data_16515 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16515 _Entry.Title ; Solution structure of mouse Par-3 PDZ2 (residues 450-558) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date 2010-05-13 _Entry.Original_release_date 2010-05-13 _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 NMR' _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 B. Volkman B. F. . 16515 2 R. Tyler R. C. . 16515 3 F. Peterson F. C. . 16515 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Genomics' . 16515 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Par-3 . 16515 'PDZ domain' . 16515 'structural genomics' . 16515 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16515 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 16515 '15N chemical shifts' 108 16515 '1H chemical shifts' 621 16515 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-13 2009-09-23 original author . 16515 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KOJ 'BMRB Entry Tracking System' 16515 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16515 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Macromolecular Structure Determination by NMR Sepectroscopy' _Citation.Status published _Citation.Type book _Citation.Journal_abbrev 'Structural Bioinformatics 2nd edition' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title 'Structural Bioinformatcis, 2nd edition' _Citation.Book_chapter_title 'Macromolecular Structure Determination by NMR Sepectroscopy' _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher 'John Wiley' _Citation.Book_publisher_city 'New York' _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 93 _Citation.Page_last 142 _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 J. Markley . L. . 16515 1 2 A. Bahrami . . . 16515 1 3 H. Eghbalnia . R. . 16515 1 4 F. Peterson . C. . 16515 1 5 E. Ulrich . L. . 16515 1 6 W. Westler . M. . 16515 1 7 B. Volkman . F. . 16515 1 stop_ loop_ _Citation_editor.Ordinal _Citation_editor.Given_name _Citation_editor.Family_name _Citation_editor.First_initial _Citation_editor.Middle_initials _Citation_editor.Family_title _Citation_editor.Entry_ID _Citation_editor.Citation_ID 1 J. Gu . . . 16515 1 2 P. Bourne . E. . 16515 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16515 _Assembly.ID 1 _Assembly.Name 'mPar3 PDZ2' _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 'mPar3 PDZ2' 1 $mPar3_PDZ2 A . yes native no no . . . 16515 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mPar3_PDZ2 _Entity.Sf_category entity _Entity.Sf_framecode mPar3_PDZ2 _Entity.Entry_ID 16515 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mPar3_PDZ2 _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 ; GSVYNTKKVGKRLNIQLKKG TEGLGFSITSRDVTIGGSAP IYVKNILPRGAAIQDGRLKA GDRLIEVNGVDLAGKSQEEV VSLLRSTKMEGTVSLLVFRQ EEAFHPREMNA ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ2(residues 450-558)' _Entity.Mutation NONE _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11927.798 _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 BMRB 16520 . hPar-3_PDZ2 . . . . . 89.19 121 96.97 98.99 1.09e-60 . . . . 16515 1 2 no PDB 2KOJ . "Solution Structure Of Mouse Par-3 Pdz2 (Residues 450-558)" . . . . . 100.00 111 100.00 100.00 2.58e-72 . . . . 16515 1 3 no PDB 2KOM . "Solution Structure Of Humar Par-3b Pdz2 (Residues 451-549)" . . . . . 89.19 121 96.97 98.99 1.09e-60 . . . . 16515 1 4 no PDB 2OGP . "Solution Structure Of The Second Pdz Domain Of Par-3" . . . . . 87.39 97 98.97 100.00 3.88e-59 . . . . 16515 1 5 no REF XP_011836158 . "PREDICTED: partitioning defective 3 homolog, partial [Mandrillus leucophaeus]" . . . . . 97.30 434 97.22 100.00 7.45e-66 . . . . 16515 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 . GLY . 16515 1 2 . SER . 16515 1 3 . VAL . 16515 1 4 . TYR . 16515 1 5 . ASN . 16515 1 6 . THR . 16515 1 7 . LYS . 16515 1 8 . LYS . 16515 1 9 . VAL . 16515 1 10 . GLY . 16515 1 11 . LYS . 16515 1 12 . ARG . 16515 1 13 . LEU . 16515 1 14 . ASN . 16515 1 15 . ILE . 16515 1 16 . GLN . 16515 1 17 . LEU . 16515 1 18 . LYS . 16515 1 19 . LYS . 16515 1 20 . GLY . 16515 1 21 . THR . 16515 1 22 . GLU . 16515 1 23 . GLY . 16515 1 24 . LEU . 16515 1 25 . GLY . 16515 1 26 . PHE . 16515 1 27 . SER . 16515 1 28 . ILE . 16515 1 29 . THR . 16515 1 30 . SER . 16515 1 31 . ARG . 16515 1 32 . ASP . 16515 1 33 . VAL . 16515 1 34 . THR . 16515 1 35 . ILE . 16515 1 36 . GLY . 16515 1 37 . GLY . 16515 1 38 . SER . 16515 1 39 . ALA . 16515 1 40 . PRO . 16515 1 41 . ILE . 16515 1 42 . TYR . 16515 1 43 . VAL . 16515 1 44 . LYS . 16515 1 45 . ASN . 16515 1 46 . ILE . 16515 1 47 . LEU . 16515 1 48 . PRO . 16515 1 49 . ARG . 16515 1 50 . GLY . 16515 1 51 . ALA . 16515 1 52 . ALA . 16515 1 53 . ILE . 16515 1 54 . GLN . 16515 1 55 . ASP . 16515 1 56 . GLY . 16515 1 57 . ARG . 16515 1 58 . LEU . 16515 1 59 . LYS . 16515 1 60 . ALA . 16515 1 61 . GLY . 16515 1 62 . ASP . 16515 1 63 . ARG . 16515 1 64 . LEU . 16515 1 65 . ILE . 16515 1 66 . GLU . 16515 1 67 . VAL . 16515 1 68 . ASN . 16515 1 69 . GLY . 16515 1 70 . VAL . 16515 1 71 . ASP . 16515 1 72 . LEU . 16515 1 73 . ALA . 16515 1 74 . GLY . 16515 1 75 . LYS . 16515 1 76 . SER . 16515 1 77 . GLN . 16515 1 78 . GLU . 16515 1 79 . GLU . 16515 1 80 . VAL . 16515 1 81 . VAL . 16515 1 82 . SER . 16515 1 83 . LEU . 16515 1 84 . LEU . 16515 1 85 . ARG . 16515 1 86 . SER . 16515 1 87 . THR . 16515 1 88 . LYS . 16515 1 89 . MET . 16515 1 90 . GLU . 16515 1 91 . GLY . 16515 1 92 . THR . 16515 1 93 . VAL . 16515 1 94 . SER . 16515 1 95 . LEU . 16515 1 96 . LEU . 16515 1 97 . VAL . 16515 1 98 . PHE . 16515 1 99 . ARG . 16515 1 100 . GLN . 16515 1 101 . GLU . 16515 1 102 . GLU . 16515 1 103 . ALA . 16515 1 104 . PHE . 16515 1 105 . HIS . 16515 1 106 . PRO . 16515 1 107 . ARG . 16515 1 108 . GLU . 16515 1 109 . MET . 16515 1 110 . ASN . 16515 1 111 . ALA . 16515 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16515 1 . SER 2 2 16515 1 . VAL 3 3 16515 1 . TYR 4 4 16515 1 . ASN 5 5 16515 1 . THR 6 6 16515 1 . LYS 7 7 16515 1 . LYS 8 8 16515 1 . VAL 9 9 16515 1 . GLY 10 10 16515 1 . LYS 11 11 16515 1 . ARG 12 12 16515 1 . LEU 13 13 16515 1 . ASN 14 14 16515 1 . ILE 15 15 16515 1 . GLN 16 16 16515 1 . LEU 17 17 16515 1 . LYS 18 18 16515 1 . LYS 19 19 16515 1 . GLY 20 20 16515 1 . THR 21 21 16515 1 . GLU 22 22 16515 1 . GLY 23 23 16515 1 . LEU 24 24 16515 1 . GLY 25 25 16515 1 . PHE 26 26 16515 1 . SER 27 27 16515 1 . ILE 28 28 16515 1 . THR 29 29 16515 1 . SER 30 30 16515 1 . ARG 31 31 16515 1 . ASP 32 32 16515 1 . VAL 33 33 16515 1 . THR 34 34 16515 1 . ILE 35 35 16515 1 . GLY 36 36 16515 1 . GLY 37 37 16515 1 . SER 38 38 16515 1 . ALA 39 39 16515 1 . PRO 40 40 16515 1 . ILE 41 41 16515 1 . TYR 42 42 16515 1 . VAL 43 43 16515 1 . LYS 44 44 16515 1 . ASN 45 45 16515 1 . ILE 46 46 16515 1 . LEU 47 47 16515 1 . PRO 48 48 16515 1 . ARG 49 49 16515 1 . GLY 50 50 16515 1 . ALA 51 51 16515 1 . ALA 52 52 16515 1 . ILE 53 53 16515 1 . GLN 54 54 16515 1 . ASP 55 55 16515 1 . GLY 56 56 16515 1 . ARG 57 57 16515 1 . LEU 58 58 16515 1 . LYS 59 59 16515 1 . ALA 60 60 16515 1 . GLY 61 61 16515 1 . ASP 62 62 16515 1 . ARG 63 63 16515 1 . LEU 64 64 16515 1 . ILE 65 65 16515 1 . GLU 66 66 16515 1 . VAL 67 67 16515 1 . ASN 68 68 16515 1 . GLY 69 69 16515 1 . VAL 70 70 16515 1 . ASP 71 71 16515 1 . LEU 72 72 16515 1 . ALA 73 73 16515 1 . GLY 74 74 16515 1 . LYS 75 75 16515 1 . SER 76 76 16515 1 . GLN 77 77 16515 1 . GLU 78 78 16515 1 . GLU 79 79 16515 1 . VAL 80 80 16515 1 . VAL 81 81 16515 1 . SER 82 82 16515 1 . LEU 83 83 16515 1 . LEU 84 84 16515 1 . ARG 85 85 16515 1 . SER 86 86 16515 1 . THR 87 87 16515 1 . LYS 88 88 16515 1 . MET 89 89 16515 1 . GLU 90 90 16515 1 . GLY 91 91 16515 1 . THR 92 92 16515 1 . VAL 93 93 16515 1 . SER 94 94 16515 1 . LEU 95 95 16515 1 . LEU 96 96 16515 1 . VAL 97 97 16515 1 . PHE 98 98 16515 1 . ARG 99 99 16515 1 . GLN 100 100 16515 1 . GLU 101 101 16515 1 . GLU 102 102 16515 1 . ALA 103 103 16515 1 . PHE 104 104 16515 1 . HIS 105 105 16515 1 . PRO 106 106 16515 1 . ARG 107 107 16515 1 . GLU 108 108 16515 1 . MET 109 109 16515 1 . ASN 110 110 16515 1 . ALA 111 111 16515 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 16515 _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 $mPar3_PDZ2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . Par-3 . . . . 16515 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 16515 _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 $mPar3_PDZ2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-8HT . . . . . . 16515 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 16515 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM Par3 PDZ2(450-558) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' _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 'mPar3 PDZ2' '[U-100% 13C; U-100% 15N]' . . 1 $mPar3_PDZ2 . . 1 . . mM . . . . 16515 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16515 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16515 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16515 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16515 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16515 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16515 _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' 54 . mM 16515 1 pH 7.0 . pH 16515 1 pressure 1 . atm 16515 1 temperature 298 . K 16515 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16515 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 16515 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16515 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 16515 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 16515 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16515 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16515 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 16515 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16515 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 16515 _Software.ID 4 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R.W. Glaser' . . 16515 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16515 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16515 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 16515 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16515 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 16515 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 16515 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 16515 6 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 16515 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 16515 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16515 7 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 16515 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16515 _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 II' . 600 . . . 16515 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 16515 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16515 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16515 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16515 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 16515 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16515 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16515 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16515 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 16515 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 16515 1 2 3D_13C-separated_NOESY . . . 16515 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16515 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 8.131 0.02 . 1 . . . . 