data_6913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6913 _Entry.Title ; '1H, 13C and 15N Resonance Assignments for the Reduced Form of Thioredoxin 2 from Saccharomyces cerevisiae' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-01 _Entry.Accession_date 2005-12-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Gisele Amorim . C. . 6913 2 'Luis Eduardo' Netto . S. . 6913 3 'Ana Paula' Valente . . . 6913 4 Fabio Almeida . 'C. L.' . 6913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 6913 '15N chemical shifts' 103 6913 '1H chemical shifts' 700 6913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2011-06-16 2005-12-01 update BMRB 'fill in component name in cs saveframe' 6913 2 . . 2007-02-08 2005-12-01 update BMRB 'complete entry citation' 6913 1 . . 2006-04-14 2005-12-01 original author 'original release' 6913 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6912 'thioredoxin 1' 6913 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6913 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16609834 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Resonance Assignments for the Reduced Forms of Thioredoxin 1 and 2 from S. cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 35 _Citation.Page_last 35 _Citation.Year 2006 _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 Anderson Pinheiro . S. . 6913 1 2 Gisele Amorim . C. . 6913 1 3 'Luis Eduardo' Netto . S. . 6913 1 4 'Ana Paula' Valente . . . 6913 1 5 Fabio Almeida . 'C. L.' . 6913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6913 _Assembly.ID 1 _Assembly.Name 'thioredoxin 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 thioredoxin 1 $thioredoxin . . yes native no no . . . 6913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_thioredoxin _Entity.Sf_category entity _Entity.Sf_framecode thioredoxin _Entity.Entry_ID 6913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'thioredoxin 2' _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 ; MVTQLKSASEYDSALASGDK LVVVDFFATWCGPCKMIAPM IEKFAEQYSDAAFYKLDVDE VSDVAQKAEVSSMPTLIFYK GGKEVTRVVGANPAAIKQAI ASNV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FA4 . "Crystal Structure Of Oxidized Form From Saccharomyces Cerevisiae" . . . . . 100.00 111 100.00 100.00 6.79e-69 . . . . 6913 1 2 no PDB 2HSY . "Solution Structure Of Thioredoxin 2 From Saccharomyces Cerevisiae" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 3 no PDB 3PIN . "Crystal Structure Of Mxr1 From Saccharomyces Cerevisiae In Complex With Trx2" . . . . . 100.00 104 99.04 99.04 6.21e-67 . . . . 6913 1 4 no PDB 4DSS . "Crystal Structure Of Peroxiredoxin Ahp1 From Saccharomyces Cerevisiae In Complex With Thioredoxin Trx2" . . . . . 100.00 112 99.04 99.04 1.57e-67 . . . . 6913 1 5 no DBJ GAA23581 . "K7_Trx2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 104 99.04 99.04 2.80e-67 . . . . 6913 1 6 no EMBL CAA89002 . "thioredoxin I [Saccharomyces cerevisiae]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 7 no EMBL CAA97236 . "TRX2 [Saccharomyces cerevisiae]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 8 no EMBL CAY79968 . "Trx2p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 9 no GB AAA35170 . "thioredoxin I [Saccharomyces cerevisiae]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 10 no GB AAA35178 . "thioredoxin 2 [Saccharomyces cerevisiae]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 11 no GB AAA85584 . "thioredoxin-2 [Saccharomyces cerevisiae]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 12 no GB AAS56143 . "YGR209C [Saccharomyces cerevisiae]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 13 no GB AHY79550 . "Trx2p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 14 no REF NP_011725 . "thioredoxin TRX2 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 15 no SP P22803 . "RecName: Full=Thioredoxin-2; AltName: Full=Thioredoxin II; Short=TR-II; AltName: Full=Thioredoxin-1 [Saccharomyces cerevisiae S" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 1 16 no TPG DAA08303 . "TPA: thioredoxin TRX2 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 104 100.00 100.00 4.29e-68 . . . . 6913 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 . 6913 1 2 . VAL . 6913 1 3 . THR . 6913 1 4 . GLN . 6913 1 5 . LEU . 6913 1 6 . LYS . 6913 1 7 . SER . 6913 1 8 . ALA . 6913 1 9 . SER . 6913 1 10 . GLU . 6913 1 11 . TYR . 6913 1 12 . ASP . 6913 1 13 . SER . 6913 1 14 . ALA . 6913 1 15 . LEU . 6913 1 16 . ALA . 6913 1 17 . SER . 6913 1 18 . GLY . 6913 1 19 . ASP . 6913 1 20 . LYS . 6913 1 21 . LEU . 6913 1 22 . VAL . 6913 1 23 . VAL . 6913 1 24 . VAL . 6913 1 25 . ASP . 6913 1 26 . PHE . 6913 1 27 . PHE . 6913 1 28 . ALA . 6913 1 29 . THR . 6913 1 30 . TRP . 6913 1 31 . CYS . 6913 1 32 . GLY . 6913 1 33 . PRO . 6913 1 34 . CYS . 6913 1 35 . LYS . 6913 1 36 . MET . 6913 1 37 . ILE . 6913 1 38 . ALA . 6913 1 39 . PRO . 6913 1 40 . MET . 6913 1 41 . ILE . 6913 1 42 . GLU . 6913 1 43 . LYS . 6913 1 44 . PHE . 6913 1 45 . ALA . 6913 1 46 . GLU . 6913 1 47 . GLN . 6913 1 48 . TYR . 6913 1 49 . SER . 6913 1 50 . ASP . 6913 1 51 . ALA . 6913 1 52 . ALA . 6913 1 53 . PHE . 6913 1 54 . TYR . 6913 1 55 . LYS . 6913 1 56 . LEU . 6913 1 57 . ASP . 6913 1 58 . VAL . 6913 1 59 . ASP . 6913 1 60 . GLU . 6913 1 61 . VAL . 6913 1 62 . SER . 6913 1 63 . ASP . 6913 1 64 . VAL . 6913 1 65 . ALA . 6913 1 66 . GLN . 6913 1 67 . LYS . 6913 1 68 . ALA . 6913 1 69 . GLU . 6913 1 70 . VAL . 6913 1 71 . SER . 6913 1 72 . SER . 6913 1 73 . MET . 6913 1 74 . PRO . 6913 1 75 . THR . 6913 1 76 . LEU . 6913 1 77 . ILE . 6913 1 78 . PHE . 6913 1 79 . TYR . 6913 1 80 . LYS . 6913 1 81 . GLY . 6913 1 82 . GLY . 6913 1 83 . LYS . 6913 1 84 . GLU . 6913 1 85 . VAL . 6913 1 86 . THR . 6913 1 87 . ARG . 6913 1 88 . VAL . 6913 1 89 . VAL . 6913 1 90 . GLY . 6913 1 91 . ALA . 6913 1 92 . ASN . 6913 1 93 . PRO . 6913 1 94 . ALA . 6913 1 95 . ALA . 6913 1 96 . ILE . 6913 1 97 . LYS . 6913 1 98 . GLN . 6913 1 99 . ALA . 6913 1 100 . ILE . 6913 1 101 . ALA . 6913 1 102 . SER . 6913 1 103 . ASN . 6913 1 104 . VAL . 