA CB . 16068 1 400 . 1 1 49 49 ALA N N 15 122.394 0.10 . 1 . . . . 83 ALA N . 16068 1 401 . 1 1 50 50 GLN H H 1 8.006 0.02 . 1 . . . . 84 GLN H . 16068 1 402 . 1 1 50 50 GLN HA H 1 4.167 0.02 . 1 . . . . 84 GLN HA . 16068 1 403 . 1 1 50 50 GLN HB2 H 1 2.120 0.02 . 1 . . . . 84 GLN HB2 . 16068 1 404 . 1 1 50 50 GLN HB3 H 1 2.000 0.02 . 1 . . . . 84 GLN HB3 . 16068 1 405 . 1 1 50 50 GLN HG2 H 1 2.320 0.02 . 1 . . . . 84 GLN HG2 . 16068 1 406 . 1 1 50 50 GLN C C 13 176.200 0.10 . 1 . . . . 84 GLN C . 16068 1 407 . 1 1 50 50 GLN CA C 13 56.016 0.10 . 1 . . . . 84 GLN CA . 16068 1 408 . 1 1 50 50 GLN CB C 13 28.467 0.10 . 1 . . . . 84 GLN CB . 16068 1 409 . 1 1 50 50 GLN CG C 13 33.300 0.10 . 1 . . . . 84 GLN CG . 16068 1 410 . 1 1 50 50 GLN N N 15 116.623 0.10 . 1 . . . . 84 GLN N . 16068 1 411 . 1 1 51 51 GLN H H 1 8.085 0.02 . 1 . . . . 85 GLN H . 16068 1 412 . 1 1 51 51 GLN HA H 1 4.223 0.02 . 1 . . . . 85 GLN HA . 16068 1 413 . 1 1 51 51 GLN HB2 H 1 2.120 0.02 . 1 . . . . 85 GLN HB2 . 16068 1 414 . 1 1 51 51 GLN HB3 H 1 2.000 0.02 . 1 . . . . 85 GLN HB3 . 16068 1 415 . 1 1 51 51 GLN HG2 H 1 2.290 0.02 . 1 . . . . 85 GLN HG2 . 16068 1 416 . 1 1 51 51 GLN CA C 13 56.393 0.10 . 1 . . . . 85 GLN CA . 16068 1 417 . 1 1 51 51 GLN CB C 13 28.600 0.10 . 1 . . . . 85 GLN CB . 16068 1 418 . 1 1 51 51 GLN CG C 13 33.600 0.10 . 1 . . . . 85 GLN CG . 16068 1 419 . 1 1 51 51 GLN N N 15 118.681 0.10 . 1 . . . . 85 GLN N . 16068 1 420 . 1 1 53 53 GLN HA H 1 4.268 0.02 . 1 . . . . 87 GLN HA . 16068 1 421 . 1 1 53 53 GLN C C 13 175.517 0.10 . 1 . . . . 87 GLN C . 16068 1 422 . 1 1 53 53 GLN CA C 13 55.821 0.10 . 1 . . . . 87 GLN CA . 16068 1 423 . 1 1 53 53 GLN CB C 13 28.296 0.10 . 1 . . . . 87 GLN CB . 16068 1 424 . 1 1 54 54 THR H H 1 7.950 0.02 . 1 . . . . 88 THR H . 16068 1 425 . 1 1 54 54 THR HA H 1 4.540 0.02 . 1 . . . . 88 THR HA . 16068 1 426 . 1 1 54 54 THR HB H 1 4.090 0.02 . 1 . . . . 88 THR HB . 16068 1 427 . 1 1 54 54 THR HG21 H 1 1.160 0.02 . 1 . . . . 88 THR HG1 . 16068 1 428 . 1 1 54 54 THR HG22 H 1 1.160 0.02 . 1 . . . . 88 THR HG1 . 16068 1 429 . 1 1 54 54 THR HG23 H 1 1.160 0.02 . 1 . . . . 88 THR HG1 . 16068 1 430 . 1 1 54 54 THR C C 13 172.445 0.10 . 1 . . . . 88 THR C . 16068 1 431 . 1 1 54 54 THR CA C 13 59.184 0.10 . 1 . . . . 88 THR CA . 16068 1 432 . 1 1 54 54 THR CB C 13 69.534 0.10 . 1 . . . . 88 THR CB . 16068 1 433 . 1 1 54 54 THR CG2 C 13 20.500 0.10 . 1 . . . . 88 THR CG2 . 16068 1 434 . 1 1 54 54 THR N N 15 116.337 0.10 . 1 . . . . 88 THR N . 16068 1 435 . 1 1 55 55 PRO HA H 1 4.410 0.02 . 1 . . . . 89 PRO HA . 16068 1 436 . 1 1 55 55 PRO HB2 H 1 1.810 0.02 . 1 . . . . 89 PRO HB2 . 16068 1 437 . 1 1 55 55 PRO HD3 H 1 3.760 0.02 . 1 . . . . 89 PRO HD3 . 16068 1 438 . 1 1 55 55 PRO HG2 H 1 1.970 0.02 . 1 . . . . 89 PRO HG2 . 16068 1 439 . 1 1 55 55 PRO C C 13 3.600 0.10 . 1 . . . . 89 PRO C . 16068 1 440 . 1 1 55 55 PRO CA C 13 176.508 0.10 . 1 . . . . 89 PRO CA . 16068 1 441 . 1 1 55 55 PRO CB C 13 62.325 0.10 . 1 . . . . 89 PRO CB . 16068 1 442 . 1 1 55 55 PRO CD C 13 26.900 0.10 . 1 . . . . 89 PRO CD . 16068 1 443 . 1 1 55 55 PRO CG C 13 31.672 0.10 . 1 . . . . 89 PRO CG . 16068 1 444 . 1 1 55 55 PRO N N 15 50.400 0.10 . 1 . . . . 89 PRO N . 16068 1 445 . 1 1 56 56 ILE H H 1 8.247 0.02 . 1 . . . . 90 ILE H . 16068 1 446 . 1 1 56 56 ILE HA H 1 3.993 0.02 . 1 . . . . 90 ILE HA . 16068 1 447 . 1 1 56 56 ILE HB H 1 1.690 0.02 . 1 . . . . 90 ILE HB . 16068 1 448 . 1 1 56 56 ILE HG21 H 1 0.640 0.02 . 1 . . . . 90 ILE HG2 . 16068 1 449 . 1 1 56 56 ILE HG22 H 1 0.640 0.02 . 1 . . . . 90 ILE HG2 . 16068 1 450 . 1 1 56 56 ILE HG23 H 1 0.640 0.02 . 1 . . . . 90 ILE HG2 . 16068 1 451 . 1 1 56 56 ILE C C 13 175.132 0.10 . 1 . . . . 90 ILE C . 16068 1 452 . 1 1 56 56 ILE CA C 13 60.718 0.10 . 1 . . . . 90 ILE CA . 16068 1 453 . 1 1 56 56 ILE CB C 13 38.277 0.10 . 1 . . . . 90 ILE CB . 16068 1 454 . 1 1 56 56 ILE CG2 C 13 17.100 0.10 . 1 . . . . 90 ILE CG2 . 16068 1 455 . 1 1 56 56 ILE N N 15 121.921 0.10 . 1 . . . . 90 ILE N . 16068 1 456 . 1 1 57 57 GLY H H 1 7.820 0.02 . 1 . . . . 91 GLY H . 16068 1 457 . 1 1 57 57 GLY HA2 H 1 4.550 0.02 . 1 . . . . 91 GLY HA2 . 16068 1 458 . 1 1 57 57 GLY HA3 H 1 3.640 0.02 . 1 . . . . 91 GLY HA3 . 16068 1 459 . 1 1 57 57 GLY C C 13 172.184 0.10 . 1 . . . . 91 GLY C . 16068 1 460 . 1 1 57 57 GLY CA C 13 43.575 0.10 . 1 . . . . 91 GLY CA . 16068 1 461 . 1 1 57 57 GLY N N 15 110.987 0.10 . 1 . . . . 91 GLY N . 16068 1 462 . 1 1 58 58 TYR H H 1 8.593 0.02 . 1 . . . . 92 TYR H . 16068 1 463 . 1 1 58 58 TYR HA H 1 5.166 0.02 . 1 . . . . 92 TYR HA . 16068 1 464 . 1 1 58 58 TYR HB2 H 1 2.540 0.02 . 1 . . . . 92 TYR HB2 . 16068 1 465 . 