data_16712 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16712 _Entry.Title ; 1H, 13C and 15N backbone and side-chain chemical shift assignments for oxidized desulthioredoxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-08 _Entry.Accession_date 2010-02-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edwige Garcin . B. . 16712 2 Olivier Bornet . . . 16712 3 Corinne Sebban-Kreuzer . . . 16712 4 Francoise Guerlesquin . . . 16712 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Universite de Provence' . 16712 1 . CNRS . 16712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 16712 '15N chemical shifts' 114 16712 '1H chemical shifts' 769 16712 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2010-02-08 update BMRB 'Update entry citation' 16712 1 . . 2010-04-26 2010-02-08 original author 'original release' 16712 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16713 'reduced desulthioredoxin' 16712 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16712 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20390383 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N backbone and side-chain chemical shift assignments for oxidized and reduced desulfothioredoxin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 135 _Citation.Page_last 137 _Citation.Year 2010 _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 Edwige Garcin . B. . 16712 1 2 Olivier Bornet . . . 16712 1 3 Laetitia Pieulle . . . 16712 1 4 Francoise Guerlesquin . . . 16712 1 5 Corinne Sebban-Kreuzer . . . 16712 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16712 _Assembly.ID 1 _Assembly.Name desulfothioredoxin _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 12362.3 _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 desulfothioredoxin 1 $Desulfothioredoxin A . yes native no no . . . 16712 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . 16712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Desulfothioredoxin _Entity.Sf_category entity _Entity.Sf_framecode Desulfothioredoxin _Entity.Entry_ID 16712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Desulfothioredoxin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSAIRDITTEAGMAHFEGLS DAIVFFHKNLCPHCKNMEKV LDKFGARAPQVAISSVDSEA RPELMKELGFERVPTLVFIR DGKVAKVFSGIMNPRELQAL YASIHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12362.3 _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 16713 . Desulfothioredoxin . . . . . 100.00 110 100.00 100.00 3.02e-74 . . . . 16712 1 2 no PDB 2L6C . "Solution Structure Of Desulfothioredoxin From Desulfovibrio Vulgaris Hildenborough In Its Oxidized Form" . . . . . 100.00 110 100.00 100.00 3.02e-74 . . . . 16712 1 3 no PDB 2L6D . "Solution Structure Of Desulfothioredoxin From Desulfovibrio Vulgaris Hildenborough In Its Reduced Form" . . . . . 100.00 110 100.00 100.00 3.02e-74 . . . . 16712 1 4 no GB AAS94861 . "thioredoxin, putative [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 94.55 104 100.00 100.00 2.24e-69 . . . . 16712 1 5 no GB ABM29571 . "glutaredoxin [Desulfovibrio vulgaris DP4]" . . . . . 94.55 104 100.00 100.00 2.24e-69 . . . . 16712 1 6 no GB ADP85513 . "glutaredoxin [Desulfovibrio vulgaris RCH1]" . . . . . 94.55 104 100.00 100.00 2.24e-69 . . . . 16712 1 7 no REF WP_010937685 . "thioredoxin [Desulfovibrio vulgaris]" . . . . . 94.55 104 100.00 100.00 2.24e-69 . . . . 16712 1 8 no REF YP_009602 . "thioredoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 94.55 104 100.00 100.00 2.24e-69 . . . . 16712 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16712 1 2 . SER . 16712 1 3 . ALA . 16712 1 4 . ILE . 16712 1 5 . ARG . 16712 1 6 . ASP . 16712 1 7 . ILE . 16712 1 8 . THR . 16712 1 9 . THR . 16712 1 10 . GLU . 16712 1 11 . ALA . 16712 1 12 . GLY . 16712 1 13 . MET . 16712 1 14 . ALA . 16712 1 15 . HIS . 16712 1 16 . PHE . 16712 1 17 . GLU . 16712 1 18 . GLY . 16712 1 19 . LEU . 16712 1 20 . SER . 16712 1 21 . ASP . 16712 1 22 . ALA . 16712 1 23 . ILE . 16712 1 24 . VAL . 16712 1 25 . PHE . 16712 1 26 . PHE . 16712 1 27 . HIS . 16712 1 28 . LYS . 16712 1 29 . ASN . 16712 1 30 . LEU . 16712 1 31 . CYS . 16712 1 32 . PRO . 16712 1 33 . HIS . 16712 1 34 . CYS . 16712 1 35 . LYS . 16712 1 36 . ASN . 16712 1 37 . MET . 16712 1 38 . GLU . 16712 1 39 . LYS . 16712 1 40 . VAL . 16712 1 41 . LEU . 16712 1 42 . ASP . 16712 1 43 . LYS . 16712 1 44 . PHE . 16712 1 45 . GLY . 16712 1 46 . ALA . 16712 1 47 . ARG . 16712 1 48 . ALA . 16712 1 49 . PRO . 16712 1 50 . GLN . 16712 1 51 . VAL . 16712 1 52 . ALA . 16712 1 53 . ILE . 16712 1 54 . SER . 16712 1 55 . SER . 16712 1 56 . VAL . 16712 1 57 . ASP . 16712 1 58 . SER . 16712 1 59 . GLU . 16712 1 60 . ALA . 16712 1 61 . ARG . 16712 1 62 . PRO . 16712 1 63 . GLU . 16712 1 64 . LEU . 16712 1 65 . MET . 16712 1 66 . LYS . 16712 1 67 . GLU . 16712 1 68 . LEU . 16712 1 69 . GLY . 16712 1 70 . PHE . 16712 1 71 . GLU . 16712 1 72 . ARG . 16712 1 73 . VAL . 16712 1 74 . PRO . 16712 1 75 . THR . 16712 1 76 . LEU . 16712 1 77 . VAL . 16712 1 78 . PHE . 16712 1 79 . ILE . 16712 1 80 . ARG . 16712 1 81 . ASP . 16712 1 82 . GLY . 16712 1 83 . LYS . 16712 1 84 . VAL . 16712 1 85 . ALA . 16712 1 86 . LYS . 16712 1 87 . VAL . 16712 1 88 . PHE . 16712 1 89 . SER . 16712 1 90 . GLY . 16712 1 91 . ILE . 16712 1 92 . MET . 16712 1 93 . ASN . 16712 1 94 . PRO . 16712 1 95 . ARG . 16712 1 96 . GLU . 16712 1 97 . LEU . 16712 1 98 . GLN . 16712 1 99 . ALA . 16712 1 100 . LEU . 16712 1 101 . TYR . 16712 1 102 . ALA . 16712 1 103 . SER . 16712 1 104 . ILE . 16712 1 105 . HIS . 16712 1 106 . HIS . 16712 1 107 . HIS . 16712 1 108 . HIS . 16712 1 109 . HIS . 16712 1 110 . HIS . 16712 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16712 1 . SER 2 2 16712 1 . ALA 3 3 16712 1 . ILE 4 4 16712 1 . ARG 5 5 16712 1 . ASP 6 6 16712 1 . ILE 7 7 16712 1 . THR 8 8 16712 1 . THR 9 9 16712 1 . GLU 10 10 16712 1 . ALA 11 11 16712 1 . GLY 12 12 16712 1 . MET 13 13 16712 1 . ALA 14 14 16712 1 . HIS 15 15 16712 1 . PHE 16 16 16712 1 . GLU 17 17 16712 1 . GLY 18 18 16712 1 . LEU 19 19 16712 1 . SER 20 20 16712 1 . ASP 21 21 16712 1 . ALA 22 22 16712 1 . ILE 23 23 16712 1 . VAL 24 24 16712 1 . PHE 25 25 16712 1 . PHE 26 26 16712 1 . HIS 27 27 16712 1 . LYS 28 28 16712 1 . ASN 29 29 16712 1 . LEU 30 30 16712 1 . CYS 31 31 16712 1 . PRO 32 32 16712 1 . HIS 33 33 16712 1 . CYS 34 34 16712 1 . LYS 35 35 16712 1 . ASN 36 36 16712 1 . MET 37 37 16712 1 . GLU 38 38 16712 1 . LYS 39 39 16712 1 . VAL 40 40 16712 1 . LEU 41 41 16712 1 . ASP 42 42 16712 1 . LYS 43 43 16712 1 . PHE 44 44 16712 1 . GLY 45 45 16712 1 . ALA 46 46 16712 1 . ARG 47 47 16712 1 . ALA 48 48 16712 1 . PRO 49 49 16712 1 . GLN 50 50 16712 1 . VAL 51 51 16712 1 . ALA 52 52 16712 1 . ILE 53 53 16712 1 . SER 54 54 16712 1 . SER 55 55 16712 1 . VAL 56 56 16712 1 . ASP 57 57 16712 1 . SER 58 58 16712 1 . GLU 59 59 16712 1 . ALA 60 60 16712 1 . ARG 61 61 16712 1 . PRO 62 62 16712 1 . GLU 63 63 16712 1 . LEU 64 64 16712 1 . MET 65 65 16712 1 . LYS 66 66 16712 1 . GLU 67 67 16712 1 . LEU 68 68 16712 1 . GLY 69 69 16712 1 . PHE 70 70 16712 1 . GLU 71 71 16712 1 . ARG 72 72 16712 1 . VAL 73 73 16712 1 . PRO 74 74 16712 1 . THR 75 75 16712 1 . LEU 76 76 16712 1 . VAL 77 77 16712 1 . PHE 78 78 16712 1 . ILE 79 79 16712 1 . ARG 80 80 16712 1 . ASP 81 81 16712 1 . GLY 82 82 16712 1 . LYS 83 83 16712 1 . VAL 84 84 16712 1 . ALA 85 85 16712 1 . LYS 86 86 16712 1 . VAL 87 87 16712 1 . PHE 88 88 16712 1 . SER 89 89 16712 1 . GLY 90 90 16712 1 . ILE 91 91 16712 1 . MET 92 92 16712 1 . ASN 93 93 16712 1 . PRO 94 94 16712 1 . ARG 95 95 16712 1 . GLU 96 96 16712 1 . LEU 97 97 16712 1 . GLN 98 98 16712 1 . ALA 99 99 16712 1 . LEU 100 100 16712 1 . TYR 101 101 16712 1 . ALA 102 102 16712 1 . SER 103 103 16712 1 . ILE 104 104 16712 1 . HIS 105 105 16712 1 . HIS 106 106 16712 1 . HIS 107 107 16712 1 . HIS 108 108 16712 1 . HIS 109 109 16712 1 . HIS 110 110 16712 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 16712 _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 $Desulfothioredoxin . 881 organism . 'Desulfovibrio vulgaris' 'Desulfovibrio vulgaris' . . Eubacteria . Desulfovibrio vulgaris Hildenborough . . . . . . . . . . . . . . . DVU378 . . . . 16712 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 16712 _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 $Desulfothioredoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJF . . . . . . 16712 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16712 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'oxidized desulfothioredoxin' '[U-99% 13C; U-99% 15N]' . . 1 $Desulfothioredoxin . . 1 . . mM . . . . 16712 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16712 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16712 1 4 'Potassium phosphate' 'natural abundance' . . . . . . 0.05 . . M . . . . 16712 1 5 NaCl 'natural abundance' . . . . . . 0.1 . . M . . . . 16712 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 16712 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16712 1 pH 5.5 . pH 16712 1 pressure 1 . atm 16712 1 temperature 290 . K 16712 1 stop_ save_ ############################ # Computer software used # ############################ save_cara _Software.Sf_category software _Software.Sf_framecode cara _Software.Entry_ID 16712 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16712 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16712 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16712 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16712 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 16712 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16712 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 16712 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.689 internal indirect 0.25144953 . . . . . . . . . 16712 1 H 1 water protons . . . . ppm 4.689 internal direct 1.0 . . . . . . . . . 16712 1 N 15 water protons . . . . ppm 4.689 internal indirect 0.1013291 . . . . . . . . . 16712 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 16712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16712 1 2 '2D 1H-13C HSQC' . . . 16712 1 3 '2D 1H-1H TOCSY' . . . 16712 1 4 '2D 1H-1H NOESY' . . . 16712 1 5 '3D CBCA(CO)NH' . . . 16712 1 6 '3D HNCACB' . . . 16712 1 7 '3D HNCA' . . . 16712 1 8 '3D HN(CO)CA' . . . 16712 1 9 '3D HNCO' . . . 16712 1 10 '3D HBHA(CO)NH' . . . 16712 1 11 '3D HCCH-TOCSY' . . . 16712 1 12 '3D 1H-15N NOESY' . . . 16712 1 13 '3D 1H-13C NOESY' . . . 16712 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $cara . . 16712 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 ALA H H 1 8.657 0.020 . 1 . . . . 3 ALA H . 16712 1 2 . 1 1 3 3 ALA HA H 1 4.235 0.020 . 1 . . . . 3 ALA HA . 16712 1 3 . 1 1 3 3 ALA HB1 H 1 1.185 0.020 . 1 . . . . 3 ALA HB . 16712 1 4 . 1 1 3 3 ALA HB2 H 1 1.185 0.020 . 1 . . . . 3 ALA HB . 16712 1 5 . 1 1 3 3 ALA HB3 H 1 1.185 0.020 . 1 . . . . 3 ALA HB . 16712 1 6 . 1 1 3 3 ALA C C 13 174.338 0.3 . 1 . . . . 3 ALA C . 16712 1 7 . 1 1 3 3 ALA CA C 13 49.361 0.3 . 1 . . . . 3 ALA CA . 16712 1 8 . 1 1 3 3 ALA CB C 13 16.298 0.3 . 1 . . . . 3 ALA CB . 16712 1 9 . 1 1 3 3 ALA N N 15 125.276 0.3 . 1 . . . . 3 ALA N . 16712 1 10 . 1 1 4 4 ILE H H 1 8.188 0.020 . 1 . . . . 4 ILE H . 16712 1 11 . 1 1 4 4 ILE HA H 1 3.820 0.020 . 1 . . . . 4 ILE HA . 16712 1 12 . 1 1 4 4 ILE HB H 1 1.491 0.020 . 1 . . . . 4 ILE HB . 16712 1 13 . 1 1 4 4 ILE HD11 H 1 0.560 0.020 . 1 . . . . 4 ILE HD1 . 16712 1 14 . 1 1 4 4 ILE HD12 H 1 0.560 0.020 . 1 . . . . 4 ILE HD1 . 16712 1 15 . 1 1 4 4 ILE HD13 H 1 0.560 0.020 . 1 . . . . 4 ILE HD1 . 16712 1 16 . 1 1 4 4 ILE HG12 H 1 1.469 0.020 . 2 . . . . 4 ILE HG12 . 16712 1 17 . 1 1 4 4 ILE HG13 H 1 0.585 0.020 . 2 . . . . 4 ILE HG13 . 16712 1 18 . 1 1 4 4 ILE HG21 H 1 0.543 0.020 . 1 . . . . 4 ILE HG2 . 16712 1 19 . 1 1 4 4 ILE HG22 H 1 0.543 0.020 . 1 . . . . 4 ILE HG2 . 16712 1 20 . 1 1 4 4 ILE HG23 H 1 0.543 0.020 . 1 . . . . 4 ILE HG2 . 16712 1 21 . 1 1 4 4 ILE C C 13 173.416 0.3 . 1 . . . . 4 ILE C . 16712 1 22 . 1 1 4 4 ILE CA C 13 58.903 0.3 . 1 . . . . 4 ILE CA . 16712 1 23 . 1 1 4 4 ILE CB C 13 35.216 0.3 . 1 . . . . 4 ILE CB . 16712 1 24 . 1 1 4 4 ILE CD1 C 13 10.751 0.3 . 1 . . . . 4 ILE CD1 . 16712 1 25 . 1 1 4 4 ILE CG1 C 13 24.296 0.3 . 1 . . . . 4 ILE CG1 . 16712 1 26 . 1 1 4 4 ILE CG2 C 13 14.280 0.3 . 1 . . . . 4 ILE CG2 . 16712 1 27 . 1 1 4 4 ILE N N 15 121.889 0.3 . 1 . . . . 4 ILE N . 16712 1 28 . 1 1 5 5 ARG H H 1 8.049 0.020 . 1 . . . . 5 ARG H . 16712 1 29 . 1 1 5 5 ARG HA H 1 4.073 0.020 . 1 . . . . 5 ARG HA . 16712 1 30 . 1 1 5 5 ARG HB2 H 1 1.687 0.020 . 2 . . . . 5 ARG HB2 . 16712 1 31 . 1 1 5 5 ARG HB3 H 1 1.422 0.020 . 2 . . . . 5 ARG HB3 . 16712 1 32 . 1 1 5 5 ARG HD2 H 1 2.991 0.020 . 1 . . . . 5 ARG HD2 . 16712 1 33 . 1 1 5 5 ARG HD3 H 1 2.991 0.020 . 1 . . . . 5 ARG HD3 . 16712 1 34 . 1 1 5 5 ARG HE H 1 7.121 0.020 . 1 . . . . 5 ARG HE . 16712 1 35 . 1 1 5 5 ARG HG2 H 1 1.307 0.020 . 1 . . . . 5 ARG HG2 . 16712 1 36 . 1 1 5 5 ARG HG3 H 1 1.307 0.020 . 1 . . . . 5 ARG HG3 . 16712 1 37 . 1 1 5 5 ARG C C 13 171.959 0.3 . 1 . . . . 5 ARG C . 16712 1 38 . 1 1 5 5 ARG CA C 13 52.717 0.3 . 1 . . . . 5 ARG CA . 16712 1 39 . 1 1 5 5 ARG CB C 13 28.793 0.3 . 1 . . . . 5 ARG CB . 16712 1 40 . 1 1 5 5 ARG CD C 13 40.510 0.3 . 1 . . . . 5 ARG CD . 16712 1 41 . 1 1 5 5 ARG CG C 13 24.228 0.3 . 1 . . . . 5 ARG CG . 16712 1 42 . 1 1 5 5 ARG N N 15 130.589 0.3 . 1 . . . . 5 ARG N . 16712 1 43 . 1 1 5 5 ARG NE N 15 83.900 0.3 . 1 . . . . 5 ARG NE . 16712 1 44 . 1 1 6 6 ASP H H 1 8.624 0.020 . 1 . . . . 6 ASP H . 16712 1 45 . 1 1 6 6 ASP HA H 1 4.851 0.020 . 1 . . . . 6 ASP HA . 