3 VAL H . 16515 1 2 . 1 1 3 3 VAL C C 13 174.788 0.1 . 1 . . . . 3 VAL C . 16515 1 3 . 1 1 3 3 VAL N N 15 121.492 0.1 . 1 . . . . 3 VAL N . 16515 1 4 . 1 1 4 4 TYR H H 1 8.164 0.02 . 1 . . . . 4 TYR H . 16515 1 5 . 1 1 4 4 TYR HD1 H 1 7.095 0.02 . 1 . . . . 4 TYR HD1 . 16515 1 6 . 1 1 4 4 TYR HD2 H 1 7.095 0.02 . 1 . . . . 4 TYR HD2 . 16515 1 7 . 1 1 4 4 TYR HE1 H 1 6.811 0.02 . 1 . . . . 4 TYR HE1 . 16515 1 8 . 1 1 4 4 TYR HE2 H 1 6.811 0.02 . 1 . . . . 4 TYR HE2 . 16515 1 9 . 1 1 4 4 TYR C C 13 175.928 0.1 . 1 . . . . 4 TYR C . 16515 1 10 . 1 1 4 4 TYR CD1 C 13 133.344 0.1 . 1 . . . . 4 TYR CD1 . 16515 1 11 . 1 1 4 4 TYR CE1 C 13 118.584 0.1 . 1 . . . . 4 TYR CE1 . 16515 1 12 . 1 1 4 4 TYR N N 15 123.035 0.1 . 1 . . . . 4 TYR N . 16515 1 13 . 1 1 7 7 LYS HA H 1 4.411 0.02 . 1 . . . . 7 LYS HA . 16515 1 14 . 1 1 7 7 LYS HB2 H 1 1.832 0.02 . 2 . . . . 7 LYS HB2 . 16515 1 15 . 1 1 7 7 LYS HE2 H 1 3.014 0.02 . 2 . . . . 7 LYS HE2 . 16515 1 16 . 1 1 7 7 LYS CA C 13 56.343 0.1 . 1 . . . . 7 LYS CA . 16515 1 17 . 1 1 7 7 LYS CB C 13 33.404 0.1 . 1 . . . . 7 LYS CB . 16515 1 18 . 1 1 7 7 LYS CE C 13 42.413 0.1 . 1 . . . . 7 LYS CE . 16515 1 19 . 1 1 8 8 LYS H H 1 8.288 0.02 . 1 . . . . 8 LYS H . 16515 1 20 . 1 1 8 8 LYS HA H 1 4.481 0.02 . 1 . . . . 8 LYS HA . 16515 1 21 . 1 1 8 8 LYS HB2 H 1 1.773 0.02 . 2 . . . . 8 LYS HB2 . 16515 1 22 . 1 1 8 8 LYS HE2 H 1 2.969 0.02 . 2 . . . . 8 LYS HE2 . 16515 1 23 . 1 1 8 8 LYS C C 13 176.497 0.1 . 1 . . . . 8 LYS C . 16515 1 24 . 1 1 8 8 LYS CA C 13 56.266 0.1 . 1 . . . . 8 LYS CA . 16515 1 25 . 1 1 8 8 LYS CB C 13 33.614 0.1 . 1 . . . . 8 LYS CB . 16515 1 26 . 1 1 8 8 LYS CE C 13 42.377 0.1 . 1 . . . . 8 LYS CE . 16515 1 27 . 1 1 8 8 LYS N N 15 122.557 0.1 . 1 . . . . 8 LYS N . 16515 1 28 . 1 1 9 9 VAL H H 1 8.317 0.02 . 1 . . . . 9 VAL H . 16515 1 29 . 1 1 9 9 VAL HA H 1 4.329 0.02 . 1 . . . . 9 VAL HA . 16515 1 30 . 1 1 9 9 VAL HB H 1 2.148 0.02 . 1 . . . . 9 VAL HB . 16515 1 31 . 1 1 9 9 VAL HG21 H 1 0.992 0.02 . 2 . . . . 9 VAL QG2 . 16515 1 32 . 1 1 9 9 VAL HG22 H 1 0.992 0.02 . 2 . . . . 9 VAL QG2 . 16515 1 33 . 1 1 9 9 VAL HG23 H 1 0.992 0.02 . 2 . . . . 9 VAL QG2 . 16515 1 34 . 1 1 9 9 VAL C C 13 176.430 0.1 . 1 . . . . 9 VAL C . 16515 1 35 . 1 1 9 9 VAL CA C 13 62.222 0.1 . 1 . . . . 9 VAL CA . 16515 1 36 . 1 1 9 9 VAL CB C 13 33.573 0.1 . 1 . . . . 9 VAL CB . 16515 1 37 . 1 1 9 9 VAL CG2 C 13 21.068 0.1 . 1 . . . . 9 VAL CG2 . 16515 1 38 . 1 1 9 9 VAL N N 15 121.039 0.1 . 1 . . . . 9 VAL N . 16515 1 39 . 1 1 10 10 GLY H H 1 8.352 0.02 . 1 . . . . 10 GLY H . 16515 1 40 . 1 1 10 10 GLY HA2 H 1 3.918 0.02 . 2 . . . . 10 GLY HA2 . 16515 1 41 . 1 1 10 10 GLY HA3 H 1 4.116 0.02 . 2 . . . . 10 GLY HA3 . 16515 1 42 . 1 1 10 10 GLY C C 13 176.112 0.1 . 1 . . . . 10 GLY C . 16515 1 43 . 1 1 10 10 GLY CA C 13 45.870 0.1 . 1 . . . . 10 GLY CA . 16515 1 44 . 1 1 10 10 GLY N N 15 111.913 0.1 . 1 . . . . 10 GLY N . 16515 1 45 . 1 1 11 11 LYS H H 1 8.072 0.02 . 1 . . . . 11 LYS H . 16515 1 46 . 1 1 11 11 LYS HA H 1 4.645 0.02 . 1 . . . . 11 LYS HA . 16515 1 47 . 1 1 11 11 LYS HB2 H 1 1.631 0.02 . 2 . . . . 11 LYS HB2 . 16515 1 48 . 1 1 11 11 LYS HD2 H 1 1.607 0.02 . 2 . . . . 11 LYS HD2 . 16515 1 49 . 1 1 11 11 LYS HE2 H 1 2.901 0.02 . 2 . . . . 11 LYS HE2 . 16515 1 50 . 1 1 11 11 LYS HG2 H 1 1.308 0.02 . 2 . . . . 11 LYS HG2 . 16515 1 51 . 1 1 11 11 LYS C C 13 172.391 0.1 . 1 . . . . 11 LYS C . 16515 1 52 . 1 1 11 11 LYS CA C 13 55.161 0.1 . 1 . . . . 11 LYS CA . 16515 1 53 . 1 1 11 11 LYS CB C 13 36.391 0.1 . 1 . . . . 11 LYS CB . 16515 1 54 . 1 1 11 11 LYS CD C 13 29.890 0.1 . 1 . . . . 11 LYS CD . 16515 1 55 . 1 1 11 11 LYS CE C 13 42.406 0.1 . 1 . . . . 11 LYS CE . 16515 1 56 . 1 1 11 11 LYS CG C 13 24.476 0.1 . 1 . . . . 11 LYS CG . 16515 1 57 . 1 1 11 11 LYS N N 15 119.914 0.1 . 1 . . . . 11 LYS N . 16515 1 58 . 1 1 12 12 ARG H H 1 8.452 0.02 . 1 . . . . 12 ARG H . 16515 1 59 . 1 1 12 12 ARG HA H 1 5.478 0.02 . 1 . . . . 12 ARG HA . 16515 1 60 . 1 1 12 12 ARG HB2 H 1 1.750 0.02 . 2 . . . . 12 ARG HB2 . 16515 1 61 . 1 1 12 12 ARG HB3 H 1 1.770 0.02 . 2 . . . . 12 ARG HB3 . 16515 1 62 . 1 1 12 12 ARG HD2 H 1 3.255 0.02 . 2 . . . . 12 ARG HD2 . 16515 1 63 . 1 1 12 12 ARG HD3 H 1 3.174 0.02 . 2 . . . . 12 ARG HD3 . 16515 1 64 . 1 1 12 12 ARG HG2 H 1 1.877 0.02 . 2 . . . . 12 ARG HG2 . 16515 1 65 . 1 1 12 12 ARG HG3 H 1 1.558 0.02 . 2 . . . . 12 ARG HG3 . 16515 1 66 . 1 1 12 12 ARG C C 13 174.386 0.1 . 1 . . . . 12 ARG C . 16515 1 67 . 1 1 12 12 ARG CA C 13 55.110 0.1 . 1 . . . . 12 ARG CA . 16515 1 68 . 1 1 12 12 ARG CB C 13 32.560 0.1 . 1 . . . . 12 ARG CB . 16515 1 69 . 1 1 12 12 ARG CD C 13 44.159 0.1 . 1 . . . . 12 ARG CD . 16515 1 70 . 1 1 12 12 ARG CG C 13 28.595 0.1 . 1 . . . . 12 ARG CG . 16515 1 71 . 1 1 12 12 ARG N N 15 121.814 0.1 . 1 . . . . 12 ARG N . 16515 1 72 . 1 1 13 13 LEU H H 1 8.967 0.02 . 1 . . . . 13 LEU H . 16515 1 73 . 1 1 13 13 LEU HA H 1 4.715 0.02 . 1 . . . . 13 LEU HA . 16515 1 74 . 1 1 13 13 LEU HB2 H 1 1.386 0.02 . 2 . . . . 13 LEU HB2 . 16515 1 75 . 1 1 13 13 LEU HD11 H 1 0.744 0.02 . 2 . . . . 13 LEU QD1 . 16515 1 76 . 1 1 13 13 LEU HD12 H 1 0.744 0.02 . 2 . . . . 13 LEU QD1 . 16515 1 77 . 1 1 13 13 LEU HD13 H 1 0.744 0.02 . 2 . . . . 13 LEU QD1 . 16515 1 78 . 1 1 13 13 LEU C C 13 176.363 0.1 . 1 . . . . 13 LEU C . 16515 1 79 . 1 1 13 13 LEU CA C 13 54.857 0.1 . 1 . . . . 13 LEU CA . 16515 1 80 . 1 1 13 13 LEU CB C 13 45.541 0.1 . 1 . . . . 13 LEU CB . 16515 1 81 . 1 1 13 13 LEU CD1 C 13 25.471 0.1 . 1 . . . . 13 LEU CD1 . 16515 1 82 . 1 1 13 13 LEU N N 15 123.049 0.1 . 1 . . . . 13 LEU N . 16515 1 83 . 1 1 14 14 ASN H H 1 8.574 0.02 . 1 . . . . 14 ASN H . 16515 1 84 . 1 1 14 14 ASN HA H 1 5.454 0.02 . 1 . . . . 14 ASN HA . 16515 1 85 . 1 1 14 14 ASN HB2 H 1 2.586 0.02 . 2 . . . . 14 ASN HB2 . 16515 1 86 . 1 1 14 14 ASN HB3 H 1 2.718 0.02 . 2 . . . . 14 ASN HB3 . 16515 1 87 . 1 1 14 14 ASN HD21 H 1 7.322 0.02 . 2 . . . . 14 ASN HD21 . 16515 1 88 . 1 1 14 14 ASN HD22 H 1 6.758 0.02 . 2 . . . . 14 ASN HD22 . 16515 1 89 . 1 1 14 14 ASN C C 13 174.402 0.1 . 1 . . . . 14 ASN C . 16515 1 90 . 1 1 14 14 ASN CA C 13 52.725 0.1 . 1 . . . . 14 ASN CA . 16515 1 91 . 1 1 14 14 ASN CB C 13 40.455 0.1 . 1 . . . . 14 ASN CB . 16515 1 92 . 1 1 14 14 ASN N N 15 121.406 0.1 . 1 . . . . 14 ASN N . 16515 1 93 . 1 1 14 14 ASN ND2 N 15 111.514 0.1 . 1 . . . . 14 ASN ND2 . 16515 1 94 . 1 1 15 15 ILE H H 1 9.012 0.02 . 1 . . . . 15 ILE H . 16515 1 95 . 1 1 15 15 ILE HA H 1 4.012 0.02 . 1 . . . . 15 ILE HA . 16515 1 96 . 1 1 15 15 ILE HB H 1 1.503 0.02 . 1 . . . . 15 ILE HB . 16515 1 97 . 1 1 15 15 ILE HD11 H 1 0.608 0.02 . 1 . . . . 15 ILE QD1 . 16515 1 98 . 1 1 15 15 ILE HD12 H 1 0.608 0.02 . 1 . . . . 15 ILE QD1 . 16515 1 99 . 1 1 15 15 ILE HD13 H 1 0.608 0.02 . 1 . . . . 15 ILE QD1 . 16515 1 100 . 1 1 15 15 ILE HG12 H 1 0.754 0.02 . 2 . . . . 15 ILE HG12 . 16515 1 101 . 1 1 15 15 ILE HG13 H 1 1.365 0.02 . 2 . . . . 15 ILE HG13 . 16515 1 102 . 1 1 15 15 ILE HG21 H 1 0.783 0.02 . 1 . . . . 15 ILE QG2 . 16515 1 103 . 1 1 15 15 ILE HG22 H 1 0.783 0.02 . 1 . . . . 15 ILE QG2 . 16515 1 104 . 1 1 15 15 ILE HG23 H 1 0.783 0.02 . 1 . . . . 15 ILE QG2 . 16515 1 105 . 1 1 15 15 ILE C C 13 174.469 0.1 . 1 . . . . 15 ILE C . 16515 1 106 . 1 1 15 15 ILE CA C 13 61.253 0.1 . 1 . . . . 15 ILE CA . 16515 1 107 . 1 1 15 15 ILE CB C 13 42.721 0.1 . 1 . . . . 15 ILE CB . 16515 1 108 . 1 1 15 15 ILE CD1 C 13 14.556 0.1 . 1 . . . . 15 ILE CD1 . 16515 1 109 . 1 1 15 15 ILE CG1 C 13 28.293 0.1 . 1 . . . . 15 ILE CG1 . 16515 1 110 . 1 1 15 15 ILE CG2 C 13 17.149 0.1 . 1 . . . . 15 ILE CG2 . 16515 1 111 . 1 1 15 15 ILE N N 15 126.072 0.1 . 1 . . . . 15 ILE N . 16515 1 112 . 1 1 16 16 GLN H H 1 7.606 0.02 . 1 . . . . 16 GLN H . 16515 1 113 . 1 1 16 16 GLN HA H 1 5.360 0.02 . 1 . . . . 16 GLN HA . 16515 1 114 . 1 1 16 16 GLN HB2 H 1 2.043 0.02 . 2 . . . . 16 GLN HB2 . 16515 1 115 . 1 1 16 16 GLN HB3 H 1 1.843 0.02 . 2 . . . . 16 GLN HB3 . 16515 1 116 . 1 1 16 16 GLN HE21 H 1 7.436 0.02 . 2 . . . . 16 GLN HE21 . 16515 1 117 . 1 1 16 16 GLN HE22 H 1 6.853 0.02 . 2 . . . . 16 GLN HE22 . 16515 1 118 . 1 1 16 16 GLN HG2 H 1 2.271 0.02 . 2 . . . . 16 GLN HG2 . 16515 1 119 . 1 1 16 16 GLN C C 13 173.615 0.1 . 1 . . . . 16 GLN C . 16515 1 120 . 1 1 16 16 GLN CA C 13 54.873 0.1 . 1 . . . . 16 GLN CA . 16515 1 121 . 1 1 16 16 GLN CB C 13 30.420 0.1 . 1 . . . . 16 GLN CB . 16515 1 122 . 1 1 16 16 GLN CG C 13 34.305 0.1 . 1 . . . . 16 GLN CG . 16515 1 123 . 1 1 16 16 GLN N N 15 126.421 0.1 . 1 . . . . 16 GLN N . 16515 1 124 . 1 1 16 16 GLN NE2 N 15 111.966 0.1 . 1 . . . . 16 GLN NE2 . 16515 1 125 . 1 1 17 17 LEU H H 1 8.784 0.02 . 1 . . . . 17 LEU H . 16515 1 126 . 1 1 17 17 LEU HA H 1 4.833 0.02 . 1 . . . . 17 LEU HA . 16515 1 127 . 1 1 17 17 LEU HB2 H 1 1.680 0.02 . 2 . . . . 17 LEU HB2 . 16515 1 128 . 1 1 17 17 LEU HB3 H 1 1.257 0.02 . 2 . . . . 17 LEU HB3 . 16515 1 129 . 1 1 17 17 LEU HD11 H 1 0.913 0.02 . 2 . . . . 17 LEU QD1 . 16515 1 130 . 1 1 17 17 LEU HD12 H 1 0.913 0.02 . 2 . . . . 17 LEU QD1 . 16515 1 131 . 1 1 17 17 LEU HD13 H 1 0.913 0.02 . 2 . . . . 17 LEU QD1 . 16515 1 132 . 1 1 17 17 LEU HG H 1 0.481 0.02 . 1 . . . . 17 LEU HG . 16515 1 133 . 1 1 17 17 LEU C C 13 174.671 0.1 . 1 . . . . 17 LEU C . 16515 1 134 . 1 1 17 17 LEU CA C 13 52.812 0.1 . 1 . . . . 17 LEU CA . 16515 1 135 . 1 1 17 17 LEU CB C 13 45.958 0.1 . 1 . . . . 17 LEU CB . 16515 1 136 . 1 1 17 17 LEU CD1 C 13 23.777 0.1 . 1 . . . . 17 LEU CD1 . 16515 1 137 . 1 1 17 17 LEU CG C 13 27.277 0.1 . 1 . . . . 17 LEU CG . 16515 1 138 . 1 1 17 17 LEU N N 15 122.040 0.1 . 1 . . . . 17 LEU N . 16515 1 139 . 1 1 18 18 LYS H H 1 8.821 0.02 . 1 . . . . 18 LYS H . 16515 1 140 . 1 1 18 18 LYS HA H 1 4.762 0.02 . 1 . . . . 18 LYS HA . 16515 1 141 . 1 1 18 18 LYS HB2 H 1 1.741 0.02 . 2 . . . . 18 LYS HB2 . 16515 1 142 . 1 1 18 18 LYS HB3 H 1 1.624 0.02 . 2 . . . . 18 LYS HB3 . 16515 1 143 . 1 1 18 18 LYS HE2 H 1 2.946 0.02 . 2 . . . . 18 LYS HE2 . 16515 1 144 . 1 1 18 18 LYS HG2 H 1 1.143 0.02 . 2 . . . . 18 LYS HG2 . 16515 1 145 . 1 1 18 18 LYS HG3 H 1 1.252 0.02 . 2 . . . . 18 LYS HG3 . 16515 1 146 . 1 1 18 18 LYS C C 13 174.989 0.1 . 1 . . . . 18 LYS C . 16515 1 147 . 1 1 18 18 LYS CA C 13 55.187 0.1 . 1 . . . . 18 LYS CA . 16515 1 148 . 1 1 18 18 LYS CB C 13 33.291 0.1 . 1 . . . . 18 LYS CB . 16515 1 149 . 1 1 18 18 LYS CE C 13 42.180 0.1 . 1 . . . . 18 LYS CE . 16515 1 150 . 1 1 18 18 LYS CG C 13 24.906 0.1 . 1 . . . . 18 LYS CG . 16515 1 151 . 1 1 18 18 LYS N N 15 123.789 0.1 . 1 . . . . 18 LYS N . 16515 1 152 . 1 1 19 19 LYS H H 1 8.652 0.02 . 1 . . . . 19 LYS H . 16515 1 153 . 1 1 19 19 LYS HA H 1 3.873 0.02 . 1 . . . . 19 LYS HA . 16515 1 154 . 1 1 19 19 LYS HB2 H 1 1.396 0.02 . 2 . . . . 19 LYS HB2 . 16515 1 155 . 1 1 19 19 LYS HB3 H 1 2.125 0.02 . 2 . . . . 19 LYS HB3 . 16515 1 156 . 1 1 19 19 LYS HD3 H 1 1.534 0.02 . 2 . . . . 19 LYS HD3 . 16515 1 157 . 1 1 19 19 LYS HE2 H 1 2.956 0.02 . 2 . . . . 19 LYS HE2 . 16515 1 158 . 1 1 19 19 LYS HG3 H 1 1.140 0.02 . 2 . . . . 19 LYS HG3 . 16515 1 159 . 1 1 19 19 LYS C C 13 175.894 0.1 . 1 . . . . 19 LYS C . 16515 1 160 . 1 1 19 19 LYS CA C 13 57.611 0.1 . 1 . . . . 19 LYS CA . 16515 1 161 . 1 1 19 19 LYS CB C 13 33.386 0.1 . 1 . . . . 19 LYS CB . 16515 1 162 . 1 1 19 19 LYS CD C 13 30.100 0.1 . 1 . . . . 19 LYS CD . 16515 1 163 . 1 1 19 19 LYS CE C 13 42.648 0.1 . 1 . . . . 19 LYS CE . 16515 1 164 . 1 1 19 19 LYS CG C 13 26.374 0.1 . 1 . . . . 19 LYS CG . 16515 1 165 . 1 1 19 19 LYS N N 15 127.141 0.1 . 1 . . . . 19 LYS N . 16515 1 166 . 1 1 20 20 GLY H H 1 7.871 0.02 . 1 . . . . 20 GLY H . 16515 1 167 . 1 1 20 20 GLY HA2 H 1 3.951 0.02 . 