6913 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 6913 1 . VAL 2 2 6913 1 . THR 3 3 6913 1 . GLN 4 4 6913 1 . LEU 5 5 6913 1 . LYS 6 6 6913 1 . SER 7 7 6913 1 . ALA 8 8 6913 1 . SER 9 9 6913 1 . GLU 10 10 6913 1 . TYR 11 11 6913 1 . ASP 12 12 6913 1 . SER 13 13 6913 1 . ALA 14 14 6913 1 . LEU 15 15 6913 1 . ALA 16 16 6913 1 . SER 17 17 6913 1 . GLY 18 18 6913 1 . ASP 19 19 6913 1 . LYS 20 20 6913 1 . LEU 21 21 6913 1 . VAL 22 22 6913 1 . VAL 23 23 6913 1 . VAL 24 24 6913 1 . ASP 25 25 6913 1 . PHE 26 26 6913 1 . PHE 27 27 6913 1 . ALA 28 28 6913 1 . THR 29 29 6913 1 . TRP 30 30 6913 1 . CYS 31 31 6913 1 . GLY 32 32 6913 1 . PRO 33 33 6913 1 . CYS 34 34 6913 1 . LYS 35 35 6913 1 . MET 36 36 6913 1 . ILE 37 37 6913 1 . ALA 38 38 6913 1 . PRO 39 39 6913 1 . MET 40 40 6913 1 . ILE 41 41 6913 1 . GLU 42 42 6913 1 . LYS 43 43 6913 1 . PHE 44 44 6913 1 . ALA 45 45 6913 1 . GLU 46 46 6913 1 . GLN 47 47 6913 1 . TYR 48 48 6913 1 . SER 49 49 6913 1 . ASP 50 50 6913 1 . ALA 51 51 6913 1 . ALA 52 52 6913 1 . PHE 53 53 6913 1 . TYR 54 54 6913 1 . LYS 55 55 6913 1 . LEU 56 56 6913 1 . ASP 57 57 6913 1 . VAL 58 58 6913 1 . ASP 59 59 6913 1 . GLU 60 60 6913 1 . VAL 61 61 6913 1 . SER 62 62 6913 1 . ASP 63 63 6913 1 . VAL 64 64 6913 1 . ALA 65 65 6913 1 . GLN 66 66 6913 1 . LYS 67 67 6913 1 . ALA 68 68 6913 1 . GLU 69 69 6913 1 . VAL 70 70 6913 1 . SER 71 71 6913 1 . SER 72 72 6913 1 . MET 73 73 6913 1 . PRO 74 74 6913 1 . THR 75 75 6913 1 . LEU 76 76 6913 1 . ILE 77 77 6913 1 . PHE 78 78 6913 1 . TYR 79 79 6913 1 . LYS 80 80 6913 1 . GLY 81 81 6913 1 . GLY 82 82 6913 1 . LYS 83 83 6913 1 . GLU 84 84 6913 1 . VAL 85 85 6913 1 . THR 86 86 6913 1 . ARG 87 87 6913 1 . VAL 88 88 6913 1 . VAL 89 89 6913 1 . GLY 90 90 6913 1 . ALA 91 91 6913 1 . ASN 92 92 6913 1 . PRO 93 93 6913 1 . ALA 94 94 6913 1 . ALA 95 95 6913 1 . ILE 96 96 6913 1 . LYS 97 97 6913 1 . GLN 98 98 6913 1 . ALA 99 99 6913 1 . ILE 100 100 6913 1 . ALA 101 101 6913 1 . SER 102 102 6913 1 . ASN 103 103 6913 1 . VAL 104 104 6913 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 6913 _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 $thioredoxin . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6913 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 6913 _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 $thioredoxin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6913 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6913 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'thioredoxin 2' '[U-13C; U-15N]' . . 1 $thioredoxin . . 1.2 . . mM . . . . 6913 1 2 2-mercaptoethanol . . . . . . . 10 . . mM . . . . 6913 1 3 H2O . . . . . . . 90 . . % . . . . 6913 1 4 D2O . . . . . . . 10 . . % . . . . 6913 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6913 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'thioredoxin 2' [U-15N] . . 1 $thioredoxin . . 1.2 . . mM . . . . 6913 2 2 DTT . . . . . . . 10 . . mM . . . . 6913 2 3 H2O . . . . . . . 90 . . % . . . . 6913 2 4 D2O . . . . . . . 10 . . % . . . . 6913 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6913 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'thioredoxin 2' . . . 1 $thioredoxin . . 1.2 . . mM . . . . 6913 3 2 DTT . . . . . . . 10 . . mM . . . . 6913 3 3 D2O . . . . . . . 99 . . % . . . . 6913 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6913 _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 pH 7.0 0 pH 6913 1 temperature 303 0 K 6913 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 6913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6913 _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 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 2 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 3 HNCOCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 4 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 5 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 6 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 7 HCCCONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 8 CCCONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6913 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6913 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6913 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6913 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6913 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL HA H 1 3.965 0.02 . 1 . . . . 2 VAL HA . 6913 1 2 . 1 1 2 2 VAL HB H 1 1.532 0.02 . 1 . . . . 2 VAL HB . 6913 1 3 . 1 1 2 2 VAL HG11 H 1 0.655 0.02 . 2 . . . . 2 VAL HG11 . 6913 1 4 . 1 1 2 2 VAL HG12 H 1 0.655 0.02 . 2 . . . . 2 VAL HG11 . 6913 1 5 . 1 1 2 2 VAL HG13 H 1 0.655 0.02 . 2 . . . . 2 VAL HG11 . 6913 1 6 . 1 1 2 2 VAL HG21 H 1 0.655 0.02 . 2 . . . . 2 VAL HG21 . 6913 1 7 . 1 1 2 2 VAL HG22 H 1 0.655 0.02 . 2 . . . . 2 VAL HG21 . 6913 1 8 . 1 1 2 2 VAL HG23 H 1 0.655 0.02 . 2 . . . . 2 VAL HG21 . 6913 1 9 . 1 1 2 2 VAL CA C 13 60.916 0.02 . 1 . . . . 2 VAL CA . 6913 1 10 . 1 1 2 2 VAL CB C 13 30.107 0.02 . 1 . . . . 2 VAL CB . 6913 1 11 . 1 1 2 2 VAL CG1 C 13 20.450 0.02 . 1 . . . . 2 VAL CG1 . 6913 1 12 . 1 1 2 2 VAL CG2 C 13 20.450 0.02 . 1 . . . . 2 VAL CG2 . 6913 1 13 . 1 1 3 3 THR H H 1 7.822 0.02 . 1 . . . . 3 THR HN . 6913 1 14 . 1 1 3 3 THR HA H 1 4.202 0.02 . 1 . . . . 3 THR HA . 6913 1 15 . 1 1 3 3 THR HB H 1 4.050 0.02 . 1 . . . . 3 THR HB . 6913 1 16 . 1 1 3 3 THR HG21 H 1 1.344 0.02 . 1 . . . . 3 THR HG21 . 6913 1 17 . 1 1 3 3 THR HG22 H 1 1.344 0.02 . 1 . . . . 3 THR HG21 . 6913 1 18 . 1 1 3 3 THR HG23 H 1 1.344 0.02 . 1 . . . . 3 THR HG21 . 6913 1 19 . 1 1 3 3 THR C C 13 174.628 0.02 . 1 . . . . 3 THR C . 6913 1 20 . 1 1 3 3 THR CA C 13 61.139 0.02 . 1 . . . . 3 THR CA . 6913 1 21 . 1 1 3 3 THR CB C 13 67.397 0.02 . 1 . . . . 3 THR CB . 6913 1 22 . 1 1 3 3 THR CG2 C 13 19.164 0.02 . 1 . . . . 3 THR CG2 . 6913 1 23 . 1 1 3 3 THR N N 15 125.714 0.02 . 1 . . . . 3 THR N . 6913 1 24 . 1 1 4 4 GLN H H 1 9.190 0.02 . 1 . . . . 4 GLN HN . 6913 1 25 . 1 1 4 4 GLN HA H 1 4.927 0.02 . 1 . . . . 4 GLN HA . 6913 1 26 . 1 1 4 4 GLN HB2 H 1 1.957 0.02 . 2 . . . . 4 GLN HB1 . 6913 1 27 . 1 1 4 4 GLN HB3 H 1 2.072 0.02 . 2 . . . . 4 GLN HB2 . 6913 1 28 . 1 1 4 4 GLN HG2 H 1 2.304 0.02 . 2 . . . . 4 GLN HG1 . 6913 1 29 . 1 1 4 4 GLN HG3 H 1 2.375 0.02 . 2 . . . . 