16712 1 46 . 1 1 6 6 ASP HB2 H 1 2.703 0.020 . 2 . . . . 6 ASP HB2 . 16712 1 47 . 1 1 6 6 ASP HB3 H 1 2.410 0.020 . 2 . . . . 6 ASP HB3 . 16712 1 48 . 1 1 6 6 ASP C C 13 174.804 0.3 . 1 . . . . 6 ASP C . 16712 1 49 . 1 1 6 6 ASP CA C 13 51.142 0.3 . 1 . . . . 6 ASP CA . 16712 1 50 . 1 1 6 6 ASP CB C 13 38.560 0.3 . 1 . . . . 6 ASP CB . 16712 1 51 . 1 1 6 6 ASP CG C 13 177.714 0.3 . 1 . . . . 6 ASP CG . 16712 1 52 . 1 1 6 6 ASP N N 15 126.007 0.3 . 1 . . . . 6 ASP N . 16712 1 53 . 1 1 7 7 ILE H H 1 9.181 0.020 . 1 . . . . 7 ILE H . 16712 1 54 . 1 1 7 7 ILE HA H 1 4.705 0.020 . 1 . . . . 7 ILE HA . 16712 1 55 . 1 1 7 7 ILE HB H 1 1.649 0.020 . 1 . . . . 7 ILE HB . 16712 1 56 . 1 1 7 7 ILE HD11 H 1 0.657 0.020 . 1 . . . . 7 ILE HD1 . 16712 1 57 . 1 1 7 7 ILE HD12 H 1 0.657 0.020 . 1 . . . . 7 ILE HD1 . 16712 1 58 . 1 1 7 7 ILE HD13 H 1 0.657 0.020 . 1 . . . . 7 ILE HD1 . 16712 1 59 . 1 1 7 7 ILE HG12 H 1 0.914 0.020 . 2 . . . . 7 ILE HG12 . 16712 1 60 . 1 1 7 7 ILE HG13 H 1 0.849 0.020 . 2 . . . . 7 ILE HG13 . 16712 1 61 . 1 1 7 7 ILE HG21 H 1 0.689 0.020 . 1 . . . . 7 ILE HG2 . 16712 1 62 . 1 1 7 7 ILE HG22 H 1 0.689 0.020 . 1 . . . . 7 ILE HG2 . 16712 1 63 . 1 1 7 7 ILE HG23 H 1 0.689 0.020 . 1 . . . . 7 ILE HG2 . 16712 1 64 . 1 1 7 7 ILE C C 13 173.052 0.3 . 1 . . . . 7 ILE C . 16712 1 65 . 1 1 7 7 ILE CA C 13 57.474 0.3 . 1 . . . . 7 ILE CA . 16712 1 66 . 1 1 7 7 ILE CB C 13 36.096 0.3 . 1 . . . . 7 ILE CB . 16712 1 67 . 1 1 7 7 ILE CD1 C 13 12.783 0.3 . 1 . . . . 7 ILE CD1 . 16712 1 68 . 1 1 7 7 ILE CG1 C 13 23.449 0.3 . 1 . . . . 7 ILE CG1 . 16712 1 69 . 1 1 7 7 ILE CG2 C 13 13.292 0.3 . 1 . . . . 7 ILE CG2 . 16712 1 70 . 1 1 7 7 ILE N N 15 122.022 0.3 . 1 . . . . 7 ILE N . 16712 1 71 . 1 1 8 8 THR H H 1 8.412 0.020 . 1 . . . . 8 THR H . 16712 1 72 . 1 1 8 8 THR HA H 1 3.489 0.020 . 1 . . . . 8 THR HA . 16712 1 73 . 1 1 8 8 THR HB H 1 4.050 0.020 . 1 . . . . 8 THR HB . 16712 1 74 . 1 1 8 8 THR HG21 H 1 1.097 0.020 . 1 . . . . 8 THR HG2 . 16712 1 75 . 1 1 8 8 THR HG22 H 1 1.097 0.020 . 1 . . . . 8 THR HG2 . 16712 1 76 . 1 1 8 8 THR HG23 H 1 1.097 0.020 . 1 . . . . 8 THR HG2 . 16712 1 77 . 1 1 8 8 THR C C 13 171.987 0.3 . 1 . . . . 8 THR C . 16712 1 78 . 1 1 8 8 THR CA C 13 66.867 0.3 . 1 . . . . 8 THR CA . 16712 1 79 . 1 1 8 8 THR CB C 13 66.014 0.3 . 1 . . . . 8 THR CB . 16712 1 80 . 1 1 8 8 THR CG2 C 13 19.708 0.3 . 1 . . . . 8 THR CG2 . 16712 1 81 . 1 1 8 8 THR N N 15 120.182 0.3 . 1 . . . . 8 THR N . 16712 1 82 . 1 1 9 9 THR H H 1 8.148 0.020 . 1 . . . . 9 THR H . 16712 1 83 . 1 1 9 9 THR HA H 1 3.832 0.020 . 1 . . . . 9 THR HA . 16712 1 84 . 1 1 9 9 THR HB H 1 3.938 0.020 . 1 . . . . 9 THR HB . 16712 1 85 . 1 1 9 9 THR HG21 H 1 0.983 0.020 . 1 . . . . 9 THR HG2 . 16712 1 86 . 1 1 9 9 THR HG22 H 1 0.983 0.020 . 1 . . . . 9 THR HG2 . 16712 1 87 . 1 1 9 9 THR HG23 H 1 0.983 0.020 . 1 . . . . 9 THR HG2 . 16712 1 88 . 1 1 9 9 THR C C 13 172.665 0.3 . 1 . . . . 9 THR C . 16712 1 89 . 1 1 9 9 THR CA C 13 62.530 0.3 . 1 . . . . 9 THR CA . 16712 1 90 . 1 1 9 9 THR CB C 13 65.662 0.3 . 1 . . . . 9 THR CB . 16712 1 91 . 1 1 9 9 THR CG2 C 13 18.833 0.3 . 1 . . . . 9 THR CG2 . 16712 1 92 . 1 1 9 9 THR N N 15 110.599 0.3 . 1 . . . . 9 THR N . 16712 1 93 . 1 1 10 10 GLU H H 1 8.031 0.020 . 1 . . . . 10 GLU H . 16712 1 94 . 1 1 10 10 GLU HA H 1 3.953 0.020 . 1 . . . . 10 GLU HA . 16712 1 95 . 1 1 10 10 GLU HB2 H 1 1.438 0.020 . 1 . . . . 10 GLU HB2 . 16712 1 96 . 1 1 10 10 GLU HB3 H 1 1.438 0.020 . 1 . . . . 10 GLU HB3 . 16712 1 97 . 1 1 10 10 GLU HG2 H 1 1.860 0.020 . 2 . . . . 10 GLU HG2 . 16712 1 98 . 1 1 10 10 GLU HG3 H 1 1.766 0.020 . 2 . . . . 10 GLU HG3 . 16712 1 99 . 1 1 10 10 GLU C C 13 176.133 0.3 . 1 . . . . 10 GLU C . 16712 1 100 . 1 1 10 10 GLU CA C 13 54.264 0.3 . 1 . . . . 10 GLU CA . 16712 1 101 . 1 1 10 10 GLU CB C 13 27.561 0.3 . 1 . . . . 10 GLU CB . 16712 1 102 . 1 1 10 10 GLU CD C 13 180.571 0.3 . 1 . . . . 10 GLU CD . 16712 1 103 . 1 1 10 10 GLU CG C 13 32.947 0.3 . 1 . . . . 10 GLU CG . 16712 1 104 . 1 1 10 10 GLU N N 15 119.888 0.3 . 1 . . . . 10 GLU N . 16712 1 105 . 1 1 11 11 ALA H H 1 7.856 0.020 . 1 . . . . 11 ALA H . 16712 1 106 . 1 1 11 11 ALA HA H 1 3.221 0.020 . 1 . . . . 11 ALA HA . 16712 1 107 . 1 1 11 11 ALA HB1 H 1 1.010 0.020 . 1 . . . . 11 ALA HB . 16712 1 108 . 1 1 11 11 ALA HB2 H 1 1.010 0.020 . 1 . . . . 11 ALA HB . 16712 1 109 . 1 1 11 11 ALA HB3 H 1 1.010 0.020 . 1 . . . . 11 ALA HB . 16712 1 110 . 1 1 11 11 ALA C C 13 172.452 0.3 . 1 . . . . 11 ALA C . 16712 1 111 . 1 1 11 11 ALA CA C 13 50.847 0.3 . 1 . . . . 11 ALA CA . 16712 1 112 . 1 1 11 11 ALA CB C 13 16.939 0.3 . 1 . . . . 11 ALA CB . 16712 1 113 . 1 1 11 11 ALA N N 15 119.017 0.3 . 1 . . . . 11 ALA N . 16712 1 114 . 1 1 12 12 GLY H H 1 5.572 0.020 . 1 . . . . 12 GLY H . 16712 1 115 . 1 1 12 12 GLY HA2 H 1 4.159 0.020 . 2 . . . . 12 GLY HA2 . 16712 1 116 . 1 1 12 12 GLY HA3 H 1 3.291 0.020 . 2 . . . . 12 GLY HA3 . 16712 1 117 . 1 1 12 12 GLY C C 13 168.822 0.3 . 1 . . . . 12 GLY C . 16712 1 118 . 1 1 12 12 GLY CA C 13 41.117 0.3 . 1 . . . . 12 GLY CA . 16712 1 119 . 1 1 12 12 GLY N N 15 105.355 0.3 . 1 . . . . 12 GLY N . 16712 1 120 . 1 1 13 13 MET H H 1 9.099 0.020 . 1 . . . . 13 MET H . 16712 1 121 . 1 1 13 13 MET HA H 1 4.068 0.020 . 1 . . . . 13 MET HA . 16712 1 122 . 1 1 13 13 MET HB2 H 1 1.887 0.020 . 2 . . . . 13 MET HB2 . 16712 1 123 . 1 1 13 13 MET HB3 H 1 1.982 0.020 . 2 . . . . 13 MET HB3 . 16712 1 124 . 1 1 13 13 MET HE1 H 1 2.052 0.020 . 1 . . . . 13 MET HE . 16712 1 125 . 1 1 13 13 MET HE2 H 1 2.052 0.020 . 1 . . . . 13 MET HE . 16712 1 126 . 1 1 13 13 MET HE3 H 1 2.052 0.020 . 1 . . . . 13 MET HE . 16712 1 127 . 1 1 13 13 MET HG2 H 1 2.469 0.020 . 2 . . . . 13 MET HG2 . 16712 1 128 . 1 1 13 13 MET HG3 H 1 2.260 0.020 . 2 . . . . 13 MET HG3 . 16712 1 129 . 1 1 13 13 MET C C 13 175.736 0.3 . 1 . . . . 13 MET C . 16712 1 130 . 1 1 13 13 MET CA C 13 55.055 0.3 . 1 . . . . 13 MET CA . 16712 1 131 . 1 1 13 13 MET CB C 13 26.769 0.3 . 1 . . . . 13 MET CB . 16712 1 132 . 1 1 13 13 MET CE C 13 21.311 0.3 . 1 . . . . 13 MET CE . 16712 1 133 . 1 1 13 13 MET CG C 13 33.464 0.3 . 1 . . . . 13 MET CG . 16712 1 134 . 1 1 13 13 MET N N 15 119.432 0.3 . 1 . . . . 13 MET N . 16712 1 135 . 1 1 14 14 ALA H H 1 8.319 0.020 . 1 . . . . 14 ALA H . 16712 1 136 . 1 1 14 14 ALA HA H 1 3.944 0.020 . 1 . . . . 14 ALA HA . 16712 1 137 . 1 1 14 14 ALA HB1 H 1 1.162 0.020 . 1 . . . . 14 ALA HB . 16712 1 138 . 1 1 14 14 ALA HB2 H 1 1.162 0.020 . 1 . . . . 14 ALA HB . 16712 1 139 . 1 1 14 14 ALA HB3 H 1 1.162 0.020 . 1 . . . . 14 ALA HB . 16712 1 140 . 1 1 14 14 ALA C C 13 177.431 0.3 . 1 . . . . 14 ALA C . 16712 1 141 . 1 1 14 14 ALA CA C 13 52.153 0.3 . 1 . . . . 14 ALA CA . 16712 1 142 . 1 1 14 14 ALA CB C 13 14.450 0.3 . 1 . . . . 14 ALA CB . 16712 1 143 . 1 1 14 14 ALA N N 15 120.605 0.3 . 1 . . . . 14 ALA N . 16712 1 144 . 1 1 15 15 HIS H H 1 7.524 0.020 . 1 . . . . 15 HIS H . 16712 1 145 . 1 1 15 15 HIS HA H 1 3.977 0.020 . 1 . . . . 15 HIS HA . 16712 1 146 . 1 1 15 15 HIS HB2 H 1 2.978 0.020 . 2 . . . . 15 HIS HB2 . 16712 1 147 . 1 1 15 15 HIS HB3 H 1 2.624 0.020 . 2 . . . . 15 HIS HB3 . 16712 1 148 . 1 1 15 15 HIS HD2 H 1 6.422 0.020 . 1 . . . . 15 HIS HD2 . 16712 1 149 . 1 1 15 15 HIS HE1 H 1 7.686 0.020 . 1 . . . . 15 HIS HE1 . 16712 1 150 . 1 1 15 15 HIS C C 13 175.753 0.3 . 1 . . . . 15 HIS C . 16712 1 151 . 1 1 15 15 HIS CA C 13 56.374 0.3 . 1 . . . . 15 HIS CA . 16712 1 152 . 1 1 15 15 HIS CB C 13 27.297 0.3 . 1 . . . . 15 HIS CB . 16712 1 153 . 1 1 15 15 HIS CD2 C 13 117.811 0.3 . 1 . . . . 15 HIS CD2 . 16712 1 154 . 1 1 15 15 HIS CE1 C 13 136.128 0.3 . 1 . . . . 15 HIS CE1 . 16712 1 155 . 1 1 15 15 HIS N N 15 117.838 0.3 . 1 . . . . 15 HIS N . 16712 1 156 . 1 1 16 16 PHE H H 1 8.030 0.020 . 1 . . . . 16 PHE H . 16712 1 157 . 1 1 16 16 PHE HA H 1 4.292 0.020 . 1 . . . . 16 PHE HA . 16712 1 158 . 1 1 16 16 PHE HB2 H 1 3.232 0.020 . 2 . . . . 16 PHE HB2 . 16712 1 159 . 1 1 16 16 PHE HB3 H 1 2.994 0.020 . 2 . . . . 16 PHE HB3 . 16712 1 160 . 1 1 16 16 PHE HD1 H 1 7.092 0.020 . 1 . . . . 16 PHE HD1 . 16712 1 161 . 1 1 16 16 PHE HD2 H 1 7.092 0.020 . 1 . . . . 16 PHE HD2 . 16712 1 162 . 1 1 16 16 PHE HE1 H 1 6.761 0.020 . 1 . . . . 16 PHE HE1 . 16712 1 163 . 1 1 16 16 PHE HE2 H 1 6.761 0.020 . 1 . . . . 16 PHE HE2 . 16712 1 164 . 1 1 16 16 PHE HZ H 1 6.552 0.020 . 1 . . . . 16 PHE HZ . 16712 1 165 . 1 1 16 16 PHE C C 13 174.318 0.3 . 1 . . . . 16 PHE C . 16712 1 166 . 1 1 16 16 PHE CA C 13 53.956 0.3 . 1 . . . . 16 PHE CA . 16712 1 167 . 1 1 16 16 PHE CB C 13 33.720 0.3 . 1 . . . . 16 PHE CB . 16712 1 168 . 1 1 16 16 PHE CD1 C 13 125.696 0.3 . 1 . . . . 16 PHE CD1 . 16712 1 169 . 1 1 16 16 PHE CE1 C 13 128.493 0.3 . 1 . . . . 16 PHE CE1 . 16712 1 170 . 1 1 16 16 PHE CZ C 13 125.450 0.3 . 1 . . . . 16 PHE CZ . 16712 1 171 . 1 1 16 16 PHE N N 15 117.250 0.3 . 1 . . . . 16 PHE N . 16712 1 172 . 1 1 17 17 GLU H H 1 7.796 0.020 . 1 . . . . 17 GLU H . 16712 1 173 . 1 1 17 17 GLU HA H 1 4.384 0.020 . 1 . . . . 17 GLU HA . 16712 1 174 . 1 1 17 17 GLU HB2 H 1 1.982 0.020 . 2 . . . . 17 GLU HB2 . 16712 1 175 . 1 1 17 17 GLU HB3 H 1 1.893 0.020 . 2 . . . . 17 GLU HB3 . 16712 1 176 . 1 1 17 17 GLU HG2 H 1 2.472 0.020 . 2 . . . . 17 GLU HG2 . 16712 1 177 . 1 1 17 17 GLU HG3 H 1 2.261 0.020 . 2 . . . . 17 GLU HG3 . 16712 1 178 . 1 1 17 17 GLU C C 13 174.352 0.3 . 1 . . . . 17 GLU C . 16712 1 179 . 1 1 17 17 GLU CA C 13 55.363 0.3 . 1 . . . . 17 GLU CA . 16712 1 180 . 1 1 17 17 GLU CB C 13 26.417 0.3 . 1 . . . . 17 GLU CB . 16712 1 181 . 1 1 17 17 GLU CD C 13 180.395 0.3 . 1 . . . . 17 GLU CD . 16712 1 182 . 1 1 17 17 GLU CG C 13 33.403 0.3 . 1 . . . . 17 GLU CG . 16712 1 183 . 1 1 17 17 GLU N N 15 116.111 0.3 . 1 . . . . 17 GLU N . 16712 1 184 . 1 1 18 18 GLY H H 1 7.168 0.020 . 1 . . . . 18 GLY H . 16712 1 185 . 1 1 18 18 GLY HA2 H 1 4.062 0.020 . 2 . . . . 18 GLY HA2 . 16712 1 186 . 1 1 18 18 GLY HA3 H 1 3.556 0.020 . 2 . . . . 18 GLY HA3 . 16712 1 187 . 1 1 18 18 GLY C C 13 171.294 0.3 . 1 . . . . 18 GLY C . 16712 1 188 . 1 1 18 18 GLY CA C 13 41.908 0.3 . 1 . . . . 18 GLY CA . 16712 1 189 . 1 1 18 18 GLY N N 15 103.492 0.3 . 1 . . . . 18 GLY N . 16712 1 190 . 1 1 19 19 LEU H H 1 7.411 0.020 . 1 . . . . 19 LEU H . 16712 1 191 . 1 1 19 19 LEU HA H 1 4.338 0.020 . 1 . . . . 19 LEU HA . 16712 1 192 . 1 1 19 19 LEU HB2 H 1 1.860 0.020 . 2 . . . . 19 LEU HB2 . 16712 1 193 . 1 1 19 19 LEU HB3 H 1 0.946 0.020 . 2 . . . . 19 LEU HB3 . 16712 1 194 . 1 1 19 19 LEU HD11 H 1 1.594 0.020 . 1 . . . . 19 LEU HD1 . 16712 1 195 . 1 1 19 19 LEU HD12 H 1 1.594 0.020 . 1 . . . . 19 LEU HD1 . 16712 1 196 . 1 1 19 19 LEU HD13 H 1 1.594 0.020 . 1 . . . . 19 LEU HD1 . 16712 1 197 . 1 1 19 19 LEU HD21 H 1 0.477 0.020 . 1 . . . . 19 LEU HD2 . 16712 1 198 . 1 1 19 19 LEU HD22 H 1 0.477 0.020 . 1 . . . . 19 LEU HD2 . 16712 1 199 . 1 1 19 19 LEU HD23 H 1 0.477 0.020 . 1 . . . . 19 LEU HD2 . 16712 1 200 . 1 1 19 19 LEU HG H 1 0.643 0.020 . 1 . . . . 19 LEU HG . 16712 1 201 . 1 1 19 19 LEU C C 13 172.582 0.3 . 1 . . . . 19 LEU C . 16712 1 202 . 1 1 19 19 LEU CA C 13 50.768 0.3 . 1 . . . . 19 LEU CA . 16712 1 203 . 1 1 19 19 LEU CB C 13 38.560 0.3 . 1 . . . . 19 LEU CB . 16712 1 204 . 1 1 19 19 LEU CD1 C 13 22.246 0.3 . 1 . . . . 19 LEU CD1 . 16712 1 205 . 1 1 19 19 LEU CD2 C 13 18.981 0.3 . 1 . . . . 19 LEU CD2 . 16712 1 206 . 1 1 19 19 LEU CG C 13 22.889 0.3 . 1 . . . . 19 LEU CG . 16712 1 207 . 1 1 19 19 LEU N N 15 120.893 0.3 . 1 . . . . 19 LEU N . 16712 1 208 . 1 1 20 20 SER H H 1 8.372 0.020 . 1 . . . . 20 SER H . 16712 1 209 . 1 1 20 20 SER HA H 1 4.128 0.020 . 1 . . . . 20 SER HA . 16712 1 210 . 1 1 20 20 SER HB2 H 1 3.829 0.020 . 2 . . . . 20 SER HB2 . 16712 1 211 . 1 1 20 20 SER HB3 H 1 3.787 0.020 . 2 . . . . 20 SER HB3 . 16712 1 212 . 1 1 20 20 SER C C 13 173.241 0.3 . 1 . . . . 20 SER C . 16712 1 213 . 1 1 20 20 SER CA C 13 58.089 0.3 . 1 . . . . 20 SER CA . 16712 1 214 . 1 1 20 20 SER CB C 13 60.734 0.3 . 1 . . . . 20 SER CB . 16712 1 215 . 1 1 20 20 SER N N 15 118.037 0.3 . 1 . . . . 20 SER N . 16712 1 216 . 1 1 21 21 ASP H H 1 7.820 0.020 . 1 . . . . 21 ASP H . 16712 1 217 . 1 1 21 21 ASP HA H 1 5.056 0.020 . 1 . . . . 21 ASP HA . 16712 1 218 . 1 1 21 21 ASP HB2 H 1 2.892 0.020 . 2 . . . . 21 ASP HB2 . 16712 1 219 . 1 1 21 21 ASP HB3 H 1 2.467 0.020 . 2 . . . . 21 ASP HB3 . 16712 1 220 . 1 1 21 21 ASP C C 13 171.393 0.3 . 1 . . . . 21 ASP C . 16712 1 221 . 1 1 21 21 ASP CA C 13 51.780 0.3 . 1 . . . . 21 ASP CA . 16712 1 222 . 1 1 21 21 ASP CB C 13 38.120 0.3 . 1 . . . . 21 ASP CB . 16712 1 223 . 1 1 21 21 ASP CG C 13 176.236 0.3 . 1 . . . . 21 ASP CG . 16712 1 224 . 1 1 21 21 ASP N N 15 122.022 0.3 . 1 . . . . 21 ASP N . 16712 1 225 . 1 1 22 22 ALA H H 1 8.865 0.020 . 1 . . . . 22 ALA H . 16712 1 226 . 1 1 22 22 ALA HA H 1 5.497 0.020 . 1 . . . . 22 ALA HA . 16712 1 227 . 1 1 22 22 ALA HB1 H 1 1.237 0.020 . 1 . . . . 22 ALA HB . 16712 1 228 . 1 1 22 22 ALA HB2 H 1 1.237 0.020 . 1 . . . . 22 ALA HB . 16712 1 229 . 1 1 22 22 ALA HB3 H 1 1.237 0.020 . 1 . . . . 22 ALA HB . 16712 1 230 . 1 1 22 22 ALA C C 13 173.809 0.3 . 1 . . . . 22 ALA C . 16712 1 231 . 1 1 22 22 ALA CA C 13 48.020 0.3 . 1 . . . . 22 ALA CA . 16712 1 232 . 1 1 22 22 ALA CB C 13 22.811 0.3 . 1 . . . . 22 ALA CB . 16712 1 233 . 1 1 22 22 ALA N N 15 127.136 0.3 . 1 . . . . 22 ALA N . 16712 1 234 . 1 1 23 23 ILE H H 1 8.406 0.020 . 1 . . . . 23 ILE H . 16712 1 235 . 1 1 23 23 ILE HA H 1 4.214 0.020 . 1 . . . . 23 ILE HA . 16712 1 236 . 1 1 23 23 ILE HB H 1 1.153 0.020 . 1 . . . . 23 ILE HB . 16712 1 237 . 1 1 23 23 ILE HD11 H 1 0.255 0.020 . 1 . . . . 23 ILE HD1 . 16712 1 238 . 1 1 23 23 ILE HD12 H 1 0.255 0.020 . 