1 1 58 58 TYR HB3 H 1 1.900 0.02 . 1 . . . . 92 TYR HB3 . 16068 1 466 . 1 1 58 58 TYR HD1 H 1 6.450 0.02 . 1 . . . . 92 TYR HD1 . 16068 1 467 . 1 1 58 58 TYR HE1 H 1 6.660 0.02 . 1 . . . . 92 TYR HE1 . 16068 1 468 . 1 1 58 58 TYR C C 13 175.122 0.10 . 1 . . . . 92 TYR C . 16068 1 469 . 1 1 58 58 TYR CA C 13 56.544 0.10 . 1 . . . . 92 TYR CA . 16068 1 470 . 1 1 58 58 TYR CB C 13 43.819 0.10 . 1 . . . . 92 TYR CB . 16068 1 471 . 1 1 58 58 TYR CD1 C 13 132.400 0.10 . 1 . . . . 92 TYR CD1 . 16068 1 472 . 1 1 58 58 TYR CE1 C 13 117.600 0.10 . 1 . . . . 92 TYR CE1 . 16068 1 473 . 1 1 58 58 TYR N N 15 116.307 0.10 . 1 . . . . 92 TYR N . 16068 1 474 . 1 1 59 59 ASN H H 1 8.964 0.02 . 1 . . . . 93 ASN H . 16068 1 475 . 1 1 59 59 ASN HA H 1 5.116 0.02 . 1 . . . . 93 ASN HA . 16068 1 476 . 1 1 59 59 ASN HB2 H 1 2.760 0.02 . 1 . . . . 93 ASN HB2 . 16068 1 477 . 1 1 59 59 ASN HB3 H 1 2.060 0.02 . 1 . . . . 93 ASN HB3 . 16068 1 478 . 1 1 59 59 ASN C C 13 173.457 0.10 . 1 . . . . 93 ASN C . 16068 1 479 . 1 1 59 59 ASN CA C 13 52.717 0.10 . 1 . . . . 93 ASN CA . 16068 1 480 . 1 1 59 59 ASN CB C 13 40.420 0.10 . 1 . . . . 93 ASN CB . 16068 1 481 . 1 1 59 59 ASN N N 15 119.232 0.10 . 1 . . . . 93 ASN N . 16068 1 482 . 1 1 60 60 ILE H H 1 9.013 0.02 . 1 . . . . 94 ILE H . 16068 1 483 . 1 1 60 60 ILE HA H 1 4.383 0.02 . 1 . . . . 94 ILE HA . 16068 1 484 . 1 1 60 60 ILE C C 13 173.370 0.10 . 1 . . . . 94 ILE C . 16068 1 485 . 1 1 60 60 ILE CA C 13 60.231 0.10 . 1 . . . . 94 ILE CA . 16068 1 486 . 1 1 60 60 ILE CB C 13 38.728 0.10 . 1 . . . . 94 ILE CB . 16068 1 487 . 1 1 60 60 ILE N N 15 123.021 0.10 . 1 . . . . 94 ILE N . 16068 1 488 . 1 1 61 61 TYR H H 1 8.867 0.02 . 1 . . . . 95 TYR H . 16068 1 489 . 1 1 61 61 TYR HA H 1 5.279 0.02 . 1 . . . . 95 TYR HA . 16068 1 490 . 1 1 61 61 TYR HB2 H 1 2.880 0.02 . 1 . . . . 95 TYR HB2 . 16068 1 491 . 1 1 61 61 TYR HB3 H 1 2.670 0.02 . 1 . . . . 95 TYR HB3 . 16068 1 492 . 1 1 61 61 TYR HD1 H 1 6.980 0.02 . 1 . . . . 95 TYR HD1 . 16068 1 493 . 1 1 61 61 TYR HE1 H 1 6.690 0.02 . 1 . . . . 95 TYR HE1 . 16068 1 494 . 1 1 61 61 TYR C C 13 174.262 0.10 . 1 . . . . 95 TYR C . 16068 1 495 . 1 1 61 61 TYR CA C 13 55.732 0.10 . 1 . . . . 95 TYR CA . 16068 1 496 . 1 1 61 61 TYR CB C 13 39.723 0.10 . 1 . . . . 95 TYR CB . 16068 1 497 . 1 1 61 61 TYR CD1 C 13 133.000 0.10 . 1 . . . . 95 TYR CD1 . 16068 1 498 . 1 1 61 61 TYR CE1 C 13 117.400 0.10 . 1 . . . . 95 TYR CE1 . 16068 1 499 . 1 1 61 61 TYR N N 15 125.343 0.10 . 1 . . . . 95 TYR N . 16068 1 500 . 1 1 62 62 THR H H 1 8.998 0.02 . 1 . . . . 96 THR H . 16068 1 501 . 1 1 62 62 THR HA H 1 4.889 0.02 . 1 . . . . 96 THR HA . 16068 1 502 . 1 1 62 62 THR HB H 1 3.830 0.02 . 1 . . . . 96 THR HB . 16068 1 503 . 1 1 62 62 THR HG21 H 1 1.060 0.02 . 1 . . . . 96 THR HG1 . 16068 1 504 . 1 1 62 62 THR HG22 H 1 1.060 0.02 . 1 . . . . 96 THR HG1 . 16068 1 505 . 1 1 62 62 THR HG23 H 1 1.060 0.02 . 1 . . . . 96 THR HG1 . 16068 1 506 . 1 1 62 62 THR C C 13 172.708 0.10 . 1 . . . . 96 THR C . 16068 1 507 . 1 1 62 62 THR CA C 13 58.248 0.10 . 1 . . . . 96 THR CA . 16068 1 508 . 1 1 62 62 THR CB C 13 73.097 0.10 . 1 . . . . 96 THR CB . 16068 1 509 . 1 1 62 62 THR CG2 C 13 17.600 0.10 . 1 . . . . 96 THR CG2 . 16068 1 510 . 1 1 62 62 THR N N 15 119.223 0.10 . 1 . . . . 96 THR N . 16068 1 511 . 1 1 63 63 PRO HA H 1 4.410 0.02 . 1 . . . . 97 PRO HA . 16068 1 512 . 1 1 63 63 PRO HD3 H 1 3.780 0.02 . 1 . . . . 97 PRO HD3 . 16068 1 513 . 1 1 63 63 PRO C C 13 3.190 0.10 . 1 . . . . 97 PRO C . 16068 1 514 . 1 1 63 63 PRO CA C 13 175.250 0.10 . 1 . . . . 97 PRO CA . 16068 1 515 . 1 1 63 63 PRO CB C 13 63.642 0.10 . 1 . . . . 97 PRO CB . 16068 1 516 . 1 1 63 63 PRO CG C 13 31.126 0.10 . 1 . . . . 97 PRO CG . 16068 1 517 . 1 1 63 63 PRO N N 15 51.700 0.10 . 1 . . . . 97 PRO N . 16068 1 518 . 1 1 64 64 TYR H H 1 7.826 0.02 . 1 . . . . 98 TYR H . 16068 1 519 . 1 1 64 64 TYR HA H 1 4.265 0.02 . 1 . . . . 98 TYR HA . 16068 1 520 . 1 1 64 64 TYR HB2 H 1 2.440 0.02 . 1 . . . . 98 TYR HB2 . 16068 1 521 . 1 1 64 64 TYR HB3 H 1 2.350 0.02 . 1 . . . . 98 TYR HB3 . 16068 1 522 . 1 1 64 64 TYR HD1 H 1 6.840 0.02 . 1 . . . . 98 TYR HD1 . 16068 1 523 . 1 1 64 64 TYR HE1 H 1 6.740 0.02 . 1 . . . . 98 TYR HE1 . 16068 1 524 . 1 1 64 64 TYR C C 13 175.150 0.10 . 1 . . . . 98 TYR C . 16068 1 525 . 1 1 64 64 TYR CA C 13 59.434 0.10 . 1 . . . . 98 TYR CA . 16068 1 526 . 1 1 64 64 TYR CB C 13 37.240 0.10 . 1 . . . . 98 TYR CB . 16068 1 527 . 1 1 64 64 TYR CD1 C 13 132.900 0.10 . 1 . . . . 98 TYR CD1 . 16068 1 528 . 1 1 64 64 TYR N N 15 122.118 0.10 . 1 . . . . 98 TYR N . 16068 1 529 . 1 1 65 65 ASP H H 1 5.931 0.02 . 1 . . . . 99 ASP H . 16068 1 530 . 