2 . . . . 20 GLY HA2 . 16515 1 168 . 1 1 20 20 GLY HA3 H 1 4.671 0.02 . 2 . . . . 20 GLY HA3 . 16515 1 169 . 1 1 20 20 GLY C C 13 175.224 0.1 . 1 . . . . 20 GLY C . 16515 1 170 . 1 1 20 20 GLY CA C 13 44.663 0.1 . 1 . . . . 20 GLY CA . 16515 1 171 . 1 1 20 20 GLY N N 15 116.090 0.1 . 1 . . . . 20 GLY N . 16515 1 172 . 1 1 21 21 THR HA H 1 4.035 0.02 . 1 . . . . 21 THR HA . 16515 1 173 . 1 1 21 21 THR HB H 1 4.306 0.02 . 1 . . . . 21 THR HB . 16515 1 174 . 1 1 21 21 THR HG21 H 1 1.333 0.02 . 1 . . . . 21 THR QG2 . 16515 1 175 . 1 1 21 21 THR HG22 H 1 1.333 0.02 . 1 . . . . 21 THR QG2 . 16515 1 176 . 1 1 21 21 THR HG23 H 1 1.333 0.02 . 1 . . . . 21 THR QG2 . 16515 1 177 . 1 1 21 21 THR CA C 13 64.923 0.1 . 1 . . . . 21 THR CA . 16515 1 178 . 1 1 21 21 THR CB C 13 68.807 0.1 . 1 . . . . 21 THR CB . 16515 1 179 . 1 1 21 21 THR CG2 C 13 22.422 0.1 . 1 . . . . 21 THR CG2 . 16515 1 180 . 1 1 22 22 GLU H H 1 8.385 0.02 . 1 . . . . 22 GLU H . 16515 1 181 . 1 1 22 22 GLU HA H 1 4.436 0.02 . 1 . . . . 22 GLU HA . 16515 1 182 . 1 1 22 22 GLU HB2 H 1 1.864 0.02 . 2 . . . . 22 GLU HB2 . 16515 1 183 . 1 1 22 22 GLU HB3 H 1 2.148 0.02 . 2 . . . . 22 GLU HB3 . 16515 1 184 . 1 1 22 22 GLU HG2 H 1 2.242 0.02 . 2 . . . . 22 GLU HG2 . 16515 1 185 . 1 1 22 22 GLU HG3 H 1 2.296 0.02 . 2 . . . . 22 GLU HG3 . 16515 1 186 . 1 1 22 22 GLU C C 13 176.414 0.1 . 1 . . . . 22 GLU C . 16515 1 187 . 1 1 22 22 GLU CA C 13 56.714 0.1 . 1 . . . . 22 GLU CA . 16515 1 188 . 1 1 22 22 GLU CB C 13 30.242 0.1 . 1 . . . . 22 GLU CB . 16515 1 189 . 1 1 22 22 GLU CG C 13 36.895 0.1 . 1 . . . . 22 GLU CG . 16515 1 190 . 1 1 22 22 GLU N N 15 118.460 0.1 . 1 . . . . 22 GLU N . 16515 1 191 . 1 1 23 23 GLY H H 1 7.812 0.02 . 1 . . . . 23 GLY H . 16515 1 192 . 1 1 23 23 GLY HA2 H 1 4.540 0.02 . 2 . . . . 23 GLY HA2 . 16515 1 193 . 1 1 23 23 GLY HA3 H 1 3.772 0.02 . 2 . . . . 23 GLY HA3 . 16515 1 194 . 1 1 23 23 GLY C C 13 176.447 0.1 . 1 . . . . 23 GLY C . 16515 1 195 . 1 1 23 23 GLY CA C 13 44.663 0.1 . 1 . . . . 23 GLY CA . 16515 1 196 . 1 1 23 23 GLY N N 15 105.642 0.1 . 1 . . . . 23 GLY N . 16515 1 197 . 1 1 24 24 LEU HA H 1 4.270 0.02 . 1 . . . . 24 LEU HA . 16515 1 198 . 1 1 24 24 LEU HB2 H 1 1.562 0.02 . 2 . . . . 24 LEU HB2 . 16515 1 199 . 1 1 24 24 LEU HB3 H 1 1.820 0.02 . 2 . . . . 24 LEU HB3 . 16515 1 200 . 1 1 24 24 LEU HD11 H 1 0.864 0.02 . 2 . . . . 24 LEU QD1 . 16515 1 201 . 1 1 24 24 LEU HD12 H 1 0.864 0.02 . 2 . . . . 24 LEU QD1 . 16515 1 202 . 1 1 24 24 LEU HD13 H 1 0.864 0.02 . 2 . . . . 24 LEU QD1 . 16515 1 203 . 1 1 24 24 LEU HD21 H 1 1.005 0.02 . 2 . . . . 24 LEU QD2 . 16515 1 204 . 1 1 24 24 LEU HD22 H 1 1.005 0.02 . 2 . . . . 24 LEU QD2 . 16515 1 205 . 1 1 24 24 LEU HD23 H 1 1.005 0.02 . 2 . . . . 24 LEU QD2 . 16515 1 206 . 1 1 24 24 LEU CA C 13 57.666 0.1 . 1 . . . . 24 LEU CA . 16515 1 207 . 1 1 24 24 LEU CB C 13 42.413 0.1 . 1 . . . . 24 LEU CB . 16515 1 208 . 1 1 24 24 LEU CD1 C 13 23.100 0.1 . 1 . . . . 24 LEU CD1 . 16515 1 209 . 1 1 24 24 LEU CD2 C 13 26.860 0.1 . 1 . . . . 24 LEU CD2 . 16515 1 210 . 1 1 25 25 GLY H H 1 9.033 0.02 . 1 . . . . 25 GLY H . 16515 1 211 . 1 1 25 25 GLY HA2 H 1 4.088 0.02 . 2 . . . . 25 GLY HA2 . 16515 1 212 . 1 1 25 25 GLY HA3 H 1 4.551 0.02 . 2 . . . . 25 GLY HA3 . 16515 1 213 . 1 1 25 25 GLY C C 13 179.246 0.1 . 1 . . . . 25 GLY C . 16515 1 214 . 1 1 25 25 GLY CA C 13 47.618 0.1 . 1 . . . . 25 GLY CA . 16515 1 215 . 1 1 25 25 GLY N N 15 104.941 0.1 . 1 . . . . 25 GLY N . 16515 1 216 . 1 1 26 26 PHE H H 1 7.586 0.02 . 1 . . . . 26 PHE H . 16515 1 217 . 1 1 26 26 PHE HA H 1 5.465 0.02 . 1 . . . . 26 PHE HA . 16515 1 218 . 1 1 26 26 PHE HB2 H 1 3.297 0.02 . 2 . . . . 26 PHE HB2 . 16515 1 219 . 1 1 26 26 PHE HB3 H 1 2.996 0.02 . 2 . . . . 26 PHE HB3 . 16515 1 220 . 1 1 26 26 PHE HD1 H 1 6.943 0.02 . 1 . . . . 26 PHE HD1 . 16515 1 221 . 1 1 26 26 PHE HD2 H 1 6.943 0.02 . 1 . . . . 26 PHE HD2 . 16515 1 222 . 1 1 26 26 PHE HE1 H 1 6.946 0.02 . 1 . . . . 26 PHE HE1 . 16515 1 223 . 1 1 26 26 PHE HE2 H 1 6.946 0.02 . 1 . . . . 26 PHE HE2 . 16515 1 224 . 1 1 26 26 PHE HZ H 1 6.971 0.02 . 1 . . . . 26 PHE HZ . 16515 1 225 . 1 1 26 26 PHE C C 13 175.525 0.1 . 1 . . . . 26 PHE C . 16515 1 226 . 1 1 26 26 PHE CA C 13 56.640 0.1 . 1 . . . . 26 PHE CA . 16515 1 227 . 1 1 26 26 PHE CB C 13 41.426 0.1 . 1 . . . . 26 PHE CB . 16515 1 228 . 1 1 26 26 PHE CD1 C 13 132.826 0.1 . 1 . . . . 26 PHE CD1 . 16515 1 229 . 1 1 26 26 PHE CE1 C 13 130.496 0.1 . 1 . . . . 26 PHE CE1 . 16515 1 230 . 1 1 26 26 PHE CZ C 13 128.942 0.1 . 1 . . . . 26 PHE CZ . 16515 1 231 . 1 1 26 26 PHE N N 15 115.363 0.1 . 1 . . . . 26 PHE N . 16515 1 232 . 1 1 27 27 SER H H 1 8.929 0.02 . 1 . . . . 27 SER H . 16515 1 233 . 1 1 27 27 SER HA H 1 5.157 0.02 . 1 . . . . 27 SER HA . 16515 1 234 . 1 1 27 27 SER HB2 H 1 3.947 0.02 . 2 . . . . 27 SER HB2 . 16515 1 235 . 1 1 27 27 SER HB3 H 1 4.106 0.02 . 2 . . . . 27 SER HB3 . 16515 1 236 . 1 1 27 27 SER C C 13 171.654 0.1 . 1 . . . . 27 SER C . 16515 1 237 . 1 1 27 27 SER CA C 13 55.022 0.1 . 1 . . . . 27 SER CA . 16515 1 238 . 1 1 27 27 SER CB C 13 66.845 0.1 . 1 . . . . 27 SER CB . 16515 1 239 . 1 1 27 27 SER N N 15 116.332 0.1 . 1 . . . . 27 SER N . 16515 1 240 . 1 1 28 28 ILE H H 1 8.797 0.02 . 1 . . . . 28 ILE H . 16515 1 241 . 1 1 28 28 ILE HA H 1 5.688 0.02 . 1 . . . . 28 ILE HA . 16515 1 242 . 1 1 28 28 ILE HB H 1 2.046 0.02 . 1 . . . . 28 ILE HB . 16515 1 243 . 1 1 28 28 ILE HD11 H 1 0.863 0.02 . 1 . . . . 28 ILE QD1 . 16515 1 244 . 1 1 28 28 ILE HD12 H 1 0.863 0.02 . 1 . . . . 28 ILE QD1 . 16515 1 245 . 1 1 28 28 ILE HD13 H 1 0.863 0.02 . 1 . . . . 28 ILE QD1 . 16515 1 246 . 1 1 28 28 ILE HG12 H 1 1.429 0.02 . 2 . . . . 28 ILE HG12 . 16515 1 247 . 1 1 28 28 ILE HG13 H 1 1.095 0.02 . 2 . . . . 28 ILE HG13 . 16515 1 248 . 1 1 28 28 ILE HG21 H 1 0.967 0.02 . 1 . . . . 28 ILE QG2 . 16515 1 249 . 1 1 28 28 ILE HG22 H 1 0.967 0.02 . 1 . . . . 28 ILE QG2 . 16515 1 250 . 1 1 28 28 ILE HG23 H 1 0.967 0.02 . 1 . . . . 28 ILE QG2 . 16515 1 251 . 1 1 28 28 ILE C C 13 175.224 0.1 . 1 . . . . 28 ILE C . 16515 1 252 . 1 1 28 28 ILE CA C 13 59.661 0.1 . 1 . . . . 28 ILE CA . 16515 1 253 . 1 1 28 28 ILE CB C 13 42.721 0.1 . 1 . . . . 28 ILE CB . 16515 1 254 . 1 1 28 28 ILE CD1 C 13 14.971 0.1 . 1 . . . . 28 ILE CD1 . 16515 1 255 . 1 1 28 28 ILE CG1 C 13 25.132 0.1 . 1 . . . . 28 ILE CG1 . 16515 1 256 . 1 1 28 28 ILE CG2 C 13 19.091 0.1 . 1 . . . . 28 ILE CG2 . 16515 1 257 . 1 1 28 28 ILE N N 15 114.517 0.1 . 1 . . . . 28 ILE N . 16515 1 258 . 1 1 29 29 THR H H 1 9.062 0.02 . 1 . . . . 29 THR H . 16515 1 259 . 1 1 29 29 THR HA H 1 4.729 0.02 . 1 . . . . 29 THR HA . 16515 1 260 . 1 1 29 29 THR HB H 1 4.194 0.02 . 1 . . . . 29 THR HB . 16515 1 261 . 1 1 29 29 THR C C 13 174.905 0.1 . 1 . . . . 29 THR C . 16515 1 262 . 1 1 29 29 THR CA C 13 60.742 0.1 . 1 . . . . 29 THR CA . 16515 1 263 . 1 1 29 29 THR CB C 13 70.236 0.1 . 1 . . . . 29 THR CB . 16515 1 264 . 1 1 29 29 THR N N 15 114.062 0.1 . 1 . . . . 29 THR N . 16515 1 265 . 1 1 30 30 SER H H 1 8.155 0.02 . 1 . . . . 30 SER H . 16515 1 266 . 1 1 30 30 SER HA H 1 5.298 0.02 . 1 . . . . 30 SER HA . 16515 1 267 . 1 1 30 30 SER HB2 H 1 3.924 0.02 . 2 . . . . 30 SER HB2 . 16515 1 268 . 1 1 30 30 SER HB3 H 1 3.843 0.02 . 2 . . . . 30 SER HB3 . 16515 1 269 . 1 1 30 30 SER C C 13 171.654 0.1 . 1 . . . . 30 SER C . 16515 1 270 . 1 1 30 30 SER CA C 13 57.338 0.1 . 1 . . . . 30 SER CA . 16515 1 271 . 1 1 30 30 SER CB C 13 65.704 0.1 . 1 . . . . 30 SER CB . 16515 1 272 . 1 1 30 30 SER N N 15 116.653 0.1 . 1 . . . . 30 SER N . 16515 1 273 . 1 1 31 31 ARG H H 1 8.633 0.02 . 1 . . . . 31 ARG H . 16515 1 274 . 1 1 31 31 ARG HA H 1 4.521 0.02 . 1 . . . . 31 ARG HA . 16515 1 275 . 1 1 31 31 ARG HB2 H 1 1.949 0.02 . 2 . . . . 31 ARG HB2 . 16515 1 276 . 1 1 31 31 ARG HB3 H 1 1.773 0.02 . 2 . . . . 31 ARG HB3 . 16515 1 277 . 1 1 31 31 ARG HD2 H 1 3.107 0.02 . 2 . . . . 31 ARG HD2 . 16515 1 278 . 1 1 31 31 ARG HD3 H 1 2.993 0.02 . 2 . . . . 31 ARG HD3 . 16515 1 279 . 1 1 31 31 ARG HG2 H 1 1.622 0.02 . 2 . . . . 31 ARG HG2 . 16515 1 280 . 1 1 31 31 ARG C C 13 174.352 0.1 . 1 . . . . 31 ARG C . 16515 1 281 . 1 1 31 31 ARG CA C 13 55.993 0.1 . 1 . . . . 31 ARG CA . 16515 1 282 . 1 1 31 31 ARG CB C 13 32.439 0.1 . 1 . . . . 31 ARG CB . 16515 1 283 . 1 1 31 31 ARG CD C 13 43.722 0.1 . 1 . . . . 31 ARG CD . 16515 1 284 . 1 1 31 31 ARG CG C 13 27.507 0.1 . 1 . . . . 31 ARG CG . 16515 1 285 . 1 1 31 31 ARG N N 15 121.933 0.1 . 1 . . . . 31 ARG N . 16515 1 286 . 1 1 32 32 ASP H H 1 8.365 0.02 . 1 . . . . 32 ASP H . 16515 1 287 . 1 1 32 32 ASP HA H 1 4.669 0.02 . 1 . . . . 32 ASP HA . 16515 1 288 . 1 1 32 32 ASP HB2 H 1 2.652 0.02 . 2 . . . . 32 ASP HB2 . 16515 1 289 . 1 1 32 32 ASP HB3 H 1 2.790 0.02 . 2 . . . . 32 ASP HB3 . 16515 1 290 . 1 1 32 32 ASP C C 13 175.157 0.1 . 1 . . . . 32 ASP C . 16515 1 291 . 1 1 32 32 ASP CA C 13 54.823 0.1 . 1 . . . . 32 ASP CA . 16515 1 292 . 1 1 32 32 ASP CB C 13 41.596 0.1 . 1 . . . . 32 ASP CB . 16515 1 293 . 1 1 32 32 ASP N N 15 120.912 0.1 . 1 . . . . 32 ASP N . 16515 1 294 . 1 1 33 33 VAL H H 1 8.149 0.02 . 1 . . . . 33 VAL H . 16515 1 295 . 1 1 33 33 VAL HA H 1 4.270 0.02 . 1 . . . . 33 VAL HA . 16515 1 296 . 1 1 33 33 VAL HB H 1 2.184 0.02 . 1 . . . . 33 VAL HB . 16515 1 297 . 1 1 33 33 VAL HG21 H 1 0.984 0.02 . 2 . . . . 33 VAL QG2 . 16515 1 298 . 1 1 33 33 VAL HG22 H 1 0.984 0.02 . 2 . . . . 33 VAL QG2 . 16515 1 299 . 1 1 33 33 VAL HG23 H 1 0.984 0.02 . 2 . . . . 33 VAL QG2 . 16515 1 300 . 1 1 33 33 VAL C C 13 176.179 0.1 . 1 . . . . 33 VAL C . 16515 1 301 . 1 1 33 33 VAL CA C 13 62.467 0.1 . 1 . . . . 33 VAL CA . 16515 1 302 . 1 1 33 33 VAL CB C 13 33.347 0.1 . 1 . . . . 33 VAL CB . 16515 1 303 . 1 1 33 33 VAL CG2 C 13 20.386 0.1 . 1 . . . . 33 VAL CG2 . 16515 1 304 . 1 1 33 33 VAL N N 15 119.149 0.1 . 1 . . . . 33 VAL N . 16515 1 305 . 1 1 34 34 THR H H 1 8.276 0.02 . 1 . . . . 34 THR H . 16515 1 306 . 1 1 34 34 THR HA H 1 4.428 0.02 . 1 . . . . 34 THR HA . 16515 1 307 . 1 1 34 34 THR HB H 1 4.227 0.02 . 1 . . . . 34 THR HB . 16515 1 308 . 1 1 34 34 THR HG21 H 1 1.241 0.02 . 1 . . . . 34 THR QG2 . 16515 1 309 . 1 1 34 34 THR HG22 H 1 1.241 0.02 . 1 . . . . 34 THR QG2 . 16515 1 310 . 1 1 34 34 THR HG23 H 1 1.241 0.02 . 1 . . . . 34 THR QG2 . 16515 1 311 . 1 1 34 34 THR C C 13 176.481 0.1 . 1 . . . . 34 THR C . 16515 1 312 . 1 1 34 34 THR CA C 13 62.221 0.1 . 1 . . . . 34 THR CA . 16515 1 313 . 1 1 34 34 THR CB C 13 70.236 0.1 . 1 . . . . 34 THR CB . 16515 1 314 . 1 1 34 34 THR CG2 C 13 21.632 0.1 . 1 . . . . 34 THR CG2 . 16515 1 315 . 1 1 34 34 THR N N 15 116.277 0.1 . 1 . . . . 34 THR N . 16515 1 316 . 1 1 35 35 ILE H H 1 8.129 0.02 . 1 . . . . 35 ILE H . 16515 1 317 . 1 1 35 35 ILE C C 13 175.006 0.1 . 1 . . . . 35 ILE C . 16515 1 318 . 1 1 35 35 ILE N N 15 122.153 0.1 . 1 . . . . 35 ILE N . 16515 1 319 . 1 1 36 36 GLY HA2 H 1 3.895 0.02 . 2 . . . . 36 GLY HA2 . 16515 1 320 . 1 1 36 36 GLY HA3 H 1 4.118 0.02 . 2 . . . . 36 GLY HA3 . 16515 1 321 . 1 1 36 36 GLY CA C 13 45.581 0.1 . 1 . . . . 36 GLY CA . 16515 1 322 . 1 1 37 37 GLY H H 1 8.253 0.02 . 1 . . . . 37 GLY H . 16515 1 323 . 1 1 37 37 GLY HA2 H 1 4.012 0.02 . 2 . . . . 37 GLY HA2 . 16515 1 324 . 1 1 37 37 GLY C C 13 174.956 0.1 . 1 . . . . 37 GLY C . 16515 1 325 . 1 1 37 37 GLY CA C 13 45.537 0.1 . 1 . . . . 37 GLY CA . 16515 1 326 . 1 1 37 37 GLY N N 15 108.339 0.1 . 1 . . . . 37 GLY N . 16515 1 327 . 1 1 38 38 SER H H 1 8.147 0.02 . 1 . . . . 38 SER H . 16515 1 328 . 1 1 38 38 SER HA H 1 4.588 0.02 . 1 . . . . 38 SER HA . 16515 1 329 . 1 1 38 38 SER HB2 H 1 3.813 0.02 . 2 . . . . 38 SER HB2 . 16515 1 330 . 