1 . . . . 23 ILE HD1 . 16712 1 239 . 1 1 23 23 ILE HD13 H 1 0.255 0.020 . 1 . . . . 23 ILE HD1 . 16712 1 240 . 1 1 23 23 ILE HG12 H 1 1.272 0.020 . 2 . . . . 23 ILE HG12 . 16712 1 241 . 1 1 23 23 ILE HG13 H 1 0.167 0.020 . 2 . . . . 23 ILE HG13 . 16712 1 242 . 1 1 23 23 ILE HG21 H 1 0.015 0.020 . 1 . . . . 23 ILE HG2 . 16712 1 243 . 1 1 23 23 ILE HG22 H 1 0.015 0.020 . 1 . . . . 23 ILE HG2 . 16712 1 244 . 1 1 23 23 ILE HG23 H 1 0.015 0.020 . 1 . . . . 23 ILE HG2 . 16712 1 245 . 1 1 23 23 ILE C C 13 170.680 0.3 . 1 . . . . 23 ILE C . 16712 1 246 . 1 1 23 23 ILE CA C 13 58.133 0.3 . 1 . . . . 23 ILE CA . 16712 1 247 . 1 1 23 23 ILE CB C 13 38.824 0.3 . 1 . . . . 23 ILE CB . 16712 1 248 . 1 1 23 23 ILE CD1 C 13 12.003 0.3 . 1 . . . . 23 ILE CD1 . 16712 1 249 . 1 1 23 23 ILE CG1 C 13 23.841 0.3 . 1 . . . . 23 ILE CG1 . 16712 1 250 . 1 1 23 23 ILE CG2 C 13 14.735 0.3 . 1 . . . . 23 ILE CG2 . 16712 1 251 . 1 1 23 23 ILE N N 15 121.225 0.3 . 1 . . . . 23 ILE N . 16712 1 252 . 1 1 24 24 VAL H H 1 9.110 0.020 . 1 . . . . 24 VAL H . 16712 1 253 . 1 1 24 24 VAL HA H 1 4.307 0.020 . 1 . . . . 24 VAL HA . 16712 1 254 . 1 1 24 24 VAL HB H 1 1.648 0.020 . 1 . . . . 24 VAL HB . 16712 1 255 . 1 1 24 24 VAL HG11 H 1 0.386 0.020 . 1 . . . . 24 VAL HG1 . 16712 1 256 . 1 1 24 24 VAL HG12 H 1 0.386 0.020 . 1 . . . . 24 VAL HG1 . 16712 1 257 . 1 1 24 24 VAL HG13 H 1 0.386 0.020 . 1 . . . . 24 VAL HG1 . 16712 1 258 . 1 1 24 24 VAL HG21 H 1 0.365 0.020 . 1 . . . . 24 VAL HG2 . 16712 1 259 . 1 1 24 24 VAL HG22 H 1 0.365 0.020 . 1 . . . . 24 VAL HG2 . 16712 1 260 . 1 1 24 24 VAL HG23 H 1 0.365 0.020 . 1 . . . . 24 VAL HG2 . 16712 1 261 . 1 1 24 24 VAL C C 13 172.008 0.3 . 1 . . . . 24 VAL C . 16712 1 262 . 1 1 24 24 VAL CA C 13 57.935 0.3 . 1 . . . . 24 VAL CA . 16712 1 263 . 1 1 24 24 VAL CB C 13 29.849 0.3 . 1 . . . . 24 VAL CB . 16712 1 264 . 1 1 24 24 VAL CG1 C 13 20.323 0.3 . 1 . . . . 24 VAL CG1 . 16712 1 265 . 1 1 24 24 VAL CG2 C 13 16.509 0.3 . 1 . . . . 24 VAL CG2 . 16712 1 266 . 1 1 24 24 VAL N N 15 126.272 0.3 . 1 . . . . 24 VAL N . 16712 1 267 . 1 1 25 25 PHE H H 1 9.452 0.020 . 1 . . . . 25 PHE H . 16712 1 268 . 1 1 25 25 PHE HA H 1 5.208 0.020 . 1 . . . . 25 PHE HA . 16712 1 269 . 1 1 25 25 PHE HB2 H 1 2.761 0.020 . 2 . . . . 25 PHE HB2 . 16712 1 270 . 1 1 25 25 PHE HB3 H 1 2.512 0.020 . 2 . . . . 25 PHE HB3 . 16712 1 271 . 1 1 25 25 PHE HD1 H 1 6.727 0.020 . 1 . . . . 25 PHE HD1 . 16712 1 272 . 1 1 25 25 PHE HD2 H 1 6.727 0.020 . 1 . . . . 25 PHE HD2 . 16712 1 273 . 1 1 25 25 PHE HE1 H 1 6.880 0.020 . 1 . . . . 25 PHE HE1 . 16712 1 274 . 1 1 25 25 PHE HE2 H 1 6.880 0.020 . 1 . . . . 25 PHE HE2 . 16712 1 275 . 1 1 25 25 PHE HZ H 1 7.387 0.020 . 1 . . . . 25 PHE HZ . 16712 1 276 . 1 1 25 25 PHE C C 13 170.844 0.3 . 1 . . . . 25 PHE C . 16712 1 277 . 1 1 25 25 PHE CA C 13 50.966 0.3 . 1 . . . . 25 PHE CA . 16712 1 278 . 1 1 25 25 PHE CB C 13 37.592 0.3 . 1 . . . . 25 PHE CB . 16712 1 279 . 1 1 25 25 PHE CD1 C 13 127.914 0.3 . 1 . . . . 25 PHE CD1 . 16712 1 280 . 1 1 25 25 PHE CE1 C 13 125.760 0.3 . 1 . . . . 25 PHE CE1 . 16712 1 281 . 1 1 25 25 PHE CZ C 13 126.600 0.3 . 1 . . . . 25 PHE CZ . 16712 1 282 . 1 1 25 25 PHE N N 15 129.992 0.3 . 1 . . . . 25 PHE N . 16712 1 283 . 1 1 26 26 PHE H H 1 9.499 0.020 . 1 . . . . 26 PHE H . 16712 1 284 . 1 1 26 26 PHE HA H 1 4.992 0.020 . 1 . . . . 26 PHE HA . 16712 1 285 . 1 1 26 26 PHE HB2 H 1 2.878 0.020 . 2 . . . . 26 PHE HB2 . 16712 1 286 . 1 1 26 26 PHE HB3 H 1 2.593 0.020 . 2 . . . . 26 PHE HB3 . 16712 1 287 . 1 1 26 26 PHE HD1 H 1 6.935 0.020 . 1 . . . . 26 PHE HD1 . 16712 1 288 . 1 1 26 26 PHE HD2 H 1 6.935 0.020 . 1 . . . . 26 PHE HD2 . 16712 1 289 . 1 1 26 26 PHE HE1 H 1 6.843 0.020 . 1 . . . . 26 PHE HE1 . 16712 1 290 . 1 1 26 26 PHE HE2 H 1 6.843 0.020 . 1 . . . . 26 PHE HE2 . 16712 1 291 . 1 1 26 26 PHE C C 13 171.030 0.3 . 1 . . . . 26 PHE C . 16712 1 292 . 1 1 26 26 PHE CA C 13 54.264 0.3 . 1 . . . . 26 PHE CA . 16712 1 293 . 1 1 26 26 PHE CB C 13 37.563 0.3 . 1 . . . . 26 PHE CB . 16712 1 294 . 1 1 26 26 PHE CD1 C 13 127.996 0.3 . 1 . . . . 26 PHE CD1 . 16712 1 295 . 1 1 26 26 PHE CE1 C 13 128.900 0.3 . 1 . . . . 26 PHE CE1 . 16712 1 296 . 1 1 26 26 PHE N N 15 128.796 0.3 . 1 . . . . 26 PHE N . 16712 1 297 . 1 1 27 27 HIS H H 1 8.084 0.020 . 1 . . . . 27 HIS H . 16712 1 298 . 1 1 27 27 HIS HA H 1 4.532 0.020 . 1 . . . . 27 HIS HA . 16712 1 299 . 1 1 27 27 HIS HB2 H 1 2.515 0.020 . 1 . . . . 27 HIS HB2 . 16712 1 300 . 1 1 27 27 HIS HB3 H 1 2.515 0.020 . 1 . . . . 27 HIS HB3 . 16712 1 301 . 1 1 27 27 HIS HD2 H 1 6.537 0.020 . 1 . . . . 27 HIS HD2 . 16712 1 302 . 1 1 27 27 HIS C C 13 167.670 0.3 . 1 . . . . 27 HIS C . 16712 1 303 . 1 1 27 27 HIS CA C 13 49.647 0.3 . 1 . . . . 27 HIS CA . 16712 1 304 . 1 1 27 27 HIS CB C 13 30.201 0.3 . 1 . . . . 27 HIS CB . 16712 1 305 . 1 1 27 27 HIS CD2 C 13 116.579 0.3 . 1 . . . . 27 HIS CD2 . 16712 1 306 . 1 1 27 27 HIS N N 15 116.443 0.3 . 1 . . . . 27 HIS N . 16712 1 307 . 1 1 28 28 LYS H H 1 7.135 0.020 . 1 . . . . 28 LYS H . 16712 1 308 . 1 1 28 28 LYS HA H 1 4.460 0.020 . 1 . . . . 28 LYS HA . 16712 1 309 . 1 1 28 28 LYS HB2 H 1 1.857 0.020 . 2 . . . . 28 LYS HB2 . 16712 1 310 . 1 1 28 28 LYS HB3 H 1 1.769 0.020 . 2 . . . . 28 LYS HB3 . 16712 1 311 . 1 1 28 28 LYS HD2 H 1 1.398 0.020 . 1 . . . . 28 LYS HD2 . 16712 1 312 . 1 1 28 28 LYS HD3 H 1 1.398 0.020 . 1 . . . . 28 LYS HD3 . 16712 1 313 . 1 1 28 28 LYS HE2 H 1 2.770 0.020 . 1 . . . . 28 LYS HE2 . 16712 1 314 . 1 1 28 28 LYS HE3 H 1 2.770 0.020 . 1 . . . . 28 LYS HE3 . 16712 1 315 . 1 1 28 28 LYS HG2 H 1 1.093 0.020 . 2 . . . . 28 LYS HG2 . 16712 1 316 . 1 1 28 28 LYS HG3 H 1 0.957 0.020 . 2 . . . . 28 LYS HG3 . 16712 1 317 . 1 1 28 28 LYS C C 13 172.412 0.3 . 1 . . . . 28 LYS C . 16712 1 318 . 1 1 28 28 LYS CA C 13 52.023 0.3 . 1 . . . . 28 LYS CA . 16712 1 319 . 1 1 28 28 LYS CB C 13 31.972 0.3 . 1 . . . . 28 LYS CB . 16712 1 320 . 1 1 28 28 LYS CD C 13 26.487 0.3 . 1 . . . . 28 LYS CD . 16712 1 321 . 1 1 28 28 LYS CE C 13 38.877 0.3 . 1 . . . . 28 LYS CE . 16712 1 322 . 1 1 28 28 LYS CG C 13 20.566 0.3 . 1 . . . . 28 LYS CG . 16712 1 323 . 1 1 28 28 LYS N N 15 114.849 0.3 . 1 . . . . 28 LYS N . 16712 1 324 . 1 1 29 29 ASN H H 1 8.993 0.020 . 1 . . . . 29 ASN H . 16712 1 325 . 1 1 29 29 ASN HA H 1 4.244 0.020 . 1 . . . . 29 ASN HA . 16712 1 326 . 1 1 29 29 ASN HB2 H 1 2.644 0.020 . 2 . . . . 29 ASN HB2 . 16712 1 327 . 1 1 29 29 ASN HB3 H 1 2.544 0.020 . 2 . . . . 29 ASN HB3 . 16712 1 328 . 1 1 29 29 ASN HD21 H 1 7.591 0.020 . 1 . . . . 29 ASN HD21 . 16712 1 329 . 1 1 29 29 ASN HD22 H 1 6.854 0.020 . 1 . . . . 29 ASN HD22 . 16712 1 330 . 1 1 29 29 ASN C C 13 172.509 0.3 . 1 . . . . 29 ASN C . 16712 1 331 . 1 1 29 29 ASN CA C 13 52.373 0.3 . 1 . . . . 29 ASN CA . 16712 1 332 . 1 1 29 29 ASN CB C 13 35.920 0.3 . 1 . . . . 29 ASN CB . 16712 1 333 . 1 1 29 29 ASN CG C 13 173.242 0.3 . 1 . . . . 29 ASN CG . 16712 1 334 . 1 1 29 29 ASN N N 15 119.287 0.3 . 1 . . . . 29 ASN N . 16712 1 335 . 1 1 29 29 ASN ND2 N 15 113.966 0.3 . 1 . . . . 29 ASN ND2 . 16712 1 336 . 1 1 30 30 LEU H H 1 8.372 0.020 . 1 . . . . 30 LEU H . 16712 1 337 . 1 1 30 30 LEU HA H 1 4.076 0.020 . 1 . . . . 30 LEU HA . 16712 1 338 . 1 1 30 30 LEU HB2 H 1 1.574 0.020 . 2 . . . . 30 LEU HB2 . 16712 1 339 . 1 1 30 30 LEU HB3 H 1 1.398 0.020 . 2 . . . . 30 LEU HB3 . 16712 1 340 . 1 1 30 30 LEU HD11 H 1 0.719 0.020 . 1 . . . . 30 LEU HD1 . 16712 1 341 . 1 1 30 30 LEU HD12 H 1 0.719 0.020 . 1 . . . . 30 LEU HD1 . 16712 1 342 . 1 1 30 30 LEU HD13 H 1 0.719 0.020 . 1 . . . . 30 LEU HD1 . 16712 1 343 . 1 1 30 30 LEU HD21 H 1 0.666 0.020 . 1 . . . . 30 LEU HD2 . 16712 1 344 . 1 1 30 30 LEU HD22 H 1 0.666 0.020 . 1 . . . . 30 LEU HD2 . 16712 1 345 . 1 1 30 30 LEU HD23 H 1 0.666 0.020 . 1 . . . . 30 LEU HD2 . 16712 1 346 . 1 1 30 30 LEU HG H 1 1.316 0.020 . 1 . . . . 30 LEU HG . 16712 1 347 . 1 1 30 30 LEU C C 13 172.646 0.3 . 1 . . . . 30 LEU C . 16712 1 348 . 1 1 30 30 LEU CA C 13 51.582 0.3 . 1 . . . . 30 LEU CA . 16712 1 349 . 1 1 30 30 LEU CB C 13 35.789 0.3 . 1 . . . . 30 LEU CB . 16712 1 350 . 1 1 30 30 LEU CD1 C 13 21.792 0.3 . 1 . . . . 30 LEU CD1 . 16712 1 351 . 1 1 30 30 LEU CD2 C 13 20.313 0.3 . 1 . . . . 30 LEU CD2 . 16712 1 352 . 1 1 30 30 LEU CG C 13 24.069 0.3 . 1 . . . . 30 LEU CG . 16712 1 353 . 1 1 30 30 LEU N N 15 119.033 0.3 . 1 . . . . 30 LEU N . 16712 1 354 . 1 1 31 31 CYS H H 1 8.242 0.020 . 1 . . . . 31 CYS H . 16712 1 355 . 1 1 31 31 CYS HA H 1 4.726 0.020 . 1 . . . . 31 CYS HA . 16712 1 356 . 1 1 31 31 CYS HB2 H 1 3.247 0.020 . 2 . . . . 31 CYS HB2 . 16712 1 357 . 1 1 31 31 CYS HB3 H 1 3.144 0.020 . 2 . . . . 31 CYS HB3 . 16712 1 358 . 1 1 31 31 CYS C C 13 172.588 0.3 . 1 . . . . 31 CYS C . 16712 1 359 . 1 1 31 31 CYS CA C 13 48.500 0.3 . 1 . . . . 31 CYS CA . 16712 1 360 . 1 1 31 31 CYS CB C 13 38.824 0.3 . 1 . . . . 31 CYS CB . 16712 1 361 . 1 1 31 31 CYS N N 15 118.768 0.3 . 1 . . . . 31 CYS N . 16712 1 362 . 1 1 32 32 PRO HA H 1 4.209 0.020 . 1 . . . . 32 PRO HA . 16712 1 363 . 1 1 32 32 PRO HB2 H 1 2.228 0.020 . 2 . . . . 32 PRO HB2 . 16712 1 364 . 1 1 32 32 PRO HB3 H 1 1.628 0.020 . 2 . . . . 32 PRO HB3 . 16712 1 365 . 1 1 32 32 PRO HD2 H 1 3.707 0.020 . 2 . . . . 32 PRO HD2 . 16712 1 366 . 1 1 32 32 PRO HD3 H 1 3.391 0.020 . 2 . . . . 32 PRO HD3 . 16712 1 367 . 1 1 32 32 PRO HG2 H 1 1.881 0.020 . 2 . . . . 32 PRO HG2 . 16712 1 368 . 1 1 32 32 PRO HG3 H 1 1.824 0.020 . 2 . . . . 32 PRO HG3 . 16712 1 369 . 1 1 32 32 PRO C C 13 176.993 0.3 . 1 . . . . 32 PRO C . 16712 1 370 . 1 1 32 32 PRO CA C 13 63.070 0.3 . 1 . . . . 32 PRO CA . 16712 1 371 . 1 1 32 32 PRO CB C 13 29.233 0.3 . 1 . . . . 32 PRO CB . 16712 1 372 . 1 1 32 32 PRO CD C 13 47.268 0.3 . 1 . . . . 32 PRO CD . 16712 1 373 . 1 1 32 32 PRO CG C 13 24.396 0.3 . 1 . . . . 32 PRO CG . 16712 1 374 . 1 1 33 33 HIS H H 1 9.281 0.020 . 1 . . . . 33 HIS H . 16712 1 375 . 1 1 33 33 HIS HA H 1 4.254 0.020 . 1 . . . . 33 HIS HA . 16712 1 376 . 1 1 33 33 HIS HB2 H 1 3.043 0.020 . 2 . . . . 33 HIS HB2 . 16712 1 377 . 1 1 33 33 HIS HB3 H 1 2.920 0.020 . 2 . . . . 33 HIS HB3 . 16712 1 378 . 1 1 33 33 HIS HD2 H 1 7.018 0.020 . 1 . . . . 33 HIS HD2 . 16712 1 379 . 1 1 33 33 HIS HE1 H 1 8.003 0.020 . 1 . . . . 33 HIS HE1 . 16712 1 380 . 1 1 33 33 HIS C C 13 175.052 0.3 . 1 . . . . 33 HIS C . 16712 1 381 . 1 1 33 33 HIS CA C 13 54.308 0.3 . 1 . . . . 33 HIS CA . 16712 1 382 . 1 1 33 33 HIS CB C 13 26.329 0.3 . 1 . . . . 33 HIS CB . 16712 1 383 . 1 1 33 33 HIS CD2 C 13 116.744 0.3 . 1 . . . . 33 HIS CD2 . 16712 1 384 . 1 1 33 33 HIS CE1 C 13 134.132 0.3 . 1 . . . . 33 HIS CE1 . 16712 1 385 . 1 1 33 33 HIS N N 15 114.583 0.3 . 1 . . . . 33 HIS N . 16712 1 386 . 1 1 34 34 CYS H H 1 8.594 0.020 . 1 . . . . 34 CYS H . 16712 1 387 . 1 1 34 34 CYS HA H 1 4.428 0.020 . 1 . . . . 34 CYS HA . 16712 1 388 . 1 1 34 34 CYS HB2 H 1 4.295 0.020 . 2 . . . . 34 CYS HB2 . 16712 1 389 . 1 1 34 34 CYS HB3 H 1 3.200 0.020 . 2 . . . . 34 CYS HB3 . 16712 1 390 . 1 1 34 34 CYS C C 13 172.536 0.3 . 1 . . . . 34 CYS C . 16712 1 391 . 1 1 34 34 CYS CA C 13 62.222 0.3 . 1 . . . . 34 CYS CA . 16712 1 392 . 1 1 34 34 CYS CB C 13 30.465 0.3 . 1 . . . . 34 CYS CB . 16712 1 393 . 1 1 34 34 CYS N N 15 117.639 0.3 . 1 . . . . 34 CYS N . 16712 1 394 . 1 1 35 35 LYS H H 1 7.917 0.020 . 1 . . . . 35 LYS H . 16712 1 395 . 1 1 35 35 LYS HA H 1 4.034 0.020 . 1 . . . . 35 LYS HA . 16712 1 396 . 1 1 35 35 LYS HB2 H 1 1.914 0.020 . 2 . . . . 35 LYS HB2 . 16712 1 397 . 1 1 35 35 LYS HB3 H 1 1.814 0.020 . 2 . . . . 35 LYS HB3 . 16712 1 398 . 1 1 35 35 LYS HD2 H 1 1.601 0.020 . 1 . . . . 35 LYS HD2 . 16712 1 399 . 1 1 35 35 LYS HD3 H 1 1.601 0.020 . 1 . . . . 35 LYS HD3 . 16712 1 400 . 1 1 35 35 LYS HE2 H 1 2.741 0.020 . 1 . . . . 35 LYS HE2 . 16712 1 401 . 1 1 35 35 LYS HE3 H 1 2.741 0.020 . 1 . . . . 35 LYS HE3 . 16712 1 402 . 1 1 35 35 LYS HG2 H 1 1.455 0.020 . 1 . . . . 35 LYS HG2 . 16712 1 403 . 1 1 35 35 LYS HG3 H 1 1.455 0.020 . 1 . . . . 35 LYS HG3 . 16712 1 404 . 1 1 35 35 LYS C C 13 176.495 0.3 . 1 . . . . 35 LYS C . 16712 1 405 . 1 1 35 35 LYS CA C 13 55.935 0.3 . 1 . . . . 35 LYS CA . 16712 1 406 . 1 1 35 35 LYS CB C 13 27.913 0.3 . 1 . . . . 35 LYS CB . 16712 1 407 . 1 1 35 35 LYS CD C 13 25.117 0.3 . 1 . . . . 35 LYS CD . 16712 1 408 . 1 1 35 35 LYS CE C 13 39.094 0.3 . 1 . . . . 35 LYS CE . 16712 1 409 . 1 1 35 35 LYS CG C 13 21.565 0.3 . 1 . . . . 35 LYS CG . 16712 1 410 . 1 1 35 35 LYS N N 15 120.028 0.3 . 1 . . . . 35 LYS N . 16712 1 411 . 1 1 36 36 ASN H H 1 7.742 0.020 . 1 . . . . 36 ASN H . 16712 1 412 . 1 1 36 36 ASN HA H 1 4.339 0.020 . 1 . . . . 36 ASN HA . 16712 1 413 . 1 1 36 36 ASN HB2 H 1 2.842 0.020 . 2 . . . . 36 ASN HB2 . 16712 1 414 . 1 1 36 36 ASN HB3 H 1 2.783 0.020 . 2 . . . . 36 ASN HB3 . 16712 1 415 . 1 1 36 36 ASN HD21 H 1 7.544 0.020 . 1 . . . . 36 ASN HD21 . 16712 1 416 . 1 1 36 36 ASN HD22 H 1 6.793 0.020 . 1 . . . . 36 ASN HD22 . 16712 1 417 . 1 1 36 36 ASN C C 13 175.272 0.3 . 1 . . . . 36 ASN C . 16712 1 418 . 1 1 36 36 ASN CA C 13 53.604 0.3 . 1 . . . . 36 ASN CA . 16712 1 419 . 1 1 36 36 ASN CB C 13 35.392 0.3 . 1 . . . . 36 ASN CB . 16712 1 420 . 1 1 36 36 ASN CG C 13 172.735 0.3 . 1 . . . . 36 ASN CG . 16712 1 421 . 1 1 36 36 ASN N N 15 117.373 0.3 . 1 . . . . 36 ASN N . 16712 1 422 . 1 1 36 36 ASN ND2 N 15 111.520 0.3 . 1 . . . . 36 ASN ND2 . 16712 1 423 . 1 1 37 37 MET H H 1 7.685 0.020 . 1 . . . . 37 MET H . 16712 1 424 . 1 1 37 37 MET HA H 1 4.470 0.020 . 1 . . . . 37 MET HA . 16712 1 425 . 1 1 37 37 MET HB2 H 1 2.091 0.020 . 2 . . . . 37 MET HB2 . 16712 1 426 . 1 1 37 37 MET HB3 H 1 1.860 0.020 . 2 . . . . 37 MET HB3 . 16712 1 427 . 1 1 37 37 MET HE1 H 1 1.948 0.020 . 1 . . . . 