1 1 65 65 ASP HA H 1 4.255 0.02 . 1 . . . . 99 ASP HA . 16068 1 531 . 1 1 65 65 ASP HB2 H 1 2.310 0.02 . 1 . . . . 99 ASP HB2 . 16068 1 532 . 1 1 65 65 ASP HB3 H 1 2.150 0.02 . 1 . . . . 99 ASP HB3 . 16068 1 533 . 1 1 65 65 ASP C C 13 176.079 0.10 . 1 . . . . 99 ASP C . 16068 1 534 . 1 1 65 65 ASP CA C 13 52.885 0.10 . 1 . . . . 99 ASP CA . 16068 1 535 . 1 1 65 65 ASP CB C 13 43.486 0.10 . 1 . . . . 99 ASP CB . 16068 1 536 . 1 1 65 65 ASP N N 15 125.409 0.10 . 1 . . . . 99 ASP N . 16068 1 537 . 1 1 66 66 ASP H H 1 8.703 0.02 . 1 . . . . 100 ASP H . 16068 1 538 . 1 1 66 66 ASP HA H 1 4.058 0.02 . 1 . . . . 100 ASP HA . 16068 1 539 . 1 1 66 66 ASP HB2 H 1 2.760 0.02 . 1 . . . . 100 ASP HB2 . 16068 1 540 . 1 1 66 66 ASP HB3 H 1 2.620 0.02 . 1 . . . . 100 ASP HB3 . 16068 1 541 . 1 1 66 66 ASP C C 13 176.300 0.10 . 1 . . . . 100 ASP C . 16068 1 542 . 1 1 66 66 ASP CA C 13 55.332 0.10 . 1 . . . . 100 ASP CA . 16068 1 543 . 1 1 66 66 ASP CB C 13 40.206 0.10 . 1 . . . . 100 ASP CB . 16068 1 544 . 1 1 66 66 ASP N N 15 128.295 0.10 . 1 . . . . 100 ASP N . 16068 1 545 . 1 1 67 67 ARG H H 1 8.832 0.02 . 1 . . . . 101 ARG H . 16068 1 546 . 1 1 67 67 ARG HA H 1 3.944 0.02 . 1 . . . . 101 ARG HA . 16068 1 547 . 1 1 67 67 ARG HB2 H 1 1.340 0.02 . 1 . . . . 101 ARG HB2 . 16068 1 548 . 1 1 67 67 ARG C C 13 177.624 0.10 . 1 . . . . 101 ARG C . 16068 1 549 . 1 1 67 67 ARG CA C 13 56.509 0.10 . 1 . . . . 101 ARG CA . 16068 1 550 . 1 1 67 67 ARG CB C 13 31.162 0.10 . 1 . . . . 101 ARG CB . 16068 1 551 . 1 1 67 67 ARG N N 15 117.507 0.10 . 1 . . . . 101 ARG N . 16068 1 552 . 1 1 68 68 ILE H H 1 7.004 0.02 . 1 . . . . 102 ILE H . 16068 1 553 . 1 1 68 68 ILE HA H 1 3.507 0.02 . 1 . . . . 102 ILE HA . 16068 1 554 . 1 1 68 68 ILE HB H 1 1.650 0.02 . 1 . . . . 102 ILE HB . 16068 1 555 . 1 1 68 68 ILE HG21 H 1 0.710 0.02 . 1 . . . . 102 ILE HG2 . 16068 1 556 . 1 1 68 68 ILE HG22 H 1 0.710 0.02 . 1 . . . . 102 ILE HG2 . 16068 1 557 . 1 1 68 68 ILE HG23 H 1 0.710 0.02 . 1 . . . . 102 ILE HG2 . 16068 1 558 . 1 1 68 68 ILE C C 13 174.835 0.10 . 1 . . . . 102 ILE C . 16068 1 559 . 1 1 68 68 ILE CA C 13 63.638 0.10 . 1 . . . . 102 ILE CA . 16068 1 560 . 1 1 68 68 ILE CB C 13 36.617 0.10 . 1 . . . . 102 ILE CB . 16068 1 561 . 1 1 68 68 ILE CG2 C 13 16.500 0.10 . 1 . . . . 102 ILE CG2 . 16068 1 562 . 1 1 68 68 ILE N N 15 116.003 0.10 . 1 . . . . 102 ILE N . 16068 1 563 . 1 1 69 69 ASP H H 1 8.026 0.02 . 1 . . . . 103 ASP H . 16068 1 564 . 1 1 69 69 ASP HA H 1 4.954 0.02 . 1 . . . . 103 ASP HA . 16068 1 565 . 1 1 69 69 ASP HB2 H 1 2.770 0.02 . 1 . . . . 103 ASP HB2 . 16068 1 566 . 1 1 69 69 ASP HB3 H 1 2.580 0.02 . 1 . . . . 103 ASP HB3 . 16068 1 567 . 1 1 69 69 ASP C C 13 175.574 0.10 . 1 . . . . 103 ASP C . 16068 1 568 . 1 1 69 69 ASP CA C 13 52.485 0.10 . 1 . . . . 103 ASP CA . 16068 1 569 . 1 1 69 69 ASP CB C 13 45.984 0.10 . 1 . . . . 103 ASP CB . 16068 1 570 . 1 1 69 69 ASP N N 15 129.672 0.10 . 1 . . . . 103 ASP N . 16068 1 571 . 1 1 70 70 LYS H H 1 8.505 0.02 . 1 . . . . 104 LYS H . 16068 1 572 . 1 1 70 70 LYS C C 13 175.300 0.10 . 1 . . . . 104 LYS C . 16068 1 573 . 1 1 70 70 LYS CA C 13 58.027 0.10 . 1 . . . . 104 LYS CA . 16068 1 574 . 1 1 70 70 LYS CB C 13 31.376 0.10 . 1 . . . . 104 LYS CB . 16068 1 575 . 1 1 70 70 LYS N N 15 119.646 0.10 . 1 . . . . 104 LYS N . 16068 1 576 . 1 1 71 71 LYS H H 1 8.653 0.02 . 1 . . . . 105 LYS H . 16068 1 577 . 1 1 71 71 LYS HA H 1 4.513 0.02 . 1 . . . . 105 LYS HA . 16068 1 578 . 1 1 71 71 LYS HB2 H 1 2.110 0.02 . 1 . . . . 105 LYS HB2 . 16068 1 579 . 1 1 71 71 LYS HB3 H 1 1.900 0.02 . 1 . . . . 105 LYS HB3 . 16068 1 580 . 1 1 71 71 LYS HG2 H 1 1.690 0.02 . 1 . . . . 105 LYS HG2 . 16068 1 581 . 1 1 71 71 LYS C C 13 178.190 0.10 . 1 . . . . 105 LYS C . 16068 1 582 . 1 1 71 71 LYS CA C 13 56.415 0.10 . 1 . . . . 105 LYS CA . 16068 1 583 . 1 1 71 71 LYS CB C 13 30.942 0.10 . 1 . . . . 105 LYS CB . 16068 1 584 . 1 1 71 71 LYS CD C 13 27.000 0.10 . 1 . . . . 105 LYS CD . 16068 1 585 . 1 1 71 71 LYS N N 15 118.554 0.10 . 1 . . . . 105 LYS N . 16068 1 586 . 1 1 72 72 MET H H 1 7.596 0.02 . 1 . . . . 106 MET H . 16068 1 587 . 1 1 72 72 MET HA H 1 5.019 0.02 . 1 . . . . 106 MET HA . 16068 1 588 . 1 1 72 72 MET C C 13 172.309 0.10 . 1 . . . . 106 MET C . 16068 1 589 . 1 1 72 72 MET CA C 13 56.500 0.10 . 1 . . . . 106 MET CA . 16068 1 590 . 1 1 72 72 MET CB C 13 34.892 0.10 . 1 . . . . 106 MET CB . 16068 1 591 . 1 1 72 72 MET N N 15 119.949 0.10 . 1 . . . . 106 MET N . 16068 1 592 . 1 1 73 73 ARG H H 1 8.266 0.02 . 1 . . . . 107 ARG H . 16068 1 593 . 1 1 73 73 ARG HA H 1 4.075 0.02 . 1 . . . . 107 ARG HA . 16068 1 594 . 1 1 73 73 ARG HB2 H 1 0.950 0.02 . 1 . . . . 107 ARG HB2 . 