1 1 38 38 SER HB3 H 1 3.985 0.02 . 2 . . . . 38 SER HB3 . 16515 1 331 . 1 1 38 38 SER C C 13 173.866 0.1 . 1 . . . . 38 SER C . 16515 1 332 . 1 1 38 38 SER CA C 13 58.019 0.1 . 1 . . . . 38 SER CA . 16515 1 333 . 1 1 38 38 SER CB C 13 64.958 0.1 . 1 . . . . 38 SER CB . 16515 1 334 . 1 1 38 38 SER N N 15 114.987 0.1 . 1 . . . . 38 SER N . 16515 1 335 . 1 1 39 39 ALA H H 1 8.486 0.02 . 1 . . . . 39 ALA H . 16515 1 336 . 1 1 39 39 ALA HA H 1 4.811 0.02 . 1 . . . . 39 ALA HA . 16515 1 337 . 1 1 39 39 ALA C C 13 173.732 0.1 . 1 . . . . 39 ALA C . 16515 1 338 . 1 1 39 39 ALA CA C 13 50.931 0.1 . 1 . . . . 39 ALA CA . 16515 1 339 . 1 1 39 39 ALA N N 15 127.845 0.1 . 1 . . . . 39 ALA N . 16515 1 340 . 1 1 40 40 PRO HA H 1 4.337 0.02 . 1 . . . . 40 PRO HA . 16515 1 341 . 1 1 40 40 PRO HB2 H 1 1.656 0.02 . 2 . . . . 40 PRO HB2 . 16515 1 342 . 1 1 40 40 PRO HB3 H 1 1.972 0.02 . 2 . . . . 40 PRO HB3 . 16515 1 343 . 1 1 40 40 PRO HD2 H 1 3.424 0.02 . 2 . . . . 40 PRO HD2 . 16515 1 344 . 1 1 40 40 PRO HD3 H 1 3.562 0.02 . 2 . . . . 40 PRO HD3 . 16515 1 345 . 1 1 40 40 PRO CA C 13 62.974 0.1 . 1 . . . . 40 PRO CA . 16515 1 346 . 1 1 40 40 PRO CB C 13 32.864 0.1 . 1 . . . . 40 PRO CB . 16515 1 347 . 1 1 40 40 PRO CD C 13 51.180 0.1 . 1 . . . . 40 PRO CD . 16515 1 348 . 1 1 41 41 ILE H H 1 8.633 0.02 . 1 . . . . 41 ILE H . 16515 1 349 . 1 1 41 41 ILE HA H 1 4.493 0.02 . 1 . . . . 41 ILE HA . 16515 1 350 . 1 1 41 41 ILE HB H 1 1.901 0.02 . 1 . . . . 41 ILE HB . 16515 1 351 . 1 1 41 41 ILE HD11 H 1 0.815 0.02 . 1 . . . . 41 ILE QD1 . 16515 1 352 . 1 1 41 41 ILE HD12 H 1 0.815 0.02 . 1 . . . . 41 ILE QD1 . 16515 1 353 . 1 1 41 41 ILE HD13 H 1 0.815 0.02 . 1 . . . . 41 ILE QD1 . 16515 1 354 . 1 1 41 41 ILE HG12 H 1 1.523 0.02 . 2 . . . . 41 ILE HG12 . 16515 1 355 . 1 1 41 41 ILE HG13 H 1 1.523 0.02 . 2 . . . . 41 ILE HG13 . 16515 1 356 . 1 1 41 41 ILE HG21 H 1 0.964 0.02 . 1 . . . . 41 ILE QG2 . 16515 1 357 . 1 1 41 41 ILE HG22 H 1 0.964 0.02 . 1 . . . . 41 ILE QG2 . 16515 1 358 . 1 1 41 41 ILE HG23 H 1 0.964 0.02 . 1 . . . . 41 ILE QG2 . 16515 1 359 . 1 1 41 41 ILE C C 13 174.604 0.1 . 1 . . . . 41 ILE C . 16515 1 360 . 1 1 41 41 ILE CA C 13 59.230 0.1 . 1 . . . . 41 ILE CA . 16515 1 361 . 1 1 41 41 ILE CB C 13 38.837 0.1 . 1 . . . . 41 ILE CB . 16515 1 362 . 1 1 41 41 ILE CD1 C 13 12.087 0.1 . 1 . . . . 41 ILE CD1 . 16515 1 363 . 1 1 41 41 ILE CG1 C 13 27.485 0.1 . 1 . . . . 41 ILE CG1 . 16515 1 364 . 1 1 41 41 ILE CG2 C 13 19.414 0.1 . 1 . . . . 41 ILE CG2 . 16515 1 365 . 1 1 41 41 ILE N N 15 121.922 0.1 . 1 . . . . 41 ILE N . 16515 1 366 . 1 1 42 42 TYR H H 1 8.841 0.02 . 1 . . . . 42 TYR H . 16515 1 367 . 1 1 42 42 TYR HA H 1 5.477 0.02 . 1 . . . . 42 TYR HA . 16515 1 368 . 1 1 42 42 TYR HB2 H 1 2.500 0.02 . 2 . . . . 42 TYR HB2 . 16515 1 369 . 1 1 42 42 TYR HB3 H 1 2.738 0.02 . 2 . . . . 42 TYR HB3 . 16515 1 370 . 1 1 42 42 TYR HD1 H 1 6.979 0.02 . 1 . . . . 42 TYR HD1 . 16515 1 371 . 1 1 42 42 TYR HD2 H 1 6.979 0.02 . 1 . . . . 42 TYR HD2 . 16515 1 372 . 1 1 42 42 TYR HE1 H 1 6.823 0.02 . 1 . . . . 42 TYR HE1 . 16515 1 373 . 1 1 42 42 TYR HE2 H 1 6.823 0.02 . 1 . . . . 42 TYR HE2 . 16515 1 374 . 1 1 42 42 TYR C C 13 175.509 0.1 . 1 . . . . 42 TYR C . 16515 1 375 . 1 1 42 42 TYR CA C 13 56.080 0.1 . 1 . . . . 42 TYR CA . 16515 1 376 . 1 1 42 42 TYR CB C 13 42.721 0.1 . 1 . . . . 42 TYR CB . 16515 1 377 . 1 1 42 42 TYR CD1 C 13 133.603 0.1 . 1 . . . . 42 TYR CD1 . 16515 1 378 . 1 1 42 42 TYR CE1 C 13 118.066 0.1 . 1 . . . . 42 TYR CE1 . 16515 1 379 . 1 1 42 42 TYR N N 15 123.501 0.1 . 1 . . . . 42 TYR N . 16515 1 380 . 1 1 43 43 VAL H H 1 9.092 0.02 . 1 . . . . 43 VAL H . 16515 1 381 . 1 1 43 43 VAL HA H 1 4.226 0.02 . 1 . . . . 43 VAL HA . 16515 1 382 . 1 1 43 43 VAL HB H 1 2.291 0.02 . 1 . . . . 43 VAL HB . 16515 1 383 . 1 1 43 43 VAL HG21 H 1 0.796 0.02 . 2 . . . . 43 VAL QG2 . 16515 1 384 . 1 1 43 43 VAL HG22 H 1 0.796 0.02 . 2 . . . . 43 VAL QG2 . 16515 1 385 . 1 1 43 43 VAL HG23 H 1 0.796 0.02 . 2 . . . . 43 VAL QG2 . 16515 1 386 . 1 1 43 43 VAL C C 13 176.380 0.1 . 1 . . . . 43 VAL C . 16515 1 387 . 1 1 43 43 VAL CA C 13 63.836 0.1 . 1 . . . . 43 VAL CA . 16515 1 388 . 1 1 43 43 VAL CB C 13 32.162 0.1 . 1 . . . . 43 VAL CB . 16515 1 389 . 1 1 43 43 VAL CG2 C 13 21.858 0.1 . 1 . . . . 43 VAL CG2 . 16515 1 390 . 1 1 43 43 VAL N N 15 120.181 0.1 . 1 . . . . 43 VAL N . 16515 1 391 . 1 1 44 44 LYS H H 1 9.491 0.02 . 1 . . . . 44 LYS H . 16515 1 392 . 1 1 44 44 LYS HA H 1 4.324 0.02 . 1 . . . . 44 LYS HA . 16515 1 393 . 1 1 44 44 LYS HB2 H 1 1.972 0.02 . 2 . . . . 44 LYS HB2 . 16515 1 394 . 1 1 44 44 LYS HB3 H 1 1.325 0.02 . 2 . . . . 44 LYS HB3 . 16515 1 395 . 1 1 44 44 LYS HD2 H 1 1.625 0.02 . 2 . . . . 44 LYS HD2 . 16515 1 396 . 1 1 44 44 LYS HE2 H 1 2.980 0.02 . 2 . . . . 44 LYS HE2 . 16515 1 397 . 1 1 44 44 LYS C C 13 176.397 0.1 . 1 . . . . 44 LYS C . 16515 1 398 . 1 1 44 44 LYS CA C 13 57.611 0.1 . 1 . . . . 44 LYS CA . 16515 1 399 . 1 1 44 44 LYS CB C 13 33.010 0.1 . 1 . . . . 44 LYS CB . 16515 1 400 . 1 1 44 44 LYS CD C 13 29.449 0.1 . 1 . . . . 44 LYS CD . 16515 1 401 . 1 1 44 44 LYS CE C 13 42.293 0.1 . 1 . . . . 44 LYS CE . 16515 1 402 . 1 1 44 44 LYS N N 15 134.68 0.1 . 1 . . . . 44 LYS N . 16515 1 403 . 1 1 45 45 ASN H H 1 7.392 0.02 . 1 . . . . 45 ASN H . 16515 1 404 . 1 1 45 45 ASN HA H 1 4.962 0.02 . 1 . . . . 45 ASN HA . 16515 1 405 . 1 1 45 45 ASN HB2 H 1 2.538 0.02 . 2 . . . . 45 ASN HB2 . 16515 1 406 . 1 1 45 45 ASN HB3 H 1 2.664 0.02 . 2 . . . . 45 ASN HB3 . 16515 1 407 . 1 1 45 45 ASN HD21 H 1 7.583 0.02 . 2 . . . . 45 ASN HD21 . 16515 1 408 . 1 1 45 45 ASN HD22 H 1 6.908 0.02 . 2 . . . . 45 ASN HD22 . 16515 1 409 . 1 1 45 45 ASN C C 13 174.352 0.1 . 1 . . . . 45 ASN C . 16515 1 410 . 1 1 45 45 ASN CA C 13 52.552 0.1 . 1 . . . . 45 ASN CA . 16515 1 411 . 1 1 45 45 ASN CB C 13 42.074 0.1 . 1 . . . . 45 ASN CB . 16515 1 412 . 1 1 45 45 ASN N N 15 112.003 0.1 . 1 . . . . 45 ASN N . 16515 1 413 . 1 1 45 45 ASN ND2 N 15 112.968 0.1 . 1 . . . . 45 ASN ND2 . 16515 1 414 . 1 1 46 46 ILE H H 1 8.583 0.02 . 1 . . . . 46 ILE H . 16515 1 415 . 1 1 46 46 ILE HA H 1 4.406 0.02 . 1 . . . . 46 ILE HA . 16515 1 416 . 1 1 46 46 ILE HB H 1 2.085 0.02 . 1 . . . . 46 ILE HB . 16515 1 417 . 1 1 46 46 ILE HD11 H 1 0.448 0.02 . 1 . . . . 46 ILE QD1 . 16515 1 418 . 1 1 46 46 ILE HD12 H 1 0.448 0.02 . 1 . . . . 46 ILE QD1 . 16515 1 419 . 1 1 46 46 ILE HD13 H 1 0.448 0.02 . 1 . . . . 46 ILE QD1 . 16515 1 420 . 1 1 46 46 ILE HG12 H 1 1.440 0.02 . 2 . . . . 46 ILE HG12 . 16515 1 421 . 1 1 46 46 ILE HG13 H 1 1.440 0.02 . 2 . . . . 46 ILE HG13 . 16515 1 422 . 1 1 46 46 ILE HG21 H 1 0.976 0.02 . 1 . . . . 46 ILE QG2 . 16515 1 423 . 1 1 46 46 ILE HG22 H 1 0.976 0.02 . 1 . . . . 46 ILE QG2 . 16515 1 424 . 1 1 46 46 ILE HG23 H 1 0.976 0.02 . 1 . . . . 46 ILE QG2 . 16515 1 425 . 1 1 46 46 ILE C C 13 173.045 0.1 . 1 . . . . 46 ILE C . 16515 1 426 . 1 1 46 46 ILE CA C 13 58.906 0.1 . 1 . . . . 46 ILE CA . 16515 1 427 . 1 1 46 46 ILE CB C 13 35.923 0.1 . 1 . . . . 46 ILE CB . 16515 1 428 . 1 1 46 46 ILE CD1 C 13 10.677 0.1 . 1 . . . . 46 ILE CD1 . 16515 1 429 . 1 1 46 46 ILE CG1 C 13 26.212 0.1 . 1 . . . . 46 ILE CG1 . 16515 1 430 . 1 1 46 46 ILE CG2 C 13 17.496 0.1 . 1 . . . . 46 ILE CG2 . 16515 1 431 . 1 1 46 46 ILE N N 15 121.914 0.1 . 1 . . . . 46 ILE N . 16515 1 432 . 1 1 47 47 LEU H H 1 8.062 0.02 . 1 . . . . 47 LEU H . 16515 1 433 . 1 1 47 47 LEU HA H 1 4.469 0.02 . 1 . . . . 47 LEU HA . 16515 1 434 . 1 1 47 47 LEU HB2 H 1 1.558 0.02 . 2 . . . . 47 LEU HB2 . 16515 1 435 . 1 1 47 47 LEU HB3 H 1 1.849 0.02 . 2 . . . . 47 LEU HB3 . 16515 1 436 . 1 1 47 47 LEU C C 13 176.162 0.1 . 1 . . . . 47 LEU C . 16515 1 437 . 1 1 47 47 LEU CA C 13 54.168 0.1 . 1 . . . . 47 LEU CA . 16515 1 438 . 1 1 47 47 LEU CB C 13 40.249 0.1 . 1 . . . . 47 LEU CB . 16515 1 439 . 1 1 47 47 LEU N N 15 128.956 0.1 . 1 . . . . 47 LEU N . 16515 1 440 . 1 1 48 48 PRO HA H 1 4.377 0.02 . 1 . . . . 48 PRO HA . 16515 1 441 . 1 1 48 48 PRO HB2 H 1 1.996 0.02 . 2 . . . . 48 PRO HB2 . 16515 1 442 . 1 1 48 48 PRO HB3 H 1 2.375 0.02 . 2 . . . . 48 PRO HB3 . 16515 1 443 . 1 1 48 48 PRO HD2 H 1 3.786 0.02 . 2 . . . . 48 PRO HD2 . 16515 1 444 . 1 1 48 48 PRO HD3 H 1 3.786 0.02 . 2 . . . . 48 PRO HD3 . 16515 1 445 . 1 1 48 48 PRO HG2 H 1 2.054 0.02 . 2 . . . . 48 PRO HG2 . 16515 1 446 . 1 1 48 48 PRO HG3 H 1 2.054 0.02 . 2 . . . . 48 PRO HG3 . 16515 1 447 . 1 1 48 48 PRO CA C 13 64.409 0.1 . 1 . . . . 48 PRO CA . 16515 1 448 . 1 1 48 48 PRO CB C 13 32.275 0.1 . 1 . . . . 48 PRO CB . 16515 1 449 . 1 1 48 48 PRO CD C 13 50.490 0.1 . 1 . . . . 48 PRO CD . 16515 1 450 . 1 1 48 48 PRO CG C 13 27.616 0.1 . 1 . . . . 48 PRO CG . 16515 1 451 . 1 1 49 49 ARG H H 1 7.177 0.02 . 1 . . . . 49 ARG H . 16515 1 452 . 1 1 49 49 ARG HA H 1 4.572 0.02 . 1 . . . . 49 ARG HA . 16515 1 453 . 1 1 49 49 ARG HB2 H 1 1.779 0.02 . 2 . . . . 49 ARG HB2 . 16515 1 454 . 1 1 49 49 ARG HD2 H 1 3.240 0.02 . 2 . . . . 49 ARG HD2 . 16515 1 455 . 1 1 49 49 ARG HG2 H 1 1.595 0.02 . 2 . . . . 49 ARG HG2 . 16515 1 456 . 1 1 49 49 ARG C C 13 176.062 0.1 . 1 . . . . 49 ARG C . 16515 1 457 . 1 1 49 49 ARG CA C 13 54.754 0.1 . 1 . . . . 49 ARG CA . 16515 1 458 . 1 1 49 49 ARG CB C 13 33.460 0.1 . 1 . . . . 49 ARG CB . 16515 1 459 . 1 1 49 49 ARG CD C 13 44.038 0.1 . 1 . . . . 49 ARG CD . 16515 1 460 . 1 1 49 49 ARG CG C 13 26.860 0.1 . 1 . . . . 49 ARG CG . 16515 1 461 . 1 1 49 49 ARG N N 15 114.299 0.1 . 1 . . . . 49 ARG N . 16515 1 462 . 1 1 50 50 GLY H H 1 8.390 0.02 . 1 . . . . 50 GLY H . 16515 1 463 . 1 1 50 50 GLY HA2 H 1 4.380 0.02 . 2 . . . . 50 GLY HA2 . 16515 1 464 . 1 1 50 50 GLY HA3 H 1 3.511 0.02 . 2 . . . . 50 GLY HA3 . 16515 1 465 . 1 1 50 50 GLY C C 13 174.888 0.1 . 1 . . . . 50 GLY C . 16515 1 466 . 1 1 50 50 GLY CA C 13 44.026 0.1 . 1 . . . . 50 GLY CA . 16515 1 467 . 1 1 50 50 GLY N N 15 108.532 0.1 . 1 . . . . 50 GLY N . 16515 1 468 . 1 1 51 51 ALA H H 1 7.853 0.02 . 1 . . . . 51 ALA H . 16515 1 469 . 1 1 51 51 ALA HA H 1 4.217 0.02 . 1 . . . . 51 ALA HA . 16515 1 470 . 1 1 51 51 ALA HB1 H 1 1.714 0.02 . 1 . . . . 51 ALA QB . 16515 1 471 . 1 1 51 51 ALA HB2 H 1 1.714 0.02 . 1 . . . . 51 ALA QB . 16515 1 472 . 1 1 51 51 ALA HB3 H 1 1.714 0.02 . 1 . . . . 51 ALA QB . 16515 1 473 . 1 1 51 51 ALA C C 13 174.637 0.1 . 1 . . . . 51 ALA C . 16515 1 474 . 1 1 51 51 ALA CA C 13 55.250 0.1 . 1 . . . . 51 ALA CA . 16515 1 475 . 1 1 51 51 ALA CB C 13 20.062 0.1 . 1 . . . . 51 ALA CB . 16515 1 476 . 1 1 51 51 ALA N N 15 118.584 0.1 . 1 . . . . 51 ALA N . 16515 1 477 . 1 1 52 52 ALA H H 1 8.647 0.02 . 1 . . . . 52 ALA H . 16515 1 478 . 1 1 52 52 ALA HA H 1 4.277 0.02 . 1 . . . . 52 ALA HA . 16515 1 479 . 1 1 52 52 ALA HB1 H 1 1.597 0.02 . 1 . . . . 52 ALA QB . 16515 1 480 . 1 1 52 52 ALA HB2 H 1 1.597 0.02 . 1 . . . . 52 ALA QB . 16515 1 481 . 1 1 52 52 ALA HB3 H 1 1.597 0.02 . 1 . . . . 52 ALA QB . 16515 1 482 . 1 1 52 52 ALA C C 13 181.257 0.1 . 1 . . . . 52 ALA C . 16515 1 483 . 1 1 52 52 ALA CA C 13 55.923 0.1 . 1 . . . . 52 ALA CA . 16515 1 484 . 1 1 52 52 ALA CB C 13 18.501 0.1 . 1 . . . . 52 ALA CB . 16515 1 485 . 1 1 52 52 ALA N N 15 118.608 0.1 . 1 . . . . 52 ALA N . 16515 1 486 . 1 1 53 53 ILE H H 1 9.711 0.02 . 1 . . . . 53 ILE H . 16515 1 487 . 1 1 53 53 ILE HA H 1 4.106 0.02 . 1 . . . . 53 ILE HA . 16515 1 488 . 1 1 53 53 ILE HB H 1 2.030 0.02 . 1 . . . . 53 ILE HB . 16515 1 489 . 1 1 53 53 ILE HD11 H 1 0.921 0.02 . 1 . . . . 53 ILE QD1 . 16515 1 490 . 1 1 53 53 ILE HD12 H 1 0.921 0.02 . 1 . . . . 53 ILE QD1 . 16515 1 491 . 1 1 53 53 ILE HD13 H 1 0.921 0.02 . 1 . . . . 53 ILE QD1 . 16515 1 492 . 1 1 53 53 ILE HG12 H 1 1.275 0.02 . 2 . . . . 53 ILE HG12 . 