4 GLN HG2 . 6913 1 30 . 1 1 4 4 GLN HE21 H 1 7.659 0.02 . 2 . . . . 4 GLN HE21 . 6913 1 31 . 1 1 4 4 GLN HE22 H 1 7.026 0.02 . 2 . . . . 4 GLN HE22 . 6913 1 32 . 1 1 4 4 GLN C C 13 171.242 0.02 . 1 . . . . 4 GLN C . 6913 1 33 . 1 1 4 4 GLN CA C 13 53.147 0.02 . 1 . . . . 4 GLN CA . 6913 1 34 . 1 1 4 4 GLN CB C 13 25.836 0.02 . 1 . . . . 4 GLN CB . 6913 1 35 . 1 1 4 4 GLN CG C 13 31.271 0.02 . 1 . . . . 4 GLN CG . 6913 1 36 . 1 1 4 4 GLN N N 15 128.806 0.02 . 1 . . . . 4 GLN N . 6913 1 37 . 1 1 4 4 GLN NE2 N 15 112.756 0.02 . 1 . . . . 4 GLN NE2 . 6913 1 38 . 1 1 5 5 LEU H H 1 8.962 0.02 . 1 . . . . 5 LEU HN . 6913 1 39 . 1 1 5 5 LEU HA H 1 4.705 0.02 . 1 . . . . 5 LEU HA . 6913 1 40 . 1 1 5 5 LEU HB2 H 1 1.942 0.02 . 2 . . . . 5 LEU HB1 . 6913 1 41 . 1 1 5 5 LEU HB3 H 1 1.170 0.02 . 2 . . . . 5 LEU HB2 . 6913 1 42 . 1 1 5 5 LEU HG H 1 1.294 0.02 . 1 . . . . 5 LEU HG . 6913 1 43 . 1 1 5 5 LEU HD11 H 1 0.538 0.02 . 2 . . . . 5 LEU HD11 . 6913 1 44 . 1 1 5 5 LEU HD12 H 1 0.538 0.02 . 2 . . . . 5 LEU HD11 . 6913 1 45 . 1 1 5 5 LEU HD13 H 1 0.538 0.02 . 2 . . . . 5 LEU HD11 . 6913 1 46 . 1 1 5 5 LEU HD21 H 1 0.629 0.02 . 2 . . . . 5 LEU HD21 . 6913 1 47 . 1 1 5 5 LEU HD22 H 1 0.629 0.02 . 2 . . . . 5 LEU HD21 . 6913 1 48 . 1 1 5 5 LEU HD23 H 1 0.629 0.02 . 2 . . . . 5 LEU HD21 . 6913 1 49 . 1 1 5 5 LEU C C 13 173.090 0.02 . 1 . . . . 5 LEU C . 6913 1 50 . 1 1 5 5 LEU CA C 13 52.005 0.02 . 1 . . . . 5 LEU CA . 6913 1 51 . 1 1 5 5 LEU CB C 13 41.235 0.02 . 1 . . . . 5 LEU CB . 6913 1 52 . 1 1 5 5 LEU CG C 13 23.184 0.02 . 1 . . . . 5 LEU CG . 6913 1 53 . 1 1 5 5 LEU CD1 C 13 23.184 0.02 . 1 . . . . 5 LEU CD1 . 6913 1 54 . 1 1 5 5 LEU CD2 C 13 24.700 0.02 . 1 . . . . 5 LEU CD2 . 6913 1 55 . 1 1 5 5 LEU N N 15 128.500 0.02 . 1 . . . . 5 LEU N . 6913 1 56 . 1 1 6 6 LYS H H 1 8.970 0.02 . 1 . . . . 6 LYS HN . 6913 1 57 . 1 1 6 6 LYS HA H 1 4.360 0.02 . 1 . . . . 6 LYS HA . 6913 1 58 . 1 1 6 6 LYS HB2 H 1 1.846 0.02 . 2 . . . . 6 LYS HB1 . 6913 1 59 . 1 1 6 6 LYS HB3 H 1 2.050 0.02 . 2 . . . . 6 LYS HB2 . 6913 1 60 . 1 1 6 6 LYS HG2 H 1 1.493 0.02 . 1 . . . . 6 LYS HG1 . 6913 1 61 . 1 1 6 6 LYS HG3 H 1 1.493 0.02 . 1 . . . . 6 LYS HG2 . 6913 1 62 . 1 1 6 6 LYS HD2 H 1 1.744 0.02 . 1 . . . . 6 LYS HD1 . 6913 1 63 . 1 1 6 6 LYS HD3 H 1 1.744 0.02 . 1 . . . . 6 LYS HD2 . 6913 1 64 . 1 1 6 6 LYS HE2 H 1 3.066 0.02 . 2 . . . . 6 LYS HE1 . 6913 1 65 . 1 1 6 6 LYS HE3 H 1 2.958 0.02 . 2 . . . . 6 LYS HE2 . 6913 1 66 . 1 1 6 6 LYS C C 13 174.841 0.02 . 1 . . . . 6 LYS C . 6913 1 67 . 1 1 6 6 LYS CA C 13 54.006 0.02 . 1 . . . . 6 LYS CA . 6913 1 68 . 1 1 6 6 LYS CB C 13 30.327 0.02 . 1 . . . . 6 LYS CB . 6913 1 69 . 1 1 6 6 LYS CG C 13 22.270 0.02 . 1 . . . . 6 LYS CG . 6913 1 70 . 1 1 6 6 LYS CD C 13 25.880 0.02 . 1 . . . . 6 LYS CD . 6913 1 71 . 1 1 6 6 LYS CE C 13 40.100 0.02 . 1 . . . . 6 LYS CE . 6913 1 72 . 1 1 6 6 LYS N N 15 120.300 0.02 . 1 . . . . 6 LYS N . 6913 1 73 . 1 1 7 7 SER H H 1 7.384 0.02 . 1 . . . . 7 SER HN . 6913 1 74 . 1 1 7 7 SER HA H 1 4.716 0.02 . 1 . . . . 7 SER HA . 6913 1 75 . 1 1 7 7 SER HB2 H 1 4.242 0.02 . 2 . . . . 7 SER HB1 . 6913 1 76 . 1 1 7 7 SER HB3 H 1 4.024 0.02 . 2 . . . . 7 SER HB2 . 6913 1 77 . 1 1 7 7 SER C C 13 173.004 0.02 . 1 . . . . 7 SER C . 6913 1 78 . 1 1 7 7 SER CA C 13 54.835 0.02 . 1 . . . . 7 SER CA . 6913 1 79 . 1 1 7 7 SER CB C 13 64.197 0.02 . 1 . . . . 7 SER CB . 6913 1 80 . 1 1 7 7 SER N N 15 109.636 0.02 . 1 . . . . 7 SER N . 6913 1 81 . 1 1 8 8 ALA H H 1 9.370 0.02 . 1 . . . . 8 ALA HN . 6913 1 82 . 1 1 8 8 ALA HA H 1 4.709 0.02 . 1 . . . . 8 ALA HA . 6913 1 83 . 1 1 8 8 ALA HB1 H 1 1.496 0.02 . 1 . . . . 8 ALA HB1 . 6913 1 84 . 1 1 8 8 ALA HB2 H 1 1.496 0.02 . 1 . . . . 8 ALA HB1 . 6913 1 85 . 1 1 8 8 ALA HB3 H 1 1.496 0.02 . 1 . . . . 8 ALA HB1 . 6913 1 86 . 1 1 8 8 ALA CA C 13 53.146 0.02 . 1 . . . . 8 ALA CA . 6913 1 87 . 1 1 8 8 ALA CB C 13 16.258 0.02 . 1 . . . . 8 ALA CB . 6913 1 88 . 1 1 8 8 ALA N N 15 124.366 0.02 . 1 . . . . 8 ALA N . 6913 1 89 . 1 1 9 9 SER H H 1 8.518 0.02 . 1 . . . . 9 SER HN . 6913 1 90 . 1 1 9 9 SER HA H 1 4.297 0.02 . 1 . . . . 9 SER HA . 6913 1 91 . 1 1 9 9 SER HB2 H 1 3.921 0.02 . 1 . . . . 9 SER HB1 . 6913 1 92 . 1 1 9 9 SER HB3 H 1 3.921 0.02 . 1 . . . . 9 SER HB2 . 6913 1 93 . 1 1 9 9 SER CA C 13 60.645 0.02 . 1 . . . . 9 SER CA . 6913 1 94 . 1 1 9 9 SER CB C 13 69.553 0.02 . 1 . . . . 9 SER CB . 6913 1 95 . 1 1 9 9 SER N N 15 120.110 0.02 . 1 . . . . 9 SER N . 6913 1 96 . 1 1 10 10 GLU H H 1 7.610 0.02 . 1 . . . . 10 GLU HN . 6913 1 97 . 1 1 10 10 GLU HA H 1 4.010 0.02 . 1 . . . . 10 GLU HA . 6913 1 98 . 1 1 10 10 GLU HB2 H 1 2.024 0.02 . 2 . . . . 10 GLU HB1 . 6913 1 99 . 1 1 10 10 GLU HB3 H 1 2.167 0.02 . 2 . . . . 10 GLU HB2 . 6913 1 100 . 1 1 10 10 GLU HG2 H 1 2.292 0.02 . 2 . . . . 10 GLU HG1 . 6913 1 101 . 1 1 10 10 GLU HG3 H 1 2.429 0.02 . 2 . . . . 10 GLU HG2 . 6913 1 102 . 1 1 10 10 GLU C C 13 175.503 0.02 . 1 . . . . 10 GLU C . 6913 1 103 . 1 1 10 10 GLU CA C 13 57.099 0.02 . 1 . . . . 10 GLU CA . 6913 1 104 . 1 1 10 10 GLU CB C 13 27.834 0.02 . 1 . . . . 10 GLU CB . 6913 1 105 . 1 1 10 10 GLU CG C 13 34.000 0.02 . 1 . . . . 10 GLU CG . 6913 1 106 . 1 1 10 10 GLU N N 15 122.400 0.02 . 1 . . . . 10 GLU N . 6913 1 107 . 1 1 11 11 TYR H H 1 7.759 0.02 . 1 . . . . 11 TYR HN . 6913 1 108 . 1 1 11 11 TYR HA H 1 3.920 0.02 . 1 . . . . 11 TYR HA . 6913 1 109 . 1 1 11 11 TYR HB2 H 1 3.290 0.02 . 2 . . . . 11 TYR HB1 . 6913 1 110 . 1 1 11 11 TYR HB3 H 1 2.661 0.02 . 2 . . . . 11 TYR HB2 . 6913 1 111 . 1 1 11 11 TYR HD1 H 1 6.822 0.02 . 1 . . . . 11 TYR HD1 . 6913 1 112 . 1 1 11 11 TYR HD2 H 1 6.822 0.02 . 1 . . . . 11 TYR HD2 . 6913 1 113 . 1 1 11 11 TYR HE1 H 1 6.491 0.02 . 1 . . . . 11 TYR HE1 . 6913 1 114 . 1 1 11 11 TYR HE2 H 1 6.491 0.02 . 1 . . . . 11 TYR HE2 . 6913 1 115 . 1 1 11 11 TYR C C 13 177.080 0.02 . 1 . . . . 11 TYR C . 6913 1 116 . 1 1 11 11 TYR CA C 13 59.340 0.02 . 1 . . . . 11 TYR CA . 6913 1 117 . 1 1 11 11 TYR CB C 13 35.641 0.02 . 1 . . . . 11 TYR CB . 6913 1 118 . 1 1 11 11 TYR CD1 C 13 131.307 0.02 . 1 . . . . 11 TYR CD1 . 6913 1 119 . 1 1 11 11 TYR CD2 C 13 131.307 0.02 . 1 . . . . 11 TYR CD2 . 6913 1 120 . 1 1 11 11 TYR CE1 C 13 115.431 0.02 . 