16068 1 595 . 1 1 73 73 ARG C C 13 172.995 0.10 . 1 . . . . 107 ARG C . 16068 1 596 . 1 1 73 73 ARG CA C 13 53.348 0.10 . 1 . . . . 107 ARG CA . 16068 1 597 . 1 1 73 73 ARG CB C 13 31.579 0.10 . 1 . . . . 107 ARG CB . 16068 1 598 . 1 1 73 73 ARG N N 15 112.423 0.10 . 1 . . . . 107 ARG N . 16068 1 599 . 1 1 74 74 VAL H H 1 8.371 0.02 . 1 . . . . 108 VAL H . 16068 1 600 . 1 1 74 74 VAL HA H 1 4.954 0.02 . 1 . . . . 108 VAL HA . 16068 1 601 . 1 1 74 74 VAL HB H 1 1.470 0.02 . 1 . . . . 108 VAL HB . 16068 1 602 . 1 1 74 74 VAL HG11 H 1 0.330 0.02 . 1 . . . . 108 VAL HG1 . 16068 1 603 . 1 1 74 74 VAL HG12 H 1 0.330 0.02 . 1 . . . . 108 VAL HG1 . 16068 1 604 . 1 1 74 74 VAL HG13 H 1 0.330 0.02 . 1 . . . . 108 VAL HG1 . 16068 1 605 . 1 1 74 74 VAL HG21 H 1 0.300 0.02 . 1 . . . . 108 VAL HG2 . 16068 1 606 . 1 1 74 74 VAL HG22 H 1 0.300 0.02 . 1 . . . . 108 VAL HG2 . 16068 1 607 . 1 1 74 74 VAL HG23 H 1 0.300 0.02 . 1 . . . . 108 VAL HG2 . 16068 1 608 . 1 1 74 74 VAL C C 13 173.137 0.10 . 1 . . . . 108 VAL C . 16068 1 609 . 1 1 74 74 VAL CA C 13 58.400 0.10 . 1 . . . . 108 VAL CA . 16068 1 610 . 1 1 74 74 VAL CB C 13 35.700 0.10 . 1 . . . . 108 VAL CB . 16068 1 611 . 1 1 74 74 VAL CG1 C 13 22.300 0.10 . 1 . . . . 108 VAL CG1 . 16068 1 612 . 1 1 74 74 VAL CG2 C 13 21.300 0.10 . 1 . . . . 108 VAL CG2 . 16068 1 613 . 1 1 74 74 VAL N N 15 117.751 0.10 . 1 . . . . 108 VAL N . 16068 1 614 . 1 1 75 75 ILE H H 1 8.644 0.02 . 1 . . . . 109 ILE H . 16068 1 615 . 1 1 75 75 ILE HA H 1 4.772 0.02 . 1 . . . . 109 ILE HA . 16068 1 616 . 1 1 75 75 ILE HB H 1 1.610 0.02 . 1 . . . . 109 ILE HB . 16068 1 617 . 1 1 75 75 ILE HG21 H 1 0.480 0.02 . 1 . . . . 109 ILE HG2 . 16068 1 618 . 1 1 75 75 ILE HG22 H 1 0.480 0.02 . 1 . . . . 109 ILE HG2 . 16068 1 619 . 1 1 75 75 ILE HG23 H 1 0.480 0.02 . 1 . . . . 109 ILE HG2 . 16068 1 620 . 1 1 75 75 ILE C C 13 176.377 0.10 . 1 . . . . 109 ILE C . 16068 1 621 . 1 1 75 75 ILE CA C 13 57.500 0.10 . 1 . . . . 109 ILE CA . 16068 1 622 . 1 1 75 75 ILE CB C 13 35.550 0.10 . 1 . . . . 109 ILE CB . 16068 1 623 . 1 1 75 75 ILE CG2 C 13 16.200 0.10 . 1 . . . . 109 ILE CG2 . 16068 1 624 . 1 1 75 75 ILE N N 15 122.741 0.10 . 1 . . . . 109 ILE N . 16068 1 625 . 1 1 76 76 TYR H H 1 8.928 0.02 . 1 . . . . 110 TYR H . 16068 1 626 . 1 1 76 76 TYR HA H 1 4.873 0.02 . 1 . . . . 110 TYR HA . 16068 1 627 . 1 1 76 76 TYR HB2 H 1 2.480 0.02 . 1 . . . . 110 TYR HB2 . 16068 1 628 . 1 1 76 76 TYR HB3 H 1 2.270 0.02 . 1 . . . . 110 TYR HB3 . 16068 1 629 . 1 1 76 76 TYR HD1 H 1 6.710 0.02 . 1 . . . . 110 TYR HD1 . 16068 1 630 . 1 1 76 76 TYR HE1 H 1 6.580 0.02 . 1 . . . . 110 TYR HE1 . 16068 1 631 . 1 1 76 76 TYR C C 13 173.400 0.10 . 1 . . . . 110 TYR C . 16068 1 632 . 1 1 76 76 TYR CA C 13 54.699 0.10 . 1 . . . . 110 TYR CA . 16068 1 633 . 1 1 76 76 TYR CB C 13 40.392 0.10 . 1 . . . . 110 TYR CB . 16068 1 634 . 1 1 76 76 TYR CD1 C 13 132.700 0.10 . 1 . . . . 110 TYR CD1 . 16068 1 635 . 1 1 76 76 TYR CE1 C 13 117.900 0.10 . 1 . . . . 110 TYR CE1 . 16068 1 636 . 1 1 76 76 TYR N N 15 129.091 0.10 . 1 . . . . 110 TYR N . 16068 1 637 . 1 1 77 77 ARG H H 1 9.206 0.02 . 1 . . . . 111 ARG H . 16068 1 638 . 1 1 77 77 ARG HA H 1 3.537 0.02 . 1 . . . . 111 ARG HA . 16068 1 639 . 1 1 77 77 ARG HB2 H 1 1.560 0.02 . 1 . . . . 111 ARG HB2 . 16068 1 640 . 1 1 77 77 ARG HB3 H 1 1.010 0.02 . 1 . . . . 111 ARG HB3 . 16068 1 641 . 1 1 77 77 ARG HD2 H 1 2.860 0.02 . 1 . . . . 111 ARG HD2 . 16068 1 642 . 1 1 77 77 ARG HD3 H 1 2.770 0.02 . 1 . . . . 111 ARG HD3 . 16068 1 643 . 1 1 77 77 ARG C C 13 176.065 0.10 . 1 . . . . 111 ARG C . 16068 1 644 . 1 1 77 77 ARG CA C 13 56.490 0.10 . 1 . . . . 111 ARG CA . 16068 1 645 . 1 1 77 77 ARG CB C 13 27.448 0.10 . 1 . . . . 111 ARG CB . 16068 1 646 . 1 1 77 77 ARG N N 15 126.774 0.10 . 1 . . . . 111 ARG N . 16068 1 647 . 1 1 78 78 GLY H H 1 8.155 0.02 . 1 . . . . 112 GLY H . 16068 1 648 . 1 1 78 78 GLY HA2 H 1 4.040 0.02 . 1 . . . . 112 GLY HA2 . 16068 1 649 . 1 1 78 78 GLY HA3 H 1 3.540 0.02 . 1 . . . . 112 GLY HA3 . 16068 1 650 . 1 1 78 78 GLY C C 13 173.810 0.10 . 1 . . . . 112 GLY C . 16068 1 651 . 1 1 78 78 GLY CA C 13 45.284 0.10 . 1 . . . . 112 GLY CA . 16068 1 652 . 1 1 78 78 GLY N N 15 102.172 0.10 . 1 . . . . 112 GLY N . 16068 1 653 . 1 1 79 79 LYS HA H 1 3.910 0.02 . 1 . . . . 113 LYS HA . 16068 1 654 . 1 1 79 79 LYS C C 13 174.750 0.10 . 1 . . . . 113 LYS C . 16068 1 655 . 1 1 79 79 LYS CA C 13 53.808 0.10 . 1 . . . . 113 LYS CA . 16068 1 656 . 1 1 79 79 LYS CB C 13 33.298 0.10 . 1 . . . . 113 LYS CB . 16068 1 657 . 1 1 80 80 ILE H H 1 8.484 0.02 . 1 . . . . 114 ILE H . 16068 1 658 . 1 1 80 80 ILE HA H 1 3.860 0.02 . 1 . . . . 114 ILE HA . 16068 1 659 . 