16515 1 493 . 1 1 53 53 ILE HG13 H 1 1.489 0.02 . 2 . . . . 53 ILE HG13 . 16515 1 494 . 1 1 53 53 ILE HG21 H 1 1.015 0.02 . 1 . . . . 53 ILE QG2 . 16515 1 495 . 1 1 53 53 ILE HG22 H 1 1.015 0.02 . 1 . . . . 53 ILE QG2 . 16515 1 496 . 1 1 53 53 ILE HG23 H 1 1.015 0.02 . 1 . . . . 53 ILE QG2 . 16515 1 497 . 1 1 53 53 ILE C C 13 181.928 0.1 . 1 . . . . 53 ILE C . 16515 1 498 . 1 1 53 53 ILE CA C 13 63.990 0.1 . 1 . . . . 53 ILE CA . 16515 1 499 . 1 1 53 53 ILE CB C 13 37.218 0.1 . 1 . . . . 53 ILE CB . 16515 1 500 . 1 1 53 53 ILE CD1 C 13 14.438 0.1 . 1 . . . . 53 ILE CD1 . 16515 1 501 . 1 1 53 53 ILE CG1 C 13 30.420 0.1 . 1 . . . . 53 ILE CG1 . 16515 1 502 . 1 1 53 53 ILE CG2 C 13 16.825 0.1 . 1 . . . . 53 ILE CG2 . 16515 1 503 . 1 1 53 53 ILE N N 15 124.170 0.1 . 1 . . . . 53 ILE N . 16515 1 504 . 1 1 54 54 GLN H H 1 7.098 0.02 . 1 . . . . 54 GLN H . 16515 1 505 . 1 1 54 54 GLN HA H 1 4.094 0.02 . 1 . . . . 54 GLN HA . 16515 1 506 . 1 1 54 54 GLN HB2 H 1 2.183 0.02 . 2 . . . . 54 GLN HB2 . 16515 1 507 . 1 1 54 54 GLN HE21 H 1 7.524 0.02 . 2 . . . . 54 GLN HE21 . 16515 1 508 . 1 1 54 54 GLN HE22 H 1 6.887 0.02 . 2 . . . . 54 GLN HE22 . 16515 1 509 . 1 1 54 54 GLN HG2 H 1 2.488 0.02 . 2 . . . . 54 GLN HG2 . 16515 1 510 . 1 1 54 54 GLN HG3 H 1 2.647 0.02 . 2 . . . . 54 GLN HG3 . 16515 1 511 . 1 1 54 54 GLN C C 13 176.397 0.1 . 1 . . . . 54 GLN C . 16515 1 512 . 1 1 54 54 GLN CA C 13 58.686 0.1 . 1 . . . . 54 GLN CA . 16515 1 513 . 1 1 54 54 GLN CB C 13 28.944 0.1 . 1 . . . . 54 GLN CB . 16515 1 514 . 1 1 54 54 GLN CG C 13 34.390 0.1 . 1 . . . . 54 GLN CG . 16515 1 515 . 1 1 54 54 GLN N N 15 122.393 0.1 . 1 . . . . 54 GLN N . 16515 1 516 . 1 1 54 54 GLN NE2 N 15 112.000 0.1 . 1 . . . . 54 GLN NE2 . 16515 1 517 . 1 1 55 55 ASP H H 1 7.938 0.02 . 1 . . . . 55 ASP H . 16515 1 518 . 1 1 55 55 ASP HA H 1 4.499 0.02 . 1 . . . . 55 ASP HA . 16515 1 519 . 1 1 55 55 ASP HB2 H 1 2.558 0.02 . 2 . . . . 55 ASP HB2 . 16515 1 520 . 1 1 55 55 ASP HB3 H 1 2.858 0.02 . 2 . . . . 55 ASP HB3 . 16515 1 521 . 1 1 55 55 ASP C C 13 177.821 0.1 . 1 . . . . 55 ASP C . 16515 1 522 . 1 1 55 55 ASP CA C 13 57.010 0.1 . 1 . . . . 55 ASP CA . 16515 1 523 . 1 1 55 55 ASP CB C 13 44.340 0.1 . 1 . . . . 55 ASP CB . 16515 1 524 . 1 1 55 55 ASP N N 15 118.410 0.1 . 1 . . . . 55 ASP N . 16515 1 525 . 1 1 56 56 GLY H H 1 7.811 0.02 . 1 . . . . 56 GLY H . 16515 1 526 . 1 1 56 56 GLY HA2 H 1 3.854 0.02 . 2 . . . . 56 GLY HA2 . 16515 1 527 . 1 1 56 56 GLY HA3 H 1 4.125 0.02 . 2 . . . . 56 GLY HA3 . 16515 1 528 . 1 1 56 56 GLY C C 13 177.821 0.1 . 1 . . . . 56 GLY C . 16515 1 529 . 1 1 56 56 GLY CA C 13 46.677 0.1 . 1 . . . . 56 GLY CA . 16515 1 530 . 1 1 56 56 GLY N N 15 103.288 0.1 . 1 . . . . 56 GLY N . 16515 1 531 . 1 1 57 57 ARG H H 1 7.861 0.02 . 1 . . . . 57 ARG H . 16515 1 532 . 1 1 57 57 ARG HA H 1 4.302 0.02 . 1 . . . . 57 ARG HA . 16515 1 533 . 1 1 57 57 ARG HB2 H 1 1.574 0.02 . 2 . . . . 57 ARG HB2 . 16515 1 534 . 1 1 57 57 ARG HB3 H 1 1.944 0.02 . 2 . . . . 57 ARG HB3 . 16515 1 535 . 1 1 57 57 ARG HD2 H 1 3.134 0.02 . 2 . . . . 57 ARG HD2 . 16515 1 536 . 1 1 57 57 ARG HD3 H 1 3.433 0.02 . 2 . . . . 57 ARG HD3 . 16515 1 537 . 1 1 57 57 ARG HG2 H 1 1.726 0.02 . 2 . . . . 57 ARG HG2 . 16515 1 538 . 1 1 57 57 ARG C C 13 172.928 0.1 . 1 . . . . 57 ARG C . 16515 1 539 . 1 1 57 57 ARG CA C 13 58.874 0.1 . 1 . . . . 57 ARG CA . 16515 1 540 . 1 1 57 57 ARG CB C 13 33.658 0.1 . 1 . . . . 57 ARG CB . 16515 1 541 . 1 1 57 57 ARG CD C 13 44.438 0.1 . 1 . . . . 57 ARG CD . 16515 1 542 . 1 1 57 57 ARG CG C 13 27.503 0.1 . 1 . . . . 57 ARG CG . 16515 1 543 . 1 1 57 57 ARG N N 15 118.579 0.1 . 1 . . . . 57 ARG N . 16515 1 544 . 1 1 58 58 LEU H H 1 9.387 0.02 . 1 . . . . 58 LEU H . 16515 1 545 . 1 1 58 58 LEU HA H 1 3.712 0.02 . 1 . . . . 58 LEU HA . 16515 1 546 . 1 1 58 58 LEU HB2 H 1 1.249 0.02 . 2 . . . . 58 LEU HB2 . 16515 1 547 . 1 1 58 58 LEU HB3 H 1 1.421 0.02 . 2 . . . . 58 LEU HB3 . 16515 1 548 . 1 1 58 58 LEU HD11 H 1 0.710 0.02 . 2 . . . . 58 LEU QD1 . 16515 1 549 . 1 1 58 58 LEU HD12 H 1 0.710 0.02 . 2 . . . . 58 LEU QD1 . 16515 1 550 . 1 1 58 58 LEU HD13 H 1 0.710 0.02 . 2 . . . . 58 LEU QD1 . 16515 1 551 . 1 1 58 58 LEU HD21 H 1 -0.124 0.02 . 2 . . . . 58 LEU QD2 . 16515 1 552 . 1 1 58 58 LEU HD22 H 1 -0.124 0.02 . 2 . . . . 58 LEU QD2 . 16515 1 553 . 1 1 58 58 LEU HD23 H 1 -0.124 0.02 . 2 . . . . 58 LEU QD2 . 16515 1 554 . 1 1 58 58 LEU HG H 1 1.333 0.02 . 1 . . . . 58 LEU HG . 16515 1 555 . 1 1 58 58 LEU C C 13 177.201 0.1 . 1 . . . . 58 LEU C . 16515 1 556 . 1 1 58 58 LEU CA C 13 55.757 0.1 . 1 . . . . 58 LEU CA . 16515 1 557 . 1 1 58 58 LEU CB C 13 44.340 0.1 . 1 . . . . 58 LEU CB . 16515 1 558 . 1 1 58 58 LEU CD1 C 13 24.664 0.1 . 1 . . . . 58 LEU CD1 . 16515 1 559 . 1 1 58 58 LEU CD2 C 13 25.471 0.1 . 1 . . . . 58 LEU CD2 . 16515 1 560 . 1 1 58 58 LEU CG C 13 26.653 0.1 . 1 . . . . 58 LEU CG . 16515 1 561 . 1 1 58 58 LEU N N 15 123.992 0.1 . 1 . . . . 58 LEU N . 16515 1 562 . 1 1 59 59 LYS H H 1 8.348 0.02 . 1 . . . . 59 LYS H . 16515 1 563 . 1 1 59 59 LYS HA H 1 4.594 0.02 . 1 . . . . 59 LYS HA . 16515 1 564 . 1 1 59 59 LYS HB2 H 1 1.640 0.02 . 2 . . . . 59 LYS HB2 . 16515 1 565 . 1 1 59 59 LYS HB3 H 1 1.712 0.02 . 2 . . . . 59 LYS HB3 . 16515 1 566 . 1 1 59 59 LYS HD2 H 1 1.354 0.02 . 2 . . . . 59 LYS HD2 . 16515 1 567 . 1 1 59 59 LYS HD3 H 1 1.354 0.02 . 2 . . . . 59 LYS HD3 . 16515 1 568 . 1 1 59 59 LYS HE2 H 1 2.947 0.02 . 2 . . . . 59 LYS HE2 . 16515 1 569 . 1 1 59 59 LYS C C 13 174.788 0.1 . 1 . . . . 59 LYS C . 16515 1 570 . 1 1 59 59 LYS CA C 13 54.361 0.1 . 1 . . . . 59 LYS CA . 16515 1 571 . 1 1 59 59 LYS CB C 13 37.016 0.1 . 1 . . . . 59 LYS CB . 16515 1 572 . 1 1 59 59 LYS CD C 13 29.535 0.1 . 1 . . . . 59 LYS CD . 16515 1 573 . 1 1 59 59 LYS CE C 13 42.631 0.1 . 1 . . . . 59 LYS CE . 16515 1 574 . 1 1 59 59 LYS N N 15 123.447 0.1 . 1 . . . . 59 LYS N . 16515 1 575 . 1 1 60 60 ALA H H 1 8.502 0.02 . 1 . . . . 60 ALA H . 16515 1 576 . 1 1 60 60 ALA HA H 1 3.680 0.02 . 1 . . . . 60 ALA HA . 16515 1 577 . 1 1 60 60 ALA HB1 H 1 1.351 0.02 . 1 . . . . 60 ALA QB . 16515 1 578 . 1 1 60 60 ALA HB2 H 1 1.351 0.02 . 1 . . . . 60 ALA QB . 16515 1 579 . 1 1 60 60 ALA HB3 H 1 1.351 0.02 . 1 . . . . 60 ALA QB . 16515 1 580 . 1 1 60 60 ALA C C 13 175.894 0.1 . 1 . . . . 60 ALA C . 16515 1 581 . 1 1 60 60 ALA CA C 13 53.708 0.1 . 1 . . . . 60 ALA CA . 16515 1 582 . 1 1 60 60 ALA CB C 13 18.120 0.1 . 1 . . . . 60 ALA CB . 16515 1 583 . 1 1 60 60 ALA N N 15 123.185 0.1 . 1 . . . . 60 ALA N . 16515 1 584 . 1 1 61 61 GLY H H 1 9.036 0.02 . 1 . . . . 61 GLY H . 16515 1 585 . 1 1 61 61 GLY HA2 H 1 3.573 0.02 . 2 . . . . 61 GLY HA2 . 16515 1 586 . 1 1 61 61 GLY HA3 H 1 4.477 0.02 . 2 . . . . 61 GLY HA3 . 16515 1 587 . 1 1 61 61 GLY C C 13 179.112 0.1 . 1 . . . . 61 GLY C . 16515 1 588 . 1 1 61 61 GLY CA C 13 44.987 0.1 . 1 . . . . 61 GLY CA . 16515 1 589 . 1 1 61 61 GLY N N 15 112.570 0.1 . 1 . . . . 61 GLY N . 16515 1 590 . 1 1 62 62 ASP H H 1 7.905 0.02 . 1 . . . . 62 ASP H . 16515 1 591 . 1 1 62 62 ASP HA H 1 4.695 0.02 . 1 . . . . 62 ASP HA . 16515 1 592 . 1 1 62 62 ASP HB2 H 1 2.658 0.02 . 2 . . . . 62 ASP HB2 . 16515 1 593 . 1 1 62 62 ASP HB3 H 1 2.254 0.02 . 2 . . . . 62 ASP HB3 . 16515 1 594 . 1 1 62 62 ASP CA C 13 56.245 0.1 . 1 . . . . 62 ASP CA . 16515 1 595 . 1 1 62 62 ASP CB C 13 40.896 0.1 . 1 . . . . 62 ASP CB . 16515 1 596 . 1 1 62 62 ASP N N 15 123.554 0.1 . 1 . . . . 62 ASP N . 16515 1 597 . 1 1 63 63 ARG H H 1 8.849 0.02 . 1 . . . . 63 ARG H . 16515 1 598 . 1 1 63 63 ARG HA H 1 4.692 0.02 . 1 . . . . 63 ARG HA . 16515 1 599 . 1 1 63 63 ARG HB2 H 1 1.924 0.02 . 2 . . . . 63 ARG HB2 . 16515 1 600 . 1 1 63 63 ARG HB3 H 1 2.148 0.02 . 2 . . . . 63 ARG HB3 . 16515 1 601 . 1 1 63 63 ARG HD2 H 1 2.909 0.02 . 2 . . . . 63 ARG HD2 . 16515 1 602 . 1 1 63 63 ARG HD3 H 1 3.138 0.02 . 2 . . . . 63 ARG HD3 . 16515 1 603 . 1 1 63 63 ARG HG2 H 1 1.218 0.02 . 2 . . . . 63 ARG HG2 . 16515 1 604 . 1 1 63 63 ARG HG3 H 1 1.218 0.02 . 2 . . . . 63 ARG HG3 . 16515 1 605 . 1 1 63 63 ARG CA C 13 55.305 0.1 . 1 . . . . 63 ARG CA . 16515 1 606 . 1 1 63 63 ARG CB C 13 32.686 0.1 . 1 . . . . 63 ARG CB . 16515 1 607 . 1 1 63 63 ARG CD C 13 44.340 0.1 . 1 . . . . 63 ARG CD . 16515 1 608 . 1 1 63 63 ARG CG C 13 27.277 0.1 . 1 . . . . 63 ARG CG . 16515 1 609 . 1 1 63 63 ARG N N 15 123.554 0.1 . 1 . . . . 63 ARG N . 16515 1 610 . 1 1 64 64 LEU H H 1 8.834 0.02 . 1 . . . . 64 LEU H . 16515 1 611 . 1 1 64 64 LEU HA H 1 4.352 0.02 . 1 . . . . 64 LEU HA . 16515 1 612 . 1 1 64 64 LEU HB2 H 1 1.255 0.02 . 2 . . . . 64 LEU HB2 . 16515 1 613 . 1 1 64 64 LEU HB3 H 1 1.456 0.02 . 2 . . . . 64 LEU HB3 . 16515 1 614 . 1 1 64 64 LEU HD11 H 1 1.516 0.02 . 2 . . . . 64 LEU QD1 . 16515 1 615 . 1 1 64 64 LEU HD12 H 1 1.516 0.02 . 2 . . . . 64 LEU QD1 . 16515 1 616 . 1 1 64 64 LEU HD13 H 1 1.516 0.02 . 2 . . . . 64 LEU QD1 . 16515 1 617 . 1 1 64 64 LEU HD21 H 1 0.701 0.02 . 2 . . . . 64 LEU QD2 . 16515 1 618 . 1 1 64 64 LEU HD22 H 1 0.701 0.02 . 2 . . . . 64 LEU QD2 . 16515 1 619 . 1 1 64 64 LEU HD23 H 1 0.701 0.02 . 2 . . . . 64 LEU QD2 . 16515 1 620 . 1 1 64 64 LEU HG H 1 1.514 0.02 . 1 . . . . 64 LEU HG . 16515 1 621 . 1 1 64 64 LEU C C 13 176.514 0.1 . 1 . . . . 64 LEU C . 16515 1 622 . 1 1 64 64 LEU CA C 13 55.819 0.1 . 1 . . . . 64 LEU CA . 16515 1 623 . 1 1 64 64 LEU CB C 13 42.721 0.1 . 1 . . . . 64 LEU CB . 16515 1 624 . 1 1 64 64 LEU CD1 C 13 28.067 0.1 . 1 . . . . 64 LEU CD1 . 16515 1 625 . 1 1 64 64 LEU CD2 C 13 25.584 0.1 . 1 . . . . 64 LEU CD2 . 16515 1 626 . 1 1 64 64 LEU CG C 13 28.067 0.1 . 1 . . . . 64 LEU CG . 16515 1 627 . 1 1 64 64 LEU N N 15 127.954 0.1 . 1 . . . . 64 LEU N . 16515 1 628 . 1 1 65 65 ILE H H 1 9.054 0.02 . 1 . . . . 65 ILE H . 16515 1 629 . 1 1 65 65 ILE HA H 1 4.329 0.02 . 1 . . . . 65 ILE HA . 16515 1 630 . 1 1 65 65 ILE HB H 1 1.738 0.02 . 1 . . . . 65 ILE HB . 16515 1 631 . 1 1 65 65 ILE HD11 H 1 0.681 0.02 . 1 . . . . 65 ILE QD1 . 16515 1 632 . 1 1 65 65 ILE HD12 H 1 0.681 0.02 . 1 . . . . 65 ILE QD1 . 16515 1 633 . 1 1 65 65 ILE HD13 H 1 0.681 0.02 . 1 . . . . 65 ILE QD1 . 16515 1 634 . 1 1 65 65 ILE HG12 H 1 1.269 0.02 . 2 . . . . 65 ILE HG12 . 16515 1 635 . 1 1 65 65 ILE HG13 H 1 1.269 0.02 . 2 . . . . 65 ILE HG13 . 16515 1 636 . 1 1 65 65 ILE HG21 H 1 0.970 0.02 . 1 . . . . 65 ILE QG2 . 16515 1 637 . 1 1 65 65 ILE HG22 H 1 0.970 0.02 . 1 . . . . 65 ILE QG2 . 16515 1 638 . 1 1 65 65 ILE HG23 H 1 0.970 0.02 . 1 . . . . 65 ILE QG2 . 16515 1 639 . 1 1 65 65 ILE C C 13 174.637 0.1 . 1 . . . . 65 ILE C . 16515 1 640 . 1 1 65 65 ILE CA C 13 61.974 0.1 . 1 . . . . 65 ILE CA . 16515 1 641 . 1 1 65 65 ILE CB C 13 38.513 0.1 . 1 . . . . 65 ILE CB . 16515 1 642 . 1 1 65 65 ILE CD1 C 13 11.584 0.1 . 1 . . . . 65 ILE CD1 . 16515 1 643 . 1 1 65 65 ILE CG1 C 13 26.860 0.1 . 1 . . . . 65 ILE CG1 . 16515 1 644 . 1 1 65 65 ILE CG2 C 13 18.245 0.1 . 1 . . . . 65 ILE CG2 . 16515 1 645 . 1 1 65 65 ILE N N 15 123.041 0.1 . 1 . . . . 65 ILE N . 16515 1 646 . 1 1 66 66 GLU H H 1 7.640 0.02 . 1 . . . . 66 GLU H . 16515 1 647 . 1 1 66 66 GLU HA H 1 5.290 0.02 . 1 . . . . 66 GLU HA . 16515 1 648 . 1 1 66 66 GLU HB2 H 1 1.927 0.02 . 2 . . . . 66 GLU HB2 . 16515 1 649 . 1 1 66 66 GLU HB3 H 1 2.066 0.02 . 2 . . . . 66 GLU HB3 . 16515 1 650 . 1 1 66 66 GLU HG2 H 1 1.625 0.02 . 2 . . . . 66 GLU HG2 . 16515 1 651 . 1 1 66 66 GLU HG3 H 1 1.625 0.02 . 2 . . . . 66 GLU HG3 . 16515 1 652 . 1 1 66 66 GLU C C 13 176.632 0.1 . 1 . . . . 66 GLU C . 16515 1 653 . 1 1 66 66 GLU CA C 13 55.181 0.1 . 1 . . . . 66 GLU CA . 16515 1 654 . 1 1 66 66 GLU CB C 13 35.932 0.1 . 1 . . . . 66 GLU CB . 16515 1 655 . 