1 . . . . 11 TYR CE1 . 6913 1 121 . 1 1 11 11 TYR CE2 C 13 115.431 0.02 . 1 . . . . 11 TYR CE2 . 6913 1 122 . 1 1 11 11 TYR N N 15 122.115 0.02 . 1 . . . . 11 TYR N . 6913 1 123 . 1 1 12 12 ASP H H 1 8.723 0.02 . 1 . . . . 12 ASP HN . 6913 1 124 . 1 1 12 12 ASP HA H 1 3.980 0.02 . 1 . . . . 12 ASP HA . 6913 1 125 . 1 1 12 12 ASP HB2 H 1 2.536 0.02 . 2 . . . . 12 ASP HB1 . 6913 1 126 . 1 1 12 12 ASP HB3 H 1 2.712 0.02 . 2 . . . . 12 ASP HB2 . 6913 1 127 . 1 1 12 12 ASP C C 13 173.788 0.02 . 1 . . . . 12 ASP C . 6913 1 128 . 1 1 12 12 ASP CA C 13 55.454 0.02 . 1 . . . . 12 ASP CA . 6913 1 129 . 1 1 12 12 ASP CB C 13 37.731 0.02 . 1 . . . . 12 ASP CB . 6913 1 130 . 1 1 12 12 ASP N N 15 119.952 0.02 . 1 . . . . 12 ASP N . 6913 1 131 . 1 1 13 13 SER H H 1 7.853 0.02 . 1 . . . . 13 SER HN . 6913 1 132 . 1 1 13 13 SER HA H 1 4.088 0.02 . 1 . . . . 13 SER HA . 6913 1 133 . 1 1 13 13 SER HB2 H 1 3.851 0.02 . 2 . . . . 13 SER HB1 . 6913 1 134 . 1 1 13 13 SER HB3 H 1 4.180 0.02 . 2 . . . . 13 SER HB2 . 6913 1 135 . 1 1 13 13 SER C C 13 177.709 0.02 . 1 . . . . 13 SER C . 6913 1 136 . 1 1 13 13 SER CA C 13 58.664 0.02 . 1 . . . . 13 SER CA . 6913 1 137 . 1 1 13 13 SER CB C 13 60.803 0.02 . 1 . . . . 13 SER CB . 6913 1 138 . 1 1 13 13 SER N N 15 114.482 0.02 . 1 . . . . 13 SER N . 6913 1 139 . 1 1 14 14 ALA H H 1 7.755 0.02 . 1 . . . . 14 ALA HN . 6913 1 140 . 1 1 14 14 ALA HA H 1 3.794 0.02 . 1 . . . . 14 ALA HA . 6913 1 141 . 1 1 14 14 ALA HB1 H 1 0.596 0.02 . 1 . . . . 14 ALA HB1 . 6913 1 142 . 1 1 14 14 ALA HB2 H 1 0.596 0.02 . 1 . . . . 14 ALA HB1 . 6913 1 143 . 1 1 14 14 ALA HB3 H 1 0.596 0.02 . 1 . . . . 14 ALA HB1 . 6913 1 144 . 1 1 14 14 ALA C C 13 174.390 0.02 . 1 . . . . 14 ALA C . 6913 1 145 . 1 1 14 14 ALA CA C 13 52.323 0.02 . 1 . . . . 14 ALA CA . 6913 1 146 . 1 1 14 14 ALA CB C 13 14.616 0.02 . 1 . . . . 14 ALA CB . 6913 1 147 . 1 1 14 14 ALA N N 15 125.261 0.02 . 1 . . . . 14 ALA N . 6913 1 148 . 1 1 15 15 LEU H H 1 7.186 0.02 . 1 . . . . 15 LEU HN . 6913 1 149 . 1 1 15 15 LEU HA H 1 3.554 0.02 . 1 . . . . 15 LEU HA . 6913 1 150 . 1 1 15 15 LEU HB2 H 1 1.182 0.02 . 1 . . . . 15 LEU HB1 . 6913 1 151 . 1 1 15 15 LEU HB3 H 1 1.182 0.02 . 1 . . . . 15 LEU HB2 . 6913 1 152 . 1 1 15 15 LEU HG H 1 0.691 0.02 . 1 . . . . 15 LEU HG . 6913 1 153 . 1 1 15 15 LEU HD11 H 1 -0.323 0.02 . 2 . . . . 15 LEU HD11 . 6913 1 154 . 1 1 15 15 LEU HD12 H 1 -0.323 0.02 . 2 . . . . 15 LEU HD11 . 6913 1 155 . 1 1 15 15 LEU HD13 H 1 -0.323 0.02 . 2 . . . . 15 LEU HD11 . 6913 1 156 . 1 1 15 15 LEU HD21 H 1 -0.323 0.02 . 2 . . . . 15 LEU HD21 . 6913 1 157 . 1 1 15 15 LEU HD22 H 1 -0.323 0.02 . 2 . . . . 15 LEU HD21 . 6913 1 158 . 1 1 15 15 LEU HD23 H 1 -0.323 0.02 . 2 . . . . 15 LEU HD21 . 6913 1 159 . 1 1 15 15 LEU C C 13 177.301 0.02 . 1 . . . . 15 LEU C . 6913 1 160 . 1 1 15 15 LEU CA C 13 55.408 0.02 . 1 . . . . 15 LEU CA . 6913 1 161 . 1 1 15 15 LEU CB C 13 39.474 0.02 . 1 . . . . 15 LEU CB . 6913 1 162 . 1 1 15 15 LEU CG C 13 26.678 0.02 . 1 . . . . 15 LEU CG . 6913 1 163 . 1 1 15 15 LEU CD1 C 13 20.386 0.02 . 1 . . . . 15 LEU CD1 . 6913 1 164 . 1 1 15 15 LEU CD2 C 13 20.386 0.02 . 1 . . . . 15 LEU CD2 . 6913 1 165 . 1 1 15 15 LEU N N 15 116.529 0.02 . 1 . . . . 15 LEU N . 6913 1 166 . 1 1 16 16 ALA H H 1 7.077 0.02 . 1 . . . . 16 ALA HN . 6913 1 167 . 1 1 16 16 ALA HA H 1 4.440 0.02 . 1 . . . . 16 ALA HA . 6913 1 168 . 1 1 16 16 ALA HB1 H 1 1.380 0.02 . 1 . . . . 16 ALA HB1 . 6913 1 169 . 1 1 16 16 ALA HB2 H 1 1.380 0.02 . 1 . . . . 16 ALA HB1 . 6913 1 170 . 1 1 16 16 ALA HB3 H 1 1.380 0.02 . 1 . . . . 16 ALA HB1 . 6913 1 171 . 1 1 16 16 ALA C C 13 174.916 0.02 . 1 . . . . 16 ALA C . 6913 1 172 . 1 1 16 16 ALA CA C 13 49.772 0.02 . 1 . . . . 16 ALA CA . 6913 1 173 . 1 1 16 16 ALA CB C 13 16.849 0.02 . 1 . . . . 16 ALA CB . 6913 1 174 . 1 1 16 16 ALA N N 15 121.322 0.02 . 1 . . . . 16 ALA N . 6913 1 175 . 1 1 17 17 SER H H 1 7.243 0.02 . 1 . . . . 17 SER HN . 6913 1 176 . 1 1 17 17 SER HA H 1 4.430 0.02 . 1 . . . . 17 SER HA . 6913 1 177 . 1 1 17 17 SER HB2 H 1 3.918 0.02 . 2 . . . . 17 SER HB1 . 6913 1 178 . 1 1 17 17 SER HB3 H 1 3.966 0.02 . 2 . . . . 17 SER HB2 . 6913 1 179 . 1 1 17 17 SER C C 13 175.359 0.02 . 1 . . . . 17 SER C . 6913 1 180 . 1 1 17 17 SER CA C 13 56.412 0.02 . 1 . . . . 17 SER CA . 6913 1 181 . 1 1 17 17 SER CB C 13 62.007 0.02 . 1 . . . . 17 SER CB . 6913 1 182 . 1 1 17 17 SER N N 15 114.179 0.02 . 1 . . . . 17 SER N . 6913 1 183 . 1 1 18 18 GLY H H 1 8.450 0.02 . 1 . . . . 18 GLY HN . 6913 1 184 . 1 1 18 18 GLY HA2 H 1 3.935 0.02 . 2 . . . . 18 GLY HA1 . 6913 1 185 . 1 1 18 18 GLY HA3 H 1 4.087 0.02 . 2 . . . . 18 GLY HA2 . 6913 1 186 . 1 1 18 18 GLY C C 13 175.783 0.02 . 1 . . . . 18 GLY C . 6913 1 187 . 1 1 18 18 GLY CA C 13 43.872 0.02 . 1 . . . . 18 GLY CA . 6913 1 188 . 1 1 18 18 GLY N N 15 111.613 0.02 . 1 . . . . 18 GLY N . 6913 1 189 . 1 1 19 19 ASP H H 1 8.726 0.02 . 1 . . . . 19 ASP HN . 6913 1 190 . 1 1 19 19 ASP HA H 1 4.712 0.02 . 1 . . . . 19 ASP HA . 6913 1 191 . 1 1 19 19 ASP HB2 H 1 2.647 0.02 . 2 . . . . 19 ASP HB1 . 6913 1 192 . 1 1 19 19 ASP HB3 H 1 2.783 0.02 . 2 . . . . 19 ASP HB2 . 6913 1 193 . 1 1 19 19 ASP C C 13 172.553 0.02 . 1 . . . . 19 ASP C . 6913 1 194 . 1 1 19 19 ASP CA C 13 50.867 0.02 . 1 . . . . 19 ASP CA . 6913 1 195 . 1 1 19 19 ASP CB C 13 39.093 0.02 . 1 . . . . 19 ASP CB . 6913 1 196 . 1 1 19 19 ASP N N 15 118.990 0.02 . 1 . . . . 19 ASP N . 6913 1 197 . 1 1 20 20 LYS H H 1 7.742 0.02 . 1 . . . . 20 LYS HN . 6913 1 198 . 1 1 20 20 LYS HA H 1 4.500 0.02 . 1 . . . . 20 LYS HA . 6913 1 199 . 1 1 20 20 LYS HB2 H 1 1.935 0.02 . 2 . . . . 20 LYS HB1 . 6913 1 200 . 1 1 20 20 LYS HB3 H 1 1.850 0.02 . 2 . . . . 20 LYS HB2 . 6913 1 201 . 1 1 20 20 LYS HG2 H 1 1.547 0.02 . 1 . . . . 20 LYS HG1 . 6913 1 202 . 1 1 20 20 LYS HG3 H 1 1.547 0.02 . 1 . . . . 20 LYS HG2 . 6913 1 203 . 1 1 20 20 LYS HD2 H 1 1.692 0.02 . 1 . . . . 20 LYS HD1 . 6913 1 204 . 1 1 20 20 LYS HD3 H 1 1.692 0.02 . 1 . . . . 20 LYS HD2 . 6913 1 205 . 1 1 20 20 LYS HE2 H 1 3.006 0.02 . 1 . . . . 20 LYS HE1 . 6913 1 206 . 1 1 20 20 LYS HE3 H 1 3.006 0.02 . 1 . . . . 20 LYS HE2 . 6913 1 207 . 1 1 20 20 LYS C C 13 174.561 0.02 . 1 . . . . 20 LYS C . 