1 1 80 80 ILE HB H 1 1.350 0.02 . 1 . . . . 114 ILE HB . 16068 1 660 . 1 1 80 80 ILE HG21 H 1 0.460 0.02 . 1 . . . . 114 ILE HG2 . 16068 1 661 . 1 1 80 80 ILE HG22 H 1 0.460 0.02 . 1 . . . . 114 ILE HG2 . 16068 1 662 . 1 1 80 80 ILE HG23 H 1 0.460 0.02 . 1 . . . . 114 ILE HG2 . 16068 1 663 . 1 1 80 80 ILE C C 13 174.732 0.10 . 1 . . . . 114 ILE C . 16068 1 664 . 1 1 80 80 ILE CA C 13 61.130 0.10 . 1 . . . . 114 ILE CA . 16068 1 665 . 1 1 80 80 ILE CB C 13 37.740 0.10 . 1 . . . . 114 ILE CB . 16068 1 666 . 1 1 80 80 ILE CG2 C 13 17.600 0.10 . 1 . . . . 114 ILE CG2 . 16068 1 667 . 1 1 80 80 ILE N N 15 121.186 0.10 . 1 . . . . 114 ILE N . 16068 1 668 . 1 1 81 81 VAL H H 1 9.395 0.02 . 1 . . . . 115 VAL H . 16068 1 669 . 1 1 81 81 VAL HA H 1 4.645 0.02 . 1 . . . . 115 VAL HA . 16068 1 670 . 1 1 81 81 VAL HB H 1 1.760 0.02 . 1 . . . . 115 VAL HB . 16068 1 671 . 1 1 81 81 VAL HG11 H 1 0.580 0.02 . 1 . . . . 115 VAL HG1 . 16068 1 672 . 1 1 81 81 VAL HG12 H 1 0.580 0.02 . 1 . . . . 115 VAL HG1 . 16068 1 673 . 1 1 81 81 VAL HG13 H 1 0.580 0.02 . 1 . . . . 115 VAL HG1 . 16068 1 674 . 1 1 81 81 VAL C C 13 174.934 0.10 . 1 . . . . 115 VAL C . 16068 1 675 . 1 1 81 81 VAL CA C 13 60.401 0.10 . 1 . . . . 115 VAL CA . 16068 1 676 . 1 1 81 81 VAL CB C 13 32.142 0.10 . 1 . . . . 115 VAL CB . 16068 1 677 . 1 1 81 81 VAL CG1 C 13 20.700 0.10 . 1 . . . . 115 VAL CG1 . 16068 1 678 . 1 1 81 81 VAL N N 15 129.212 0.10 . 1 . . . . 115 VAL N . 16068 1 679 . 1 1 82 82 THR H H 1 8.661 0.02 . 1 . . . . 116 THR H . 16068 1 680 . 1 1 82 82 THR HA H 1 4.483 0.02 . 1 . . . . 116 THR HA . 16068 1 681 . 1 1 82 82 THR HB H 1 4.020 0.02 . 1 . . . . 116 THR HB . 16068 1 682 . 1 1 82 82 THR HG21 H 1 1.090 0.02 . 1 . . . . 116 THR HG1 . 16068 1 683 . 1 1 82 82 THR HG22 H 1 1.090 0.02 . 1 . . . . 116 THR HG1 . 16068 1 684 . 1 1 82 82 THR HG23 H 1 1.090 0.02 . 1 . . . . 116 THR HG1 . 16068 1 685 . 1 1 82 82 THR C C 13 175.000 0.10 . 1 . . . . 116 THR C . 16068 1 686 . 1 1 82 82 THR CA C 13 59.911 0.10 . 1 . . . . 116 THR CA . 16068 1 687 . 1 1 82 82 THR CB C 13 69.844 0.10 . 1 . . . . 116 THR CB . 16068 1 688 . 1 1 82 82 THR CG2 C 13 21.800 0.10 . 1 . . . . 116 THR CG2 . 16068 1 689 . 1 1 82 82 THR N N 15 120.129 0.10 . 1 . . . . 116 THR N . 16068 1 690 . 1 1 83 83 PHE H H 1 9.153 0.02 . 1 . . . . 117 PHE H . 16068 1 691 . 1 1 83 83 PHE HA H 1 5.003 0.02 . 1 . . . . 117 PHE HA . 16068 1 692 . 1 1 83 83 PHE HB2 H 1 3.350 0.02 . 1 . . . . 117 PHE HB2 . 16068 1 693 . 1 1 83 83 PHE C C 13 177.126 0.10 . 1 . . . . 117 PHE C . 16068 1 694 . 1 1 83 83 PHE CA C 13 55.003 0.10 . 1 . . . . 117 PHE CA . 16068 1 695 . 1 1 83 83 PHE CB C 13 37.018 0.10 . 1 . . . . 117 PHE CB . 16068 1 696 . 1 1 83 83 PHE N N 15 123.251 0.10 . 1 . . . . 117 PHE N . 16068 1 697 . 1 1 84 84 ILE H H 1 8.882 0.02 . 1 . . . . 118 ILE H . 16068 1 698 . 1 1 84 84 ILE HA H 1 4.320 0.02 . 1 . . . . 118 ILE HA . 16068 1 699 . 1 1 84 84 ILE HB H 1 1.690 0.02 . 1 . . . . 118 ILE HB . 16068 1 700 . 1 1 84 84 ILE HD11 H 1 0.710 0.02 . 1 . . . . 118 ILE HD1 . 16068 1 701 . 1 1 84 84 ILE HD12 H 1 0.710 0.02 . 1 . . . . 118 ILE HD1 . 16068 1 702 . 1 1 84 84 ILE HD13 H 1 0.710 0.02 . 1 . . . . 118 ILE HD1 . 16068 1 703 . 1 1 84 84 ILE HG12 H 1 1.310 0.02 . 1 . . . . 118 ILE HG12 . 16068 1 704 . 1 1 84 84 ILE HG21 H 1 0.830 0.02 . 1 . . . . 118 ILE HG2 . 16068 1 705 . 1 1 84 84 ILE HG22 H 1 0.830 0.02 . 1 . . . . 118 ILE HG2 . 16068 1 706 . 1 1 84 84 ILE HG23 H 1 0.830 0.02 . 1 . . . . 118 ILE HG2 . 16068 1 707 . 1 1 84 84 ILE C C 13 175.958 0.10 . 1 . . . . 118 ILE C . 16068 1 708 . 1 1 84 84 ILE CA C 13 60.275 0.10 . 1 . . . . 118 ILE CA . 16068 1 709 . 1 1 84 84 ILE CB C 13 37.057 0.10 . 1 . . . . 118 ILE CB . 16068 1 710 . 1 1 84 84 ILE CD1 C 13 12.900 0.10 . 1 . . . . 118 ILE CD1 . 16068 1 711 . 1 1 84 84 ILE CG2 C 13 16.900 0.10 . 1 . . . . 118 ILE CG2 . 16068 1 712 . 1 1 84 84 ILE N N 15 122.450 0.10 . 1 . . . . 118 ILE N . 16068 1 713 . 1 1 85 85 GLY H H 1 8.198 0.02 . 1 . . . . 119 GLY H . 16068 1 714 . 1 1 85 85 GLY HA2 H 1 4.050 0.02 . 1 . . . . 119 GLY HA2 . 16068 1 715 . 1 1 85 85 GLY HA3 H 1 3.900 0.02 . 1 . . . . 119 GLY HA3 . 16068 1 716 . 1 1 85 85 GLY C C 13 172.376 0.10 . 1 . . . . 119 GLY C . 16068 1 717 . 1 1 85 85 GLY CA C 13 44.033 0.10 . 1 . . . . 119 GLY CA . 16068 1 718 . 1 1 85 85 GLY N N 15 112.995 0.10 . 1 . . . . 119 GLY N . 16068 1 719 . 1 1 86 86 ASP H H 1 8.132 0.02 . 1 . . . . 120 ASP H . 16068 1 720 . 1 1 86 86 ASP HA H 1 4.938 0.02 . 1 . . . . 120 ASP HA . 16068 1 721 . 1 1 86 86 ASP HB2 H 1 2.690 0.02 . 1 . . . . 120 ASP HB2 . 16068 1 722 . 1 1 86 86 ASP HB3 H 1 2.400 0.02 . 1 . . . . 120 ASP HB3 . 16068 1 723 . 