1 1 66 66 GLU CG C 13 36.050 0.1 . 1 . . . . 66 GLU CG . 16515 1 656 . 1 1 66 66 GLU N N 15 116.089 0.1 . 1 . . . . 66 GLU N . 16515 1 657 . 1 1 67 67 VAL H H 1 7.907 0.02 . 1 . . . . 67 VAL H . 16515 1 658 . 1 1 67 67 VAL HA H 1 4.735 0.02 . 1 . . . . 67 VAL HA . 16515 1 659 . 1 1 67 67 VAL HB H 1 1.892 0.02 . 1 . . . . 67 VAL HB . 16515 1 660 . 1 1 67 67 VAL HG11 H 1 0.945 0.02 . 2 . . . . 67 VAL QG1 . 16515 1 661 . 1 1 67 67 VAL HG12 H 1 0.945 0.02 . 2 . . . . 67 VAL QG1 . 16515 1 662 . 1 1 67 67 VAL HG13 H 1 0.945 0.02 . 2 . . . . 67 VAL QG1 . 16515 1 663 . 1 1 67 67 VAL HG21 H 1 0.811 0.02 . 2 . . . . 67 VAL QG2 . 16515 1 664 . 1 1 67 67 VAL HG22 H 1 0.811 0.02 . 2 . . . . 67 VAL QG2 . 16515 1 665 . 1 1 67 67 VAL HG23 H 1 0.811 0.02 . 2 . . . . 67 VAL QG2 . 16515 1 666 . 1 1 67 67 VAL C C 13 175.944 0.1 . 1 . . . . 67 VAL C . 16515 1 667 . 1 1 67 67 VAL CA C 13 61.170 0.1 . 1 . . . . 67 VAL CA . 16515 1 668 . 1 1 67 67 VAL CB C 13 35.069 0.1 . 1 . . . . 67 VAL CB . 16515 1 669 . 1 1 67 67 VAL CG1 C 13 22.116 0.1 . 1 . . . . 67 VAL CG1 . 16515 1 670 . 1 1 67 67 VAL CG2 C 13 21.498 0.1 . 1 . . . . 67 VAL CG2 . 16515 1 671 . 1 1 67 67 VAL N N 15 119.587 0.1 . 1 . . . . 67 VAL N . 16515 1 672 . 1 1 68 68 ASN H H 1 10.001 0.02 . 1 . . . . 68 ASN H . 16515 1 673 . 1 1 68 68 ASN HA H 1 4.568 0.02 . 1 . . . . 68 ASN HA . 16515 1 674 . 1 1 68 68 ASN HB2 H 1 2.972 0.02 . 2 . . . . 68 ASN HB2 . 16515 1 675 . 1 1 68 68 ASN HB3 H 1 3.203 0.02 . 2 . . . . 68 ASN HB3 . 16515 1 676 . 1 1 68 68 ASN HD21 H 1 7.627 0.02 . 2 . . . . 68 ASN HD21 . 16515 1 677 . 1 1 68 68 ASN HD22 H 1 6.749 0.02 . 2 . . . . 68 ASN HD22 . 16515 1 678 . 1 1 68 68 ASN C C 13 175.592 0.1 . 1 . . . . 68 ASN C . 16515 1 679 . 1 1 68 68 ASN CA C 13 54.051 0.1 . 1 . . . . 68 ASN CA . 16515 1 680 . 1 1 68 68 ASN CB C 13 36.895 0.1 . 1 . . . . 68 ASN CB . 16515 1 681 . 1 1 68 68 ASN N N 15 126.499 0.1 . 1 . . . . 68 ASN N . 16515 1 682 . 1 1 68 68 ASN ND2 N 15 111.498 0.1 . 1 . . . . 68 ASN ND2 . 16515 1 683 . 1 1 69 69 GLY H H 1 8.828 0.02 . 1 . . . . 69 GLY H . 16515 1 684 . 1 1 69 69 GLY HA2 H 1 3.731 0.02 . 2 . . . . 69 GLY HA2 . 16515 1 685 . 1 1 69 69 GLY HA3 H 1 4.036 0.02 . 2 . . . . 69 GLY HA3 . 16515 1 686 . 1 1 69 69 GLY C C 13 175.525 0.1 . 1 . . . . 69 GLY C . 16515 1 687 . 1 1 69 69 GLY CA C 13 45.610 0.1 . 1 . . . . 69 GLY CA . 16515 1 688 . 1 1 69 69 GLY N N 15 103.301 0.1 . 1 . . . . 69 GLY N . 16515 1 689 . 1 1 70 70 VAL H H 1 8.106 0.02 . 1 . . . . 70 VAL H . 16515 1 690 . 1 1 70 70 VAL HA H 1 3.995 0.02 . 1 . . . . 70 VAL HA . 16515 1 691 . 1 1 70 70 VAL HB H 1 2.383 0.02 . 1 . . . . 70 VAL HB . 16515 1 692 . 1 1 70 70 VAL HG11 H 1 0.897 0.02 . 2 . . . . 70 VAL QG1 . 16515 1 693 . 1 1 70 70 VAL HG12 H 1 0.897 0.02 . 2 . . . . 70 VAL QG1 . 16515 1 694 . 1 1 70 70 VAL HG13 H 1 0.897 0.02 . 2 . . . . 70 VAL QG1 . 16515 1 695 . 1 1 70 70 VAL C C 13 173.799 0.1 . 1 . . . . 70 VAL C . 16515 1 696 . 1 1 70 70 VAL CA C 13 62.299 0.1 . 1 . . . . 70 VAL CA . 16515 1 697 . 1 1 70 70 VAL CB C 13 32.363 0.1 . 1 . . . . 70 VAL CB . 16515 1 698 . 1 1 70 70 VAL CG1 C 13 21.181 0.1 . 1 . . . . 70 VAL CG1 . 16515 1 699 . 1 1 70 70 VAL N N 15 123.440 0.1 . 1 . . . . 70 VAL N . 16515 1 700 . 1 1 71 71 ASP H H 1 8.526 0.02 . 1 . . . . 71 ASP H . 16515 1 701 . 1 1 71 71 ASP HA H 1 4.556 0.02 . 1 . . . . 71 ASP HA . 16515 1 702 . 1 1 71 71 ASP HB2 H 1 2.766 0.02 . 2 . . . . 71 ASP HB2 . 16515 1 703 . 1 1 71 71 ASP C C 13 175.240 0.1 . 1 . . . . 71 ASP C . 16515 1 704 . 1 1 71 71 ASP CA C 13 55.299 0.1 . 1 . . . . 71 ASP CA . 16515 1 705 . 1 1 71 71 ASP CB C 13 42.661 0.1 . 1 . . . . 71 ASP CB . 16515 1 706 . 1 1 71 71 ASP N N 15 127.351 0.1 . 1 . . . . 71 ASP N . 16515 1 707 . 1 1 72 72 LEU H H 1 7.724 0.02 . 1 . . . . 72 LEU H . 16515 1 708 . 1 1 72 72 LEU HA H 1 4.109 0.02 . 1 . . . . 72 LEU HA . 16515 1 709 . 1 1 72 72 LEU HB3 H 1 1.636 0.02 . 2 . . . . 72 LEU HB3 . 16515 1 710 . 1 1 72 72 LEU HD11 H 1 0.722 0.02 . 2 . . . . 72 LEU QD1 . 16515 1 711 . 1 1 72 72 LEU HD12 H 1 0.722 0.02 . 2 . . . . 72 LEU QD1 . 16515 1 712 . 1 1 72 72 LEU HD13 H 1 0.722 0.02 . 2 . . . . 72 LEU QD1 . 16515 1 713 . 1 1 72 72 LEU HD21 H 1 0.768 0.02 . 2 . . . . 72 LEU QD2 . 16515 1 714 . 1 1 72 72 LEU HD22 H 1 0.768 0.02 . 2 . . . . 72 LEU QD2 . 16515 1 715 . 1 1 72 72 LEU HD23 H 1 0.768 0.02 . 2 . . . . 72 LEU QD2 . 16515 1 716 . 1 1 72 72 LEU HG H 1 1.682 0.02 . 1 . . . . 72 LEU HG . 16515 1 717 . 1 1 72 72 LEU C C 13 177.201 0.1 . 1 . . . . 72 LEU C . 16515 1 718 . 1 1 72 72 LEU CA C 13 55.139 0.1 . 1 . . . . 72 LEU CA . 16515 1 719 . 1 1 72 72 LEU CB C 13 41.927 0.1 . 1 . . . . 72 LEU CB . 16515 1 720 . 1 1 72 72 LEU CD1 C 13 22.469 0.1 . 1 . . . . 72 LEU CD1 . 16515 1 721 . 1 1 72 72 LEU CD2 C 13 26.329 0.1 . 1 . . . . 72 LEU CD2 . 16515 1 722 . 1 1 72 72 LEU CG C 13 26.977 0.1 . 1 . . . . 72 LEU CG . 16515 1 723 . 1 1 72 72 LEU N N 15 123.076 0.1 . 1 . . . . 72 LEU N . 16515 1 724 . 1 1 73 73 ALA H H 1 8.463 0.02 . 1 . . . . 73 ALA H . 16515 1 725 . 1 1 73 73 ALA HA H 1 4.112 0.02 . 1 . . . . 73 ALA HA . 16515 1 726 . 1 1 73 73 ALA HB1 H 1 1.384 0.02 . 1 . . . . 73 ALA QB . 16515 1 727 . 1 1 73 73 ALA HB2 H 1 1.384 0.02 . 1 . . . . 73 ALA QB . 16515 1 728 . 1 1 73 73 ALA HB3 H 1 1.384 0.02 . 1 . . . . 73 ALA QB . 16515 1 729 . 1 1 73 73 ALA C C 13 177.436 0.1 . 1 . . . . 73 ALA C . 16515 1 730 . 1 1 73 73 ALA CA C 13 54.842 0.1 . 1 . . . . 73 ALA CA . 16515 1 731 . 1 1 73 73 ALA CB C 13 18.120 0.1 . 1 . . . . 73 ALA CB . 16515 1 732 . 1 1 73 73 ALA N N 15 125.470 0.1 . 1 . . . . 73 ALA N . 16515 1 733 . 1 1 74 74 GLY H H 1 8.565 0.02 . 1 . . . . 74 GLY H . 16515 1 734 . 1 1 74 74 GLY HA2 H 1 3.797 0.02 . 2 . . . . 74 GLY HA2 . 16515 1 735 . 1 1 74 74 GLY HA3 H 1 4.153 0.02 . 2 . . . . 74 GLY HA3 . 16515 1 736 . 1 1 74 74 GLY C C 13 179.213 0.1 . 1 . . . . 74 GLY C . 16515 1 737 . 1 1 74 74 GLY CA C 13 45.827 0.1 . 1 . . . . 74 GLY CA . 16515 1 738 . 1 1 74 74 GLY N N 15 110.915 0.1 . 1 . . . . 74 GLY N . 16515 1 739 . 1 1 75 75 LYS H H 1 7.836 0.02 . 1 . . . . 75 LYS H . 16515 1 740 . 1 1 75 75 LYS HA H 1 4.654 0.02 . 1 . . . . 75 LYS HA . 16515 1 741 . 1 1 75 75 LYS HB2 H 1 1.902 0.02 . 2 . . . . 75 LYS HB2 . 16515 1 742 . 1 1 75 75 LYS HB3 H 1 1.703 0.02 . 2 . . . . 75 LYS HB3 . 16515 1 743 . 1 1 75 75 LYS HD2 H 1 1.506 0.02 . 2 . . . . 75 LYS HD2 . 16515 1 744 . 1 1 75 75 LYS HE2 H 1 2.945 0.02 . 2 . . . . 75 LYS HE2 . 16515 1 745 . 1 1 75 75 LYS HG2 H 1 1.330 0.02 . 2 . . . . 75 LYS HG2 . 16515 1 746 . 1 1 75 75 LYS C C 13 174.738 0.1 . 1 . . . . 75 LYS C . 16515 1 747 . 1 1 75 75 LYS CA C 13 55.545 0.1 . 1 . . . . 75 LYS CA . 16515 1 748 . 1 1 75 75 LYS CB C 13 33.972 0.1 . 1 . . . . 75 LYS CB . 16515 1 749 . 1 1 75 75 LYS CD C 13 29.126 0.1 . 1 . . . . 75 LYS CD . 16515 1 750 . 1 1 75 75 LYS CE C 13 42.744 0.1 . 1 . . . . 75 LYS CE . 16515 1 751 . 1 1 75 75 LYS CG C 13 26.148 0.1 . 1 . . . . 75 LYS CG . 16515 1 752 . 1 1 75 75 LYS N N 15 119.863 0.1 . 1 . . . . 75 LYS N . 16515 1 753 . 1 1 76 76 SER H H 1 9.160 0.02 . 1 . . . . 76 SER H . 16515 1 754 . 1 1 76 76 SER HA H 1 4.592 0.02 . 1 . . . . 76 SER HA . 16515 1 755 . 1 1 76 76 SER HB2 H 1 4.446 0.02 . 2 . . . . 76 SER HB2 . 16515 1 756 . 1 1 76 76 SER HB3 H 1 4.093 0.02 . 2 . . . . 76 SER HB3 . 16515 1 757 . 1 1 76 76 SER C C 13 176.564 0.1 . 1 . . . . 76 SER C . 16515 1 758 . 1 1 76 76 SER CA C 13 57.181 0.1 . 1 . . . . 76 SER CA . 16515 1 759 . 1 1 76 76 SER CB C 13 66.028 0.1 . 1 . . . . 76 SER CB . 16515 1 760 . 1 1 76 76 SER N N 15 118.706 0.1 . 1 . . . . 76 SER N . 16515 1 761 . 1 1 77 77 GLN H H 1 9.136 0.02 . 1 . . . . 77 GLN H . 16515 1 762 . 1 1 77 77 GLN HA H 1 3.814 0.02 . 1 . . . . 77 GLN HA . 16515 1 763 . 1 1 77 77 GLN HB2 H 1 2.098 0.02 . 2 . . . . 77 GLN HB2 . 16515 1 764 . 1 1 77 77 GLN HB3 H 1 2.256 0.02 . 2 . . . . 77 GLN HB3 . 16515 1 765 . 1 1 77 77 GLN HE21 H 1 7.280 0.02 . 2 . . . . 77 GLN HE21 . 16515 1 766 . 1 1 77 77 GLN HE22 H 1 6.885 0.02 . 2 . . . . 77 GLN HE22 . 16515 1 767 . 1 1 77 77 GLN HG3 H 1 2.291 0.02 . 2 . . . . 77 GLN HG3 . 16515 1 768 . 1 1 77 77 GLN C C 13 175.157 0.1 . 1 . . . . 77 GLN C . 16515 1 769 . 1 1 77 77 GLN CA C 13 60.525 0.1 . 1 . . . . 77 GLN CA . 16515 1 770 . 1 1 77 77 GLN CB C 13 28.436 0.1 . 1 . . . . 77 GLN CB . 16515 1 771 . 1 1 77 77 GLN CG C 13 34.164 0.1 . 1 . . . . 77 GLN CG . 16515 1 772 . 1 1 77 77 GLN N N 15 120.824 0.1 . 1 . . . . 77 GLN N . 16515 1 773 . 1 1 77 77 GLN NE2 N 15 110.187 0.1 . 1 . . . . 77 GLN NE2 . 16515 1 774 . 1 1 78 78 GLU H H 1 8.795 0.02 . 1 . . . . 78 GLU H . 16515 1 775 . 1 1 78 78 GLU HA H 1 3.995 0.02 . 1 . . . . 78 GLU HA . 16515 1 776 . 1 1 78 78 GLU HB2 H 1 1.983 0.02 . 2 . . . . 78 GLU HB2 . 16515 1 777 . 1 1 78 78 GLU HB3 H 1 2.099 0.02 . 2 . . . . 78 GLU HB3 . 16515 1 778 . 1 1 78 78 GLU HG2 H 1 2.430 0.02 . 2 . . . . 78 GLU HG2 . 16515 1 779 . 1 1 78 78 GLU C C 13 177.855 0.1 . 1 . . . . 78 GLU C . 16515 1 780 . 1 1 78 78 GLU CA C 13 60.201 0.1 . 1 . . . . 78 GLU CA . 16515 1 781 . 1 1 78 78 GLU CB C 13 29.126 0.1 . 1 . . . . 78 GLU CB . 16515 1 782 . 1 1 78 78 GLU CG C 13 36.859 0.1 . 1 . . . . 78 GLU CG . 16515 1 783 . 1 1 78 78 GLU N N 15 117.723 0.1 . 1 . . . . 78 GLU N . 16515 1 784 . 1 1 79 79 GLU H H 1 7.882 0.02 . 1 . . . . 79 GLU H . 16515 1 785 . 1 1 79 79 GLU HA H 1 4.062 0.02 . 1 . . . . 79 GLU HA . 16515 1 786 . 1 1 79 79 GLU HB2 H 1 1.978 0.02 . 2 . . . . 79 GLU HB2 . 16515 1 787 . 1 1 79 79 GLU HB3 H 1 2.458 0.02 . 2 . . . . 79 GLU HB3 . 16515 1 788 . 1 1 79 79 GLU HG2 H 1 2.268 0.02 . 2 . . . . 79 GLU HG2 . 16515 1 789 . 1 1 79 79 GLU HG3 H 1 2.446 0.02 . 2 . . . . 79 GLU HG3 . 16515 1 790 . 1 1 79 79 GLU C C 13 179.682 0.1 . 1 . . . . 79 GLU C . 16515 1 791 . 1 1 79 79 GLU CA C 13 59.591 0.1 . 1 . . . . 79 GLU CA . 16515 1 792 . 1 1 79 79 GLU CB C 13 30.420 0.1 . 1 . . . . 79 GLU CB . 16515 1 793 . 1 1 79 79 GLU CG C 13 37.816 0.1 . 1 . . . . 79 GLU CG . 16515 1 794 . 1 1 79 79 GLU N N 15 120.881 0.1 . 1 . . . . 79 GLU N . 16515 1 795 . 1 1 80 80 VAL H H 1 8.184 0.02 . 1 . . . . 80 VAL H . 16515 1 796 . 1 1 80 80 VAL HA H 1 3.544 0.02 . 1 . . . . 80 VAL HA . 16515 1 797 . 1 1 80 80 VAL HB H 1 2.230 0.02 . 1 . . . . 80 VAL HB . 16515 1 798 . 1 1 80 80 VAL HG11 H 1 1.077 0.02 . 2 . . . . 80 VAL QG1 . 16515 1 799 . 1 1 80 80 VAL HG12 H 1 1.077 0.02 . 2 . . . . 80 VAL QG1 . 16515 1 800 . 1 1 80 80 VAL HG13 H 1 1.077 0.02 . 2 . . . . 80 VAL QG1 . 16515 1 801 . 1 1 80 80 VAL HG21 H 1 0.911 0.02 . 2 . . . . 80 VAL QG2 . 16515 1 802 . 1 1 80 80 VAL HG22 H 1 0.911 0.02 . 2 . . . . 80 VAL QG2 . 16515 1 803 . 1 1 80 80 VAL HG23 H 1 0.911 0.02 . 2 . . . . 80 VAL QG2 . 16515 1 804 . 1 1 80 80 VAL C C 13 179.816 0.1 . 1 . . . . 80 VAL C . 16515 1 805 . 1 1 80 80 VAL CA C 13 67.646 0.1 . 1 . . . . 80 VAL CA . 16515 1 806 . 1 1 80 80 VAL CB C 13 31.315 0.1 . 1 . . . . 80 VAL CB . 16515 1 807 . 1 1 80 80 VAL CG1 C 13 24.194 0.1 . 1 . . . . 80 VAL CG1 . 16515 1 808 . 1 1 80 80 VAL CG2 C 13 22.078 0.1 . 1 . . . . 80 VAL CG2 . 16515 1 809 . 1 1 80 80 VAL N N 15 121.492 0.1 . 1 . . . . 80 VAL N . 16515 1 810 . 1 1 81 81 VAL H H 1 8.641 0.02 . 1 . . . . 81 VAL H . 16515 1 811 . 1 1 81 81 VAL HA H 1 3.545 0.02 . 1 . . . . 81 VAL HA . 16515 1 812 . 1 1 81 81 VAL HB H 1 2.191 0.02 . 1 . . . . 81 VAL HB . 16515 1 813 . 1 1 81 81 VAL HG11 H 1 0.982 0.02 . 2 . . . . 81 VAL QG1 . 16515 1 814 . 1 1 81 81 VAL HG12 H 1 0.982 0.02 . 2 . . . . 81 VAL QG1 . 16515 1 815 . 1 1 81 81 VAL HG13 H 1 0.982 0.02 . 2 . . . . 81 VAL QG1 . 16515 1 816 . 1 1 81 81 VAL HG21 H 1 1.115 0.02 . 2 . . . . 81 VAL QG2 . 16515 1 817 . 1 1 81 81 VAL HG22 H 1 1.115 0.02 . 2 . . . . 81 VAL QG2 . 16515 1 818 . 