37 MET HE . 16712 1 428 . 1 1 37 37 MET HE2 H 1 1.948 0.020 . 1 . . . . 37 MET HE . 16712 1 429 . 1 1 37 37 MET HE3 H 1 1.948 0.020 . 1 . . . . 37 MET HE . 16712 1 430 . 1 1 37 37 MET HG2 H 1 2.524 0.020 . 2 . . . . 37 MET HG2 . 16712 1 431 . 1 1 37 37 MET HG3 H 1 2.271 0.020 . 2 . . . . 37 MET HG3 . 16712 1 432 . 1 1 37 37 MET C C 13 174.613 0.3 . 1 . . . . 37 MET C . 16712 1 433 . 1 1 37 37 MET CA C 13 53.250 0.3 . 1 . . . . 37 MET CA . 16712 1 434 . 1 1 37 37 MET CB C 13 28.177 0.3 . 1 . . . . 37 MET CB . 16712 1 435 . 1 1 37 37 MET CE C 13 24.258 0.3 . 1 . . . . 37 MET CE . 16712 1 436 . 1 1 37 37 MET CG C 13 30.170 0.3 . 1 . . . . 37 MET CG . 16712 1 437 . 1 1 37 37 MET N N 15 117.904 0.3 . 1 . . . . 37 MET N . 16712 1 438 . 1 1 38 38 GLU H H 1 8.301 0.020 . 1 . . . . 38 GLU H . 16712 1 439 . 1 1 38 38 GLU HA H 1 3.135 0.020 . 1 . . . . 38 GLU HA . 16712 1 440 . 1 1 38 38 GLU HB2 H 1 2.113 0.020 . 2 . . . . 38 GLU HB2 . 16712 1 441 . 1 1 38 38 GLU HB3 H 1 1.992 0.020 . 2 . . . . 38 GLU HB3 . 16712 1 442 . 1 1 38 38 GLU HG2 H 1 2.234 0.020 . 2 . . . . 38 GLU HG2 . 16712 1 443 . 1 1 38 38 GLU HG3 H 1 2.005 0.020 . 2 . . . . 38 GLU HG3 . 16712 1 444 . 1 1 38 38 GLU C C 13 175.100 0.3 . 1 . . . . 38 GLU C . 16712 1 445 . 1 1 38 38 GLU CA C 13 57.342 0.3 . 1 . . . . 38 GLU CA . 16712 1 446 . 1 1 38 38 GLU CB C 13 26.687 0.3 . 1 . . . . 38 GLU CB . 16712 1 447 . 1 1 38 38 GLU CD C 13 180.386 0.3 . 1 . . . . 38 GLU CD . 16712 1 448 . 1 1 38 38 GLU CG C 13 33.744 0.3 . 1 . . . . 38 GLU CG . 16712 1 449 . 1 1 38 38 GLU N N 15 121.557 0.3 . 1 . . . . 38 GLU N . 16712 1 450 . 1 1 39 39 LYS H H 1 7.091 0.020 . 1 . . . . 39 LYS H . 16712 1 451 . 1 1 39 39 LYS HA H 1 4.010 0.020 . 1 . . . . 39 LYS HA . 16712 1 452 . 1 1 39 39 LYS HB2 H 1 1.881 0.020 . 2 . . . . 39 LYS HB2 . 16712 1 453 . 1 1 39 39 LYS HB3 H 1 1.772 0.020 . 2 . . . . 39 LYS HB3 . 16712 1 454 . 1 1 39 39 LYS HD2 H 1 1.565 0.020 . 2 . . . . 39 LYS HD2 . 16712 1 455 . 1 1 39 39 LYS HD3 H 1 1.447 0.020 . 2 . . . . 39 LYS HD3 . 16712 1 456 . 1 1 39 39 LYS HE2 H 1 2.826 0.020 . 2 . . . . 39 LYS HE2 . 16712 1 457 . 1 1 39 39 LYS HE3 H 1 2.796 0.020 . 2 . . . . 39 LYS HE3 . 16712 1 458 . 1 1 39 39 LYS HG2 H 1 1.518 0.020 . 2 . . . . 39 LYS HG2 . 16712 1 459 . 1 1 39 39 LYS HG3 H 1 1.346 0.020 . 2 . . . . 39 LYS HG3 . 16712 1 460 . 1 1 39 39 LYS C C 13 176.860 0.3 . 1 . . . . 39 LYS C . 16712 1 461 . 1 1 39 39 LYS CA C 13 55.982 0.3 . 1 . . . . 39 LYS CA . 16712 1 462 . 1 1 39 39 LYS CB C 13 29.057 0.3 . 1 . . . . 39 LYS CB . 16712 1 463 . 1 1 39 39 LYS CD C 13 26.118 0.3 . 1 . . . . 39 LYS CD . 16712 1 464 . 1 1 39 39 LYS CE C 13 39.208 0.3 . 1 . . . . 39 LYS CE . 16712 1 465 . 1 1 39 39 LYS CG C 13 22.111 0.3 . 1 . . . . 39 LYS CG . 16712 1 466 . 1 1 39 39 LYS N N 15 116.842 0.3 . 1 . . . . 39 LYS N . 16712 1 467 . 1 1 40 40 VAL H H 1 7.275 0.020 . 1 . . . . 40 VAL H . 16712 1 468 . 1 1 40 40 VAL HA H 1 3.369 0.020 . 1 . . . . 40 VAL HA . 16712 1 469 . 1 1 40 40 VAL HB H 1 2.110 0.020 . 1 . . . . 40 VAL HB . 16712 1 470 . 1 1 40 40 VAL HG11 H 1 1.052 0.020 . 1 . . . . 40 VAL HG1 . 16712 1 471 . 1 1 40 40 VAL HG12 H 1 1.052 0.020 . 1 . . . . 40 VAL HG1 . 16712 1 472 . 1 1 40 40 VAL HG13 H 1 1.052 0.020 . 1 . . . . 40 VAL HG1 . 16712 1 473 . 1 1 40 40 VAL HG21 H 1 0.510 0.020 . 1 . . . . 40 VAL HG2 . 16712 1 474 . 1 1 40 40 VAL HG22 H 1 0.510 0.020 . 1 . . . . 40 VAL HG2 . 16712 1 475 . 1 1 40 40 VAL HG23 H 1 0.510 0.020 . 1 . . . . 40 VAL HG2 . 16712 1 476 . 1 1 40 40 VAL C C 13 175.591 0.3 . 1 . . . . 40 VAL C . 16712 1 477 . 1 1 40 40 VAL CA C 13 64.069 0.3 . 1 . . . . 40 VAL CA . 16712 1 478 . 1 1 40 40 VAL CB C 13 28.736 0.3 . 1 . . . . 40 VAL CB . 16712 1 479 . 1 1 40 40 VAL CG1 C 13 19.857 0.3 . 1 . . . . 40 VAL CG1 . 16712 1 480 . 1 1 40 40 VAL CG2 C 13 17.581 0.3 . 1 . . . . 40 VAL CG2 . 16712 1 481 . 1 1 40 40 VAL N N 15 120.959 0.3 . 1 . . . . 40 VAL N . 16712 1 482 . 1 1 41 41 LEU H H 1 8.207 0.020 . 1 . . . . 41 LEU H . 16712 1 483 . 1 1 41 41 LEU HA H 1 3.645 0.020 . 1 . . . . 41 LEU HA . 16712 1 484 . 1 1 41 41 LEU HB2 H 1 1.504 0.020 . 2 . . . . 41 LEU HB2 . 16712 1 485 . 1 1 41 41 LEU HB3 H 1 1.020 0.020 . 2 . . . . 41 LEU HB3 . 16712 1 486 . 1 1 41 41 LEU HD11 H 1 -0.124 0.020 . 1 . . . . 41 LEU HD1 . 16712 1 487 . 1 1 41 41 LEU HD12 H 1 -0.124 0.020 . 1 . . . . 41 LEU HD1 . 16712 1 488 . 1 1 41 41 LEU HD13 H 1 -0.124 0.020 . 1 . . . . 41 LEU HD1 . 16712 1 489 . 1 1 41 41 LEU HD21 H 1 0.340 0.020 . 1 . . . . 41 LEU HD2 . 16712 1 490 . 1 1 41 41 LEU HD22 H 1 0.340 0.020 . 1 . . . . 41 LEU HD2 . 16712 1 491 . 1 1 41 41 LEU HD23 H 1 0.340 0.020 . 1 . . . . 41 LEU HD2 . 16712 1 492 . 1 1 41 41 LEU HG H 1 1.199 0.020 . 1 . . . . 41 LEU HG . 16712 1 493 . 1 1 41 41 LEU C C 13 176.083 0.3 . 1 . . . . 41 LEU C . 16712 1 494 . 1 1 41 41 LEU CA C 13 55.011 0.3 . 1 . . . . 41 LEU CA . 16712 1 495 . 1 1 41 41 LEU CB C 13 38.824 0.3 . 1 . . . . 41 LEU CB . 16712 1 496 . 1 1 41 41 LEU CD1 C 13 21.792 0.3 . 1 . . . . 41 LEU CD1 . 16712 1 497 . 1 1 41 41 LEU CD2 C 13 19.971 0.3 . 1 . . . . 41 LEU CD2 . 16712 1 498 . 1 1 41 41 LEU CG C 13 23.841 0.3 . 1 . . . . 41 LEU CG . 16712 1 499 . 1 1 41 41 LEU N N 15 119.963 0.3 . 1 . . . . 41 LEU N . 16712 1 500 . 1 1 42 42 ASP H H 1 8.018 0.020 . 1 . . . . 42 ASP H . 16712 1 501 . 1 1 42 42 ASP HA H 1 4.182 0.020 . 1 . . . . 42 ASP HA . 16712 1 502 . 1 1 42 42 ASP HB2 H 1 2.652 0.020 . 2 . . . . 42 ASP HB2 . 16712 1 503 . 1 1 42 42 ASP HB3 H 1 2.546 0.020 . 2 . . . . 42 ASP HB3 . 16712 1 504 . 1 1 42 42 ASP C C 13 176.272 0.3 . 1 . . . . 42 ASP C . 16712 1 505 . 1 1 42 42 ASP CA C 13 54.374 0.3 . 1 . . . . 42 ASP CA . 16712 1 506 . 1 1 42 42 ASP CB C 13 38.208 0.3 . 1 . . . . 42 ASP CB . 16712 1 507 . 1 1 42 42 ASP CG C 13 175.713 0.3 . 1 . . . . 42 ASP CG . 16712 1 508 . 1 1 42 42 ASP N N 15 119.963 0.3 . 1 . . . . 42 ASP N . 16712 1 509 . 1 1 43 43 LYS H H 1 7.427 0.020 . 1 . . . . 43 LYS H . 16712 1 510 . 1 1 43 43 LYS HA H 1 3.866 0.020 . 1 . . . . 43 LYS HA . 16712 1 511 . 1 1 43 43 LYS HB2 H 1 1.772 0.020 . 2 . . . . 43 LYS HB2 . 16712 1 512 . 1 1 43 43 LYS HB3 H 1 1.882 0.020 . 2 . . . . 43 LYS HB3 . 16712 1 513 . 1 1 43 43 LYS HD2 H 1 1.453 0.020 . 2 . . . . 43 LYS HD2 . 16712 1 514 . 1 1 43 43 LYS HD3 H 1 1.565 0.020 . 2 . . . . 43 LYS HD3 . 16712 1 515 . 1 1 43 43 LYS HE2 H 1 2.742 0.020 . 1 . . . . 43 LYS HE2 . 16712 1 516 . 1 1 43 43 LYS HE3 H 1 2.742 0.020 . 1 . . . . 43 LYS HE3 . 16712 1 517 . 1 1 43 43 LYS HG2 H 1 1.345 0.020 . 1 . . . . 43 LYS HG2 . 16712 1 518 . 1 1 43 43 LYS HG3 H 1 1.345 0.020 . 1 . . . . 43 LYS HG3 . 16712 1 519 . 1 1 43 43 LYS C C 13 176.674 0.3 . 1 . . . . 43 LYS C . 16712 1 520 . 1 1 43 43 LYS CA C 13 56.111 0.3 . 1 . . . . 43 LYS CA . 16712 1 521 . 1 1 43 43 LYS CB C 13 29.321 0.3 . 1 . . . . 43 LYS CB . 16712 1 522 . 1 1 43 43 LYS CD C 13 26.004 0.3 . 1 . . . . 43 LYS CD . 16712 1 523 . 1 1 43 43 LYS CE C 13 38.980 0.3 . 1 . . . . 43 LYS CE . 16712 1 524 . 1 1 43 43 LYS CG C 13 22.269 0.3 . 1 . . . . 43 LYS CG . 16712 1 525 . 1 1 43 43 LYS N N 15 119.100 0.3 . 1 . . . . 43 LYS N . 16712 1 526 . 1 1 44 44 PHE H H 1 8.336 0.020 . 1 . . . . 44 PHE H . 16712 1 527 . 1 1 44 44 PHE HA H 1 3.923 0.020 . 1 . . . . 44 PHE HA . 16712 1 528 . 1 1 44 44 PHE HB2 H 1 2.907 0.020 . 2 . . . . 44 PHE HB2 . 16712 1 529 . 1 1 44 44 PHE HB3 H 1 2.776 0.020 . 2 . . . . 44 PHE HB3 . 16712 1 530 . 1 1 44 44 PHE HD1 H 1 6.752 0.020 . 1 . . . . 44 PHE HD1 . 16712 1 531 . 1 1 44 44 PHE HD2 H 1 6.752 0.020 . 1 . . . . 44 PHE HD2 . 16712 1 532 . 1 1 44 44 PHE HE1 H 1 6.607 0.020 . 1 . . . . 44 PHE HE1 . 16712 1 533 . 1 1 44 44 PHE HE2 H 1 6.607 0.020 . 1 . . . . 44 PHE HE2 . 16712 1 534 . 1 1 44 44 PHE HZ H 1 5.829 0.020 . 1 . . . . 44 PHE HZ . 16712 1 535 . 1 1 44 44 PHE C C 13 174.584 0.3 . 1 . . . . 44 PHE C . 16712 1 536 . 1 1 44 44 PHE CA C 13 58.137 0.3 . 1 . . . . 44 PHE CA . 16712 1 537 . 1 1 44 44 PHE CB C 13 37.289 0.3 . 1 . . . . 44 PHE CB . 16712 1 538 . 1 1 44 44 PHE CD1 C 13 128.325 0.3 . 1 . . . . 44 PHE CD1 . 16712 1 539 . 1 1 44 44 PHE CE1 C 13 127.175 0.3 . 1 . . . . 44 PHE CE1 . 16712 1 540 . 1 1 44 44 PHE CZ C 13 125.760 0.3 . 1 . . . . 44 PHE CZ . 16712 1 541 . 1 1 44 44 PHE N N 15 120.727 0.3 . 1 . . . . 44 PHE N . 16712 1 542 . 1 1 45 45 GLY H H 1 8.688 0.020 . 1 . . . . 45 GLY H . 16712 1 543 . 1 1 45 45 GLY HA2 H 1 3.543 0.020 . 2 . . . . 45 GLY HA2 . 16712 1 544 . 1 1 45 45 GLY HA3 H 1 3.223 0.020 . 2 . . . . 45 GLY HA3 . 16712 1 545 . 1 1 45 45 GLY C C 13 172.852 0.3 . 1 . . . . 45 GLY C . 16712 1 546 . 1 1 45 45 GLY CA C 13 43.975 0.3 . 1 . . . . 45 GLY CA . 16712 1 547 . 1 1 45 45 GLY N N 15 106.547 0.3 . 1 . . . . 45 GLY N . 16712 1 548 . 1 1 46 46 ALA H H 1 7.080 0.020 . 1 . . . . 46 ALA H . 16712 1 549 . 1 1 46 46 ALA HA H 1 3.888 0.020 . 1 . . . . 46 ALA HA . 16712 1 550 . 1 1 46 46 ALA HB1 H 1 1.241 0.020 . 1 . . . . 46 ALA HB . 16712 1 551 . 1 1 46 46 ALA HB2 H 1 1.241 0.020 . 1 . . . . 46 ALA HB . 16712 1 552 . 1 1 46 46 ALA HB3 H 1 1.241 0.020 . 1 . . . . 46 ALA HB . 16712 1 553 . 1 1 46 46 ALA C C 13 176.266 0.3 . 1 . . . . 46 ALA C . 16712 1 554 . 1 1 46 46 ALA CA C 13 51.142 0.3 . 1 . . . . 46 ALA CA . 16712 1 555 . 1 1 46 46 ALA CB C 13 15.330 0.3 . 1 . . . . 46 ALA CB . 16712 1 556 . 1 1 46 46 ALA N N 15 120.428 0.3 . 1 . . . . 46 ALA N . 16712 1 557 . 1 1 47 47 ARG H H 1 6.813 0.020 . 1 . . . . 47 ARG H . 16712 1 558 . 1 1 47 47 ARG HA H 1 4.102 0.020 . 1 . . . . 47 ARG HA . 16712 1 559 . 1 1 47 47 ARG HB2 H 1 1.692 0.020 . 2 . . . . 47 ARG HB2 . 16712 1 560 . 1 1 47 47 ARG HB3 H 1 1.501 0.020 . 2 . . . . 47 ARG HB3 . 16712 1 561 . 1 1 47 47 ARG HD2 H 1 2.935 0.020 . 1 . . . . 47 ARG HD2 . 16712 1 562 . 1 1 47 47 ARG HD3 H 1 2.935 0.020 . 1 . . . . 47 ARG HD3 . 16712 1 563 . 1 1 47 47 ARG HE H 1 7.028 0.020 . 1 . . . . 47 ARG HE . 16712 1 564 . 1 1 47 47 ARG HG2 H 1 1.420 0.020 . 1 . . . . 47 ARG HG2 . 16712 1 565 . 1 1 47 47 ARG HG3 H 1 1.420 0.020 . 1 . . . . 47 ARG HG3 . 16712 1 566 . 1 1 47 47 ARG C C 13 172.227 0.3 . 1 . . . . 47 ARG C . 16712 1 567 . 1 1 47 47 ARG CA C 13 52.505 0.3 . 1 . . . . 47 ARG CA . 16712 1 568 . 1 1 47 47 ARG CB C 13 27.561 0.3 . 1 . . . . 47 ARG CB . 16712 1 569 . 1 1 47 47 ARG CD C 13 40.232 0.3 . 1 . . . . 47 ARG CD . 16712 1 570 . 1 1 47 47 ARG CG C 13 23.955 0.3 . 1 . . . . 47 ARG CG . 16712 1 571 . 1 1 47 47 ARG N N 15 114.716 0.3 . 1 . . . . 47 ARG N . 16712 1 572 . 1 1 47 47 ARG NE N 15 84.340 0.3 . 1 . . . . 47 ARG NE . 16712 1 573 . 1 1 48 48 ALA H H 1 7.104 0.020 . 1 . . . . 48 ALA H . 16712 1 574 . 1 1 48 48 ALA HA H 1 4.492 0.020 . 1 . . . . 48 ALA HA . 16712 1 575 . 1 1 48 48 ALA HB1 H 1 0.115 0.020 . 1 . . . . 48 ALA HB . 16712 1 576 . 1 1 48 48 ALA HB2 H 1 0.115 0.020 . 1 . . . . 48 ALA HB . 16712 1 577 . 1 1 48 48 ALA HB3 H 1 0.115 0.020 . 1 . . . . 48 ALA HB . 16712 1 578 . 1 1 48 48 ALA C C 13 170.885 0.3 . 1 . . . . 48 ALA C . 16712 1 579 . 1 1 48 48 ALA CA C 13 46.811 0.3 . 1 . . . . 48 ALA CA . 16712 1 580 . 1 1 48 48 ALA CB C 13 14.978 0.3 . 1 . . . . 48 ALA CB . 16712 1 581 . 1 1 48 48 ALA N N 15 124.147 0.3 . 1 . . . . 48 ALA N . 16712 1 582 . 1 1 49 49 PRO HA H 1 4.229 0.020 . 1 . . . . 49 PRO HA . 16712 1 583 . 1 1 49 49 PRO HB2 H 1 2.083 0.020 . 2 . . . . 49 PRO HB2 . 16712 1 584 . 1 1 49 49 PRO HB3 H 1 1.743 0.020 . 2 . . . . 49 PRO HB3 . 16712 1 585 . 1 1 49 49 PRO HD2 H 1 3.389 0.020 . 2 . . . . 49 PRO HD2 . 16712 1 586 . 1 1 49 49 PRO HD3 H 1 2.971 0.020 . 2 . . . . 49 PRO HD3 . 16712 1 587 . 1 1 49 49 PRO HG2 H 1 1.698 0.020 . 2 . . . . 49 PRO HG2 . 16712 1 588 . 1 1 49 49 PRO HG3 H 1 1.622 0.020 . 2 . . . . 49 PRO HG3 . 16712 1 589 . 1 1 49 49 PRO C C 13 174.227 0.3 . 1 . . . . 49 PRO C . 16712 1 590 . 1 1 49 49 PRO CA C 13 61.519 0.3 . 1 . . . . 49 PRO CA . 16712 1 591 . 1 1 49 49 PRO CB C 13 28.705 0.3 . 1 . . . . 49 PRO CB . 16712 1 592 . 1 1 49 49 PRO CD C 13 47.382 0.3 . 1 . . . . 49 PRO CD . 16712 1 593 . 1 1 49 49 PRO CG C 13 24.053 0.3 . 1 . . . . 49 PRO CG . 16712 1 594 . 1 1 50 50 GLN H H 1 8.888 0.020 . 1 . . . . 50 GLN H . 16712 1 595 . 1 1 50 50 GLN HA H 1 4.115 0.020 . 1 . . . . 50 GLN HA . 16712 1 596 . 1 1 50 50 GLN HB2 H 1 1.926 0.020 . 1 . . . . 50 GLN HB2 . 16712 1 597 . 1 1 50 50 GLN HB3 H 1 1.926 0.020 . 1 . . . . 50 GLN HB3 . 16712 1 598 . 1 1 50 50 GLN HE21 H 1 7.332 0.020 . 1 . . . . 50 GLN HE21 . 16712 1 599 . 1 1 50 50 GLN HE22 H 1 6.957 0.020 . 1 . . . . 50 GLN HE22 . 16712 1 600 . 1 1 50 50 GLN HG2 H 1 2.401 0.020 . 2 . . . . 50 GLN HG2 . 16712 1 601 . 1 1 50 50 GLN HG3 H 1 2.102 0.020 . 2 . . . . 50 GLN HG3 . 16712 1 602 . 1 1 50 50 GLN C C 13 172.369 0.3 . 1 . . . . 50 GLN C . 16712 1 603 . 1 1 50 50 GLN CA C 13 53.648 0.3 . 1 . . . . 50 GLN CA . 16712 1 604 . 1 1 50 50 GLN CB C 13 23.689 0.3 . 1 . . . . 50 GLN CB . 16712 1 605 . 1 1 50 50 GLN CD C 13 178.430 0.3 . 1 . . . . 50 GLN CD . 16712 1 606 . 1 1 50 50 GLN CG C 13 30.035 0.3 . 1 . . . . 50 GLN CG . 16712 1 607 . 1 1 50 50 GLN N N 15 118.037 0.3 . 1 . . . . 50 GLN N . 16712 1 608 . 1 1 50 50 GLN NE2 N 15 111.188 0.3 . 1 . . . . 50 GLN NE2 . 16712 1 609 . 1 1 51 51 VAL H H 1 7.269 0.020 . 1 . . . . 51 VAL H . 16712 1 610 . 1 1 51 51 VAL HA H 1 3.749 0.020 . 1 . . . . 51 VAL HA . 16712 1 611 . 1 1 51 51 VAL HB H 1 1.796 0.020 . 1 . . . . 51 VAL HB . 16712 1 612 . 1 1 51 51 VAL HG11 H 1 0.601 0.020 . 1 . . . . 51 VAL HG1 . 16712 1 613 . 1 1 51 51 VAL HG12 H 1 0.601 0.020 . 1 . . . . 51 VAL HG1 . 16712 1 614 . 1 1 51 51 VAL HG13 H 1 0.601 0.020 . 1 . . . . 51 VAL HG1 . 16712 1 615 . 1 1 51 51 VAL HG21 H 1 0.638 0.020 . 1 . . . . 51 VAL HG2 . 16712 1 616 . 1 1 51 51 VAL HG22 H 1 0.638 0.020 . 1 . . . . 51 VAL HG2 . 16712 1 617 . 