1 1 86 86 ASP C C 13 175.418 0.10 . 1 . . . . 120 ASP C . 16068 1 724 . 1 1 86 86 ASP CA C 13 52.656 0.10 . 1 . . . . 120 ASP CA . 16068 1 725 . 1 1 86 86 ASP CB C 13 40.163 0.10 . 1 . . . . 120 ASP CB . 16068 1 726 . 1 1 86 86 ASP N N 15 119.130 0.10 . 1 . . . . 120 ASP N . 16068 1 727 . 1 1 87 87 PRO HA H 1 4.470 0.02 . 1 . . . . 121 PRO HA . 16068 1 728 . 1 1 87 87 PRO HD3 H 1 3.800 0.02 . 1 . . . . 121 PRO HD3 . 16068 1 729 . 1 1 87 87 PRO HG2 H 1 1.910 0.02 . 1 . . . . 121 PRO HG2 . 16068 1 730 . 1 1 87 87 PRO HG3 H 1 1.550 0.02 . 1 . . . . 121 PRO HG3 . 16068 1 731 . 1 1 87 87 PRO CA C 13 175.750 0.10 . 1 . . . . 121 PRO CA . 16068 1 732 . 1 1 87 87 PRO CB C 13 62.414 0.10 . 1 . . . . 121 PRO CB . 16068 1 733 . 1 1 87 87 PRO CD C 13 27.000 0.10 . 1 . . . . 121 PRO CD . 16068 1 734 . 1 1 87 87 PRO CG C 13 30.431 0.10 . 1 . . . . 121 PRO CG . 16068 1 735 . 1 1 87 87 PRO N N 15 49.700 0.10 . 1 . . . . 121 PRO N . 16068 1 736 . 1 1 88 88 VAL H H 1 8.707 0.02 . 1 . . . . 122 VAL H . 16068 1 737 . 1 1 88 88 VAL HA H 1 4.400 0.02 . 1 . . . . 122 VAL HA . 16068 1 738 . 1 1 88 88 VAL HB H 1 2.000 0.02 . 1 . . . . 122 VAL HB . 16068 1 739 . 1 1 88 88 VAL HG11 H 1 1.020 0.02 . 1 . . . . 122 VAL HG1 . 16068 1 740 . 1 1 88 88 VAL HG12 H 1 1.020 0.02 . 1 . . . . 122 VAL HG1 . 16068 1 741 . 1 1 88 88 VAL HG13 H 1 1.020 0.02 . 1 . . . . 122 VAL HG1 . 16068 1 742 . 1 1 88 88 VAL HG21 H 1 0.940 0.02 . 1 . . . . 122 VAL HG2 . 16068 1 743 . 1 1 88 88 VAL HG22 H 1 0.940 0.02 . 1 . . . . 122 VAL HG2 . 16068 1 744 . 1 1 88 88 VAL HG23 H 1 0.940 0.02 . 1 . . . . 122 VAL HG2 . 16068 1 745 . 1 1 88 88 VAL C C 13 174.250 0.10 . 1 . . . . 122 VAL C . 16068 1 746 . 1 1 88 88 VAL CA C 13 60.598 0.10 . 1 . . . . 122 VAL CA . 16068 1 747 . 1 1 88 88 VAL CB C 13 34.847 0.10 . 1 . . . . 122 VAL CB . 16068 1 748 . 1 1 88 88 VAL CG1 C 13 20.900 0.10 . 1 . . . . 122 VAL CG1 . 16068 1 749 . 1 1 88 88 VAL CG2 C 13 20.600 0.10 . 1 . . . . 122 VAL CG2 . 16068 1 750 . 1 1 88 88 VAL N N 15 121.987 0.10 . 1 . . . . 122 VAL N . 16068 1 751 . 1 1 89 89 ASP H H 1 8.437 0.02 . 1 . . . . 123 ASP H . 16068 1 752 . 1 1 89 89 ASP HA H 1 5.068 0.02 . 1 . . . . 123 ASP HA . 16068 1 753 . 1 1 89 89 ASP HB2 H 1 2.860 0.02 . 1 . . . . 123 ASP HB2 . 16068 1 754 . 1 1 89 89 ASP HB3 H 1 2.700 0.02 . 1 . . . . 123 ASP HB3 . 16068 1 755 . 1 1 89 89 ASP C C 13 177.435 0.10 . 1 . . . . 123 ASP C . 16068 1 756 . 1 1 89 89 ASP CA C 13 52.751 0.10 . 1 . . . . 123 ASP CA . 16068 1 757 . 1 1 89 89 ASP CB C 13 40.191 0.10 . 1 . . . . 123 ASP CB . 16068 1 758 . 1 1 89 89 ASP N N 15 125.856 0.10 . 1 . . . . 123 ASP N . 16068 1 759 . 1 1 90 90 LEU H H 1 8.793 0.02 . 1 . . . . 124 LEU H . 16068 1 760 . 1 1 90 90 LEU HA H 1 4.047 0.02 . 1 . . . . 124 LEU HA . 16068 1 761 . 1 1 90 90 LEU CA C 13 56.836 0.10 . 1 . . . . 124 LEU CA . 16068 1 762 . 1 1 90 90 LEU CB C 13 41.301 0.10 . 1 . . . . 124 LEU CB . 16068 1 763 . 1 1 90 90 LEU N N 15 128.178 0.10 . 1 . . . . 124 LEU N . 16068 1 764 . 1 1 91 91 SER H H 1 8.927 0.02 . 1 . . . . 125 SER H . 16068 1 765 . 1 1 91 91 SER HA H 1 4.287 0.02 . 1 . . . . 125 SER HA . 16068 1 766 . 1 1 91 91 SER C C 13 173.984 0.10 . 1 . . . . 125 SER C . 16068 1 767 . 1 1 91 91 SER CA C 13 58.498 0.10 . 1 . . . . 125 SER CA . 16068 1 768 . 1 1 91 91 SER CB C 13 63.600 0.10 . 1 . . . . 125 SER CB . 16068 1 769 . 1 1 91 91 SER N N 15 115.226 0.10 . 1 . . . . 125 SER N . 16068 1 770 . 1 1 92 92 GLY H H 1 8.250 0.02 . 1 . . . . 126 GLY H . 16068 1 771 . 1 1 92 92 GLY HA2 H 1 3.950 0.02 . 1 . . . . 126 GLY HA2 . 16068 1 772 . 1 1 92 92 GLY HA3 H 1 3.670 0.02 . 1 . . . . 126 GLY HA3 . 16068 1 773 . 1 1 92 92 GLY C C 13 174.700 0.10 . 1 . . . . 126 GLY C . 16068 1 774 . 1 1 92 92 GLY CA C 13 45.900 0.10 . 1 . . . . 126 GLY CA . 16068 1 775 . 1 1 92 92 GLY N N 15 109.395 0.10 . 1 . . . . 126 GLY N . 16068 1 776 . 1 1 94 94 GLN C C 13 174.459 0.10 . 1 . . . . 128 GLN C . 16068 1 777 . 1 1 94 94 GLN CA C 13 56.434 0.10 . 1 . . . . 128 GLN CA . 16068 1 778 . 1 1 94 94 GLN CB C 13 25.491 0.10 . 1 . . . . 128 GLN CB . 16068 1 779 . 1 1 95 95 GLU H H 1 8.474 0.02 . 1 . . . . 129 GLU H . 16068 1 780 . 1 1 95 95 GLU HA H 1 4.596 0.02 . 1 . . . . 129 GLU HA . 16068 1 781 . 1 1 95 95 GLU HB2 H 1 2.110 0.02 . 1 . . . . 129 GLU HB2 . 16068 1 782 . 1 1 95 95 GLU HB3 H 1 1.900 0.02 . 1 . . . . 129 GLU HB3 . 16068 1 783 . 1 1 95 95 GLU HG2 H 1 2.250 0.02 . 1 . . . . 129 GLU HG2 . 16068 1 784 . 1 1 95 95 GLU C C 13 177.559 0.10 . 1 . . . . 129 GLU C . 16068 1 785 . 1 1 95 95 GLU CA C 13 57.183 0.10 . 1 . . . . 129 GLU CA . 16068 1 786 . 1 1 95 95 GLU CB C 13 31.432 0.10 . 1 . . . . 129 GLU CB . 16068 1 787 . 1 1 95 95 GLU N N 15 115.145 0.10 . 1 . . . . 