6913 1 208 . 1 1 20 20 LYS CA C 13 51.834 0.02 . 1 . . . . 20 LYS CA . 6913 1 209 . 1 1 20 20 LYS CB C 13 31.340 0.02 . 1 . . . . 20 LYS CB . 6913 1 210 . 1 1 20 20 LYS CG C 13 22.394 0.02 . 1 . . . . 20 LYS CG . 6913 1 211 . 1 1 20 20 LYS CD C 13 25.981 0.02 . 1 . . . . 20 LYS CD . 6913 1 212 . 1 1 20 20 LYS CE C 13 39.100 0.02 . 1 . . . . 20 LYS CE . 6913 1 213 . 1 1 20 20 LYS N N 15 120.001 0.02 . 1 . . . . 20 LYS N . 6913 1 214 . 1 1 21 21 LEU H H 1 8.819 0.02 . 1 . . . . 21 LEU HN . 6913 1 215 . 1 1 21 21 LEU HA H 1 4.540 0.02 . 1 . . . . 21 LEU HA . 6913 1 216 . 1 1 21 21 LEU HB2 H 1 1.856 0.02 . 2 . . . . 21 LEU HB1 . 6913 1 217 . 1 1 21 21 LEU HB3 H 1 1.540 0.02 . 2 . . . . 21 LEU HB2 . 6913 1 218 . 1 1 21 21 LEU HG H 1 0.781 0.02 . 1 . . . . 21 LEU HG . 6913 1 219 . 1 1 21 21 LEU HD11 H 1 1.044 0.02 . 2 . . . . 21 LEU HD11 . 6913 1 220 . 1 1 21 21 LEU HD12 H 1 1.044 0.02 . 2 . . . . 21 LEU HD11 . 6913 1 221 . 1 1 21 21 LEU HD13 H 1 1.044 0.02 . 2 . . . . 21 LEU HD11 . 6913 1 222 . 1 1 21 21 LEU HD21 H 1 1.044 0.02 . 2 . . . . 21 LEU HD21 . 6913 1 223 . 1 1 21 21 LEU HD22 H 1 1.044 0.02 . 2 . . . . 21 LEU HD21 . 6913 1 224 . 1 1 21 21 LEU HD23 H 1 1.044 0.02 . 2 . . . . 21 LEU HD21 . 6913 1 225 . 1 1 21 21 LEU C C 13 172.522 0.02 . 1 . . . . 21 LEU C . 6913 1 226 . 1 1 21 21 LEU CA C 13 53.687 0.02 . 1 . . . . 21 LEU CA . 6913 1 227 . 1 1 21 21 LEU CB C 13 40.638 0.02 . 1 . . . . 21 LEU CB . 6913 1 228 . 1 1 21 21 LEU CG C 13 24.580 0.02 . 1 . . . . 21 LEU CG . 6913 1 229 . 1 1 21 21 LEU CD1 C 13 21.500 0.02 . 1 . . . . 21 LEU CD1 . 6913 1 230 . 1 1 21 21 LEU CD2 C 13 21.500 0.02 . 1 . . . . 21 LEU CD2 . 6913 1 231 . 1 1 21 21 LEU N N 15 124.295 0.02 . 1 . . . . 21 LEU N . 6913 1 232 . 1 1 22 22 VAL H H 1 9.087 0.02 . 1 . . . . 22 VAL HN . 6913 1 233 . 1 1 22 22 VAL HA H 1 4.804 0.02 . 1 . . . . 22 VAL HA . 6913 1 234 . 1 1 22 22 VAL HB H 1 2.045 0.02 . 1 . . . . 22 VAL HB . 6913 1 235 . 1 1 22 22 VAL HG11 H 1 1.134 0.02 . 2 . . . . 22 VAL HG11 . 6913 1 236 . 1 1 22 22 VAL HG12 H 1 1.134 0.02 . 2 . . . . 22 VAL HG11 . 6913 1 237 . 1 1 22 22 VAL HG13 H 1 1.134 0.02 . 2 . . . . 22 VAL HG11 . 6913 1 238 . 1 1 22 22 VAL HG21 H 1 0.799 0.02 . 2 . . . . 22 VAL HG21 . 6913 1 239 . 1 1 22 22 VAL HG22 H 1 0.799 0.02 . 2 . . . . 22 VAL HG21 . 6913 1 240 . 1 1 22 22 VAL HG23 H 1 0.799 0.02 . 2 . . . . 22 VAL HG21 . 6913 1 241 . 1 1 22 22 VAL C C 13 171.749 0.02 . 1 . . . . 22 VAL C . 6913 1 242 . 1 1 22 22 VAL CA C 13 59.359 0.02 . 1 . . . . 22 VAL CA . 6913 1 243 . 1 1 22 22 VAL CB C 13 32.392 0.02 . 1 . . . . 22 VAL CB . 6913 1 244 . 1 1 22 22 VAL CG1 C 13 17.900 0.02 . 1 . . . . 22 VAL CG1 . 6913 1 245 . 1 1 22 22 VAL CG2 C 13 17.900 0.02 . 1 . . . . 22 VAL CG2 . 6913 1 246 . 1 1 22 22 VAL N N 15 129.327 0.02 . 1 . . . . 22 VAL N . 6913 1 247 . 1 1 23 23 VAL H H 1 8.960 0.02 . 1 . . . . 23 VAL HN . 6913 1 248 . 1 1 23 23 VAL HA H 1 4.514 0.02 . 1 . . . . 23 VAL HA . 6913 1 249 . 1 1 23 23 VAL HB H 1 1.374 0.02 . 1 . . . . 23 VAL HB . 6913 1 250 . 1 1 23 23 VAL HG11 H 1 0.221 0.02 . 2 . . . . 23 VAL HG11 . 6913 1 251 . 1 1 23 23 VAL HG12 H 1 0.221 0.02 . 2 . . . . 23 VAL HG11 . 6913 1 252 . 1 1 23 23 VAL HG13 H 1 0.221 0.02 . 2 . . . . 23 VAL HG11 . 6913 1 253 . 1 1 23 23 VAL HG21 H 1 0.127 0.02 . 2 . . . . 23 VAL HG21 . 6913 1 254 . 1 1 23 23 VAL HG22 H 1 0.127 0.02 . 2 . . . . 23 VAL HG21 . 6913 1 255 . 1 1 23 23 VAL HG23 H 1 0.127 0.02 . 2 . . . . 23 VAL HG21 . 6913 1 256 . 1 1 23 23 VAL C C 13 171.969 0.02 . 1 . . . . 23 VAL C . 6913 1 257 . 1 1 23 23 VAL CA C 13 58.449 0.02 . 1 . . . . 23 VAL CA . 6913 1 258 . 1 1 23 23 VAL CB C 13 31.350 0.02 . 1 . . . . 23 VAL CB . 6913 1 259 . 1 1 23 23 VAL CG1 C 13 19.162 0.02 . 1 . . . . 23 VAL CG1 . 6913 1 260 . 1 1 23 23 VAL CG2 C 13 18.185 0.02 . 1 . . . . 23 VAL CG2 . 6913 1 261 . 1 1 23 23 VAL N N 15 128.365 0.02 . 1 . . . . 23 VAL N . 6913 1 262 . 1 1 24 24 VAL H H 1 9.130 0.02 . 1 . . . . 24 VAL HN . 6913 1 263 . 1 1 24 24 VAL HA H 1 4.543 0.02 . 1 . . . . 24 VAL HA . 6913 1 264 . 1 1 24 24 VAL HB H 1 2.276 0.02 . 1 . . . . 24 VAL HB . 6913 1 265 . 1 1 24 24 VAL HG11 H 1 0.209 0.02 . 2 . . . . 24 VAL HG11 . 6913 1 266 . 1 1 24 24 VAL HG12 H 1 0.209 0.02 . 2 . . . . 24 VAL HG11 . 6913 1 267 . 1 1 24 24 VAL HG13 H 1 0.209 0.02 . 2 . . . . 24 VAL HG11 . 6913 1 268 . 1 1 24 24 VAL HG21 H 1 0.819 0.02 . 2 . . . . 24 VAL HG21 . 6913 1 269 . 1 1 24 24 VAL HG22 H 1 0.819 0.02 . 2 . . . . 24 VAL HG21 . 6913 1 270 . 1 1 24 24 VAL HG23 H 1 0.819 0.02 . 2 . . . . 24 VAL HG21 . 6913 1 271 . 1 1 24 24 VAL C C 13 172.870 0.02 . 1 . . . . 24 VAL C . 6913 1 272 . 1 1 24 24 VAL CA C 13 59.442 0.02 . 1 . . . . 24 VAL CA . 6913 1 273 . 1 1 24 24 VAL CB C 13 31.370 0.02 . 1 . . . . 24 VAL CB . 6913 1 274 . 1 1 24 24 VAL CG1 C 13 20.412 0.02 . 1 . . . . 24 VAL CG1 . 6913 1 275 . 1 1 24 24 VAL CG2 C 13 18.225 0.02 . 1 . . . . 24 VAL CG2 . 6913 1 276 . 1 1 24 24 VAL N N 15 125.400 0.02 . 1 . . . . 24 VAL N . 6913 1 277 . 1 1 25 25 ASP H H 1 8.874 0.02 . 1 . . . . 25 ASP HN . 6913 1 278 . 1 1 25 25 ASP HA H 1 5.050 0.02 . 1 . . . . 25 ASP HA . 6913 1 279 . 1 1 25 25 ASP HB2 H 1 2.474 0.02 . 2 . . . . 25 ASP HB1 . 6913 1 280 . 1 1 25 25 ASP HB3 H 1 3.080 0.02 . 2 . . . . 25 ASP HB2 . 6913 1 281 . 1 1 25 25 ASP C C 13 171.493 0.02 . 1 . . . . 25 ASP C . 6913 1 282 . 1 1 25 25 ASP CA C 13 50.922 0.02 . 1 . . . . 25 ASP CA . 6913 1 283 . 1 1 25 25 ASP CB C 13 38.772 0.02 . 1 . . . . 25 ASP CB . 6913 1 284 . 1 1 25 25 ASP N N 15 126.470 0.02 . 1 . . . . 25 ASP N . 6913 1 285 . 1 1 26 26 PHE H H 1 9.525 0.02 . 1 . . . . 26 PHE HN . 6913 1 286 . 1 1 26 26 PHE HA H 1 5.188 0.02 . 1 . . . . 26 PHE HA . 6913 1 287 . 1 1 26 26 PHE HB2 H 1 3.596 0.02 . 2 . . . . 26 PHE HB1 . 6913 1 288 . 1 1 26 26 PHE HB3 H 1 2.560 0.02 . 2 . . . . 26 PHE HB2 . 6913 1 289 . 1 1 26 26 PHE HD1 H 1 7.288 0.02 . 1 . . . . 26 PHE HD1 . 6913 1 290 . 1 1 26 26 PHE HD2 H 1 7.288 0.02 . 1 . . . . 26 PHE HD2 . 6913 1 291 . 1 1 26 26 PHE HE1 H 1 6.980 0.02 . 3 . . . . 26 PHE HE1 . 6913 1 292 . 1 1 26 26 PHE HE2 H 1 6.989 0.02 . 3 . . . . 26 PHE HE2 . 6913 1 293 . 1 1 26 26 PHE C C 13 172.653 0.02 . 1 . . . . 26 PHE C . 6913 1 294 . 1 1 26 26 PHE CA C 13 56.214 0.02 . 