1 1 51 51 VAL HG23 H 1 0.638 0.020 . 1 . . . . 51 VAL HG2 . 16712 1 618 . 1 1 51 51 VAL C C 13 172.187 0.3 . 1 . . . . 51 VAL C . 16712 1 619 . 1 1 51 51 VAL CA C 13 59.210 0.3 . 1 . . . . 51 VAL CA . 16712 1 620 . 1 1 51 51 VAL CB C 13 29.497 0.3 . 1 . . . . 51 VAL CB . 16712 1 621 . 1 1 51 51 VAL CG1 C 13 19.971 0.3 . 1 . . . . 51 VAL CG1 . 16712 1 622 . 1 1 51 51 VAL CG2 C 13 17.808 0.3 . 1 . . . . 51 VAL CG2 . 16712 1 623 . 1 1 51 51 VAL N N 15 122.686 0.3 . 1 . . . . 51 VAL N . 16712 1 624 . 1 1 52 52 ALA H H 1 8.255 0.020 . 1 . . . . 52 ALA H . 16712 1 625 . 1 1 52 52 ALA HA H 1 4.388 0.020 . 1 . . . . 52 ALA HA . 16712 1 626 . 1 1 52 52 ALA HB1 H 1 1.317 0.020 . 1 . . . . 52 ALA HB . 16712 1 627 . 1 1 52 52 ALA HB2 H 1 1.317 0.020 . 1 . . . . 52 ALA HB . 16712 1 628 . 1 1 52 52 ALA HB3 H 1 1.317 0.020 . 1 . . . . 52 ALA HB . 16712 1 629 . 1 1 52 52 ALA C C 13 173.679 0.3 . 1 . . . . 52 ALA C . 16712 1 630 . 1 1 52 52 ALA CA C 13 48.943 0.3 . 1 . . . . 52 ALA CA . 16712 1 631 . 1 1 52 52 ALA CB C 13 15.682 0.3 . 1 . . . . 52 ALA CB . 16712 1 632 . 1 1 52 52 ALA N N 15 131.652 0.3 . 1 . . . . 52 ALA N . 16712 1 633 . 1 1 53 53 ILE H H 1 8.782 0.020 . 1 . . . . 53 ILE H . 16712 1 634 . 1 1 53 53 ILE HA H 1 5.048 0.020 . 1 . . . . 53 ILE HA . 16712 1 635 . 1 1 53 53 ILE HB H 1 1.622 0.020 . 1 . . . . 53 ILE HB . 16712 1 636 . 1 1 53 53 ILE HD11 H 1 0.696 0.020 . 1 . . . . 53 ILE HD1 . 16712 1 637 . 1 1 53 53 ILE HD12 H 1 0.696 0.020 . 1 . . . . 53 ILE HD1 . 16712 1 638 . 1 1 53 53 ILE HD13 H 1 0.696 0.020 . 1 . . . . 53 ILE HD1 . 16712 1 639 . 1 1 53 53 ILE HG12 H 1 1.606 0.020 . 2 . . . . 53 ILE HG12 . 16712 1 640 . 1 1 53 53 ILE HG13 H 1 0.626 0.020 . 2 . . . . 53 ILE HG13 . 16712 1 641 . 1 1 53 53 ILE HG21 H 1 0.654 0.020 . 1 . . . . 53 ILE HG2 . 16712 1 642 . 1 1 53 53 ILE HG22 H 1 0.654 0.020 . 1 . . . . 53 ILE HG2 . 16712 1 643 . 1 1 53 53 ILE HG23 H 1 0.654 0.020 . 1 . . . . 53 ILE HG2 . 16712 1 644 . 1 1 53 53 ILE C C 13 172.580 0.3 . 1 . . . . 53 ILE C . 16712 1 645 . 1 1 53 53 ILE CA C 13 57.957 0.3 . 1 . . . . 53 ILE CA . 16712 1 646 . 1 1 53 53 ILE CB C 13 35.216 0.3 . 1 . . . . 53 ILE CB . 16712 1 647 . 1 1 53 53 ILE CD1 C 13 10.875 0.3 . 1 . . . . 53 ILE CD1 . 16712 1 648 . 1 1 53 53 ILE CG1 C 13 25.046 0.3 . 1 . . . . 53 ILE CG1 . 16712 1 649 . 1 1 53 53 ILE CG2 C 13 15.713 0.3 . 1 . . . . 53 ILE CG2 . 16712 1 650 . 1 1 53 53 ILE N N 15 127.800 0.3 . 1 . . . . 53 ILE N . 16712 1 651 . 1 1 54 54 SER H H 1 8.782 0.020 . 1 . . . . 54 SER H . 16712 1 652 . 1 1 54 54 SER HA H 1 5.363 0.020 . 1 . . . . 54 SER HA . 16712 1 653 . 1 1 54 54 SER HB2 H 1 3.819 0.020 . 2 . . . . 54 SER HB2 . 16712 1 654 . 1 1 54 54 SER HB3 H 1 3.603 0.020 . 2 . . . . 54 SER HB3 . 16712 1 655 . 1 1 54 54 SER C C 13 169.993 0.3 . 1 . . . . 54 SER C . 16712 1 656 . 1 1 54 54 SER CA C 13 54.396 0.3 . 1 . . . . 54 SER CA . 16712 1 657 . 1 1 54 54 SER CB C 13 63.902 0.3 . 1 . . . . 54 SER CB . 16712 1 658 . 1 1 54 54 SER N N 15 123.815 0.3 . 1 . . . . 54 SER N . 16712 1 659 . 1 1 55 55 SER H H 1 9.146 0.020 . 1 . . . . 55 SER H . 16712 1 660 . 1 1 55 55 SER HA H 1 5.487 0.020 . 1 . . . . 55 SER HA . 16712 1 661 . 1 1 55 55 SER HB2 H 1 3.425 0.020 . 1 . . . . 55 SER HB2 . 16712 1 662 . 1 1 55 55 SER HB3 H 1 3.425 0.020 . 1 . . . . 55 SER HB3 . 16712 1 663 . 1 1 55 55 SER C C 13 169.108 0.3 . 1 . . . . 55 SER C . 16712 1 664 . 1 1 55 55 SER CA C 13 52.989 0.3 . 1 . . . . 55 SER CA . 16712 1 665 . 1 1 55 55 SER CB C 13 64.262 0.3 . 1 . . . . 55 SER CB . 16712 1 666 . 1 1 55 55 SER N N 15 115.181 0.3 . 1 . . . . 55 SER N . 16712 1 667 . 1 1 56 56 VAL H H 1 8.136 0.020 . 1 . . . . 56 VAL H . 16712 1 668 . 1 1 56 56 VAL HA H 1 3.891 0.020 . 1 . . . . 56 VAL HA . 16712 1 669 . 1 1 56 56 VAL HB H 1 0.094 0.020 . 1 . . . . 56 VAL HB . 16712 1 670 . 1 1 56 56 VAL HG11 H 1 0.020 0.020 . 1 . . . . 56 VAL HG1 . 16712 1 671 . 1 1 56 56 VAL HG12 H 1 0.020 0.020 . 1 . . . . 56 VAL HG1 . 16712 1 672 . 1 1 56 56 VAL HG13 H 1 0.020 0.020 . 1 . . . . 56 VAL HG1 . 16712 1 673 . 1 1 56 56 VAL HG21 H 1 0.330 0.020 . 1 . . . . 56 VAL HG2 . 16712 1 674 . 1 1 56 56 VAL HG22 H 1 0.330 0.020 . 1 . . . . 56 VAL HG2 . 16712 1 675 . 1 1 56 56 VAL HG23 H 1 0.330 0.020 . 1 . . . . 56 VAL HG2 . 16712 1 676 . 1 1 56 56 VAL C C 13 171.450 0.3 . 1 . . . . 56 VAL C . 16712 1 677 . 1 1 56 56 VAL CA C 13 57.298 0.3 . 1 . . . . 56 VAL CA . 16712 1 678 . 1 1 56 56 VAL CB C 13 33.355 0.3 . 1 . . . . 56 VAL CB . 16712 1 679 . 1 1 56 56 VAL CG1 C 13 20.085 0.3 . 1 . . . . 56 VAL CG1 . 16712 1 680 . 1 1 56 56 VAL CG2 C 13 19.402 0.3 . 1 . . . . 56 VAL CG2 . 16712 1 681 . 1 1 56 56 VAL N N 15 118.436 0.3 . 1 . . . . 56 VAL N . 16712 1 682 . 1 1 57 57 ASP H H 1 8.137 0.020 . 1 . . . . 57 ASP H . 16712 1 683 . 1 1 57 57 ASP HA H 1 4.192 0.020 . 1 . . . . 57 ASP HA . 16712 1 684 . 1 1 57 57 ASP HB2 H 1 2.682 0.020 . 2 . . . . 57 ASP HB2 . 16712 1 685 . 1 1 57 57 ASP HB3 H 1 2.284 0.020 . 2 . . . . 57 ASP HB3 . 16712 1 686 . 1 1 57 57 ASP C C 13 173.911 0.3 . 1 . . . . 57 ASP C . 16712 1 687 . 1 1 57 57 ASP CA C 13 49.845 0.3 . 1 . . . . 57 ASP CA . 16712 1 688 . 1 1 57 57 ASP CB C 13 37.592 0.3 . 1 . . . . 57 ASP CB . 16712 1 689 . 1 1 57 57 ASP CG C 13 176.906 0.3 . 1 . . . . 57 ASP CG . 16712 1 690 . 1 1 57 57 ASP N N 15 126.605 0.3 . 1 . . . . 57 ASP N . 16712 1 691 . 1 1 58 58 SER H H 1 9.086 0.020 . 1 . . . . 58 SER H . 16712 1 692 . 1 1 58 58 SER HA H 1 3.646 0.020 . 1 . . . . 58 SER HA . 16712 1 693 . 1 1 58 58 SER HB2 H 1 4.171 0.020 . 2 . . . . 58 SER HB2 . 16712 1 694 . 1 1 58 58 SER HB3 H 1 3.509 0.020 . 2 . . . . 58 SER HB3 . 16712 1 695 . 1 1 58 58 SER C C 13 173.390 0.3 . 1 . . . . 58 SER C . 16712 1 696 . 1 1 58 58 SER CA C 13 58.925 0.3 . 1 . . . . 58 SER CA . 16712 1 697 . 1 1 58 58 SER CB C 13 60.822 0.3 . 1 . . . . 58 SER CB . 16712 1 698 . 1 1 58 58 SER N N 15 125.343 0.3 . 1 . . . . 58 SER N . 16712 1 699 . 1 1 59 59 GLU H H 1 7.858 0.020 . 1 . . . . 59 GLU H . 16712 1 700 . 1 1 59 59 GLU HA H 1 3.891 0.020 . 1 . . . . 59 GLU HA . 16712 1 701 . 1 1 59 59 GLU HB2 H 1 1.889 0.020 . 1 . . . . 59 GLU HB2 . 16712 1 702 . 1 1 59 59 GLU HB3 H 1 1.889 0.020 . 1 . . . . 59 GLU HB3 . 16712 1 703 . 1 1 59 59 GLU HG2 H 1 2.186 0.020 . 2 . . . . 59 GLU HG2 . 16712 1 704 . 1 1 59 59 GLU HG3 H 1 1.997 0.020 . 2 . . . . 59 GLU HG3 . 16712 1 705 . 1 1 59 59 GLU C C 13 174.983 0.3 . 1 . . . . 59 GLU C . 16712 1 706 . 1 1 59 59 GLU CA C 13 55.103 0.3 . 1 . . . . 59 GLU CA . 16712 1 707 . 1 1 59 59 GLU CB C 13 26.681 0.3 . 1 . . . . 59 GLU CB . 16712 1 708 . 1 1 59 59 GLU CD C 13 181.089 0.3 . 1 . . . . 59 GLU CD . 16712 1 709 . 1 1 59 59 GLU CG C 13 35.110 0.3 . 1 . . . . 59 GLU CG . 16712 1 710 . 1 1 59 59 GLU N N 15 120.574 0.3 . 1 . . . . 59 GLU N . 16712 1 711 . 1 1 60 60 ALA H H 1 7.279 0.020 . 1 . . . . 60 ALA H . 16712 1 712 . 1 1 60 60 ALA HA H 1 4.194 0.020 . 1 . . . . 60 ALA HA . 16712 1 713 . 1 1 60 60 ALA HB1 H 1 1.275 0.020 . 1 . . . . 60 ALA HB . 16712 1 714 . 1 1 60 60 ALA HB2 H 1 1.275 0.020 . 1 . . . . 60 ALA HB . 16712 1 715 . 1 1 60 60 ALA HB3 H 1 1.275 0.020 . 1 . . . . 60 ALA HB . 16712 1 716 . 1 1 60 60 ALA C C 13 175.441 0.3 . 1 . . . . 60 ALA C . 16712 1 717 . 1 1 60 60 ALA CA C 13 49.823 0.3 . 1 . . . . 60 ALA CA . 16712 1 718 . 1 1 60 60 ALA CB C 13 17.002 0.3 . 1 . . . . 60 ALA CB . 16712 1 719 . 1 1 60 60 ALA N N 15 120.229 0.3 . 1 . . . . 60 ALA N . 16712 1 720 . 1 1 61 61 ARG H H 1 6.799 0.020 . 1 . . . . 61 ARG H . 16712 1 721 . 1 1 61 61 ARG HA H 1 5.003 0.020 . 1 . . . . 61 ARG HA . 16712 1 722 . 1 1 61 61 ARG HB2 H 1 1.852 0.020 . 2 . . . . 61 ARG HB2 . 16712 1 723 . 1 1 61 61 ARG HB3 H 1 1.346 0.020 . 2 . . . . 61 ARG HB3 . 16712 1 724 . 1 1 61 61 ARG HD2 H 1 3.213 0.020 . 1 . . . . 61 ARG HD2 . 16712 1 725 . 1 1 61 61 ARG HD3 H 1 3.213 0.020 . 1 . . . . 61 ARG HD3 . 16712 1 726 . 1 1 61 61 ARG HE H 1 8.107 0.020 . 1 . . . . 61 ARG HE . 16712 1 727 . 1 1 61 61 ARG HG2 H 1 1.690 0.020 . 2 . . . . 61 ARG HG2 . 16712 1 728 . 1 1 61 61 ARG HG3 H 1 1.091 0.020 . 2 . . . . 61 ARG HG3 . 16712 1 729 . 1 1 61 61 ARG C C 13 170.901 0.3 . 1 . . . . 61 ARG C . 16712 1 730 . 1 1 61 61 ARG CA C 13 47.756 0.3 . 1 . . . . 61 ARG CA . 16712 1 731 . 1 1 61 61 ARG CB C 13 25.361 0.3 . 1 . . . . 61 ARG CB . 16712 1 732 . 1 1 61 61 ARG CD C 13 37.045 0.3 . 1 . . . . 61 ARG CD . 16712 1 733 . 1 1 61 61 ARG CG C 13 21.678 0.3 . 1 . . . . 61 ARG CG . 16712 1 734 . 1 1 61 61 ARG N N 15 113.912 0.3 . 1 . . . . 61 ARG N . 16712 1 735 . 1 1 61 61 ARG NE N 15 80.160 0.3 . 1 . . . . 61 ARG NE . 16712 1 736 . 1 1 62 62 PRO HA H 1 4.168 0.020 . 1 . . . . 62 PRO HA . 16712 1 737 . 1 1 62 62 PRO HB2 H 1 2.086 0.020 . 2 . . . . 62 PRO HB2 . 16712 1 738 . 1 1 62 62 PRO HB3 H 1 1.777 0.020 . 2 . . . . 62 PRO HB3 . 16712 1 739 . 1 1 62 62 PRO HD2 H 1 3.463 0.020 . 2 . . . . 62 PRO HD2 . 16712 1 740 . 1 1 62 62 PRO HD3 H 1 3.173 0.020 . 2 . . . . 62 PRO HD3 . 16712 1 741 . 1 1 62 62 PRO HG2 H 1 1.888 0.020 . 1 . . . . 62 PRO HG2 . 16712 1 742 . 1 1 62 62 PRO HG3 H 1 1.888 0.020 . 1 . . . . 62 PRO HG3 . 16712 1 743 . 1 1 62 62 PRO C C 13 176.839 0.3 . 1 . . . . 62 PRO C . 16712 1 744 . 1 1 62 62 PRO CA C 13 62.662 0.3 . 1 . . . . 62 PRO CA . 16712 1 745 . 1 1 62 62 PRO CB C 13 27.913 0.3 . 1 . . . . 62 PRO CB . 16712 1 746 . 1 1 62 62 PRO CD C 13 47.154 0.3 . 1 . . . . 62 PRO CD . 16712 1 747 . 1 1 62 62 PRO CG C 13 24.396 0.3 . 1 . . . . 62 PRO CG . 16712 1 748 . 1 1 63 63 GLU H H 1 9.567 0.020 . 1 . . . . 63 GLU H . 16712 1 749 . 1 1 63 63 GLU HA H 1 4.036 0.020 . 1 . . . . 63 GLU HA . 16712 1 750 . 1 1 63 63 GLU HB2 H 1 1.925 0.020 . 2 . . . . 63 GLU HB2 . 16712 1 751 . 1 1 63 63 GLU HB3 H 1 1.866 0.020 . 2 . . . . 63 GLU HB3 . 16712 1 752 . 1 1 63 63 GLU HG2 H 1 2.348 0.020 . 2 . . . . 63 GLU HG2 . 16712 1 753 . 1 1 63 63 GLU HG3 H 1 2.087 0.020 . 2 . . . . 63 GLU HG3 . 16712 1 754 . 1 1 63 63 GLU C C 13 175.602 0.3 . 1 . . . . 63 GLU C . 16712 1 755 . 1 1 63 63 GLU CA C 13 55.627 0.3 . 1 . . . . 63 GLU CA . 16712 1 756 . 1 1 63 63 GLU CB C 13 23.953 0.3 . 1 . . . . 63 GLU CB . 16712 1 757 . 1 1 63 63 GLU CD C 13 181.512 0.3 . 1 . . . . 63 GLU CD . 16712 1 758 . 1 1 63 63 GLU CG C 13 32.754 0.3 . 1 . . . . 63 GLU CG . 16712 1 759 . 1 1 63 63 GLU N N 15 122.155 0.3 . 1 . . . . 63 GLU N . 16712 1 760 . 1 1 64 64 LEU H H 1 7.222 0.020 . 1 . . . . 64 LEU H . 16712 1 761 . 1 1 64 64 LEU HA H 1 4.192 0.020 . 1 . . . . 64 LEU HA . 16712 1 762 . 1 1 64 64 LEU HB2 H 1 1.731 0.020 . 2 . . . . 64 LEU HB2 . 16712 1 763 . 1 1 64 64 LEU HB3 H 1 1.556 0.020 . 2 . . . . 64 LEU HB3 . 16712 1 764 . 1 1 64 64 LEU HD11 H 1 0.775 0.020 . 1 . . . . 64 LEU HD1 . 16712 1 765 . 1 1 64 64 LEU HD12 H 1 0.775 0.020 . 1 . . . . 64 LEU HD1 . 16712 1 766 . 1 1 64 64 LEU HD13 H 1 0.775 0.020 . 1 . . . . 64 LEU HD1 . 16712 1 767 . 1 1 64 64 LEU HD21 H 1 0.837 0.020 . 1 . . . . 64 LEU HD2 . 16712 1 768 . 1 1 64 64 LEU HD22 H 1 0.837 0.020 . 1 . . . . 64 LEU HD2 . 16712 1 769 . 1 1 64 64 LEU HD23 H 1 0.837 0.020 . 1 . . . . 64 LEU HD2 . 16712 1 770 . 1 1 64 64 LEU HG H 1 1.565 0.020 . 1 . . . . 64 LEU HG . 16712 1 771 . 1 1 64 64 LEU C C 13 175.176 0.3 . 1 . . . . 64 LEU C . 16712 1 772 . 1 1 64 64 LEU CA C 13 53.714 0.3 . 1 . . . . 64 LEU CA . 16712 1 773 . 1 1 64 64 LEU CB C 13 39.088 0.3 . 1 . . . . 64 LEU CB . 16712 1 774 . 1 1 64 64 LEU CD1 C 13 22.567 0.3 . 1 . . . . 64 LEU CD1 . 16712 1 775 . 1 1 64 64 LEU CD2 C 13 21.045 0.3 . 1 . . . . 64 LEU CD2 . 16712 1 776 . 1 1 64 64 LEU CG C 13 24.228 0.3 . 1 . . . . 64 LEU CG . 16712 1 777 . 1 1 64 64 LEU N N 15 123.549 0.3 . 1 . . . . 64 LEU N . 16712 1 778 . 1 1 65 65 MET H H 1 6.788 0.020 . 1 . . . . 65 MET H . 16712 1 779 . 1 1 65 65 MET HA H 1 3.773 0.020 . 1 . . . . 65 MET HA . 16712 1 780 . 1 1 65 65 MET HB2 H 1 1.616 0.020 . 1 . . . . 65 MET HB2 . 16712 1 781 . 1 1 65 65 MET HB3 H 1 1.616 0.020 . 1 . . . . 65 MET HB3 . 16712 1 782 . 1 1 65 65 MET HE1 H 1 1.963 0.020 . 1 . . . . 65 MET HE . 16712 1 783 . 1 1 65 65 MET HE2 H 1 1.963 0.020 . 1 . . . . 65 MET HE . 16712 1 784 . 1 1 65 65 MET HE3 H 1 1.963 0.020 . 1 . . . . 65 MET HE . 16712 1 785 . 1 1 65 65 MET HG2 H 1 2.198 0.020 . 2 . . . . 65 MET HG2 . 16712 1 786 . 1 1 65 65 MET HG3 H 1 2.062 0.020 . 2 . . . . 65 MET HG3 . 16712 1 787 . 1 1 65 65 MET C C 13 174.251 0.3 . 1 . . . . 65 MET C . 16712 1 788 . 1 1 65 65 MET CA C 13 56.242 0.3 . 1 . . . . 65 MET CA . 16712 1 789 . 1 1 65 65 MET CB C 13 28.931 0.3 . 1 . . . . 65 MET CB . 16712 1 790 . 1 1 65 65 MET CE C 13 26.533 0.3 . 1 . . . . 65 MET CE . 16712 1 791 . 1 1 65 65 MET CG C 13 32.819 0.3 . 1 . . . . 65 MET CG . 16712 1 792 . 1 1 65 65 MET N N 15 116.509 0.3 . 1 . . . . 65 MET N . 16712 1 793 . 1 1 66 66 LYS H H 1 6.801 0.020 . 1 . . . . 66 LYS H . 16712 1 794 . 1 1 66 66 LYS HA H 1 3.767 0.020 . 1 . . . . 66 LYS HA . 16712 1 795 . 1 1 66 66 LYS HB2 H 1 1.616 0.020 . 1 . . . . 66 LYS HB2 . 16712 1 796 . 1 1 66 66 LYS HB3 H 1 1.616 0.020 . 1 . . . . 66 LYS HB3 . 16712 1 797 . 1 1 66 66 LYS HD2 H 1 1.450 0.020 . 1 . . . . 66 LYS HD2 . 16712 1 798 . 1 1 66 66 LYS HD3 H 1 1.450 0.020 . 1 . . . . 66 LYS HD3 . 16712 1 799 . 1 1 66 66 LYS HE2 H 1 2.741 0.020 . 1 . . . . 66 LYS HE2 . 16712 1 800 . 1 1 66 66 LYS HE3 H 1 2.741 0.020 . 1 . . . . 66 LYS HE3 . 16712 1 801 . 1 1 66 66 LYS HG2 H 1 1.236 0.020 . 2 . . . . 66 LYS HG2 . 16712 1 802 . 1 1 66 66 LYS HG3 H 1 1.165 0.020 . 2 . . . . 66 LYS HG3 . 16712 1 803 . 1 1 66 66 LYS C C 13 177.250 0.3 . 1 . . . . 66 LYS C . 16712 1 804 . 1 1 66 66 LYS CA C 13 55.723 0.3 . 1 . . . . 66 LYS CA . 16712 1 805 . 1 1 66 66 LYS CB C 13 28.860 0.3 . 1 . . . . 66 LYS CB . 16712 1 806 . 1 1 66 66 LYS CD C 13 26.186 0.3 . 1 . . . . 66 LYS CD . 16712 1 807 . 