129 GLU N . 16068 1 788 . 1 1 96 96 ILE H H 1 9.393 0.02 . 1 . . . . 130 ILE H . 16068 1 789 . 1 1 96 96 ILE HA H 1 4.660 0.02 . 1 . . . . 130 ILE HA . 16068 1 790 . 1 1 96 96 ILE HB H 1 1.830 0.02 . 1 . . . . 130 ILE HB . 16068 1 791 . 1 1 96 96 ILE HG21 H 1 1.030 0.02 . 1 . . . . 130 ILE HG2 . 16068 1 792 . 1 1 96 96 ILE HG22 H 1 1.030 0.02 . 1 . . . . 130 ILE HG2 . 16068 1 793 . 1 1 96 96 ILE HG23 H 1 1.030 0.02 . 1 . . . . 130 ILE HG2 . 16068 1 794 . 1 1 96 96 ILE C C 13 173.821 0.10 . 1 . . . . 130 ILE C . 16068 1 795 . 1 1 96 96 ILE CA C 13 59.481 0.10 . 1 . . . . 130 ILE CA . 16068 1 796 . 1 1 96 96 ILE CB C 13 41.386 0.10 . 1 . . . . 130 ILE CB . 16068 1 797 . 1 1 96 96 ILE N N 15 124.603 0.10 . 1 . . . . 130 ILE N . 16068 1 798 . 1 1 97 97 THR H H 1 9.341 0.02 . 1 . . . . 131 THR H . 16068 1 799 . 1 1 97 97 THR HA H 1 5.135 0.02 . 1 . . . . 131 THR HA . 16068 1 800 . 1 1 97 97 THR HB H 1 3.590 0.02 . 1 . . . . 131 THR HB . 16068 1 801 . 1 1 97 97 THR HG21 H 1 0.980 0.02 . 1 . . . . 131 THR HG1 . 16068 1 802 . 1 1 97 97 THR HG22 H 1 0.980 0.02 . 1 . . . . 131 THR HG1 . 16068 1 803 . 1 1 97 97 THR HG23 H 1 0.980 0.02 . 1 . . . . 131 THR HG1 . 16068 1 804 . 1 1 97 97 THR C C 13 172.742 0.10 . 1 . . . . 131 THR C . 16068 1 805 . 1 1 97 97 THR CA C 13 62.458 0.10 . 1 . . . . 131 THR CA . 16068 1 806 . 1 1 97 97 THR CB C 13 69.995 0.10 . 1 . . . . 131 THR CB . 16068 1 807 . 1 1 97 97 THR CG2 C 13 22.200 0.10 . 1 . . . . 131 THR CG2 . 16068 1 808 . 1 1 97 97 THR N N 15 125.280 0.10 . 1 . . . . 131 THR N . 16068 1 809 . 1 1 98 98 ARG H H 1 9.286 0.02 . 1 . . . . 132 ARG H . 16068 1 810 . 1 1 98 98 ARG HA H 1 5.263 0.02 . 1 . . . . 132 ARG HA . 16068 1 811 . 1 1 98 98 ARG HB2 H 1 1.710 0.02 . 1 . . . . 132 ARG HB2 . 16068 1 812 . 1 1 98 98 ARG HB3 H 1 1.360 0.02 . 1 . . . . 132 ARG HB3 . 16068 1 813 . 1 1 98 98 ARG HD2 H 1 2.930 0.02 . 1 . . . . 132 ARG HD2 . 16068 1 814 . 1 1 98 98 ARG HG2 H 1 0.950 0.02 . 1 . . . . 132 ARG HG2 . 16068 1 815 . 1 1 98 98 ARG HG3 H 1 0.830 0.02 . 1 . . . . 132 ARG HG3 . 16068 1 816 . 1 1 98 98 ARG C C 13 175.462 0.10 . 1 . . . . 132 ARG C . 16068 1 817 . 1 1 98 98 ARG CA C 13 53.122 0.10 . 1 . . . . 132 ARG CA . 16068 1 818 . 1 1 98 98 ARG CB C 13 32.555 0.10 . 1 . . . . 132 ARG CB . 16068 1 819 . 1 1 98 98 ARG N N 15 126.525 0.10 . 1 . . . . 132 ARG N . 16068 1 820 . 1 1 99 99 ILE H H 1 9.338 0.02 . 1 . . . . 133 ILE H . 16068 1 821 . 1 1 99 99 ILE HA H 1 3.959 0.02 . 1 . . . . 133 ILE HA . 16068 1 822 . 1 1 99 99 ILE HB H 1 1.040 0.02 . 1 . . . . 133 ILE HB . 16068 1 823 . 1 1 99 99 ILE HD11 H 1 0.310 0.02 . 1 . . . . 133 ILE HD1 . 16068 1 824 . 1 1 99 99 ILE HD12 H 1 0.310 0.02 . 1 . . . . 133 ILE HD1 . 16068 1 825 . 1 1 99 99 ILE HD13 H 1 0.310 0.02 . 1 . . . . 133 ILE HD1 . 16068 1 826 . 1 1 99 99 ILE HG12 H 1 0.510 0.02 . 1 . . . . 133 ILE HG12 . 16068 1 827 . 1 1 99 99 ILE HG21 H 1 -0.120 0.02 . 1 . . . . 133 ILE HG2 . 16068 1 828 . 1 1 99 99 ILE HG22 H 1 -0.120 0.02 . 1 . . . . 133 ILE HG2 . 16068 1 829 . 1 1 99 99 ILE HG23 H 1 -0.120 0.02 . 1 . . . . 133 ILE HG2 . 16068 1 830 . 1 1 99 99 ILE C C 13 173.860 0.10 . 1 . . . . 133 ILE C . 16068 1 831 . 1 1 99 99 ILE CA C 13 59.719 0.10 . 1 . . . . 133 ILE CA . 16068 1 832 . 1 1 99 99 ILE CB C 13 41.429 0.10 . 1 . . . . 133 ILE CB . 16068 1 833 . 1 1 99 99 ILE CG1 C 13 14.500 0.10 . 1 . . . . 133 ILE CG1 . 16068 1 834 . 1 1 99 99 ILE CG2 C 13 16.500 0.10 . 1 . . . . 133 ILE CG2 . 16068 1 835 . 1 1 99 99 ILE N N 15 129.483 0.10 . 1 . . . . 133 ILE N . 16068 1 836 . 1 1 100 100 LYS H H 1 8.457 0.02 . 1 . . . . 134 LYS H . 16068 1 837 . 1 1 100 100 LYS HA H 1 4.990 0.02 . 1 . . . . 134 LYS HA . 16068 1 838 . 1 1 100 100 LYS C C 13 175.750 0.10 . 1 . . . . 134 LYS C . 16068 1 839 . 1 1 100 100 LYS CA C 13 54.548 0.10 . 1 . . . . 134 LYS CA . 16068 1 840 . 1 1 100 100 LYS CB C 13 32.800 0.10 . 1 . . . . 134 LYS CB . 16068 1 841 . 1 1 100 100 LYS N N 15 128.506 0.10 . 1 . . . . 134 LYS N . 16068 1 842 . 1 1 101 101 GLY H H 1 8.968 0.02 . 1 . . . . 135 GLY H . 16068 1 843 . 1 1 101 101 GLY HA2 H 1 5.350 0.02 . 1 . . . . 135 GLY HA2 . 16068 1 844 . 1 1 101 101 GLY HA3 H 1 3.290 0.02 . 1 . . . . 135 GLY HA3 . 16068 1 845 . 1 1 101 101 GLY C C 13 171.558 0.10 . 1 . . . . 135 GLY C . 16068 1 846 . 1 1 101 101 GLY CA C 13 44.286 0.10 . 1 . . . . 135 GLY CA . 16068 1 847 . 1 1 101 101 GLY N N 15 110.167 0.10 . 1 . . . . 135 GLY N . 16068 1 848 . 1 1 102 102 LYS H H 1 9.158 0.02 . 1 . . . . 136 LYS H . 16068 1 849 . 1 1 102 102 LYS C C 13 174.516 0.10 . 1 . . . . 136 LYS C . 16068 1 850 . 1 1 102 102 LYS CA C 13 53.781 0.10 . 1 . . . . 136 LYS CA . 16068 1 851 . 1 1 102 102 LYS CB C 13 34.807 0.10 . 