1 . . . . 26 PHE CA . 6913 1 295 . 1 1 26 26 PHE CB C 13 37.792 0.02 . 1 . . . . 26 PHE CB . 6913 1 296 . 1 1 26 26 PHE CD1 C 13 129.862 0.02 . 1 . . . . 26 PHE CD1 . 6913 1 297 . 1 1 26 26 PHE CD2 C 13 129.862 0.02 . 1 . . . . 26 PHE CD2 . 6913 1 298 . 1 1 26 26 PHE CE1 C 13 128.290 0.02 . 1 . . . . 26 PHE CE1 . 6913 1 299 . 1 1 26 26 PHE CE2 C 13 128.290 0.02 . 1 . . . . 26 PHE CE2 . 6913 1 300 . 1 1 26 26 PHE N N 15 128.333 0.02 . 1 . . . . 26 PHE N . 6913 1 301 . 1 1 27 27 PHE H H 1 8.790 0.02 . 1 . . . . 27 PHE HN . 6913 1 302 . 1 1 27 27 PHE HA H 1 5.403 0.02 . 1 . . . . 27 PHE HA . 6913 1 303 . 1 1 27 27 PHE HB2 H 1 3.084 0.02 . 2 . . . . 27 PHE HB1 . 6913 1 304 . 1 1 27 27 PHE HB3 H 1 2.950 0.02 . 2 . . . . 27 PHE HB2 . 6913 1 305 . 1 1 27 27 PHE HD1 H 1 6.928 0.02 . 1 . . . . 27 PHE HD1 . 6913 1 306 . 1 1 27 27 PHE HD2 H 1 6.928 0.02 . 1 . . . . 27 PHE HD2 . 6913 1 307 . 1 1 27 27 PHE HE1 H 1 6.999 0.02 . 3 . . . . 27 PHE HE1 . 6913 1 308 . 1 1 27 27 PHE HE2 H 1 6.928 0.02 . 3 . . . . 27 PHE HE2 . 6913 1 309 . 1 1 27 27 PHE C C 13 172.662 0.02 . 1 . . . . 27 PHE C . 6913 1 310 . 1 1 27 27 PHE CA C 13 50.962 0.02 . 1 . . . . 27 PHE CA . 6913 1 311 . 1 1 27 27 PHE CB C 13 42.004 0.02 . 1 . . . . 27 PHE CB . 6913 1 312 . 1 1 27 27 PHE CD1 C 13 130.189 0.02 . 1 . . . . 27 PHE CD1 . 6913 1 313 . 1 1 27 27 PHE CD2 C 13 130.189 0.02 . 1 . . . . 27 PHE CD2 . 6913 1 314 . 1 1 27 27 PHE CE1 C 13 130.132 0.02 . 1 . . . . 27 PHE CE1 . 6913 1 315 . 1 1 27 27 PHE CE2 C 13 130.132 0.02 . 1 . . . . 27 PHE CE2 . 6913 1 316 . 1 1 27 27 PHE N N 15 121.590 0.02 . 1 . . . . 27 PHE N . 6913 1 317 . 1 1 28 28 ALA H H 1 6.332 0.02 . 1 . . . . 28 ALA HN . 6913 1 318 . 1 1 28 28 ALA HA H 1 4.591 0.02 . 1 . . . . 28 ALA HA . 6913 1 319 . 1 1 28 28 ALA HB1 H 1 0.200 0.02 . 1 . . . . 28 ALA HB1 . 6913 1 320 . 1 1 28 28 ALA HB2 H 1 0.200 0.02 . 1 . . . . 28 ALA HB1 . 6913 1 321 . 1 1 28 28 ALA HB3 H 1 0.200 0.02 . 1 . . . . 28 ALA HB1 . 6913 1 322 . 1 1 28 28 ALA C C 13 168.764 0.02 . 1 . . . . 28 ALA C . 6913 1 323 . 1 1 28 28 ALA CA C 13 48.770 0.02 . 1 . . . . 28 ALA CA . 6913 1 324 . 1 1 28 28 ALA CB C 13 20.224 0.02 . 1 . . . . 28 ALA CB . 6913 1 325 . 1 1 28 28 ALA N N 15 116.709 0.02 . 1 . . . . 28 ALA N . 6913 1 326 . 1 1 29 29 THR H H 1 10.017 0.02 . 1 . . . . 29 THR HN . 6913 1 327 . 1 1 29 29 THR HA H 1 4.052 0.02 . 1 . . . . 29 THR HA . 6913 1 328 . 1 1 29 29 THR HB H 1 4.356 0.02 . 1 . . . . 29 THR HB . 6913 1 329 . 1 1 29 29 THR HG21 H 1 1.487 0.02 . 1 . . . . 29 THR HG21 . 6913 1 330 . 1 1 29 29 THR HG22 H 1 1.487 0.02 . 1 . . . . 29 THR HG21 . 6913 1 331 . 1 1 29 29 THR HG23 H 1 1.487 0.02 . 1 . . . . 29 THR HG21 . 6913 1 332 . 1 1 29 29 THR C C 13 177.284 0.02 . 1 . . . . 29 THR C . 6913 1 333 . 1 1 29 29 THR CA C 13 63.045 0.02 . 1 . . . . 29 THR CA . 6913 1 334 . 1 1 29 29 THR CB C 13 66.710 0.02 . 1 . . . . 29 THR CB . 6913 1 335 . 1 1 29 29 THR CG2 C 13 22.117 0.02 . 1 . . . . 29 THR CG2 . 6913 1 336 . 1 1 29 29 THR N N 15 118.350 0.02 . 1 . . . . 29 THR N . 6913 1 337 . 1 1 30 30 TRP H H 1 6.500 0.02 . 1 . . . . 30 TRP HN . 6913 1 338 . 1 1 30 30 TRP HA H 1 4.655 0.02 . 1 . . . . 30 TRP HA . 6913 1 339 . 1 1 30 30 TRP HB2 H 1 3.159 0.02 . 2 . . . . 30 TRP HB1 . 6913 1 340 . 1 1 30 30 TRP HB3 H 1 3.751 0.02 . 2 . . . . 30 TRP HB2 . 6913 1 341 . 1 1 30 30 TRP HD1 H 1 7.292 0.02 . 1 . . . . 30 TRP HD1 . 6913 1 342 . 1 1 30 30 TRP HE1 H 1 11.367 0.02 . 1 . . . . 30 TRP HE1 . 6913 1 343 . 1 1 30 30 TRP HE3 H 1 7.334 0.02 . 1 . . . . 30 TRP HE3 . 6913 1 344 . 1 1 30 30 TRP HZ2 H 1 7.402 0.02 . 1 . . . . 30 TRP HZ2 . 6913 1 345 . 1 1 30 30 TRP HZ3 H 1 7.076 0.02 . 1 . . . . 30 TRP HZ3 . 6913 1 346 . 1 1 30 30 TRP HH2 H 1 7.164 0.02 . 1 . . . . 30 TRP HH2 . 6913 1 347 . 1 1 30 30 TRP C C 13 172.617 0.02 . 1 . . . . 30 TRP C . 6913 1 348 . 1 1 30 30 TRP CA C 13 51.369 0.02 . 1 . . . . 30 TRP CA . 6913 1 349 . 1 1 30 30 TRP CB C 13 26.861 0.02 . 1 . . . . 30 TRP CB . 6913 1 350 . 1 1 30 30 TRP CE3 C 13 118.600 0.02 . 1 . . . . 30 TRP CE3 . 6913 1 351 . 1 1 30 30 TRP CZ2 C 13 112.790 0.02 . 1 . . . . 30 TRP CZ2 . 6913 1 352 . 1 1 30 30 TRP CZ3 C 13 119.380 0.02 . 1 . . . . 30 TRP CZ3 . 6913 1 353 . 1 1 30 30 TRP CH2 C 13 123.042 0.02 . 1 . . . . 30 TRP CH2 . 6913 1 354 . 1 1 30 30 TRP N N 15 115.069 0.02 . 1 . . . . 30 TRP N . 6913 1 355 . 1 1 30 30 TRP NE1 N 15 135.303 0.02 . 1 . . . . 30 TRP NE1 . 6913 1 356 . 1 1 31 31 CYS H H 1 6.423 0.02 . 1 . . . . 31 CYS HN . 6913 1 357 . 1 1 31 31 CYS HA H 1 4.493 0.02 . 1 . . . . 31 CYS HA . 6913 1 358 . 1 1 31 31 CYS HB2 H 1 1.675 0.02 . 2 . . . . 31 CYS HB1 . 6913 1 359 . 1 1 31 31 CYS HB3 H 1 2.540 0.02 . 2 . . . . 31 CYS HB2 . 6913 1 360 . 1 1 31 31 CYS CA C 13 56.712 0.02 . 1 . . . . 31 CYS CA . 6913 1 361 . 1 1 31 31 CYS CB C 13 26.898 0.02 . 1 . . . . 31 CYS CB . 6913 1 362 . 1 1 31 31 CYS N N 15 124.125 0.02 . 1 . . . . 31 CYS N . 6913 1 363 . 1 1 32 32 GLY H H 1 8.800 0.02 . 1 . . . . 32 GLY HN . 6913 1 364 . 1 1 32 32 GLY HA2 H 1 3.957 0.02 . 2 . . . . 32 GLY HA1 . 6913 1 365 . 1 1 32 32 GLY HA3 H 1 4.264 0.02 . 2 . . . . 32 GLY HA2 . 6913 1 366 . 1 1 32 32 GLY CA C 13 46.346 0.02 . 1 . . . . 32 GLY CA . 6913 1 367 . 1 1 32 32 GLY N N 15 110.600 0.02 . 1 . . . . 32 GLY N . 6913 1 368 . 1 1 33 33 PRO HA H 1 4.313 0.02 . 1 . . . . 33 PRO HA . 6913 1 369 . 1 1 33 33 PRO HB2 H 1 2.844 0.02 . 2 . . . . 33 PRO HB1 . 6913 1 370 . 1 1 33 33 PRO HB3 H 1 2.080 0.02 . 2 . . . . 33 PRO HB2 . 6913 1 371 . 1 1 33 33 PRO HG2 H 1 1.755 0.02 . 1 . . . . 33 PRO HG1 . 6913 1 372 . 1 1 33 33 PRO HG3 H 1 1.755 0.02 . 1 . . . . 33 PRO HG2 . 6913 1 373 . 1 1 33 33 PRO HD2 H 1 3.390 0.02 . 2 . . . . 33 PRO HD1 . 6913 1 374 . 1 1 33 33 PRO HD3 H 1 3.508 0.02 . 2 . . . . 33 PRO HD2 . 6913 1 375 . 1 1 33 33 PRO CA C 13 62.909 0.02 . 1 . . . . 33 PRO CA . 6913 1 376 . 1 1 33 33 PRO CB C 13 30.517 0.02 . 1 . . . . 33 PRO CB . 6913 1 377 . 1 1 33 33 PRO CG C 13 22.600 0.02 . 1 . . . . 33 PRO CG . 6913 1 378 . 1 1 33 33 PRO CD C 13 48.240 0.02 . 1 . . . . 33 PRO CD . 6913 1 379 . 1 1 34 34 CYS H H 1 8.470 0.02 . 1 . . . . 34 CYS HN . 6913 1 380 . 1 1 34 34 CYS HA H 1 5.083 0.02 . 1 . . . . 34 CYS HA . 6913 1 381 . 1 1 34 34 CYS HB2 H 1 2.050 0.02 . 