1 1 81 81 VAL HG23 H 1 1.115 0.02 . 2 . . . . 81 VAL QG2 . 16515 1 819 . 1 1 81 81 VAL C C 13 177.687 0.1 . 1 . . . . 81 VAL C . 16515 1 820 . 1 1 81 81 VAL CA C 13 67.733 0.1 . 1 . . . . 81 VAL CA . 16515 1 821 . 1 1 81 81 VAL CB C 13 31.715 0.1 . 1 . . . . 81 VAL CB . 16515 1 822 . 1 1 81 81 VAL CG1 C 13 21.519 0.1 . 1 . . . . 81 VAL CG1 . 16515 1 823 . 1 1 81 81 VAL CG2 C 13 23.489 0.1 . 1 . . . . 81 VAL CG2 . 16515 1 824 . 1 1 81 81 VAL N N 15 120.552 0.1 . 1 . . . . 81 VAL N . 16515 1 825 . 1 1 82 82 SER H H 1 7.998 0.02 . 1 . . . . 82 SER H . 16515 1 826 . 1 1 82 82 SER HA H 1 4.165 0.02 . 1 . . . . 82 SER HA . 16515 1 827 . 1 1 82 82 SER HB2 H 1 4.009 0.02 . 2 . . . . 82 SER HB2 . 16515 1 828 . 1 1 82 82 SER C C 13 178.827 0.1 . 1 . . . . 82 SER C . 16515 1 829 . 1 1 82 82 SER CA C 13 62.143 0.1 . 1 . . . . 82 SER CA . 16515 1 830 . 1 1 82 82 SER N N 15 114.962 0.1 . 1 . . . . 82 SER N . 16515 1 831 . 1 1 83 83 LEU H H 1 7.905 0.02 . 1 . . . . 83 LEU H . 16515 1 832 . 1 1 83 83 LEU HA H 1 4.154 0.02 . 1 . . . . 83 LEU HA . 16515 1 833 . 1 1 83 83 LEU HB2 H 1 2.004 0.02 . 2 . . . . 83 LEU HB2 . 16515 1 834 . 1 1 83 83 LEU HB3 H 1 1.637 0.02 . 2 . . . . 83 LEU HB3 . 16515 1 835 . 1 1 83 83 LEU HG H 1 1.783 0.02 . 1 . . . . 83 LEU HG . 16515 1 836 . 1 1 83 83 LEU C C 13 177.369 0.1 . 1 . . . . 83 LEU C . 16515 1 837 . 1 1 83 83 LEU CA C 13 58.259 0.1 . 1 . . . . 83 LEU CA . 16515 1 838 . 1 1 83 83 LEU CB C 13 42.397 0.1 . 1 . . . . 83 LEU CB . 16515 1 839 . 1 1 83 83 LEU CG C 13 27.183 0.1 . 1 . . . . 83 LEU CG . 16515 1 840 . 1 1 83 83 LEU N N 15 123.448 0.1 . 1 . . . . 83 LEU N . 16515 1 841 . 1 1 84 84 LEU H H 1 8.124 0.02 . 1 . . . . 84 LEU H . 16515 1 842 . 1 1 84 84 LEU HA H 1 3.951 0.02 . 1 . . . . 84 LEU HA . 16515 1 843 . 1 1 84 84 LEU HB2 H 1 2.046 0.02 . 2 . . . . 84 LEU HB2 . 16515 1 844 . 1 1 84 84 LEU HB3 H 1 1.362 0.02 . 2 . . . . 84 LEU HB3 . 16515 1 845 . 1 1 84 84 LEU HD21 H 1 0.901 0.02 . 2 . . . . 84 LEU QD2 . 16515 1 846 . 1 1 84 84 LEU HD22 H 1 0.901 0.02 . 2 . . . . 84 LEU QD2 . 16515 1 847 . 1 1 84 84 LEU HD23 H 1 0.901 0.02 . 2 . . . . 84 LEU QD2 . 16515 1 848 . 1 1 84 84 LEU HG H 1 1.853 0.02 . 1 . . . . 84 LEU HG . 16515 1 849 . 1 1 84 84 LEU C C 13 180.302 0.1 . 1 . . . . 84 LEU C . 16515 1 850 . 1 1 84 84 LEU CA C 13 58.472 0.1 . 1 . . . . 84 LEU CA . 16515 1 851 . 1 1 84 84 LEU CB C 13 41.750 0.1 . 1 . . . . 84 LEU CB . 16515 1 852 . 1 1 84 84 LEU CD2 C 13 24.342 0.1 . 1 . . . . 84 LEU CD2 . 16515 1 853 . 1 1 84 84 LEU CG C 13 27.300 0.1 . 1 . . . . 84 LEU CG . 16515 1 854 . 1 1 84 84 LEU N N 15 119.116 0.1 . 1 . . . . 84 LEU N . 16515 1 855 . 1 1 85 85 ARG H H 1 8.546 0.02 . 1 . . . . 85 ARG H . 16515 1 856 . 1 1 85 85 ARG HA H 1 4.211 0.02 . 1 . . . . 85 ARG HA . 16515 1 857 . 1 1 85 85 ARG HB2 H 1 1.995 0.02 . 2 . . . . 85 ARG HB2 . 16515 1 858 . 1 1 85 85 ARG HB3 H 1 1.886 0.02 . 2 . . . . 85 ARG HB3 . 16515 1 859 . 1 1 85 85 ARG HD2 H 1 3.213 0.02 . 2 . . . . 85 ARG HD2 . 16515 1 860 . 1 1 85 85 ARG HD3 H 1 3.213 0.02 . 2 . . . . 85 ARG HD3 . 16515 1 861 . 1 1 85 85 ARG HG2 H 1 1.723 0.02 . 2 . . . . 85 ARG HG2 . 16515 1 862 . 1 1 85 85 ARG HG3 H 1 1.863 0.02 . 2 . . . . 85 ARG HG3 . 16515 1 863 . 1 1 85 85 ARG C C 13 179.883 0.1 . 1 . . . . 85 ARG C . 16515 1 864 . 1 1 85 85 ARG CA C 13 58.689 0.1 . 1 . . . . 85 ARG CA . 16515 1 865 . 1 1 85 85 ARG CB C 13 31.068 0.1 . 1 . . . . 85 ARG CB . 16515 1 866 . 1 1 85 85 ARG CD C 13 44.016 0.1 . 1 . . . . 85 ARG CD . 16515 1 867 . 1 1 85 85 ARG CG C 13 27.831 0.1 . 1 . . . . 85 ARG CG . 16515 1 868 . 1 1 85 85 ARG N N 15 119.934 0.1 . 1 . . . . 85 ARG N . 16515 1 869 . 1 1 86 86 SER H H 1 7.701 0.02 . 1 . . . . 86 SER H . 16515 1 870 . 1 1 86 86 SER HA H 1 4.360 0.02 . 1 . . . . 86 SER HA . 16515 1 871 . 1 1 86 86 SER HB2 H 1 4.082 0.02 . 2 . . . . 86 SER HB2 . 16515 1 872 . 1 1 86 86 SER C C 13 177.185 0.1 . 1 . . . . 86 SER C . 16515 1 873 . 1 1 86 86 SER CA C 13 60.036 0.1 . 1 . . . . 86 SER CA . 16515 1 874 . 1 1 86 86 SER CB C 13 64.451 0.1 . 1 . . . . 86 SER CB . 16515 1 875 . 1 1 86 86 SER N N 15 113.509 0.1 . 1 . . . . 86 SER N . 16515 1 876 . 1 1 87 87 THR H H 1 7.404 0.02 . 1 . . . . 87 THR H . 16515 1 877 . 1 1 87 87 THR HA H 1 4.138 0.02 . 1 . . . . 87 THR HA . 16515 1 878 . 1 1 87 87 THR HG21 H 1 1.307 0.02 . 1 . . . . 87 THR QG2 . 16515 1 879 . 1 1 87 87 THR HG22 H 1 1.307 0.02 . 1 . . . . 87 THR QG2 . 16515 1 880 . 1 1 87 87 THR HG23 H 1 1.307 0.02 . 1 . . . . 87 THR QG2 . 16515 1 881 . 1 1 87 87 THR C C 13 174.654 0.1 . 1 . . . . 87 THR C . 16515 1 882 . 1 1 87 87 THR CA C 13 63.718 0.1 . 1 . . . . 87 THR CA . 16515 1 883 . 1 1 87 87 THR CG2 C 13 21.519 0.1 . 1 . . . . 87 THR CG2 . 16515 1 884 . 1 1 87 87 THR N N 15 117.202 0.1 . 1 . . . . 87 THR N . 16515 1 885 . 1 1 88 88 LYS H H 1 8.704 0.02 . 1 . . . . 88 LYS H . 16515 1 886 . 1 1 88 88 LYS HA H 1 4.317 0.02 . 1 . . . . 88 LYS HA . 16515 1 887 . 1 1 88 88 LYS HB2 H 1 1.785 0.02 . 2 . . . . 88 LYS HB2 . 16515 1 888 . 1 1 88 88 LYS HB3 H 1 1.937 0.02 . 2 . . . . 88 LYS HB3 . 16515 1 889 . 1 1 88 88 LYS HG2 H 1 1.572 0.02 . 2 . . . . 88 LYS HG2 . 16515 1 890 . 1 1 88 88 LYS HG3 H 1 1.572 0.02 . 2 . . . . 88 LYS HG3 . 16515 1 891 . 1 1 88 88 LYS C C 13 174.469 0.1 . 1 . . . . 88 LYS C . 16515 1 892 . 1 1 88 88 LYS CA C 13 56.421 0.1 . 1 . . . . 88 LYS CA . 16515 1 893 . 1 1 88 88 LYS CB C 13 33.740 0.1 . 1 . . . . 88 LYS CB . 16515 1 894 . 1 1 88 88 LYS CG C 13 24.918 0.1 . 1 . . . . 88 LYS CG . 16515 1 895 . 1 1 88 88 LYS N N 15 126.740 0.1 . 1 . . . . 88 LYS N . 16515 1 896 . 1 1 89 89 MET H H 1 8.527 0.02 . 1 . . . . 89 MET H . 16515 1 897 . 1 1 89 89 MET HA H 1 4.211 0.02 . 1 . . . . 89 MET HA . 16515 1 898 . 1 1 89 89 MET HB2 H 1 2.093 0.02 . 2 . . . . 89 MET HB2 . 16515 1 899 . 1 1 89 89 MET HG2 H 1 2.664 0.02 . 2 . . . . 89 MET HG2 . 16515 1 900 . 1 1 89 89 MET C C 13 177.285 0.1 . 1 . . . . 89 MET C . 16515 1 901 . 1 1 89 89 MET CA C 13 57.318 0.1 . 1 . . . . 89 MET CA . 16515 1 902 . 1 1 89 89 MET CB C 13 31.392 0.1 . 1 . . . . 89 MET CB . 16515 1 903 . 1 1 89 89 MET CG C 13 32.245 0.1 . 1 . . . . 89 MET CG . 16515 1 904 . 1 1 89 89 MET N N 15 121.012 0.1 . 1 . . . . 89 MET N . 16515 1 905 . 1 1 90 90 GLU H H 1 8.871 0.02 . 1 . . . . 90 GLU H . 16515 1 906 . 1 1 90 90 GLU HA H 1 3.942 0.02 . 1 . . . . 90 GLU HA . 16515 1 907 . 1 1 90 90 GLU HB2 H 1 2.277 0.02 . 2 . . . . 90 GLU HB2 . 16515 1 908 . 1 1 90 90 GLU HG2 H 1 2.296 0.02 . 2 . . . . 90 GLU HG2 . 16515 1 909 . 1 1 90 90 GLU C C 13 177.419 0.1 . 1 . . . . 90 GLU C . 16515 1 910 . 1 1 90 90 GLU CA C 13 58.593 0.1 . 1 . . . . 90 GLU CA . 16515 1 911 . 1 1 90 90 GLU CB C 13 28.172 0.1 . 1 . . . . 90 GLU CB . 16515 1 912 . 1 1 90 90 GLU CG C 13 37.099 0.1 . 1 . . . . 90 GLU CG . 16515 1 913 . 1 1 90 90 GLU N N 15 118.873 0.1 . 1 . . . . 90 GLU N . 16515 1 914 . 1 1 91 91 GLY H H 1 8.524 0.02 . 1 . . . . 91 GLY H . 16515 1 915 . 1 1 91 91 GLY HA2 H 1 3.786 0.02 . 2 . . . . 91 GLY HA2 . 16515 1 916 . 1 1 91 91 GLY HA3 H 1 4.247 0.02 . 2 . . . . 91 GLY HA3 . 16515 1 917 . 1 1 91 91 GLY C C 13 176.045 0.1 . 1 . . . . 91 GLY C . 16515 1 918 . 1 1 91 91 GLY CA C 13 44.663 0.1 . 1 . . . . 91 GLY CA . 16515 1 919 . 1 1 91 91 GLY N N 15 108.901 0.1 . 1 . . . . 91 GLY N . 16515 1 920 . 1 1 92 92 THR H H 1 8.265 0.02 . 1 . . . . 92 THR H . 16515 1 921 . 1 1 92 92 THR HA H 1 5.091 0.02 . 1 . . . . 92 THR HA . 16515 1 922 . 1 1 92 92 THR HB H 1 3.952 0.02 . 1 . . . . 92 THR HB . 16515 1 923 . 1 1 92 92 THR HG21 H 1 1.054 0.02 . 1 . . . . 92 THR QG2 . 16515 1 924 . 1 1 92 92 THR HG22 H 1 1.054 0.02 . 1 . . . . 92 THR QG2 . 16515 1 925 . 1 1 92 92 THR HG23 H 1 1.054 0.02 . 1 . . . . 92 THR QG2 . 16515 1 926 . 1 1 92 92 THR C C 13 172.794 0.1 . 1 . . . . 92 THR C . 16515 1 927 . 1 1 92 92 THR CA C 13 61.496 0.1 . 1 . . . . 92 THR CA . 16515 1 928 . 1 1 92 92 THR CB C 13 71.073 0.1 . 1 . . . . 92 THR CB . 16515 1 929 . 1 1 92 92 THR CG2 C 13 21.726 0.1 . 1 . . . . 92 THR CG2 . 16515 1 930 . 1 1 92 92 THR N N 15 114.124 0.1 . 1 . . . . 92 THR N . 16515 1 931 . 1 1 93 93 VAL H H 1 9.340 0.02 . 1 . . . . 93 VAL H . 16515 1 932 . 1 1 93 93 VAL HA H 1 4.798 0.02 . 1 . . . . 93 VAL HA . 16515 1 933 . 1 1 93 93 VAL HB H 1 2.083 0.02 . 1 . . . . 93 VAL HB . 16515 1 934 . 1 1 93 93 VAL HG11 H 1 1.053 0.02 . 2 . . . . 93 VAL QG1 . 16515 1 935 . 1 1 93 93 VAL HG12 H 1 1.053 0.02 . 2 . . . . 93 VAL QG1 . 16515 1 936 . 1 1 93 93 VAL HG13 H 1 1.053 0.02 . 2 . . . . 93 VAL QG1 . 16515 1 937 . 1 1 93 93 VAL HG21 H 1 1.100 0.02 . 2 . . . . 93 VAL QG2 . 16515 1 938 . 1 1 93 93 VAL HG22 H 1 1.100 0.02 . 2 . . . . 93 VAL QG2 . 16515 1 939 . 1 1 93 93 VAL HG23 H 1 1.100 0.02 . 2 . . . . 93 VAL QG2 . 16515 1 940 . 1 1 93 93 VAL C C 13 174.587 0.1 . 1 . . . . 93 VAL C . 16515 1 941 . 1 1 93 93 VAL CA C 13 60.643 0.1 . 1 . . . . 93 VAL CA . 16515 1 942 . 1 1 93 93 VAL CB C 13 34.305 0.1 . 1 . . . . 93 VAL CB . 16515 1 943 . 1 1 93 93 VAL CG1 C 13 22.028 0.1 . 1 . . . . 93 VAL CG1 . 16515 1 944 . 1 1 93 93 VAL CG2 C 13 22.196 0.1 . 1 . . . . 93 VAL CG2 . 16515 1 945 . 1 1 93 93 VAL N N 15 126.085 0.1 . 1 . . . . 93 VAL N . 16515 1 946 . 1 1 94 94 SER H H 1 8.763 0.02 . 1 . . . . 94 SER H . 16515 1 947 . 1 1 94 94 SER HA H 1 5.054 0.02 . 1 . . . . 94 SER HA . 16515 1 948 . 1 1 94 94 SER HB2 H 1 3.930 0.02 . 2 . . . . 94 SER HB2 . 16515 1 949 . 1 1 94 94 SER C C 13 174.252 0.1 . 1 . . . . 94 SER C . 16515 1 950 . 1 1 94 94 SER CA C 13 57.276 0.1 . 1 . . . . 94 SER CA . 16515 1 951 . 1 1 94 94 SER CB C 13 65.057 0.1 . 1 . . . . 94 SER CB . 16515 1 952 . 1 1 94 94 SER N N 15 122.156 0.1 . 1 . . . . 94 SER N . 16515 1 953 . 1 1 95 95 LEU H H 1 9.338 0.02 . 1 . . . . 95 LEU H . 16515 1 954 . 1 1 95 95 LEU HA H 1 5.085 0.02 . 1 . . . . 95 LEU HA . 16515 1 955 . 1 1 95 95 LEU HB2 H 1 1.873 0.02 . 2 . . . . 95 LEU HB2 . 16515 1 956 . 1 1 95 95 LEU HB3 H 1 1.140 0.02 . 2 . . . . 95 LEU HB3 . 16515 1 957 . 1 1 95 95 LEU HD11 H 1 0.653 0.02 . 2 . . . . 95 LEU QD1 . 16515 1 958 . 1 1 95 95 LEU HD12 H 1 0.653 0.02 . 2 . . . . 95 LEU QD1 . 16515 1 959 . 1 1 95 95 LEU HD13 H 1 0.653 0.02 . 2 . . . . 95 LEU QD1 . 16515 1 960 . 1 1 95 95 LEU HD21 H 1 0.915 0.02 . 2 . . . . 95 LEU QD2 . 16515 1 961 . 1 1 95 95 LEU HD22 H 1 0.915 0.02 . 2 . . . . 95 LEU QD2 . 16515 1 962 . 1 1 95 95 LEU HD23 H 1 0.915 0.02 . 2 . . . . 95 LEU QD2 . 16515 1 963 . 1 1 95 95 LEU C C 13 173.581 0.1 . 1 . . . . 95 LEU C . 16515 1 964 . 1 1 95 95 LEU CA C 13 53.403 0.1 . 1 . . . . 95 LEU CA . 16515 1 965 . 1 1 95 95 LEU CB C 13 44.663 0.1 . 1 . . . . 95 LEU CB . 16515 1 966 . 1 1 95 95 LEU CD1 C 13 26.938 0.1 . 1 . . . . 95 LEU CD1 . 16515 1 967 . 1 1 95 95 LEU CD2 C 13 25.132 0.1 . 1 . . . . 95 LEU CD2 . 16515 1 968 . 1 1 95 95 LEU N N 15 126.224 0.1 . 1 . . . . 95 LEU N . 16515 1 969 . 1 1 96 96 LEU H H 1 8.414 0.02 . 1 . . . . 96 LEU H . 16515 1 970 . 1 1 96 96 LEU HA H 1 5.313 0.02 . 1 . . . . 96 LEU HA . 16515 1 971 . 1 1 96 96 LEU HB2 H 1 1.421 0.02 . 2 . . . . 96 LEU HB2 . 16515 1 972 . 1 1 96 96 LEU HB3 H 1 1.785 0.02 . 2 . . . . 96 LEU HB3 . 16515 1 973 . 1 1 96 96 LEU HD21 H 1 0.845 0.02 . 2 . . . . 96 LEU QD2 . 16515 1 974 . 1 1 96 96 LEU HD22 H 1 0.845 0.02 . 2 . . . . 96 LEU QD2 . 16515 1 975 . 1 1 96 96 LEU HD23 H 1 0.845 0.02 . 2 . . . . 96 LEU QD2 . 16515 1 976 . 1 1 96 96 LEU HG H 1 1.348 0.02 . 1 . . . . 96 LEU HG . 16515 1 977 . 1 1 96 96 LEU CA C 13 54.570 0.1 . 1 . . . . 96 LEU CA . 16515 1 978 . 1 1 96 96 LEU CB C 13 44.663 0.1 . 1 . . . . 96 LEU CB . 16515 1 979 . 1 1 96 96 LEU CD2 C 13 23.439 0.1 . 1 . . . . 96 LEU CD2 . 16515 1 980 . 1 1 96 96 LEU CG C 13 28.180 0.1 . 1 . . . . 96 LEU CG . 