1 . . . . 136 LYS CB . 16068 1 852 . 1 1 102 102 LYS N N 15 119.838 0.10 . 1 . . . . 136 LYS N . 16068 1 853 . 1 1 103 103 GLU H H 1 8.711 0.02 . 1 . . . . 137 GLU H . 16068 1 854 . 1 1 103 103 GLU HA H 1 4.709 0.02 . 1 . . . . 137 GLU HA . 16068 1 855 . 1 1 103 103 GLU C C 13 176.875 0.10 . 1 . . . . 137 GLU C . 16068 1 856 . 1 1 103 103 GLU CA C 13 56.833 0.10 . 1 . . . . 137 GLU CA . 16068 1 857 . 1 1 103 103 GLU CB C 13 30.640 0.10 . 1 . . . . 137 GLU CB . 16068 1 858 . 1 1 103 103 GLU N N 15 124.293 0.10 . 1 . . . . 137 GLU N . 16068 1 859 . 1 1 104 104 ASP H H 1 9.334 0.02 . 1 . . . . 138 ASP H . 16068 1 860 . 1 1 104 104 ASP HA H 1 4.954 0.02 . 1 . . . . 138 ASP HA . 16068 1 861 . 1 1 104 104 ASP HB2 H 1 2.650 0.02 . 1 . . . . 138 ASP HB2 . 16068 1 862 . 1 1 104 104 ASP HB3 H 1 2.180 0.02 . 1 . . . . 138 ASP HB3 . 16068 1 863 . 1 1 104 104 ASP C C 13 175.340 0.10 . 1 . . . . 138 ASP C . 16068 1 864 . 1 1 104 104 ASP CA C 13 53.107 0.10 . 1 . . . . 138 ASP CA . 16068 1 865 . 1 1 104 104 ASP CB C 13 42.374 0.10 . 1 . . . . 138 ASP CB . 16068 1 866 . 1 1 104 104 ASP N N 15 127.542 0.10 . 1 . . . . 138 ASP N . 16068 1 867 . 1 1 105 105 GLY H H 1 7.732 0.02 . 1 . . . . 139 GLY H . 16068 1 868 . 1 1 105 105 GLY HA2 H 1 4.360 0.02 . 1 . . . . 139 GLY HA2 . 16068 1 869 . 1 1 105 105 GLY HA3 H 1 3.800 0.02 . 1 . . . . 139 GLY HA3 . 16068 1 870 . 1 1 105 105 GLY C C 13 172.374 0.10 . 1 . . . . 139 GLY C . 16068 1 871 . 1 1 105 105 GLY CA C 13 43.800 0.10 . 1 . . . . 139 GLY CA . 16068 1 872 . 1 1 105 105 GLY N N 15 106.466 0.10 . 1 . . . . 139 GLY N . 16068 1 873 . 1 1 106 106 ALA H H 1 8.191 0.02 . 1 . . . . 140 ALA H . 16068 1 874 . 1 1 106 106 ALA HA H 1 4.564 0.02 . 1 . . . . 140 ALA HA . 16068 1 875 . 1 1 106 106 ALA HB1 H 1 1.350 0.02 . 1 . . . . 140 ALA HB . 16068 1 876 . 1 1 106 106 ALA HB2 H 1 1.350 0.02 . 1 . . . . 140 ALA HB . 16068 1 877 . 1 1 106 106 ALA HB3 H 1 1.350 0.02 . 1 . . . . 140 ALA HB . 16068 1 878 . 1 1 106 106 ALA C C 13 177.004 0.10 . 1 . . . . 140 ALA C . 16068 1 879 . 1 1 106 106 ALA CA C 13 51.406 0.10 . 1 . . . . 140 ALA CA . 16068 1 880 . 1 1 106 106 ALA CB C 13 19.500 0.10 . 1 . . . . 140 ALA CB . 16068 1 881 . 1 1 106 106 ALA N N 15 120.674 0.10 . 1 . . . . 140 ALA N . 16068 1 882 . 1 1 107 107 TYR H H 1 8.458 0.02 . 1 . . . . 141 TYR H . 16068 1 883 . 1 1 107 107 TYR HA H 1 4.578 0.02 . 1 . . . . 141 TYR HA . 16068 1 884 . 1 1 107 107 TYR HB2 H 1 2.570 0.02 . 1 . . . . 141 TYR HB2 . 16068 1 885 . 1 1 107 107 TYR HD1 H 1 6.930 0.02 . 1 . . . . 141 TYR HD1 . 16068 1 886 . 1 1 107 107 TYR HE1 H 1 6.760 0.02 . 1 . . . . 141 TYR HE1 . 16068 1 887 . 1 1 107 107 TYR C C 13 174.746 0.10 . 1 . . . . 141 TYR C . 16068 1 888 . 1 1 107 107 TYR CA C 13 56.554 0.10 . 1 . . . . 141 TYR CA . 16068 1 889 . 1 1 107 107 TYR CB C 13 38.649 0.10 . 1 . . . . 141 TYR CB . 16068 1 890 . 1 1 107 107 TYR CD1 C 13 133.100 0.10 . 1 . . . . 141 TYR CD1 . 16068 1 891 . 1 1 107 107 TYR CE1 C 13 117.900 0.10 . 1 . . . . 141 TYR CE1 . 16068 1 892 . 1 1 107 107 TYR N N 15 121.312 0.10 . 1 . . . . 141 TYR N . 16068 1 893 . 1 1 108 108 VAL H H 1 7.941 0.02 . 1 . . . . 142 VAL H . 16068 1 894 . 1 1 108 108 VAL HA H 1 4.008 0.02 . 1 . . . . 142 VAL HA . 16068 1 895 . 1 1 108 108 VAL HB H 1 2.020 0.02 . 1 . . . . 142 VAL HB . 16068 1 896 . 1 1 108 108 VAL HG11 H 1 0.790 0.02 . 1 . . . . 142 VAL HG1 . 16068 1 897 . 1 1 108 108 VAL HG12 H 1 0.790 0.02 . 1 . . . . 142 VAL HG1 . 16068 1 898 . 1 1 108 108 VAL HG13 H 1 0.790 0.02 . 1 . . . . 142 VAL HG1 . 16068 1 899 . 1 1 108 108 VAL HG21 H 1 0.760 0.02 . 1 . . . . 142 VAL HG2 . 16068 1 900 . 1 1 108 108 VAL HG22 H 1 0.760 0.02 . 1 . . . . 142 VAL HG2 . 16068 1 901 . 1 1 108 108 VAL HG23 H 1 0.760 0.02 . 1 . . . . 142 VAL HG2 . 16068 1 902 . 1 1 108 108 VAL C C 13 174.701 0.10 . 1 . . . . 142 VAL C . 16068 1 903 . 1 1 108 108 VAL CA C 13 60.912 0.10 . 1 . . . . 142 VAL CA . 16068 1 904 . 1 1 108 108 VAL CB C 13 32.065 0.10 . 1 . . . . 142 VAL CB . 16068 1 905 . 1 1 108 108 VAL CG1 C 13 20.700 0.10 . 1 . . . . 142 VAL CG1 . 16068 1 906 . 1 1 108 108 VAL CG2 C 13 19.100 0.10 . 1 . . . . 142 VAL CG2 . 16068 1 907 . 1 1 108 108 VAL N N 15 125.257 0.10 . 1 . . . . 142 VAL N . 16068 1 908 . 1 1 109 109 GLY H H 1 6.826 0.02 . 1 . . . . 143 GLY H . 16068 1 909 . 1 1 109 109 GLY HA2 H 1 3.610 0.02 . 1 . . . . 143 GLY HA2 . 16068 1 910 . 1 1 109 109 GLY HA3 H 1 3.470 0.02 . 1 . . . . 143 GLY HA3 . 16068 1 911 . 1 1 109 109 GLY C C 13 178.505 0.10 . 1 . . . . 143 GLY C . 16068 1 912 . 1 1 109 109 GLY CA C 13 45.440 0.10 . 1 . . . . 143 GLY CA . 16068 1 913 . 1 1 109 109 GLY N N 15 116.746 0.10 . 1 . . . . 143 GLY N . 16068 1 stop_ save_