2 . . . . 34 CYS HB1 . 6913 1 382 . 1 1 34 34 CYS HB3 H 1 2.851 0.02 . 2 . . . . 34 CYS HB2 . 6913 1 383 . 1 1 34 34 CYS C C 13 175.470 0.02 . 1 . . . . 34 CYS C . 6913 1 384 . 1 1 34 34 CYS CA C 13 63.452 0.02 . 1 . . . . 34 CYS CA . 6913 1 385 . 1 1 34 34 CYS CB C 13 32.440 0.02 . 1 . . . . 34 CYS CB . 6913 1 386 . 1 1 34 34 CYS N N 15 110.600 0.02 . 1 . . . . 34 CYS N . 6913 1 387 . 1 1 35 35 LYS H H 1 7.370 0.02 . 1 . . . . 35 LYS HN . 6913 1 388 . 1 1 35 35 LYS HA H 1 4.404 0.02 . 1 . . . . 35 LYS HA . 6913 1 389 . 1 1 35 35 LYS HB2 H 1 2.100 0.02 . 2 . . . . 35 LYS HB1 . 6913 1 390 . 1 1 35 35 LYS HB3 H 1 1.921 0.02 . 2 . . . . 35 LYS HB2 . 6913 1 391 . 1 1 35 35 LYS HG2 H 1 1.410 0.02 . 1 . . . . 35 LYS HG1 . 6913 1 392 . 1 1 35 35 LYS HG3 H 1 1.410 0.02 . 1 . . . . 35 LYS HG2 . 6913 1 393 . 1 1 35 35 LYS C C 13 170.764 0.02 . 1 . . . . 35 LYS C . 6913 1 394 . 1 1 35 35 LYS CA C 13 57.390 0.02 . 1 . . . . 35 LYS CA . 6913 1 395 . 1 1 35 35 LYS CB C 13 30.000 0.02 . 1 . . . . 35 LYS CB . 6913 1 396 . 1 1 35 35 LYS CG C 13 23.078 0.02 . 1 . . . . 35 LYS CG . 6913 1 397 . 1 1 35 35 LYS N N 15 116.765 0.02 . 1 . . . . 35 LYS N . 6913 1 398 . 1 1 36 36 MET H H 1 7.499 0.02 . 1 . . . . 36 MET HN . 6913 1 399 . 1 1 36 36 MET HA H 1 4.234 0.02 . 1 . . . . 36 MET HA . 6913 1 400 . 1 1 36 36 MET HB2 H 1 2.294 0.02 . 2 . . . . 36 MET HB1 . 6913 1 401 . 1 1 36 36 MET HB3 H 1 2.233 0.02 . 2 . . . . 36 MET HB2 . 6913 1 402 . 1 1 36 36 MET HG2 H 1 2.572 0.02 . 2 . . . . 36 MET HG1 . 6913 1 403 . 1 1 36 36 MET HG3 H 1 2.736 0.02 . 2 . . . . 36 MET HG2 . 6913 1 404 . 1 1 36 36 MET C C 13 176.646 0.02 . 1 . . . . 36 MET C . 6913 1 405 . 1 1 36 36 MET CA C 13 55.610 0.02 . 1 . . . . 36 MET CA . 6913 1 406 . 1 1 36 36 MET CB C 13 30.130 0.02 . 1 . . . . 36 MET CB . 6913 1 407 . 1 1 36 36 MET CG C 13 30.177 0.02 . 1 . . . . 36 MET CG . 6913 1 408 . 1 1 36 36 MET N N 15 116.490 0.02 . 1 . . . . 36 MET N . 6913 1 409 . 1 1 37 37 ILE H H 1 7.419 0.02 . 1 . . . . 37 ILE HN . 6913 1 410 . 1 1 37 37 ILE HA H 1 4.429 0.02 . 1 . . . . 37 ILE HA . 6913 1 411 . 1 1 37 37 ILE HB H 1 1.952 0.02 . 1 . . . . 37 ILE HB . 6913 1 412 . 1 1 37 37 ILE HG12 H 1 1.522 0.02 . 1 . . . . 37 ILE HG11 . 6913 1 413 . 1 1 37 37 ILE HG13 H 1 1.593 0.02 . 1 . . . . 37 ILE HG12 . 6913 1 414 . 1 1 37 37 ILE HG21 H 1 0.829 0.02 . 1 . . . . 37 ILE HG21 . 6913 1 415 . 1 1 37 37 ILE HG22 H 1 0.829 0.02 . 1 . . . . 37 ILE HG21 . 6913 1 416 . 1 1 37 37 ILE HG23 H 1 0.829 0.02 . 1 . . . . 37 ILE HG21 . 6913 1 417 . 1 1 37 37 ILE HD11 H 1 0.922 0.02 . 1 . . . . 37 ILE HD11 . 6913 1 418 . 1 1 37 37 ILE HD12 H 1 0.922 0.02 . 1 . . . . 37 ILE HD11 . 6913 1 419 . 1 1 37 37 ILE HD13 H 1 0.922 0.02 . 1 . . . . 37 ILE HD11 . 6913 1 420 . 1 1 37 37 ILE C C 13 175.743 0.02 . 1 . . . . 37 ILE C . 6913 1 421 . 1 1 37 37 ILE CA C 13 58.353 0.02 . 1 . . . . 37 ILE CA . 6913 1 422 . 1 1 37 37 ILE CB C 13 36.740 0.02 . 1 . . . . 37 ILE CB . 6913 1 423 . 1 1 37 37 ILE CG1 C 13 25.646 0.02 . 1 . . . . 37 ILE CG1 . 6913 1 424 . 1 1 37 37 ILE CG2 C 13 15.798 0.02 . 1 . . . . 37 ILE CG2 . 6913 1 425 . 1 1 37 37 ILE CD1 C 13 16.037 0.02 . 1 . . . . 37 ILE CD1 . 6913 1 426 . 1 1 37 37 ILE N N 15 112.334 0.02 . 1 . . . . 37 ILE N . 6913 1 427 . 1 1 38 38 ALA H H 1 7.369 0.02 . 1 . . . . 38 ALA HN . 6913 1 428 . 1 1 38 38 ALA HA H 1 4.089 0.02 . 1 . . . . 38 ALA HA . 6913 1 429 . 1 1 38 38 ALA HB1 H 1 1.423 0.02 . 1 . . . . 38 ALA HB1 . 6913 1 430 . 1 1 38 38 ALA HB2 H 1 1.423 0.02 . 1 . . . . 38 ALA HB1 . 6913 1 431 . 1 1 38 38 ALA HB3 H 1 1.423 0.02 . 1 . . . . 38 ALA HB1 . 6913 1 432 . 1 1 38 38 ALA C C 13 174.623 0.02 . 1 . . . . 38 ALA C . 6913 1 433 . 1 1 38 38 ALA CA C 13 55.084 0.02 . 1 . . . . 38 ALA CA . 6913 1 434 . 1 1 38 38 ALA CB C 13 14.089 0.02 . 1 . . . . 38 ALA CB . 6913 1 435 . 1 1 38 38 ALA N N 15 126.008 0.02 . 1 . . . . 38 ALA N . 6913 1 436 . 1 1 39 39 PRO HA H 1 4.322 0.02 . 1 . . . . 39 PRO HA . 6913 1 437 . 1 1 39 39 PRO HB2 H 1 2.310 0.02 . 1 . . . . 39 PRO HB1 . 6913 1 438 . 1 1 39 39 PRO HB3 H 1 2.310 0.02 . 1 . . . . 39 PRO HB2 . 6913 1 439 . 1 1 39 39 PRO HG2 H 1 1.997 0.02 . 1 . . . . 39 PRO HG1 . 6913 1 440 . 1 1 39 39 PRO HG3 H 1 1.997 0.02 . 1 . . . . 39 PRO HG2 . 6913 1 441 . 1 1 39 39 PRO HD2 H 1 3.732 0.02 . 2 . . . . 39 PRO HD1 . 6913 1 442 . 1 1 39 39 PRO HD3 H 1 3.648 0.02 . 2 . . . . 39 PRO HD2 . 6913 1 443 . 1 1 39 39 PRO CA C 13 63.145 0.02 . 1 . . . . 39 PRO CA . 6913 1 444 . 1 1 39 39 PRO CB C 13 29.160 0.02 . 1 . . . . 39 PRO CB . 6913 1 445 . 1 1 39 39 PRO CG C 13 26.001 0.02 . 1 . . . . 39 PRO CG . 6913 1 446 . 1 1 39 39 PRO CD C 13 48.333 0.02 . 1 . . . . 39 PRO CD . 6913 1 447 . 1 1 40 40 MET H H 1 7.099 0.02 . 1 . . . . 40 MET HN . 6913 1 448 . 1 1 40 40 MET HA H 1 3.896 0.02 . 1 . . . . 40 MET HA . 6913 1 449 . 1 1 40 40 MET HB2 H 1 2.448 0.02 . 2 . . . . 40 MET HB1 . 6913 1 450 . 1 1 40 40 MET HB3 H 1 2.330 0.02 . 2 . . . . 40 MET HB2 . 6913 1 451 . 1 1 40 40 MET HG2 H 1 2.169 0.02 . 1 . . . . 40 MET HG1 . 6913 1 452 . 1 1 40 40 MET HG3 H 1 2.169 0.02 . 1 . . . . 40 MET HG2 . 6913 1 453 . 1 1 40 40 MET C C 13 176.980 0.02 . 1 . . . . 40 MET C . 6913 1 454 . 1 1 40 40 MET CA C 13 55.394 0.02 . 1 . . . . 40 MET CA . 6913 1 455 . 1 1 40 40 MET CB C 13 30.250 0.02 . 1 . . . . 40 MET CB . 6913 1 456 . 1 1 40 40 MET CG C 13 29.162 0.02 . 1 . . . . 40 MET CG . 6913 1 457 . 1 1 40 40 MET N N 15 117.100 0.02 . 1 . . . . 40 MET N . 6913 1 458 . 1 1 41 41 ILE H H 1 7.873 0.02 . 1 . . . . 41 ILE HN . 6913 1 459 . 1 1 41 41 ILE HA H 1 3.570 0.02 . 1 . . . . 41 ILE HA . 6913 1 460 . 1 1 41 41 ILE HB H 1 2.125 0.02 . 1 . . . . 41 ILE HB . 6913 1 461 . 1 1 41 41 ILE HG12 H 1 1.586 0.02 . 1 . . . . 41 ILE HG11 . 6913 1 462 . 1 1 41 41 ILE HG13 H 1 1.522 0.02 . 1 . . . . 41 ILE HG12 . 6913 1 463 . 1 1 41 41 ILE HG21 H 1 0.964 0.02 . 1 . . . . 41 ILE HG21 . 6913 1 464 . 1 1 41 41 ILE HG22 H 1 0.964 0.02 . 1 . . . . 41 ILE HG21 . 6913 1 465 . 1 1 41 41 ILE HG23 H 1 0.964 0.02 . 1 . . . . 41 ILE HG21 . 6913 1 466 . 1 1 41 41 ILE HD11 H 1 0.892 0.02 . 1 . . . . 41 ILE HD11 . 6913 1 467 . 1 1 41 41 ILE HD12 H 1 0.892 0.02 . 1 . . . . 41 ILE HD11 . 6913 1 468 . 1 1 41 41 ILE HD13 H 1 0.892 0.02 . 