16515 1 981 . 1 1 96 96 LEU N N 15 126.572 0.1 . 1 . . . . 96 LEU N . 16515 1 982 . 1 1 97 97 VAL H H 1 9.100 0.02 . 1 . . . . 97 VAL H . 16515 1 983 . 1 1 97 97 VAL HA H 1 5.607 0.02 . 1 . . . . 97 VAL HA . 16515 1 984 . 1 1 97 97 VAL HB H 1 1.999 0.02 . 1 . . . . 97 VAL HB . 16515 1 985 . 1 1 97 97 VAL HG11 H 1 0.735 0.02 . 2 . . . . 97 VAL QG1 . 16515 1 986 . 1 1 97 97 VAL HG12 H 1 0.735 0.02 . 2 . . . . 97 VAL QG1 . 16515 1 987 . 1 1 97 97 VAL HG13 H 1 0.735 0.02 . 2 . . . . 97 VAL QG1 . 16515 1 988 . 1 1 97 97 VAL HG21 H 1 0.779 0.02 . 2 . . . . 97 VAL QG2 . 16515 1 989 . 1 1 97 97 VAL HG22 H 1 0.779 0.02 . 2 . . . . 97 VAL QG2 . 16515 1 990 . 1 1 97 97 VAL HG23 H 1 0.779 0.02 . 2 . . . . 97 VAL QG2 . 16515 1 991 . 1 1 97 97 VAL C C 13 176.296 0.1 . 1 . . . . 97 VAL C . 16515 1 992 . 1 1 97 97 VAL CA C 13 58.289 0.1 . 1 . . . . 97 VAL CA . 16515 1 993 . 1 1 97 97 VAL CB C 13 35.600 0.1 . 1 . . . . 97 VAL CB . 16515 1 994 . 1 1 97 97 VAL CG1 C 13 21.406 0.1 . 1 . . . . 97 VAL CG1 . 16515 1 995 . 1 1 97 97 VAL CG2 C 13 19.232 0.1 . 1 . . . . 97 VAL CG2 . 16515 1 996 . 1 1 97 97 VAL N N 15 120.810 0.1 . 1 . . . . 97 VAL N . 16515 1 997 . 1 1 98 98 PHE H H 1 9.341 0.02 . 1 . . . . 98 PHE H . 16515 1 998 . 1 1 98 98 PHE HA H 1 5.419 0.02 . 1 . . . . 98 PHE HA . 16515 1 999 . 1 1 98 98 PHE HB2 H 1 2.914 0.02 . 2 . . . . 98 PHE HB2 . 16515 1 1000 . 1 1 98 98 PHE HB3 H 1 2.914 0.02 . 2 . . . . 98 PHE HB3 . 16515 1 1001 . 1 1 98 98 PHE HD1 H 1 7.054 0.02 . 1 . . . . 98 PHE HD1 . 16515 1 1002 . 1 1 98 98 PHE HD2 H 1 7.054 0.02 . 1 . . . . 98 PHE HD2 . 16515 1 1003 . 1 1 98 98 PHE HE1 H 1 7.244 0.02 . 1 . . . . 98 PHE HE1 . 16515 1 1004 . 1 1 98 98 PHE HE2 H 1 7.244 0.02 . 1 . . . . 98 PHE HE2 . 16515 1 1005 . 1 1 98 98 PHE HZ H 1 7.213 0.02 . 1 . . . . 98 PHE HZ . 16515 1 1006 . 1 1 98 98 PHE C C 13 173.933 0.1 . 1 . . . . 98 PHE C . 16515 1 1007 . 1 1 98 98 PHE CA C 13 56.331 0.1 . 1 . . . . 98 PHE CA . 16515 1 1008 . 1 1 98 98 PHE CB C 13 43.045 0.1 . 1 . . . . 98 PHE CB . 16515 1 1009 . 1 1 98 98 PHE CD1 C 13 131.532 0.1 . 1 . . . . 98 PHE CD1 . 16515 1 1010 . 1 1 98 98 PHE CE1 C 13 131.532 0.1 . 1 . . . . 98 PHE CE1 . 16515 1 1011 . 1 1 98 98 PHE CZ C 13 129.978 0.1 . 1 . . . . 98 PHE CZ . 16515 1 1012 . 1 1 98 98 PHE N N 15 121.154 0.1 . 1 . . . . 98 PHE N . 16515 1 1013 . 1 1 99 99 ARG H H 1 8.794 0.02 . 1 . . . . 99 ARG H . 16515 1 1014 . 1 1 99 99 ARG HA H 1 4.563 0.02 . 1 . . . . 99 ARG HA . 16515 1 1015 . 1 1 99 99 ARG HB2 H 1 1.527 0.02 . 2 . . . . 99 ARG HB2 . 16515 1 1016 . 1 1 99 99 ARG HD2 H 1 2.818 0.02 . 2 . . . . 99 ARG HD2 . 16515 1 1017 . 1 1 99 99 ARG HD3 H 1 3.182 0.02 . 2 . . . . 99 ARG HD3 . 16515 1 1018 . 1 1 99 99 ARG C C 13 174.000 0.1 . 1 . . . . 99 ARG C . 16515 1 1019 . 1 1 99 99 ARG CA C 13 54.629 0.1 . 1 . . . . 99 ARG CA . 16515 1 1020 . 1 1 99 99 ARG CB C 13 33.742 0.1 . 1 . . . . 99 ARG CB . 16515 1 1021 . 1 1 99 99 ARG CD C 13 43.148 0.1 . 1 . . . . 99 ARG CD . 16515 1 1022 . 1 1 99 99 ARG N N 15 131.524 0.1 . 1 . . . . 99 ARG N . 16515 1 1023 . 1 1 100 100 GLN H H 1 8.631 0.02 . 1 . . . . 100 GLN H . 16515 1 1024 . 1 1 100 100 GLN HA H 1 4.399 0.02 . 1 . . . . 100 GLN HA . 16515 1 1025 . 1 1 100 100 GLN HB2 H 1 2.088 0.02 . 2 . . . . 100 GLN HB2 . 16515 1 1026 . 1 1 100 100 GLN HE21 H 1 7.680 0.02 . 2 . . . . 100 GLN HE21 . 16515 1 1027 . 1 1 100 100 GLN HE22 H 1 6.939 0.02 . 2 . . . . 100 GLN HE22 . 16515 1 1028 . 1 1 100 100 GLN HG2 H 1 2.415 0.02 . 2 . . . . 100 GLN HG2 . 16515 1 1029 . 1 1 100 100 GLN C C 13 174.134 0.1 . 1 . . . . 100 GLN C . 16515 1 1030 . 1 1 100 100 GLN CA C 13 55.945 0.1 . 1 . . . . 100 GLN CA . 16515 1 1031 . 1 1 100 100 GLN CB C 13 30.355 0.1 . 1 . . . . 100 GLN CB . 16515 1 1032 . 1 1 100 100 GLN CG C 13 34.305 0.1 . 1 . . . . 100 GLN CG . 16515 1 1033 . 1 1 100 100 GLN N N 15 126.346 0.1 . 1 . . . . 100 GLN N . 16515 1 1034 . 1 1 100 100 GLN NE2 N 15 112.194 0.1 . 1 . . . . 100 GLN NE2 . 16515 1 1035 . 1 1 101 101 GLU H H 1 8.554 0.02 . 1 . . . . 101 GLU H . 16515 1 1036 . 1 1 101 101 GLU HA H 1 4.328 0.02 . 1 . . . . 101 GLU HA . 16515 1 1037 . 1 1 101 101 GLU HB2 H 1 1.873 0.02 . 2 . . . . 101 GLU HB2 . 16515 1 1038 . 1 1 101 101 GLU HB3 H 1 2.001 0.02 . 2 . . . . 101 GLU HB3 . 16515 1 1039 . 1 1 101 101 GLU C C 13 175.425 0.1 . 1 . . . . 101 GLU C . 16515 1 1040 . 1 1 101 101 GLU CA C 13 56.568 0.1 . 1 . . . . 101 GLU CA . 16515 1 1041 . 1 1 101 101 GLU CB C 13 31.356 0.1 . 1 . . . . 101 GLU CB . 16515 1 1042 . 1 1 101 101 GLU N N 15 123.404 0.1 . 1 . . . . 101 GLU N . 16515 1 1043 . 1 1 102 102 GLU H H 1 8.451 0.02 . 1 . . . . 102 GLU H . 16515 1 1044 . 1 1 102 102 GLU HA H 1 4.293 0.02 . 1 . . . . 102 GLU HA . 16515 1 1045 . 1 1 102 102 GLU HB2 H 1 1.925 0.02 . 2 . . . . 102 GLU HB2 . 16515 1 1046 . 1 1 102 102 GLU HG2 H 1 2.257 0.02 . 2 . . . . 102 GLU HG2 . 16515 1 1047 . 1 1 102 102 GLU C C 13 176.531 0.1 . 1 . . . . 102 GLU C . 16515 1 1048 . 1 1 102 102 GLU CA C 13 56.676 0.1 . 1 . . . . 102 GLU CA . 16515 1 1049 . 1 1 102 102 GLU CB C 13 31.139 0.1 . 1 . . . . 102 GLU CB . 16515 1 1050 . 1 1 102 102 GLU CG C 13 36.761 0.1 . 1 . . . . 102 GLU CG . 16515 1 1051 . 1 1 102 102 GLU N N 15 121.755 0.1 . 1 . . . . 102 GLU N . 16515 1 1052 . 1 1 103 103 ALA H H 1 8.351 0.02 . 1 . . . . 103 ALA H . 16515 1 1053 . 1 1 103 103 ALA HA H 1 4.268 0.02 . 1 . . . . 103 ALA HA . 16515 1 1054 . 1 1 103 103 ALA HB1 H 1 1.290 0.02 . 1 . . . . 103 ALA QB . 16515 1 1055 . 1 1 103 103 ALA HB2 H 1 1.290 0.02 . 1 . . . . 103 ALA QB . 16515 1 1056 . 1 1 103 103 ALA HB3 H 1 1.290 0.02 . 1 . . . . 103 ALA QB . 16515 1 1057 . 1 1 103 103 ALA C C 13 176.028 0.1 . 1 . . . . 103 ALA C . 16515 1 1058 . 1 1 103 103 ALA CA C 13 52.537 0.1 . 1 . . . . 103 ALA CA . 16515 1 1059 . 1 1 103 103 ALA CB C 13 19.762 0.1 . 1 . . . . 103 ALA CB . 16515 1 1060 . 1 1 103 103 ALA N N 15 125.211 0.1 . 1 . . . . 103 ALA N . 16515 1 1061 . 1 1 104 104 PHE H H 1 8.151 0.02 . 1 . . . . 104 PHE H . 16515 1 1062 . 1 1 104 104 PHE HA H 1 4.586 0.02 . 1 . . . . 104 PHE HA . 16515 1 1063 . 1 1 104 104 PHE HB2 H 1 3.009 0.02 . 2 . . . . 104 PHE HB2 . 16515 1 1064 . 1 1 104 104 PHE HD1 H 1 7.205 0.02 . 1 . . . . 104 PHE HD1 . 16515 1 1065 . 1 1 104 104 PHE HD2 H 1 7.205 0.02 . 1 . . . . 104 PHE HD2 . 16515 1 1066 . 1 1 104 104 PHE HE1 H 1 7.304 0.02 . 1 . . . . 104 PHE HE1 . 16515 1 1067 . 1 1 104 104 PHE HE2 H 1 7.304 0.02 . 1 . . . . 104 PHE HE2 . 16515 1 1068 . 1 1 104 104 PHE C C 13 177.000 0.1 . 1 . . . . 104 PHE C . 16515 1 1069 . 1 1 104 104 PHE CA C 13 57.774 0.1 . 1 . . . . 104 PHE CA . 16515 1 1070 . 1 1 104 104 PHE CB C 13 39.808 0.1 . 1 . . . . 104 PHE CB . 16515 1 1071 . 1 1 104 104 PHE CD1 C 13 131.791 0.1 . 1 . . . . 104 PHE CD1 . 16515 1 1072 . 1 1 104 104 PHE CE1 C 13 131.791 0.1 . 1 . . . . 104 PHE CE1 . 16515 1 1073 . 1 1 104 104 PHE N N 15 119.697 0.1 . 1 . . . . 104 PHE N . 16515 1 1074 . 1 1 105 105 HIS H H 1 8.156 0.02 . 1 . . . . 105 HIS H . 16515 1 1075 . 1 1 105 105 HIS HA H 1 4.848 0.02 . 1 . . . . 105 HIS HA . 16515 1 1076 . 1 1 105 105 HIS HB2 H 1 2.946 0.02 . 2 . . . . 105 HIS HB2 . 16515 1 1077 . 1 1 105 105 HIS HB3 H 1 3.065 0.02 . 2 . . . . 105 HIS HB3 . 16515 1 1078 . 1 1 105 105 HIS HD2 H 1 7.029 0.02 . 1 . . . . 105 HIS HD2 . 16515 1 1079 . 1 1 105 105 HIS HE1 H 1 7.921 0.02 . 1 . . . . 105 HIS HE1 . 16515 1 1080 . 1 1 105 105 HIS C C 13 174.972 0.1 . 1 . . . . 105 HIS C . 16515 1 1081 . 1 1 105 105 HIS CA C 13 53.844 0.1 . 1 . . . . 105 HIS CA . 16515 1 1082 . 1 1 105 105 HIS CB C 13 30.744 0.1 . 1 . . . . 105 HIS CB . 16515 1 1083 . 1 1 105 105 HIS CD2 C 13 120.397 0.1 . 1 . . . . 105 HIS CD2 . 16515 1 1084 . 1 1 105 105 HIS CE1 C 13 138.264 0.1 . 1 . . . . 105 HIS CE1 . 16515 1 1085 . 1 1 105 105 HIS N N 15 123.937 0.1 . 1 . . . . 105 HIS N . 16515 1 1086 . 1 1 106 106 PRO HA H 1 4.352 0.02 . 1 . . . . 106 PRO HA . 16515 1 1087 . 1 1 106 106 PRO HB2 H 1 1.925 0.02 . 2 . . . . 106 PRO HB2 . 16515 1 1088 . 1 1 106 106 PRO HB3 H 1 2.312 0.02 . 2 . . . . 106 PRO HB3 . 16515 1 1089 . 1 1 106 106 PRO CA C 13 63.438 0.1 . 1 . . . . 106 PRO CA . 16515 1 1090 . 1 1 106 106 PRO CB C 13 31.301 0.1 . 1 . . . . 106 PRO CB . 16515 1 1091 . 1 1 107 107 ARG H H 1 8.710 0.02 . 1 . . . . 107 ARG H . 16515 1 1092 . 1 1 107 107 ARG HA H 1 4.355 0.02 . 1 . . . . 107 ARG HA . 16515 1 1093 . 1 1 107 107 ARG HB2 H 1 1.867 0.02 . 2 . . . . 107 ARG HB2 . 16515 1 1094 . 1 1 107 107 ARG HB3 H 1 1.972 0.02 . 2 . . . . 107 ARG HB3 . 16515 1 1095 . 1 1 107 107 ARG HD2 H 1 3.545 0.02 . 2 . . . . 107 ARG HD2 . 16515 1 1096 . 1 1 107 107 ARG HG2 H 1 1.672 0.02 . 2 . . . . 107 ARG HG2 . 16515 1 1097 . 1 1 107 107 ARG C C 13 177.000 0.1 . 1 . . . . 107 ARG C . 16515 1 1098 . 1 1 107 107 ARG CA C 13 56.632 0.1 . 1 . . . . 107 ARG CA . 16515 1 1099 . 1 1 107 107 ARG CB C 13 31.566 0.1 . 1 . . . . 107 ARG CB . 16515 1 1100 . 1 1 107 107 ARG CG C 13 27.656 0.1 . 1 . . . . 107 ARG CG . 16515 1 1101 . 1 1 107 107 ARG N N 15 121.425 0.1 . 1 . . . . 107 ARG N . 16515 1 1102 . 1 1 108 108 GLU H H 1 8.521 0.02 . 1 . . . . 108 GLU H . 16515 1 1103 . 1 1 108 108 GLU HA H 1 4.495 0.02 . 1 . . . . 108 GLU HA . 16515 1 1104 . 1 1 108 108 GLU HB2 H 1 1.750 0.02 . 2 . . . . 108 GLU HB2 . 16515 1 1105 . 1 1 108 108 GLU HB3 H 1 1.972 0.02 . 2 . . . . 108 GLU HB3 . 16515 1 1106 . 1 1 108 108 GLU C C 13 176.011 0.1 . 1 . . . . 108 GLU C . 16515 1 1107 . 1 1 108 108 GLU CA C 13 56.723 0.1 . 1 . . . . 108 GLU CA . 16515 1 1108 . 1 1 108 108 GLU CB C 13 30.927 0.1 . 1 . . . . 108 GLU CB . 16515 1 1109 . 1 1 108 108 GLU N N 15 122.270 0.1 . 1 . . . . 108 GLU N . 16515 1 1110 . 1 1 109 109 MET H H 1 8.373 0.02 . 1 . . . . 109 MET H . 16515 1 1111 . 1 1 109 109 MET HA H 1 4.530 0.02 . 1 . . . . 109 MET HA . 16515 1 1112 . 1 1 109 109 MET HB2 H 1 2.095 0.02 . 2 . . . . 109 MET HB2 . 16515 1 1113 . 1 1 109 109 MET HB3 H 1 2.095 0.02 . 2 . . . . 109 MET HB3 . 16515 1 1114 . 1 1 109 109 MET C C 13 175.123 0.1 . 1 . . . . 109 MET C . 16515 1 1115 . 1 1 109 109 MET CA C 13 55.678 0.1 . 1 . . . . 109 MET CA . 16515 1 1116 . 1 1 109 109 MET CB C 13 33.738 0.1 . 1 . . . . 109 MET CB . 16515 1 1117 . 1 1 109 109 MET N N 15 121.134 0.1 . 1 . . . . 109 MET N . 16515 1 1118 . 1 1 110 110 ASN H H 1 8.479 0.02 . 1 . . . . 110 ASN H . 16515 1 1119 . 1 1 110 110 ASN HA H 1 4.704 0.02 . 1 . . . . 110 ASN HA . 16515 1 1120 . 1 1 110 110 ASN HB2 H 1 2.848 0.02 . 2 . . . . 110 ASN HB2 . 16515 1 1121 . 1 1 110 110 ASN HD21 H 1 7.577 0.02 . 2 . . . . 110 ASN HD21 . 16515 1 1122 . 1 1 110 110 ASN HD22 H 1 6.899 0.02 . 2 . . . . 110 ASN HD22 . 16515 1 1123 . 1 1 110 110 ASN C C 13 175.743 0.1 . 1 . . . . 110 ASN C . 16515 1 1124 . 1 1 110 110 ASN CA C 13 53.625 0.1 . 1 . . . . 110 ASN CA . 16515 1 1125 . 1 1 110 110 ASN CB C 13 39.160 0.1 . 1 . . . . 110 ASN CB . 16515 1 1126 . 1 1 110 110 ASN N N 15 120.351 0.1 . 1 . . . . 110 ASN N . 16515 1 1127 . 1 1 110 110 ASN ND2 N 15 112.551 0.1 . 1 . . . . 110 ASN ND2 . 16515 1 1128 . 1 1 111 111 ALA H H 1 7.927 0.02 . 1 . . . . 111 ALA H . 16515 1 1129 . 1 1 111 111 ALA HA H 1 4.113 0.02 . 1 . . . . 111 ALA HA . 16515 1 1130 . 1 1 111 111 ALA HB1 H 1 1.380 0.02 . 1 . . . . 111 ALA QB . 16515 1 1131 . 1 1 111 111 ALA HB2 H 1 1.380 0.02 . 1 . . . . 111 ALA QB . 16515 1 1132 . 1 1 111 111 ALA HB3 H 1 1.380 0.02 . 1 . . . . 111 ALA QB . 16515 1 1133 . 1 1 111 111 ALA C C 13 173.866 0.1 . 1 . . . . 111 ALA C . 16515 1 1134 . 1 1 111 111 ALA CA C 13 54.168 0.1 . 1 . . . . 111 ALA CA . 16515 1 1135 . 1 1 111 111 ALA CB C 13 20.527 0.1 . 1 . . . . 111 ALA CB . 16515 1 1136 . 1 1 111 111 ALA N N 15 129.676 0.1 . 1 . . . . 111 ALA N . 16515 1 stop_ save_