1 1 66 66 LYS CE C 13 38.752 0.3 . 1 . . . . 66 LYS CE . 16712 1 808 . 1 1 66 66 LYS CG C 13 21.766 0.3 . 1 . . . . 66 LYS CG . 16712 1 809 . 1 1 66 66 LYS N N 15 116.459 0.3 . 1 . . . . 66 LYS N . 16712 1 810 . 1 1 67 67 GLU H H 1 7.550 0.020 . 1 . . . . 67 GLU H . 16712 1 811 . 1 1 67 67 GLU HA H 1 3.773 0.020 . 1 . . . . 67 GLU HA . 16712 1 812 . 1 1 67 67 GLU HB2 H 1 1.962 0.020 . 1 . . . . 67 GLU HB2 . 16712 1 813 . 1 1 67 67 GLU HB3 H 1 1.962 0.020 . 1 . . . . 67 GLU HB3 . 16712 1 814 . 1 1 67 67 GLU HG2 H 1 2.203 0.020 . 2 . . . . 67 GLU HG2 . 16712 1 815 . 1 1 67 67 GLU HG3 H 1 2.064 0.020 . 2 . . . . 67 GLU HG3 . 16712 1 816 . 1 1 67 67 GLU C C 13 175.464 0.3 . 1 . . . . 67 GLU C . 16712 1 817 . 1 1 67 67 GLU CA C 13 56.396 0.3 . 1 . . . . 67 GLU CA . 16712 1 818 . 1 1 67 67 GLU CB C 13 26.681 0.3 . 1 . . . . 67 GLU CB . 16712 1 819 . 1 1 67 67 GLU CD C 13 179.223 0.3 . 1 . . . . 67 GLU CD . 16712 1 820 . 1 1 67 67 GLU CG C 13 32.833 0.3 . 1 . . . . 67 GLU CG . 16712 1 821 . 1 1 67 67 GLU N N 15 119.963 0.3 . 1 . . . . 67 GLU N . 16712 1 822 . 1 1 68 68 LEU H H 1 7.474 0.020 . 1 . . . . 68 LEU H . 16712 1 823 . 1 1 68 68 LEU HA H 1 4.106 0.020 . 1 . . . . 68 LEU HA . 16712 1 824 . 1 1 68 68 LEU HB2 H 1 1.669 0.020 . 2 . . . . 68 LEU HB2 . 16712 1 825 . 1 1 68 68 LEU HB3 H 1 1.417 0.020 . 2 . . . . 68 LEU HB3 . 16712 1 826 . 1 1 68 68 LEU HD11 H 1 0.817 0.020 . 1 . . . . 68 LEU HD1 . 16712 1 827 . 1 1 68 68 LEU HD12 H 1 0.817 0.020 . 1 . . . . 68 LEU HD1 . 16712 1 828 . 1 1 68 68 LEU HD13 H 1 0.817 0.020 . 1 . . . . 68 LEU HD1 . 16712 1 829 . 1 1 68 68 LEU HD21 H 1 0.847 0.020 . 1 . . . . 68 LEU HD2 . 16712 1 830 . 1 1 68 68 LEU HD22 H 1 0.847 0.020 . 1 . . . . 68 LEU HD2 . 16712 1 831 . 1 1 68 68 LEU HD23 H 1 0.847 0.020 . 1 . . . . 68 LEU HD2 . 16712 1 832 . 1 1 68 68 LEU HG H 1 1.500 0.020 . 1 . . . . 68 LEU HG . 16712 1 833 . 1 1 68 68 LEU C C 13 174.364 0.3 . 1 . . . . 68 LEU C . 16712 1 834 . 1 1 68 68 LEU CA C 13 52.461 0.3 . 1 . . . . 68 LEU CA . 16712 1 835 . 1 1 68 68 LEU CB C 13 40.496 0.3 . 1 . . . . 68 LEU CB . 16712 1 836 . 1 1 68 68 LEU CD1 C 13 24.131 0.3 . 1 . . . . 68 LEU CD1 . 16712 1 837 . 1 1 68 68 LEU CD2 C 13 20.690 0.3 . 1 . . . . 68 LEU CD2 . 16712 1 838 . 1 1 68 68 LEU CG C 13 27.459 0.3 . 1 . . . . 68 LEU CG . 16712 1 839 . 1 1 68 68 LEU N N 15 116.509 0.3 . 1 . . . . 68 LEU N . 16712 1 840 . 1 1 69 69 GLY H H 1 7.527 0.020 . 1 . . . . 69 GLY H . 16712 1 841 . 1 1 69 69 GLY HA2 H 1 3.917 0.020 . 2 . . . . 69 GLY HA2 . 16712 1 842 . 1 1 69 69 GLY HA3 H 1 3.654 0.020 . 2 . . . . 69 GLY HA3 . 16712 1 843 . 1 1 69 69 GLY C C 13 170.950 0.3 . 1 . . . . 69 GLY C . 16712 1 844 . 1 1 69 69 GLY CA C 13 43.755 0.3 . 1 . . . . 69 GLY CA . 16712 1 845 . 1 1 69 69 GLY N N 15 107.278 0.3 . 1 . . . . 69 GLY N . 16712 1 846 . 1 1 70 70 PHE H H 1 7.490 0.020 . 1 . . . . 70 PHE H . 16712 1 847 . 1 1 70 70 PHE HA H 1 4.892 0.020 . 1 . . . . 70 PHE HA . 16712 1 848 . 1 1 70 70 PHE HB2 H 1 2.825 0.020 . 2 . . . . 70 PHE HB2 . 16712 1 849 . 1 1 70 70 PHE HB3 H 1 2.565 0.020 . 2 . . . . 70 PHE HB3 . 16712 1 850 . 1 1 70 70 PHE HD1 H 1 6.690 0.020 . 1 . . . . 70 PHE HD1 . 16712 1 851 . 1 1 70 70 PHE HD2 H 1 6.690 0.020 . 1 . . . . 70 PHE HD2 . 16712 1 852 . 1 1 70 70 PHE HE1 H 1 6.324 0.020 . 1 . . . . 70 PHE HE1 . 16712 1 853 . 1 1 70 70 PHE HE2 H 1 6.324 0.020 . 1 . . . . 70 PHE HE2 . 16712 1 854 . 1 1 70 70 PHE HZ H 1 4.763 0.020 . 1 . . . . 70 PHE HZ . 16712 1 855 . 1 1 70 70 PHE C C 13 170.199 0.3 . 1 . . . . 70 PHE C . 16712 1 856 . 1 1 70 70 PHE CA C 13 52.681 0.3 . 1 . . . . 70 PHE CA . 16712 1 857 . 1 1 70 70 PHE CB C 13 38.384 0.3 . 1 . . . . 70 PHE CB . 16712 1 858 . 1 1 70 70 PHE CD1 C 13 130.050 0.3 . 1 . . . . 70 PHE CD1 . 16712 1 859 . 1 1 70 70 PHE CE1 C 13 126.682 0.3 . 1 . . . . 70 PHE CE1 . 16712 1 860 . 1 1 70 70 PHE N N 15 115.513 0.3 . 1 . . . . 70 PHE N . 16712 1 861 . 1 1 71 71 GLU H H 1 8.459 0.020 . 1 . . . . 71 GLU H . 16712 1 862 . 1 1 71 71 GLU HA H 1 4.294 0.020 . 1 . . . . 71 GLU HA . 16712 1 863 . 1 1 71 71 GLU HB2 H 1 1.803 0.020 . 2 . . . . 71 GLU HB2 . 16712 1 864 . 1 1 71 71 GLU HB3 H 1 1.682 0.020 . 2 . . . . 71 GLU HB3 . 16712 1 865 . 1 1 71 71 GLU HG2 H 1 1.899 0.020 . 2 . . . . 71 GLU HG2 . 16712 1 866 . 1 1 71 71 GLU HG3 H 1 1.953 0.020 . 2 . . . . 71 GLU HG3 . 16712 1 867 . 1 1 71 71 GLU C C 13 172.412 0.3 . 1 . . . . 71 GLU C . 16712 1 868 . 1 1 71 71 GLU CA C 13 52.989 0.3 . 1 . . . . 71 GLU CA . 16712 1 869 . 1 1 71 71 GLU CB C 13 29.937 0.3 . 1 . . . . 71 GLU CB . 16712 1 870 . 1 1 71 71 GLU CD C 13 181.081 0.3 . 1 . . . . 71 GLU CD . 16712 1 871 . 1 1 71 71 GLU CG C 13 32.833 0.3 . 1 . . . . 71 GLU CG . 16712 1 872 . 1 1 71 71 GLU N N 15 115.181 0.3 . 1 . . . . 71 GLU N . 16712 1 873 . 1 1 72 72 ARG H H 1 7.621 0.020 . 1 . . . . 72 ARG H . 16712 1 874 . 1 1 72 72 ARG HA H 1 4.531 0.020 . 1 . . . . 72 ARG HA . 16712 1 875 . 1 1 72 72 ARG HB2 H 1 1.657 0.020 . 2 . . . . 72 ARG HB2 . 16712 1 876 . 1 1 72 72 ARG HB3 H 1 1.488 0.020 . 2 . . . . 72 ARG HB3 . 16712 1 877 . 1 1 72 72 ARG HD2 H 1 2.978 0.020 . 1 . . . . 72 ARG HD2 . 16712 1 878 . 1 1 72 72 ARG HD3 H 1 2.978 0.020 . 1 . . . . 72 ARG HD3 . 16712 1 879 . 1 1 72 72 ARG HE H 1 7.004 0.020 . 1 . . . . 72 ARG HE . 16712 1 880 . 1 1 72 72 ARG HG2 H 1 1.420 0.020 . 1 . . . . 72 ARG HG2 . 16712 1 881 . 1 1 72 72 ARG HG3 H 1 1.420 0.020 . 1 . . . . 72 ARG HG3 . 16712 1 882 . 1 1 72 72 ARG C C 13 172.000 0.3 . 1 . . . . 72 ARG C . 16712 1 883 . 1 1 72 72 ARG CA C 13 52.065 0.3 . 1 . . . . 72 ARG CA . 16712 1 884 . 1 1 72 72 ARG CB C 13 30.215 0.3 . 1 . . . . 72 ARG CB . 16712 1 885 . 1 1 72 72 ARG CD C 13 40.346 0.3 . 1 . . . . 72 ARG CD . 16712 1 886 . 1 1 72 72 ARG CG C 13 23.967 0.3 . 1 . . . . 72 ARG CG . 16712 1 887 . 1 1 72 72 ARG N N 15 119.299 0.3 . 1 . . . . 72 ARG N . 16712 1 888 . 1 1 72 72 ARG NE N 15 83.260 0.3 . 1 . . . . 72 ARG NE . 16712 1 889 . 1 1 73 73 VAL H H 1 8.149 0.020 . 1 . . . . 73 VAL H . 16712 1 890 . 1 1 73 73 VAL HA H 1 4.314 0.020 . 1 . . . . 73 VAL HA . 16712 1 891 . 1 1 73 73 VAL HB H 1 2.089 0.020 . 1 . . . . 73 VAL HB . 16712 1 892 . 1 1 73 73 VAL HG11 H 1 0.758 0.020 . 1 . . . . 73 VAL HG1 . 16712 1 893 . 1 1 73 73 VAL HG12 H 1 0.758 0.020 . 1 . . . . 73 VAL HG1 . 16712 1 894 . 1 1 73 73 VAL HG13 H 1 0.758 0.020 . 1 . . . . 73 VAL HG1 . 16712 1 895 . 1 1 73 73 VAL HG21 H 1 0.702 0.020 . 1 . . . . 73 VAL HG2 . 16712 1 896 . 1 1 73 73 VAL HG22 H 1 0.702 0.020 . 1 . . . . 73 VAL HG2 . 16712 1 897 . 1 1 73 73 VAL HG23 H 1 0.702 0.020 . 1 . . . . 73 VAL HG2 . 16712 1 898 . 1 1 73 73 VAL C C 13 170.123 0.3 . 1 . . . . 73 VAL C . 16712 1 899 . 1 1 73 73 VAL CA C 13 55.495 0.3 . 1 . . . . 73 VAL CA . 16712 1 900 . 1 1 73 73 VAL CB C 13 30.729 0.3 . 1 . . . . 73 VAL CB . 16712 1 901 . 1 1 73 73 VAL CG1 C 13 20.426 0.3 . 1 . . . . 73 VAL CG1 . 16712 1 902 . 1 1 73 73 VAL CG2 C 13 14.963 0.3 . 1 . . . . 73 VAL CG2 . 16712 1 903 . 1 1 73 73 VAL N N 15 112.525 0.3 . 1 . . . . 73 VAL N . 16712 1 904 . 1 1 74 74 PRO HA H 1 4.931 0.020 . 1 . . . . 74 PRO HA . 16712 1 905 . 1 1 74 74 PRO HB2 H 1 2.476 0.020 . 2 . . . . 74 PRO HB2 . 16712 1 906 . 1 1 74 74 PRO HB3 H 1 2.350 0.020 . 2 . . . . 74 PRO HB3 . 16712 1 907 . 1 1 74 74 PRO HD2 H 1 3.814 0.020 . 2 . . . . 74 PRO HD2 . 16712 1 908 . 1 1 74 74 PRO HD3 H 1 3.234 0.020 . 2 . . . . 74 PRO HD3 . 16712 1 909 . 1 1 74 74 PRO HG2 H 1 2.047 0.020 . 2 . . . . 74 PRO HG2 . 16712 1 910 . 1 1 74 74 PRO HG3 H 1 1.653 0.020 . 2 . . . . 74 PRO HG3 . 16712 1 911 . 1 1 74 74 PRO C C 13 172.605 0.3 . 1 . . . . 74 PRO C . 16712 1 912 . 1 1 74 74 PRO CA C 13 59.276 0.3 . 1 . . . . 74 PRO CA . 16712 1 913 . 1 1 74 74 PRO CB C 13 33.280 0.3 . 1 . . . . 74 PRO CB . 16712 1 914 . 1 1 74 74 PRO CD C 13 48.297 0.3 . 1 . . . . 74 PRO CD . 16712 1 915 . 1 1 74 74 PRO CG C 13 21.194 0.3 . 1 . . . . 74 PRO CG . 16712 1 916 . 1 1 75 75 THR H H 1 8.123 0.020 . 1 . . . . 75 THR H . 16712 1 917 . 1 1 75 75 THR HA H 1 5.069 0.020 . 1 . . . . 75 THR HA . 16712 1 918 . 1 1 75 75 THR HB H 1 3.054 0.020 . 1 . . . . 75 THR HB . 16712 1 919 . 1 1 75 75 THR HG21 H 1 -0.473 0.020 . 1 . . . . 75 THR HG2 . 16712 1 920 . 1 1 75 75 THR HG22 H 1 -0.473 0.020 . 1 . . . . 75 THR HG2 . 16712 1 921 . 1 1 75 75 THR HG23 H 1 -0.473 0.020 . 1 . . . . 75 THR HG2 . 16712 1 922 . 1 1 75 75 THR C C 13 169.113 0.3 . 1 . . . . 75 THR C . 16712 1 923 . 1 1 75 75 THR CA C 13 59.694 0.3 . 1 . . . . 75 THR CA . 16712 1 924 . 1 1 75 75 THR CB C 13 72.085 0.3 . 1 . . . . 75 THR CB . 16712 1 925 . 1 1 75 75 THR CG2 C 13 18.264 0.3 . 1 . . . . 75 THR CG2 . 16712 1 926 . 1 1 75 75 THR N N 15 118.967 0.3 . 1 . . . . 75 THR N . 16712 1 927 . 1 1 76 76 LEU H H 1 9.368 0.020 . 1 . . . . 76 LEU H . 16712 1 928 . 1 1 76 76 LEU HA H 1 4.964 0.020 . 1 . . . . 76 LEU HA . 16712 1 929 . 1 1 76 76 LEU HB2 H 1 1.711 0.020 . 2 . . . . 76 LEU HB2 . 16712 1 930 . 1 1 76 76 LEU HB3 H 1 0.662 0.020 . 2 . . . . 76 LEU HB3 . 16712 1 931 . 1 1 76 76 LEU HD11 H 1 1.855 0.020 . 1 . . . . 76 LEU HD1 . 16712 1 932 . 1 1 76 76 LEU HD12 H 1 1.855 0.020 . 1 . . . . 76 LEU HD1 . 16712 1 933 . 1 1 76 76 LEU HD13 H 1 1.855 0.020 . 1 . . . . 76 LEU HD1 . 16712 1 934 . 1 1 76 76 LEU HD21 H 1 0.601 0.020 . 1 . . . . 76 LEU HD2 . 16712 1 935 . 1 1 76 76 LEU HD22 H 1 0.601 0.020 . 1 . . . . 76 LEU HD2 . 16712 1 936 . 1 1 76 76 LEU HD23 H 1 0.601 0.020 . 1 . . . . 76 LEU HD2 . 16712 1 937 . 1 1 76 76 LEU HG H 1 0.623 0.020 . 1 . . . . 76 LEU HG . 16712 1 938 . 1 1 76 76 LEU C C 13 171.629 0.3 . 1 . . . . 76 LEU C . 16712 1 939 . 1 1 76 76 LEU CA C 13 50.592 0.3 . 1 . . . . 76 LEU CA . 16712 1 940 . 1 1 76 76 LEU CB C 13 41.992 0.3 . 1 . . . . 76 LEU CB . 16712 1 941 . 1 1 76 76 LEU CD1 C 13 23.315 0.3 . 1 . . . . 76 LEU CD1 . 16712 1 942 . 1 1 76 76 LEU CD2 C 13 21.150 0.3 . 1 . . . . 76 LEU CD2 . 16712 1 943 . 1 1 76 76 LEU CG C 13 23.633 0.3 . 1 . . . . 76 LEU CG . 16712 1 944 . 1 1 76 76 LEU N N 15 126.007 0.3 . 1 . . . . 76 LEU N . 16712 1 945 . 1 1 77 77 VAL H H 1 8.970 0.020 . 1 . . . . 77 VAL H . 16712 1 946 . 1 1 77 77 VAL HA H 1 4.450 0.020 . 1 . . . . 77 VAL HA . 16712 1 947 . 1 1 77 77 VAL HB H 1 1.904 0.020 . 1 . . . . 77 VAL HB . 16712 1 948 . 1 1 77 77 VAL HG11 H 1 0.711 0.020 . 1 . . . . 77 VAL HG1 . 16712 1 949 . 1 1 77 77 VAL HG12 H 1 0.711 0.020 . 1 . . . . 77 VAL HG1 . 16712 1 950 . 1 1 77 77 VAL HG13 H 1 0.711 0.020 . 1 . . . . 77 VAL HG1 . 16712 1 951 . 1 1 77 77 VAL HG21 H 1 0.634 0.020 . 1 . . . . 77 VAL HG2 . 16712 1 952 . 1 1 77 77 VAL HG22 H 1 0.634 0.020 . 1 . . . . 77 VAL HG2 . 16712 1 953 . 1 1 77 77 VAL HG23 H 1 0.634 0.020 . 1 . . . . 77 VAL HG2 . 16712 1 954 . 1 1 77 77 VAL C C 13 171.849 0.3 . 1 . . . . 77 VAL C . 16712 1 955 . 1 1 77 77 VAL CA C 13 58.573 0.3 . 1 . . . . 77 VAL CA . 16712 1 956 . 1 1 77 77 VAL CB C 13 30.641 0.3 . 1 . . . . 77 VAL CB . 16712 1 957 . 1 1 77 77 VAL CG1 C 13 19.857 0.3 . 1 . . . . 77 VAL CG1 . 16712 1 958 . 1 1 77 77 VAL CG2 C 13 19.174 0.3 . 1 . . . . 77 VAL CG2 . 16712 1 959 . 1 1 77 77 VAL N N 15 123.217 0.3 . 1 . . . . 77 VAL N . 16712 1 960 . 1 1 78 78 PHE H H 1 9.192 0.020 . 1 . . . . 78 PHE H . 16712 1 961 . 1 1 78 78 PHE HA H 1 4.808 0.020 . 1 . . . . 78 PHE HA . 16712 1 962 . 1 1 78 78 PHE HB2 H 1 2.900 0.020 . 2 . . . . 78 PHE HB2 . 16712 1 963 . 1 1 78 78 PHE HB3 H 1 2.670 0.020 . 2 . . . . 78 PHE HB3 . 16712 1 964 . 1 1 78 78 PHE HD1 H 1 7.098 0.020 . 1 . . . . 78 PHE HD1 . 16712 1 965 . 1 1 78 78 PHE HD2 H 1 7.098 0.020 . 1 . . . . 78 PHE HD2 . 16712 1 966 . 1 1 78 78 PHE HE1 H 1 7.323 0.020 . 1 . . . . 78 PHE HE1 . 16712 1 967 . 1 1 78 78 PHE HE2 H 1 7.323 0.020 . 1 . . . . 78 PHE HE2 . 16712 1 968 . 1 1 78 78 PHE C C 13 172.137 0.3 . 1 . . . . 78 PHE C . 16712 1 969 . 1 1 78 78 PHE CA C 13 54.110 0.3 . 1 . . . . 78 PHE CA . 16712 1 970 . 1 1 78 78 PHE CB C 13 36.976 0.3 . 1 . . . . 78 PHE CB . 16712 1 971 . 1 1 78 78 PHE CD1 C 13 129.957 0.3 . 1 . . . . 78 PHE CD1 . 16712 1 972 . 1 1 78 78 PHE N N 15 126.140 0.3 . 1 . . . . 78 PHE N . 16712 1 973 . 1 1 79 79 ILE H H 1 9.016 0.020 . 1 . . . . 79 ILE H . 16712 1 974 . 1 1 79 79 ILE HA H 1 4.610 0.020 . 1 . . . . 79 ILE HA . 16712 1 975 . 1 1 79 79 ILE HB H 1 1.473 0.020 . 1 . . . . 79 ILE HB . 16712 1 976 . 1 1 79 79 ILE HD11 H 1 0.003 0.020 . 1 . . . . 79 ILE HD1 . 16712 1 977 . 1 1 79 79 ILE HD12 H 1 0.003 0.020 . 1 . . . . 79 ILE HD1 . 16712 1 978 . 1 1 79 79 ILE HD13 H 1 0.003 0.020 . 1 . . . . 79 ILE HD1 . 16712 1 979 . 1 1 79 79 ILE HG12 H 1 0.823 0.020 . 2 . . . . 79 ILE HG12 . 16712 1 980 . 1 1 79 79 ILE HG13 H 1 0.732 0.020 . 2 . . . . 79 ILE HG13 . 16712 1 981 . 1 1 79 79 ILE HG21 H 1 0.654 0.020 . 1 . . . . 79 ILE HG2 . 16712 1 982 . 1 1 79 79 ILE HG22 H 1 0.654 0.020 . 1 . . . . 79 ILE HG2 . 16712 1 983 . 1 1 79 79 ILE HG23 H 1 0.654 0.020 . 1 . . . . 79 ILE HG2 . 16712 1 984 . 1 1 79 79 ILE C C 13 172.066 0.3 . 1 . . . . 79 ILE C . 16712 1 985 . 1 1 79 79 ILE CA C 13 55.730 0.3 . 1 . . . . 79 ILE CA . 16712 1 986 . 1 1 79 79 ILE CB C 13 35.920 0.3 . 1 . . . . 79 ILE CB . 16712 1 987 . 1 1 79 79 ILE CD1 C 13 9.234 0.3 . 1 . . . . 79 ILE CD1 . 16712 1 988 . 1 1 79 79 ILE CG1 C 13 24.518 0.3 . 1 . . . . 79 ILE CG1 . 16712 1 989 . 1 1 79 79 ILE CG2 C 13 14.791 0.3 . 1 . . . . 79 ILE CG2 . 16712 1 990 . 1 1 79 79 ILE N N 15 125.475 0.3 . 1 . . . . 79 ILE N . 16712 1 991 . 1 1 80 80 ARG H H 1 8.688 0.020 . 1 . . . . 80 ARG H . 16712 1 992 . 1 1 80 80 ARG HA H 1 4.877 0.020 . 1 . . . . 80 ARG HA . 16712 1 993 . 1 1 80 80 ARG HB2 H 1 1.498 0.020 . 2 . . . . 80 ARG HB2 . 16712 1 994 . 1 1 80 80 ARG HB3 H 1 1.181 0.020 . 2 . . . . 80 ARG HB3 . 16712 1 995 . 1 1 80 80 ARG HD2 H 1 2.842 0.020 . 2 . . . . 80 ARG HD2 . 16712 1 996 . 1 1 80 80 ARG HD3 H 1 2.750 0.020 . 2 . . . . 80 ARG HD3 . 16712 1 997 . 1 1 80 80 ARG HE H 1 7.020 0.020 . 1 . . . . 80 ARG HE . 16712 1 998 . 1 1 80 80 ARG HG2 H 1 1.378 0.020 . 2 . . . . 80 ARG HG2 . 16712 1 999 . 1 1 80 80 ARG HG3 H 1 1.204 0.020 . 2 . . . . 80 ARG HG3 . 16712 1 1000 . 1 1 80 80 ARG C C 13 173.127 0.3 . 1 . . . . 80 ARG C . 16712 1 1001 . 1 1 80 80 ARG CA C 13 50.462 0.3 . 1 . . . . 80 ARG CA . 16712 1 1002 . 1 1 80 80 ARG CB C 13 29.819 0.3 . 1 . . . . 80 ARG CB . 16712 1 1003 . 1 1 80 80 ARG CD C 13 39.757 0.3 . 1 . . . . 80 ARG CD . 16712 1 1004 . 1 1 80 80 ARG CG C 13 23.825 0.3 . 1 . . . . 80 ARG CG . 16712 1 1005 . 1 1 80 80 ARG N N 15 126.206 0.3 . 1 . . . . 80 ARG N . 16712 1 1006 . 1 1 80 80 ARG NE N 15 83.210 0.3 . 1 . . . . 80 ARG NE . 16712 1 1007 . 1 1 81 81 ASP H H 1 9.850 0.020 . 1 . . . . 81 ASP H . 16712 1 1008 . 1 1 81 81 ASP HA H 1 4.263 0.020 . 1 . . . . 81 ASP HA . 16712 1 1009 . 1 1 81 81 ASP HB2 H 1 2.776 0.020 . 2 . . . . 81 ASP HB2 . 16712 1 1010 . 1 1 81 81 ASP HB3 H 1 2.568 0.020 . 2 . . . . 81 ASP HB3 . 16712 1 1011 . 1 1 81 81 ASP C C 13 173.155 0.3 . 1 . . . . 81 ASP C . 16712 1 1012 . 1 1 81 81 ASP CA C 13 52.901 0.3 . 1 . . . . 81 ASP CA . 16712 1 1013 . 1 1 81 81 ASP CB C 13 36.624 0.3 . 1 . . . . 81 ASP CB . 16712 1 1014 . 1 1 81 81 ASP CG C 13 178.325 0.3 . 1 . . . . 81 ASP CG . 16712 1 1015 . 1 1 81 81 ASP N N 15 128.663 0.3 . 1 . . . . 81 ASP N . 16712 1 1016 . 1 1 82 82 GLY H H 1 7.940 0.020 . 1 . . . . 82 GLY H . 16712 1 1017 . 1 1 82 82 GLY HA2 H 1 4.104 0.020 . 2 . . . . 82 GLY HA2 . 16712 1 1018 . 1 1 82 82 GLY HA3 H 1 3.834 0.020 . 2 . . . . 82 GLY HA3 . 16712 1 1019 . 1 1 82 82 GLY C C 13 170.474 0.3 . 1 . . . . 82 GLY C . 16712 1 1020 . 1 1 82 82 GLY CA C 13 43.755 0.3 . 1 . . . . 82 GLY CA . 16712 1 1021 . 1 1 82 82 GLY N N 15 103.027 0.3 . 1 . . . . 82 GLY N . 16712 1 1022 . 1 1 83 83 LYS H H 1 7.374 0.020 . 1 . . . . 83 LYS H . 16712 1 1023 . 1 1 83 83 LYS HA H 1 4.516 0.020 . 1 . . . . 83 LYS HA . 16712 1 1024 . 1 1 83 83 LYS HB2 H 1 1.572 0.020 . 1 . . . . 83 LYS HB2 . 16712 1 1025 . 1 1 83 83 LYS HB3 H 1 1.572 0.020 . 1 . . . . 83 LYS HB3 . 16712 1 1026 . 1 1 83 83 LYS HD2 H 1 1.559 0.020 . 2 . . . . 83 LYS HD2 . 16712 1 1027 . 1 1 83 83 LYS HD3 H 1 1.483 0.020 . 2 . . . . 83 LYS HD3 . 16712 1 1028 . 1 1 83 83 LYS HE2 H 1 2.862 0.020 . 1 . . . . 83 LYS HE2 . 16712 1 1029 . 1 1 83 83 LYS HE3 H 1 2.862 0.020 . 1 . . . . 83 LYS HE3 . 16712 1 1030 . 1 1 83 83 LYS HG2 H 1 1.249 0.020 . 1 . . . . 83 LYS HG2 . 16712 1 1031 . 1 1 83 83 LYS HG3 H 1 1.249 0.020 . 1 . . . . 83 LYS HG3 . 16712 1 1032 . 1 1 83 83 LYS C C 13 172.935 0.3 . 1 . . . . 83 LYS C . 16712 1 1033 . 1 1 83 83 LYS CA C 13 50.482 0.3 . 1 . . . . 83 LYS CA . 16712 1 1034 . 1 1 83 83 LYS CB C 13 32.489 0.3 . 1 . . . . 83 LYS CB . 16712 1 1035 . 1 1 83 83 LYS CD C 13 25.549 0.3 . 1 . . . . 83 LYS CD . 16712 1 1036 . 1 1 83 83 LYS CE C 13 39.208 0.3 . 1 . . . . 83 LYS CE . 16712 1 1037 . 1 1 83 83 LYS CG C 13 21.565 0.3 . 1 . . . . 83 LYS CG . 16712 1 1038 . 1 1 83 83 LYS N N 15 117.506 0.3 . 1 . . . . 83 LYS N . 16712 1 1039 . 1 1 84 84 VAL H H 1 8.759 0.020 . 1 . . . . 84 VAL H . 16712 1 1040 . 1 1 84 84 VAL HA H 1 3.622 0.020 . 1 . . . . 84 VAL HA . 16712 1 1041 . 1 1 84 84 VAL HB H 1 1.851 0.020 . 1 . . . . 84 VAL HB . 16712 1 1042 . 1 1 84 84 VAL HG11 H 1 0.685 0.020 . 1 . . . . 84 VAL HG1 . 16712 1 1043 . 1 1 84 84 VAL HG12 H 1 0.685 0.020 . 1 . . . . 84 VAL HG1 . 16712 1 1044 . 1 1 84 84 VAL HG13 H 1 0.685 0.020 . 1 . . . . 84 VAL HG1 . 16712 1 1045 . 1 1 84 84 VAL HG21 H 1 0.635 0.020 . 1 . . . . 84 VAL HG2 . 16712 1 1046 . 1 1 84 84 VAL HG22 H 1 0.635 0.020 . 1 . . . . 84 VAL HG2 . 16712 1 1047 . 1 1 84 84 VAL HG23 H 1 0.635 0.020 . 1 . . . . 84 VAL HG2 . 16712 1 1048 . 1 1 84 84 VAL C C 13 172.935 0.3 . 1 . . . . 84 VAL C . 16712 1 1049 . 1 1 84 84 VAL CA C 13 61.431 0.3 . 1 . . . . 84 VAL CA . 16712 1 1050 . 1 1 84 84 VAL CB C 13 27.913 0.3 . 1 . . . . 84 VAL CB . 16712 1 1051 . 1 1 84 84 VAL CG1 C 13 18.405 0.3 . 1 . . . . 84 VAL CG1 . 16712 1 1052 . 1 1 84 84 VAL CG2 C 13 18.036 0.3 . 1 . . . . 84 VAL CG2 . 16712 1 1053 . 1 1 84 84 VAL N N 15 122.487 0.3 . 1 . . . . 84 VAL N . 16712 1 1054 . 1 1 85 85 ALA H H 1 9.179 0.020 . 1 . . . . 85 ALA H . 16712 1 1055 . 1 1 85 85 ALA HA H 1 4.322 0.020 . 1 . . . . 85 ALA HA . 16712 1 1056 . 1 1 85 85 ALA HB1 H 1 1.094 0.020 . 1 . . . . 85 ALA HB . 16712 1 1057 . 1 1 85 85 ALA HB2 H 1 1.094 0.020 . 1 . . . . 85 ALA HB . 16712 1 1058 . 1 1 85 85 ALA HB3 H 1 1.094 0.020 . 1 . . . . 85 ALA HB . 16712 1 1059 . 1 1 85 85 ALA C C 13 174.609 0.3 . 1 . . . . 85 ALA C . 16712 1 1060 . 1 1 85 85 ALA CA C 13 49.603 0.3 . 1 . . . . 85 ALA CA . 16712 1 1061 . 1 1 85 85 ALA CB C 13 18.234 0.3 . 1 . . . . 85 ALA CB . 16712 1 1062 . 1 1 85 85 ALA N N 15 133.512 0.3 . 1 . . . . 85 ALA N . 16712 1 1063 . 1 1 86 86 LYS H H 1 7.338 0.020 . 1 . . . . 86 LYS H . 16712 1 1064 . 1 1 86 86 LYS HA H 1 4.326 0.020 . 1 . . . . 86 LYS HA . 16712 1 1065 . 1 1 86 86 LYS HB2 H 1 1.585 0.020 . 2 . . . . 86 LYS HB2 . 16712 1 1066 . 1 1 86 86 LYS HB3 H 1 1.264 0.020 . 2 . . . . 86 LYS HB3 . 16712 1 1067 . 1 1 86 86 LYS HD2 H 1 1.489 0.020 . 1 . . . . 86 LYS HD2 . 16712 1 1068 . 1 1 86 86 LYS HD3 H 1 1.489 0.020 . 1 . . . . 86 LYS HD3 . 16712 1 1069 . 1 1 86 86 LYS HE2 H 1 2.868 0.020 . 1 . . . . 86 LYS HE2 . 16712 1 1070 . 1 1 86 86 LYS HE3 H 1 2.868 0.020 . 1 . . . . 86 LYS HE3 . 16712 1 1071 . 1 1 86 86 LYS HG2 H 1 1.091 0.020 . 2 . . . . 86 LYS HG2 . 16712 1 1072 . 1 1 86 86 LYS HG3 H 1 0.960 0.020 . 2 . . . . 86 LYS HG3 . 16712 1 1073 . 1 1 86 86 LYS C C 13 170.158 0.3 . 1 . . . . 86 LYS C . 16712 1 1074 . 1 1 86 86 LYS CA C 13 52.549 0.3 . 1 . . . . 86 LYS CA . 16712 1 1075 . 1 1 86 86 LYS CB C 13 32.049 0.3 . 1 . . . . 86 LYS CB . 16712 1 1076 . 1 1 86 86 LYS CD C 13 25.009 0.3 . 1 . . . . 86 LYS CD . 16712 1 1077 . 1 1 86 86 LYS CE C 13 39.102 0.3 . 1 . . . . 86 LYS CE . 16712 1 1078 . 1 1 86 86 LYS CG C 13 21.678 0.3 . 1 . . . . 86 LYS CG . 16712 1 1079 . 1 1 86 86 LYS N N 15 115.513 0.3 . 1 . . . . 86 LYS N . 16712 1 1080 . 1 1 87 87 VAL H H 1 8.605 0.020 . 1 . . . . 87 VAL H . 16712 1 1081 . 1 1 87 87 VAL HA H 1 4.613 0.020 . 1 . . . . 87 VAL HA . 16712 1 1082 . 1 1 87 87 VAL HB H 1 1.769 0.020 . 1 . . . . 87 VAL HB . 16712 1 1083 . 1 1 87 87 VAL HG11 H 1 0.367 0.020 . 1 . . . . 87 VAL HG1 . 16712 1 1084 . 1 1 87 87 VAL HG12 H 1 0.367 0.020 . 1 . . . . 87 VAL HG1 . 16712 1 1085 . 1 1 87 87 VAL HG13 H 1 0.367 0.020 . 1 . . . . 87 VAL HG1 . 16712 1 1086 . 1 1 87 87 VAL HG21 H 1 0.798 0.020 . 1 . . . . 87 VAL HG2 . 16712 1 1087 . 1 1 87 87 VAL HG22 H 1 0.798 0.020 . 1 . . . . 87 VAL HG2 . 16712 1 1088 . 1 1 87 87 VAL HG23 H 1 0.798 0.020 . 1 . . . . 87 VAL HG2 . 16712 1 1089 . 1 1 87 87 VAL C C 13 171.931 0.3 . 1 . . . . 87 VAL C . 16712 1 1090 . 1 1 87 87 VAL CA C 13 59.078 0.3 . 1 . . . . 87 VAL CA . 16712 1 1091 . 1 1 87 87 VAL CB C 13 30.993 0.3 . 1 . . . . 87 VAL CB . 16712 1 1092 . 1 1 87 87 VAL CG1 C 13 18.728 0.3 . 1 . . . . 87 VAL CG1 . 16712 1 1093 . 1 1 87 87 VAL CG2 C 13 18.104 0.3 . 1 . . . . 87 VAL CG2 . 16712 1 1094 . 1 1 87 87 VAL N N 15 127.003 0.3 . 1 . . . . 87 VAL N . 16712 1 1095 . 1 1 88 88 PHE H H 1 9.240 0.020 . 1 . . . . 88 PHE H . 16712 1 1096 . 1 1 88 88 PHE HA H 1 4.632 0.020 . 1 . . . . 88 PHE HA . 16712 1 1097 . 1 1 88 88 PHE HB2 H 1 2.813 0.020 . 2 . . . . 88 PHE HB2 . 16712 1 1098 . 1 1 88 88 PHE HB3 H 1 2.547 0.020 . 2 . . . . 88 PHE HB3 . 16712 1 1099 . 1 1 88 88 PHE HD1 H 1 6.859 0.020 . 1 . . . . 88 PHE HD1 . 16712 1 1100 . 1 1 88 88 PHE HD2 H 1 6.859 0.020 . 1 . . . . 88 PHE HD2 . 16712 1 1101 . 1 1 88 88 PHE HE1 H 1 7.009 0.020 . 1 . . . . 88 PHE HE1 . 16712 1 1102 . 1 1 88 88 PHE HE2 H 1 7.009 0.020 . 1 . . . . 88 PHE HE2 . 16712 1 1103 . 1 1 88 88 PHE C C 13 170.777 0.3 . 1 . . . . 88 PHE C . 16712 1 1104 . 1 1 88 88 PHE CA C 13 54.444 0.3 . 1 . . . . 88 PHE CA . 16712 1 1105 . 1 1 88 88 PHE CB C 13 40.630 0.3 . 1 . . . . 88 PHE CB . 16712 1 1106 . 1 1 88 88 PHE CD1 C 13 128.325 0.3 . 1 . . . . 88 PHE CD1 . 16712 1 1107 . 1 1 88 88 PHE N N 15 127.468 0.3 . 1 . . . . 88 PHE N . 16712 1 1108 . 1 1 89 89 SER H H 1 8.302 0.020 . 1 . . . . 89 SER H . 16712 1 1109 . 1 1 89 89 SER HA H 1 4.878 0.020 . 1 . . . . 89 SER HA . 16712 1 1110 . 1 1 89 89 SER HB2 H 1 3.346 0.020 . 2 . . . . 89 SER HB2 . 16712 1 1111 . 1 1 89 89 SER HB3 H 1 3.095 0.020 . 2 . . . . 89 SER HB3 . 16712 1 1112 . 1 1 89 89 SER C C 13 168.453 0.3 . 1 . . . . 89 SER C . 16712 1 1113 . 1 1 89 89 SER CA C 13 54.354 0.3 . 1 . . . . 89 SER CA . 16712 1 1114 . 1 1 89 89 SER CB C 13 60.727 0.3 . 1 . . . . 89 SER CB . 16712 1 1115 . 1 1 89 89 SER N N 15 126.206 0.3 . 1 . . . . 89 SER N . 16712 1 1116 . 1 1 90 90 GLY H H 1 7.596 0.020 . 1 . . . . 90 GLY H . 16712 1 1117 . 1 1 90 90 GLY HA2 H 1 4.115 0.020 . 2 . . . . 90 GLY HA2 . 16712 1 1118 . 1 1 90 90 GLY HA3 H 1 3.458 0.020 . 2 . . . . 90 GLY HA3 . 16712 1 1119 . 1 1 90 90 GLY C C 13 168.440 0.3 . 1 . . . . 90 GLY C . 16712 1 1120 . 1 1 90 90 GLY CA C 13 40.809 0.3 . 1 . . . . 90 GLY CA . 16712 1 1121 . 1 1 90 90 GLY N N 15 111.993 0.3 . 1 . . . . 90 GLY N . 16712 1 1122 . 1 1 91 91 ILE H H 1 7.976 0.020 . 1 . . . . 91 ILE H . 16712 1 1123 . 1 1 91 91 ILE HA H 1 4.537 0.020 . 1 . . . . 91 ILE HA . 16712 1 1124 . 1 1 91 91 ILE HB H 1 1.532 0.020 . 1 . . . . 91 ILE HB . 16712 1 1125 . 1 1 91 91 ILE HD11 H 1 0.501 0.020 . 1 . . . . 91 ILE HD1 . 16712 1 1126 . 1 1 91 91 ILE HD12 H 1 0.501 0.020 . 1 . . . . 91 ILE HD1 . 16712 1 1127 . 1 1 91 91 ILE HD13 H 1 0.501 0.020 . 1 . . . . 91 ILE HD1 . 16712 1 1128 . 1 1 91 91 ILE HG12 H 1 0.880 0.020 . 2 . . . . 91 ILE HG12 . 16712 1 1129 . 1 1 91 91 ILE HG13 H 1 1.146 0.020 . 2 . . . . 91 ILE HG13 . 16712 1 1130 . 1 1 91 91 ILE HG21 H 1 0.613 0.020 . 1 . . . . 91 ILE HG2 . 16712 1 1131 . 1 1 91 91 ILE HG22 H 1 0.613 0.020 . 1 . . . . 91 ILE HG2 . 16712 1 1132 . 1 1 91 91 ILE HG23 H 1 0.613 0.020 . 1 . . . . 91 ILE HG2 . 16712 1 1133 . 1 1 91 91 ILE C C 13 172.151 0.3 . 1 . . . . 91 ILE C . 16712 1 1134 . 1 1 91 91 ILE CA C 13 56.638 0.3 . 1 . . . . 91 ILE CA . 16712 1 1135 . 1 1 91 91 ILE CB C 13 37.328 0.3 . 1 . . . . 91 ILE CB . 16712 1 1136 . 1 1 91 91 ILE CD1 C 13 10.296 0.3 . 1 . . . . 91 ILE CD1 . 16712 1 1137 . 1 1 91 91 ILE CG1 C 13 23.727 0.3 . 1 . . . . 91 ILE CG1 . 16712 1 1138 . 1 1 91 91 ILE CG2 C 13 15.304 0.3 . 1 . . . . 91 ILE CG2 . 16712 1 1139 . 1 1 91 91 ILE N N 15 114.650 0.3 . 1 . . . . 91 ILE N . 16712 1 1140 . 1 1 92 92 MET H H 1 7.346 0.020 . 1 . . . . 92 MET H . 16712 1 1141 . 1 1 92 92 MET HA H 1 4.549 0.020 . 1 . . . . 92 MET HA . 16712 1 1142 . 1 1 92 92 MET HB2 H 1 1.832 0.020 . 2 . . . . 92 MET HB2 . 16712 1 1143 . 1 1 92 92 MET HB3 H 1 1.496 0.020 . 2 . . . . 92 MET HB3 . 16712 1 1144 . 1 1 92 92 MET HE1 H 1 1.241 0.020 . 1 . . . . 92 MET HE . 16712 1 1145 . 1 1 92 92 MET HE2 H 1 1.241 0.020 . 1 . . . . 92 MET HE . 16712 1 1146 . 1 1 92 92 MET HE3 H 1 1.241 0.020 . 1 . . . . 92 MET HE . 16712 1 1147 . 1 1 92 92 MET HG2 H 1 2.009 0.020 . 1 . . . . 92 MET HG2 . 16712 1 1148 . 1 1 92 92 MET HG3 H 1 2.009 0.020 . 1 . . . . 92 MET HG3 . 16712 1 1149 . 1 1 92 92 MET C C 13 171.203 0.3 . 1 . . . . 92 MET C . 16712 1 1150 . 1 1 92 92 MET CA C 13 51.758 0.3 . 1 . . . . 92 MET CA . 16712 1 1151 . 1 1 92 92 MET CB C 13 34.424 0.3 . 1 . . . . 92 MET CB . 16712 1 1152 . 1 1 92 92 MET CE C 13 14.658 0.3 . 1 . . . . 92 MET CE . 16712 1 1153 . 1 1 92 92 MET CG C 13 28.503 0.3 . 1 . . . . 92 MET CG . 16712 1 1154 . 1 1 92 92 MET N N 15 120.694 0.3 . 1 . . . . 92 MET N . 16712 1 1155 . 1 1 93 93 ASN H H 1 8.758 0.020 . 1 . . . . 93 ASN H . 16712 1 1156 . 1 1 93 93 ASN HA H 1 4.798 0.020 . 1 . . . . 93 ASN HA . 16712 1 1157 . 1 1 93 93 ASN HB2 H 1 3.154 0.020 . 2 . . . . 93 ASN HB2 . 16712 1 1158 . 1 1 93 93 ASN HB3 H 1 2.589 0.020 . 2 . . . . 93 ASN HB3 . 16712 1 1159 . 1 1 93 93 ASN HD21 H 1 7.357 0.020 . 1 . . . . 93 ASN HD21 . 16712 1 1160 . 1 1 93 93 ASN HD22 H 1 6.652 0.020 . 1 . . . . 93 ASN HD22 . 16712 1 1161 . 1 1 93 93 ASN C C 13 171.277 0.3 . 1 . . . . 93 ASN C . 16712 1 1162 . 1 1 93 93 ASN CA C 13 48.438 0.3 . 1 . . . . 93 ASN CA . 16712 1 1163 . 1 1 93 93 ASN CB C 13 34.313 0.3 . 1 . . . . 93 ASN CB . 16712 1 1164 . 1 1 93 93 ASN CG C 13 172.765 0.3 . 1 . . . . 93 ASN CG . 16712 1 1165 . 1 1 93 93 ASN N N 15 119.830 0.3 . 1 . . . . 93 ASN N . 16712 1 1166 . 1 1 93 93 ASN ND2 N 15 112.455 0.3 . 1 . . . . 93 ASN ND2 . 16712 1 1167 . 1 1 94 94 PRO HA H 1 3.886 0.020 . 1 . . . . 94 PRO HA . 16712 1 1168 . 1 1 94 94 PRO HB2 H 1 2.263 0.020 . 2 . . . . 94 PRO HB2 . 16712 1 1169 . 1 1 94 94 PRO HB3 H 1 1.839 0.020 . 2 . . . . 94 PRO HB3 . 16712 1 1170 . 1 1 94 94 PRO HD2 H 1 3.777 0.020 . 2 . . . . 94 PRO HD2 . 16712 1 1171 . 1 1 94 94 PRO HD3 H 1 3.728 0.020 . 2 . . . . 94 PRO HD3 . 16712 1 1172 . 1 1 94 94 PRO HG2 H 1 2.139 0.020 . 2 . . . . 94 PRO HG2 . 16712 1 1173 . 1 1 94 94 PRO HG3 H 1 1.862 0.020 . 2 . . . . 94 PRO HG3 . 16712 1 1174 . 1 1 94 94 PRO CA C 13 64.166 0.3 . 1 . . . . 94 PRO CA . 16712 1 1175 . 1 1 94 94 PRO CB C 13 29.145 0.3 . 1 . . . . 94 PRO CB . 16712 1 1176 . 1 1 94 94 PRO CD C 13 47.611 0.3 . 1 . . . . 94 PRO CD . 16712 1 1177 . 1 1 94 94 PRO CG C 13 25.769 0.3 . 1 . . . . 94 PRO CG . 16712 1 1178 . 1 1 95 95 ARG H H 1 7.867 0.020 . 1 . . . . 95 ARG H . 16712 1 1179 . 1 1 95 95 ARG HA H 1 3.912 0.020 . 1 . . . . 95 ARG HA . 16712 1 1180 . 1 1 95 95 ARG HB2 H 1 1.732 0.020 . 2 . . . . 95 ARG HB2 . 16712 1 1181 . 1 1 95 95 ARG HB3 H 1 1.694 0.020 . 2 . . . . 95 ARG HB3 . 16712 1 1182 . 1 1 95 95 ARG HD2 H 1 3.023 0.020 . 1 . . . . 95 ARG HD2 . 16712 1 1183 . 1 1 95 95 ARG HD3 H 1 3.023 0.020 . 1 . . . . 95 ARG HD3 . 16712 1 1184 . 1 1 95 95 ARG HE H 1 7.098 0.020 . 1 . . . . 95 ARG HE . 16712 1 1185 . 1 1 95 95 ARG HG2 H 1 1.523 0.020 . 2 . . . . 95 ARG HG2 . 16712 1 1186 . 1 1 95 95 ARG HG3 H 1 1.441 0.020 . 2 . . . . 95 ARG HG3 . 16712 1 1187 . 1 1 95 95 ARG C C 13 176.868 0.3 . 1 . . . . 95 ARG C . 16712 1 1188 . 1 1 95 95 ARG CA C 13 56.510 0.3 . 1 . . . . 95 ARG CA . 16712 1 1189 . 1 1 95 95 ARG CB C 13 26.285 0.3 . 1 . . . . 95 ARG CB . 16712 1 1190 . 1 1 95 95 ARG CD C 13 40.037 0.3 . 1 . . . . 95 ARG CD . 16712 1 1191 . 1 1 95 95 ARG CG C 13 24.156 0.3 . 1 . . . . 95 ARG CG . 16712 1 1192 . 1 1 95 95 ARG N N 15 118.968 0.3 . 1 . . . . 95 ARG N . 16712 1 1193 . 1 1 95 95 ARG NE N 15 84.340 0.3 . 1 . . . . 95 ARG NE . 16712 1 1194 . 1 1 96 96 GLU H H 1 8.254 0.020 . 1 . . . . 96 GLU H . 16712 1 1195 . 1 1 96 96 GLU HA H 1 3.720 0.020 . 1 . . . . 96 GLU HA . 16712 1 1196 . 1 1 96 96 GLU HB2 H 1 1.996 0.020 . 2 . . . . 96 GLU HB2 . 16712 1 1197 . 1 1 96 96 GLU HB3 H 1 1.567 0.020 . 2 . . . . 96 GLU HB3 . 16712 1 1198 . 1 1 96 96 GLU HG2 H 1 2.243 0.020 . 2 . . . . 96 GLU HG2 . 16712 1 1199 . 1 1 96 96 GLU HG3 H 1 1.951 0.020 . 2 . . . . 96 GLU HG3 . 16712 1 1200 . 1 1 96 96 GLU C C 13 176.756 0.3 . 1 . . . . 96 GLU C . 16712 1 1201 . 1 1 96 96 GLU CA C 13 55.671 0.3 . 1 . . . . 96 GLU CA . 16712 1 1202 . 1 1 96 96 GLU CB C 13 26.769 0.3 . 1 . . . . 96 GLU CB . 16712 1 1203 . 1 1 96 96 GLU CD C 13 180.885 0.3 . 1 . . . . 96 GLU CD . 16712 1 1204 . 1 1 96 96 GLU CG C 13 33.744 0.3 . 1 . . . . 96 GLU CG . 16712 1 1205 . 1 1 96 96 GLU N N 15 121.831 0.3 . 1 . . . . 96 GLU N . 16712 1 1206 . 1 1 97 97 LEU H H 1 8.104 0.020 . 1 . . . . 97 LEU H . 16712 1 1207 . 1 1 97 97 LEU HA H 1 3.817 0.020 . 1 . . . . 97 LEU HA . 16712 1 1208 . 1 1 97 97 LEU HB2 H 1 1.418 0.020 . 2 . . . . 97 LEU HB2 . 16712 1 1209 . 1 1 97 97 LEU HB3 H 1 0.875 0.020 . 2 . . . . 97 LEU HB3 . 16712 1 1210 . 1 1 97 97 LEU HD11 H 1 0.541 0.020 . 1 . . . . 97 LEU HD1 . 16712 1 1211 . 1 1 97 97 LEU HD12 H 1 0.541 0.020 . 1 . . . . 97 LEU HD1 . 16712 1 1212 . 1 1 97 97 LEU HD13 H 1 0.541 0.020 . 1 . . . . 97 LEU HD1 . 16712 1 1213 . 1 1 97 97 LEU HD21 H 1 0.435 0.020 . 1 . . . . 97 LEU HD2 . 16712 1 1214 . 1 1 97 97 LEU HD22 H 1 0.435 0.020 . 1 . . . . 97 LEU HD2 . 16712 1 1215 . 1 1 97 97 LEU HD23 H 1 0.435 0.020 . 1 . . . . 97 LEU HD2 . 16712 1 1216 . 1 1 97 97 LEU HG H 1 0.107 0.020 . 1 . . . . 97 LEU HG . 16712 1 1217 . 1 1 97 97 LEU C C 13 174.831 0.3 . 1 . . . . 97 LEU C . 16712 1 1218 . 1 1 97 97 LEU CA C 13 55.165 0.3 . 1 . . . . 97 LEU CA . 16712 1 1219 . 1 1 97 97 LEU CB C 13 37.680 0.3 . 1 . . . . 97 LEU CB . 16712 1 1220 . 1 1 97 97 LEU CD1 C 13 23.663 0.3 . 1 . . . . 97 LEU CD1 . 16712 1 1221 . 1 1 97 97 LEU CD2 C 13 20.225 0.3 . 1 . . . . 97 LEU CD2 . 16712 1 1222 . 1 1 97 97 LEU CG C 13 24.188 0.3 . 1 . . . . 97 LEU CG . 16712 1 1223 . 1 1 97 97 LEU N N 15 122.420 0.3 . 1 . . . . 97 LEU N . 16712 1 1224 . 1 1 98 98 GLN H H 1 7.863 0.020 . 1 . . . . 98 GLN H . 16712 1 1225 . 1 1 98 98 GLN HA H 1 3.882 0.020 . 1 . . . . 98 GLN HA . 16712 1 1226 . 1 1 98 98 GLN HB2 H 1 2.162 0.020 . 2 . . . . 98 GLN HB2 . 16712 1 1227 . 1 1 98 98 GLN HB3 H 1 2.038 0.020 . 2 . . . . 98 GLN HB3 . 16712 1 1228 . 1 1 98 98 GLN HE21 H 1 7.402 0.020 . 1 . . . . 98 GLN HE21 . 16712 1 1229 . 1 1 98 98 GLN HE22 H 1 6.629 0.020 . 1 . . . . 98 GLN HE22 . 16712 1 1230 . 1 1 98 98 GLN HG2 H 1 2.373 0.020 . 1 . . . . 98 GLN HG2 . 16712 1 1231 . 1 1 98 98 GLN HG3 H 1 2.373 0.020 . 1 . . . . 98 GLN HG3 . 16712 1 1232 . 1 1 98 98 GLN C C 13 175.055 0.3 . 1 . . . . 98 GLN C . 16712 1 1233 . 1 1 98 98 GLN CA C 13 56.478 0.3 . 1 . . . . 98 GLN CA . 16712 1 1234 . 1 1 98 98 GLN CB C 13 24.833 0.3 . 1 . . . . 98 GLN CB . 16712 1 1235 . 1 1 98 98 GLN CD C 13 176.695 0.3 . 1 . . . . 98 GLN CD . 16712 1 1236 . 1 1 98 98 GLN CG C 13 30.557 0.3 . 1 . . . . 98 GLN CG . 16712 1 1237 . 1 1 98 98 GLN N N 15 118.980 0.3 . 1 . . . . 98 GLN N . 16712 1 1238 . 1 1 98 98 GLN NE2 N 15 110.981 0.3 . 1 . . . . 98 GLN NE2 . 16712 1 1239 . 1 1 99 99 ALA H H 1 7.738 0.020 . 1 . . . . 99 ALA H . 16712 1 1240 . 1 1 99 99 ALA HA H 1 3.984 0.020 . 1 . . . . 99 ALA HA . 16712 1 1241 . 1 1 99 99 ALA HB1 H 1 1.239 0.020 . 1 . . . . 99 ALA HB . 16712 1 1242 . 1 1 99 99 ALA HB2 H 1 1.239 0.020 . 1 . . . . 99 ALA HB . 16712 1 1243 . 1 1 99 99 ALA HB3 H 1 1.239 0.020 . 1 . . . . 99 ALA HB . 16712 1 1244 . 1 1 99 99 ALA C C 13 177.598 0.3 . 1 . . . . 99 ALA C . 16712 1 1245 . 1 1 99 99 ALA CA C 13 51.999 0.3 . 1 . . . . 99 ALA CA . 16712 1 1246 . 1 1 99 99 ALA CB C 13 14.802 0.3 . 1 . . . . 99 ALA CB . 16712 1 1247 . 1 1 99 99 ALA N N 15 120.627 0.3 . 1 . . . . 99 ALA N . 16712 1 1248 . 1 1 100 100 LEU H H 1 7.903 0.020 . 1 . . . . 100 LEU H . 16712 1 1249 . 1 1 100 100 LEU HA H 1 3.797 0.020 . 1 . . . . 100 LEU HA . 16712 1 1250 . 1 1 100 100 LEU HB2 H 1 1.285 0.020 . 2 . . . . 100 LEU HB2 . 16712 1 1251 . 1 1 100 100 LEU HB3 H 1 1.168 0.020 . 2 . . . . 100 LEU HB3 . 16712 1 1252 . 1 1 100 100 LEU HD11 H 1 0.664 0.020 . 1 . . . . 100 LEU HD1 . 16712 1 1253 . 1 1 100 100 LEU HD12 H 1 0.664 0.020 . 1 . . . . 100 LEU HD1 . 16712 1 1254 . 1 1 100 100 LEU HD13 H 1 0.664 0.020 . 1 . . . . 100 LEU HD1 . 16712 1 1255 . 1 1 100 100 LEU HD21 H 1 0.349 0.020 . 1 . . . . 100 LEU HD2 . 16712 1 1256 . 1 1 100 100 LEU HD22 H 1 0.349 0.020 . 1 . . . . 100 LEU HD2 . 16712 1 1257 . 1 1 100 100 LEU HD23 H 1 0.349 0.020 . 1 . . . . 100 LEU HD2 . 16712 1 1258 . 1 1 100 100 LEU HG H 1 0.176 0.020 . 1 . . . . 100 LEU HG . 16712 1 1259 . 1 1 100 100 LEU C C 13 176.692 0.3 . 1 . . . . 100 LEU C . 16712 1 1260 . 1 1 100 100 LEU CA C 13 54.704 0.3 . 1 . . . . 100 LEU CA . 16712 1 1261 . 1 1 100 100 LEU CB C 13 38.384 0.3 . 1 . . . . 100 LEU CB . 16712 1 1262 . 1 1 100 100 LEU CD1 C 13 23.569 0.3 . 1 . . . . 100 LEU CD1 . 16712 1 1263 . 1 1 100 100 LEU CD2 C 13 19.971 0.3 . 1 . . . . 100 LEU CD2 . 16712 1 1264 . 1 1 100 100 LEU CG C 13 23.272 0.3 . 1 . . . . 100 LEU CG . 16712 1 1265 . 1 1 100 100 LEU N N 15 121.756 0.3 . 1 . . . . 100 LEU N . 16712 1 1266 . 1 1 101 101 TYR H H 1 8.570 0.020 . 1 . . . . 101 TYR H . 16712 1 1267 . 1 1 101 101 TYR HA H 1 3.507 0.020 . 1 . . . . 101 TYR HA . 16712 1 1268 . 1 1 101 101 TYR HB2 H 1 3.021 0.020 . 2 . . . . 101 TYR HB2 . 16712 1 1269 . 1 1 101 101 TYR HB3 H 1 2.709 0.020 . 2 . . . . 101 TYR HB3 . 16712 1 1270 . 1 1 101 101 TYR HD1 H 1 6.959 0.020 . 1 . . . . 101 TYR HD1 . 16712 1 1271 . 1 1 101 101 TYR HD2 H 1 6.959 0.020 . 1 . . . . 101 TYR HD2 . 16712 1 1272 . 1 1 101 101 TYR CA C 13 59.760 0.3 . 1 . . . . 101 TYR CA . 16712 1 1273 . 1 1 101 101 TYR CB C 13 36.008 0.3 . 1 . . . . 101 TYR CB . 16712 1 1274 . 1 1 101 101 TYR CD1 C 13 128.982 0.3 . 1 . . . . 101 TYR CD1 . 16712 1 1275 . 1 1 101 101 TYR CE1 C 13 126.600 0.3 . 1 . . . . 101 TYR CE1 . 16712 1 1276 . 1 1 101 101 TYR N N 15 120.290 0.3 . 1 . . . . 101 TYR N . 16712 1 1277 . 1 1 102 102 ALA H H 1 8.429 0.020 . 1 . . . . 102 ALA H . 16712 1 1278 . 1 1 102 102 ALA HA H 1 3.752 0.020 . 1 . . . . 102 ALA HA . 16712 1 1279 . 1 1 102 102 ALA HB1 H 1 1.345 0.020 . 1 . . . . 102 ALA HB . 16712 1 1280 . 1 1 102 102 ALA HB2 H 1 1.345 0.020 . 1 . . . . 102 ALA HB . 16712 1 1281 . 1 1 102 102 ALA HB3 H 1 1.345 0.020 . 1 . . . . 102 ALA HB . 16712 1 1282 . 1 1 102 102 ALA C C 13 176.667 0.3 . 1 . . . . 102 ALA C . 16712 1 1283 . 1 1 102 102 ALA CA C 13 51.845 0.3 . 1 . . . . 102 ALA CA . 16712 1 1284 . 1 1 102 102 ALA CB C 13 15.066 0.3 . 1 . . . . 102 ALA CB . 16712 1 1285 . 1 1 102 102 ALA N N 15 120.428 0.3 . 1 . . . . 102 ALA N . 16712 1 1286 . 1 1 103 103 SER H H 1 7.564 0.020 . 1 . . . . 103 SER H . 16712 1 1287 . 1 1 103 103 SER HA H 1 3.981 0.020 . 1 . . . . 103 SER HA . 16712 1 1288 . 1 1 103 103 SER HB2 H 1 3.734 0.020 . 1 . . . . 103 SER HB2 . 16712 1 1289 . 1 1 103 103 SER HB3 H 1 3.734 0.020 . 1 . . . . 103 SER HB3 . 16712 1 1290 . 1 1 103 103 SER C C 13 172.742 0.3 . 1 . . . . 103 SER C . 16712 1 1291 . 1 1 103 103 SER CA C 13 57.693 0.3 . 1 . . . . 103 SER CA . 16712 1 1292 . 1 1 103 103 SER CB C 13 60.294 0.3 . 1 . . . . 103 SER CB . 16712 1 1293 . 1 1 103 103 SER N N 15 113.056 0.3 . 1 . . . . 103 SER N . 16712 1 1294 . 1 1 104 104 ILE H H 1 7.093 0.020 . 1 . . . . 104 ILE H . 16712 1 1295 . 1 1 104 104 ILE HA H 1 3.602 0.020 . 1 . . . . 104 ILE HA . 16712 1 1296 . 1 1 104 104 ILE HB H 1 1.372 0.020 . 1 . . . . 104 ILE HB . 16712 1 1297 . 1 1 104 104 ILE HD11 H 1 -0.023 0.020 . 1 . . . . 104 ILE HD1 . 16712 1 1298 . 1 1 104 104 ILE HD12 H 1 -0.023 0.020 . 1 . . . . 104 ILE HD1 . 16712 1 1299 . 1 1 104 104 ILE HD13 H 1 -0.023 0.020 . 1 . . . . 104 ILE HD1 . 16712 1 1300 . 1 1 104 104 ILE HG12 H 1 1.082 0.020 . 2 . . . . 104 ILE HG12 . 16712 1 1301 . 1 1 104 104 ILE HG13 H 1 0.553 0.020 . 2 . . . . 104 ILE HG13 . 16712 1 1302 . 1 1 104 104 ILE HG21 H 1 0.279 0.020 . 1 . . . . 104 ILE HG2 . 16712 1 1303 . 1 1 104 104 ILE HG22 H 1 0.279 0.020 . 1 . . . . 104 ILE HG2 . 16712 1 1304 . 1 1 104 104 ILE HG23 H 1 0.279 0.020 . 1 . . . . 104 ILE HG2 . 16712 1 1305 . 1 1 104 104 ILE C C 13 173.471 0.3 . 1 . . . . 104 ILE C . 16712 1 1306 . 1 1 104 104 ILE CA C 13 59.386 0.3 . 1 . . . . 104 ILE CA . 16712 1 1307 . 1 1 104 104 ILE CB C 13 35.128 0.3 . 1 . . . . 104 ILE CB . 16712 1 1308 . 1 1 104 104 ILE CD1 C 13 10.865 0.3 . 1 . . . . 104 ILE CD1 . 16712 1 1309 . 1 1 104 104 ILE CG1 C 13 24.524 0.3 . 1 . . . . 104 ILE CG1 . 16712 1 1310 . 1 1 104 104 ILE CG2 C 13 14.280 0.3 . 1 . . . . 104 ILE CG2 . 16712 1 1311 . 1 1 104 104 ILE N N 15 121.291 0.3 . 1 . . . . 104 ILE N . 16712 1 1312 . 1 1 105 105 HIS H H 1 7.644 0.020 . 1 . . . . 105 HIS H . 16712 1 1313 . 1 1 105 105 HIS HA H 1 4.159 0.020 . 1 . . . . 105 HIS HA . 16712 1 1314 . 1 1 105 105 HIS HB2 H 1 2.915 0.020 . 2 . . . . 105 HIS HB2 . 16712 1 1315 . 1 1 105 105 HIS HB3 H 1 2.430 0.020 . 2 . . . . 105 HIS HB3 . 16712 1 1316 . 1 1 105 105 HIS HD2 H 1 6.516 0.020 . 1 . . . . 105 HIS HD2 . 16712 1 1317 . 1 1 105 105 HIS HE1 H 1 8.125 0.020 . 1 . . . . 105 HIS HE1 . 16712 1 1318 . 1 1 105 105 HIS C C 13 171.271 0.3 . 1 . . . . 105 HIS C . 16712 1 1319 . 1 1 105 105 HIS CA C 13 53.296 0.3 . 1 . . . . 105 HIS CA . 16712 1 1320 . 1 1 105 105 HIS CB C 13 26.329 0.3 . 1 . . . . 105 HIS CB . 16712 1 1321 . 1 1 105 105 HIS CD2 C 13 116.579 0.3 . 1 . . . . 105 HIS CD2 . 16712 1 1322 . 1 1 105 105 HIS N N 15 119.492 0.3 . 1 . . . . 105 HIS N . 16712 1 1323 . 1 1 106 106 HIS H H 1 7.973 0.020 . 1 . . . . 106 HIS H . 16712 1 1324 . 1 1 106 106 HIS HA H 1 4.382 0.020 . 1 . . . . 106 HIS HA . 16712 1 1325 . 1 1 106 106 HIS HB2 H 1 3.007 0.020 . 2 . . . . 106 HIS HB2 . 16712 1 1326 . 1 1 106 106 HIS HB3 H 1 2.888 0.020 . 2 . . . . 106 HIS HB3 . 16712 1 1327 . 1 1 106 106 HIS HD2 H 1 6.977 0.020 . 1 . . . . 106 HIS HD2 . 16712 1 1328 . 1 1 106 106 HIS HE1 H 1 7.617 0.020 . 1 . . . . 106 HIS HE1 . 16712 1 1329 . 1 1 106 106 HIS CA C 13 52.967 0.3 . 1 . . . . 106 HIS CA . 16712 1 1330 . 1 1 106 106 HIS CB C 13 26.118 0.3 . 1 . . . . 106 HIS CB . 16712 1 1331 . 1 1 106 106 HIS CD2 C 13 116.579 0.3 . 1 . . . . 106 HIS CD2 . 16712 1 1332 . 1 1 106 106 HIS CE1 C 13 135.993 0.3 . 1 . . . . 106 HIS CE1 . 16712 1 1333 . 1 1 106 106 HIS N N 15 118.779 0.3 . 1 . . . . 106 HIS N . 16712 1 1334 . 1 1 107 107 HIS H H 1 8.489 0.020 . 1 . . . . 107 HIS H . 16712 1 1335 . 1 1 107 107 HIS HA H 1 4.447 0.020 . 1 . . . . 107 HIS HA . 16712 1 1336 . 1 1 107 107 HIS HB2 H 1 3.007 0.020 . 2 . . . . 107 HIS HB2 . 16712 1 1337 . 1 1 107 107 HIS HB3 H 1 2.906 0.020 . 2 . . . . 107 HIS HB3 . 16712 1 1338 . 1 1 107 107 HIS CA C 13 52.573 0.3 . 1 . . . . 107 HIS CA . 16712 1 1339 . 1 1 107 107 HIS CB C 13 26.285 0.3 . 1 . . . . 107 HIS CB . 16712 1 1340 . 1 1 107 107 HIS N N 15 120.096 0.3 . 1 . . . . 107 HIS N . 16712 1 1341 . 1 1 108 108 HIS H H 1 8.632 0.020 . 1 . . . . 108 HIS H . 16712 1 1342 . 1 1 108 108 HIS HA H 1 4.444 0.020 . 1 . . . . 108 HIS HA . 16712 1 1343 . 1 1 108 108 HIS HB2 H 1 3.007 0.020 . 2 . . . . 108 HIS HB2 . 16712 1 1344 . 1 1 108 108 HIS HB3 H 1 2.889 0.020 . 2 . . . . 108 HIS HB3 . 16712 1 1345 . 1 1 108 108 HIS CA C 13 52.622 0.3 . 1 . . . . 108 HIS CA . 16712 1 1346 . 1 1 108 108 HIS CB C 13 26.459 0.3 . 1 . . . . 108 HIS CB . 16712 1 1347 . 1 1 108 108 HIS N N 15 120.805 0.3 . 1 . . . . 108 HIS N . 16712 1 1348 . 1 1 109 109 HIS H H 1 8.552 0.020 . 1 . . . . 109 HIS H . 16712 1 1349 . 1 1 109 109 HIS HA H 1 4.444 0.020 . 1 . . . . 109 HIS HA . 16712 1 1350 . 1 1 109 109 HIS HB2 H 1 3.008 0.020 . 2 . . . . 109 HIS HB2 . 16712 1 1351 . 1 1 109 109 HIS HB3 H 1 2.891 0.020 . 2 . . . . 109 HIS HB3 . 16712 1 1352 . 1 1 109 109 HIS CA C 13 52.725 0.3 . 1 . . . . 109 HIS CA . 16712 1 1353 . 1 1 109 109 HIS CB C 13 26.459 0.3 . 1 . . . . 109 HIS CB . 16712 1 1354 . 1 1 109 109 HIS N N 15 120.704 0.3 . 1 . . . . 109 HIS N . 16712 1 1355 . 1 1 110 110 HIS H H 1 8.230 0.020 . 1 . . . . 110 HIS H . 16712 1 1356 . 1 1 110 110 HIS HA H 1 4.253 0.020 . 1 . . . . 110 HIS HA . 16712 1 1357 . 1 1 110 110 HIS HB2 H 1 3.039 0.020 . 2 . . . . 110 HIS HB2 . 16712 1 1358 . 1 1 110 110 HIS HB3 H 1 2.922 0.020 . 2 . . . . 110 HIS HB3 . 16712 1 1359 . 1 1 110 110 HIS HD2 H 1 7.005 0.020 . 1 . . . . 110 HIS HD2 . 16712 1 1360 . 1 1 110 110 HIS C C 13 176.317 0.3 . 1 . . . . 110 HIS C . 16712 1 1361 . 1 1 110 110 HIS CA C 13 54.242 0.3 . 1 . . . . 110 HIS CA . 16712 1 1362 . 1 1 110 110 HIS CB C 13 26.637 0.3 . 1 . . . . 110 HIS CB . 16712 1 1363 . 1 1 110 110 HIS CD2 C 13 116.744 0.3 . 1 . . . . 110 HIS CD2 . 16712 1 1364 . 1 1 110 110 HIS N N 15 125.475 0.3 . 1 . . . . 110 HIS N . 16712 1 stop_ save_