1 . . . . 41 ILE HD11 . 6913 1 469 . 1 1 41 41 ILE C C 13 175.298 0.02 . 1 . . . . 41 ILE C . 6913 1 470 . 1 1 41 41 ILE CA C 13 61.480 0.02 . 1 . . . . 41 ILE CA . 6913 1 471 . 1 1 41 41 ILE CB C 13 33.556 0.02 . 1 . . . . 41 ILE CB . 6913 1 472 . 1 1 41 41 ILE CG1 C 13 25.576 0.02 . 1 . . . . 41 ILE CG1 . 6913 1 473 . 1 1 41 41 ILE CG2 C 13 15.847 0.02 . 1 . . . . 41 ILE CG2 . 6913 1 474 . 1 1 41 41 ILE CD1 C 13 9.475 0.02 . 1 . . . . 41 ILE CD1 . 6913 1 475 . 1 1 41 41 ILE N N 15 118.600 0.02 . 1 . . . . 41 ILE N . 6913 1 476 . 1 1 42 42 GLU H H 1 7.267 0.02 . 1 . . . . 42 GLU HN . 6913 1 477 . 1 1 42 42 GLU HA H 1 3.627 0.02 . 1 . . . . 42 GLU HA . 6913 1 478 . 1 1 42 42 GLU HB2 H 1 1.939 0.02 . 2 . . . . 42 GLU HB1 . 6913 1 479 . 1 1 42 42 GLU HB3 H 1 1.977 0.02 . 2 . . . . 42 GLU HB2 . 6913 1 480 . 1 1 42 42 GLU HG2 H 1 2.271 0.02 . 2 . . . . 42 GLU HG1 . 6913 1 481 . 1 1 42 42 GLU HG3 H 1 2.110 0.02 . 2 . . . . 42 GLU HG2 . 6913 1 482 . 1 1 42 42 GLU C C 13 171.917 0.02 . 1 . . . . 42 GLU C . 6913 1 483 . 1 1 42 42 GLU CA C 13 57.604 0.02 . 1 . . . . 42 GLU CA . 6913 1 484 . 1 1 42 42 GLU CB C 13 26.847 0.02 . 1 . . . . 42 GLU CB . 6913 1 485 . 1 1 42 42 GLU CG C 13 33.948 0.02 . 1 . . . . 42 GLU CG . 6913 1 486 . 1 1 42 42 GLU N N 15 117.300 0.02 . 1 . . . . 42 GLU N . 6913 1 487 . 1 1 43 43 LYS H H 1 7.097 0.02 . 1 . . . . 43 LYS HN . 6913 1 488 . 1 1 43 43 LYS HA H 1 4.040 0.02 . 1 . . . . 43 LYS HA . 6913 1 489 . 1 1 43 43 LYS HB2 H 1 1.759 0.02 . 1 . . . . 43 LYS HB1 . 6913 1 490 . 1 1 43 43 LYS HB3 H 1 1.759 0.02 . 1 . . . . 43 LYS HB2 . 6913 1 491 . 1 1 43 43 LYS HG2 H 1 1.438 0.02 . 1 . . . . 43 LYS HG1 . 6913 1 492 . 1 1 43 43 LYS HG3 H 1 1.438 0.02 . 1 . . . . 43 LYS HG2 . 6913 1 493 . 1 1 43 43 LYS HD2 H 1 1.615 0.02 . 1 . . . . 43 LYS HD1 . 6913 1 494 . 1 1 43 43 LYS HD3 H 1 1.615 0.02 . 1 . . . . 43 LYS HD2 . 6913 1 495 . 1 1 43 43 LYS HE2 H 1 2.886 0.02 . 1 . . . . 43 LYS HE1 . 6913 1 496 . 1 1 43 43 LYS HE3 H 1 2.886 0.02 . 1 . . . . 43 LYS HE2 . 6913 1 497 . 1 1 43 43 LYS C C 13 176.219 0.02 . 1 . . . . 43 LYS C . 6913 1 498 . 1 1 43 43 LYS CA C 13 56.287 0.02 . 1 . . . . 43 LYS CA . 6913 1 499 . 1 1 43 43 LYS CB C 13 29.006 0.02 . 1 . . . . 43 LYS CB . 6913 1 500 . 1 1 43 43 LYS CG C 13 22.156 0.02 . 1 . . . . 43 LYS CG . 6913 1 501 . 1 1 43 43 LYS CD C 13 26.300 0.02 . 1 . . . . 43 LYS CD . 6913 1 502 . 1 1 43 43 LYS CE C 13 40.100 0.02 . 1 . . . . 43 LYS CE . 6913 1 503 . 1 1 43 43 LYS N N 15 118.834 0.02 . 1 . . . . 43 LYS N . 6913 1 504 . 1 1 44 44 PHE H H 1 8.298 0.02 . 1 . . . . 44 PHE HN . 6913 1 505 . 1 1 44 44 PHE HA H 1 4.733 0.02 . 1 . . . . 44 PHE HA . 6913 1 506 . 1 1 44 44 PHE HB2 H 1 3.005 0.02 . 2 . . . . 44 PHE HB1 . 6913 1 507 . 1 1 44 44 PHE HB3 H 1 3.219 0.02 . 2 . . . . 44 PHE HB2 . 6913 1 508 . 1 1 44 44 PHE HD1 H 1 7.155 0.02 . 1 . . . . 44 PHE HD1 . 6913 1 509 . 1 1 44 44 PHE HD2 H 1 7.155 0.02 . 1 . . . . 44 PHE HD2 . 6913 1 510 . 1 1 44 44 PHE HE1 H 1 7.271 0.02 . 1 . . . . 44 PHE HE1 . 6913 1 511 . 1 1 44 44 PHE HE2 H 1 7.271 0.02 . 1 . . . . 44 PHE HE2 . 6913 1 512 . 1 1 44 44 PHE C C 13 177.796 0.02 . 1 . . . . 44 PHE C . 6913 1 513 . 1 1 44 44 PHE CA C 13 55.921 0.02 . 1 . . . . 44 PHE CA . 6913 1 514 . 1 1 44 44 PHE CB C 13 35.507 0.02 . 1 . . . . 44 PHE CB . 6913 1 515 . 1 1 44 44 PHE CD1 C 13 131.306 0.02 . 1 . . . . 44 PHE CD1 . 6913 1 516 . 1 1 44 44 PHE CD2 C 13 131.306 0.02 . 1 . . . . 44 PHE CD2 . 6913 1 517 . 1 1 44 44 PHE CE1 C 13 127.819 0.02 . 1 . . . . 44 PHE CE1 . 6913 1 518 . 1 1 44 44 PHE CE2 C 13 127.819 0.02 . 1 . . . . 44 PHE CE2 . 6913 1 519 . 1 1 44 44 PHE N N 15 120.363 0.02 . 1 . . . . 44 PHE N . 6913 1 520 . 1 1 45 45 ALA H H 1 7.955 0.02 . 1 . . . . 45 ALA HN . 6913 1 521 . 1 1 45 45 ALA HA H 1 3.541 0.02 . 1 . . . . 45 ALA HA . 6913 1 522 . 1 1 45 45 ALA HB1 H 1 0.832 0.02 . 1 . . . . 45 ALA HB1 . 6913 1 523 . 1 1 45 45 ALA HB2 H 1 0.832 0.02 . 1 . . . . 45 ALA HB1 . 6913 1 524 . 1 1 45 45 ALA HB3 H 1 0.832 0.02 . 1 . . . . 45 ALA HB1 . 6913 1 525 . 1 1 45 45 ALA C C 13 174.543 0.02 . 1 . . . . 45 ALA C . 6913 1 526 . 1 1 45 45 ALA CA C 13 52.056 0.02 . 1 . . . . 45 ALA CA . 6913 1 527 . 1 1 45 45 ALA CB C 13 15.908 0.02 . 1 . . . . 45 ALA CB . 6913 1 528 . 1 1 45 45 ALA N N 15 121.490 0.02 . 1 . . . . 45 ALA N . 6913 1 529 . 1 1 46 46 GLU H H 1 7.174 0.02 . 1 . . . . 46 GLU HN . 6913 1 530 . 1 1 46 46 GLU HA H 1 4.030 0.02 . 1 . . . . 46 GLU HA . 6913 1 531 . 1 1 46 46 GLU HB2 H 1 2.164 0.02 . 2 . . . . 46 GLU HB1 . 6913 1 532 . 1 1 46 46 GLU HB3 H 1 2.078 0.02 . 2 . . . . 46 GLU HB2 . 6913 1 533 . 1 1 46 46 GLU HG2 H 1 2.424 0.02 . 1 . . . . 46 GLU HG1 . 6913 1 534 . 1 1 46 46 GLU HG3 H 1 2.424 0.02 . 1 . . . . 46 GLU HG2 . 6913 1 535 . 1 1 46 46 GLU C C 13 177.431 0.02 . 1 . . . . 46 GLU C . 6913 1 536 . 1 1 46 46 GLU CA C 13 55.744 0.02 . 1 . . . . 46 GLU CA . 6913 1 537 . 1 1 46 46 GLU CB C 13 27.817 0.02 . 1 . . . . 46 GLU CB . 6913 1 538 . 1 1 46 46 GLU CG C 13 34.154 0.02 . 1 . . . . 46 GLU CG . 6913 1 539 . 1 1 46 46 GLU N N 15 115.937 0.02 . 1 . . . . 46 GLU N . 6913 1 540 . 1 1 47 47 GLN H H 1 7.551 0.02 . 1 . . . . 47 GLN HN . 6913 1 541 . 1 1 47 47 GLN HA H 1 4.024 0.02 . 1 . . . . 47 GLN HA . 6913 1 542 . 1 1 47 47 GLN HB2 H 1 2.069 0.02 . 2 . . . . 47 GLN HB1 . 6913 1 543 . 1 1 47 47 GLN HB3 H 1 1.788 0.02 . 2 . . . . 47 GLN HB2 . 6913 1 544 . 1 1 47 47 GLN HG2 H 1 2.257 0.02 . 1 . . . . 47 GLN HG1 . 6913 1 545 . 1 1 47 47 GLN HG3 H 1 2.257 0.02 . 1 . . . . 47 GLN HG2 . 6913 1 546 . 1 1 47 47 GLN HE21 H 1 7.441 0.02 . 2 . . . . 47 GLN HE21 . 6913 1 547 . 1 1 47 47 GLN HE22 H 1 6.981 0.02 . 2 . . . . 47 GLN HE22 . 6913 1 548 . 1 1 47 47 GLN C C 13 175.473 0.02 . 1 . . . . 47 GLN C . 6913 1 549 . 1 1 47 47 GLN CA C 13 55.708 0.02 . 1 . . . . 47 GLN CA . 6913 1 550 . 1 1 47 47 GLN CB C 13 27.439 0.02 . 1 . . . . 47 GLN CB . 6913 1 551 . 1 1 47 47 GLN CG C 13 31.120 0.02 . 1 . . . . 47 GLN CG . 6913 1 552 . 1 1 47 47 GLN N N 15 117.896 0.02 . 1 . . . . 47 GLN N . 6913 1 553 . 1 1 47 47 GLN NE2 N 15 109.447 0.02 . 1 . . . . 47 GLN NE2 . 6913 1 554 . 1 1 48 48 TYR H H 1 8.401 0.02 . 1 . . . . 48 TYR HN . 6913 1 555 . 1 1 48 48 TYR HA H 1 4.937 0.02 . 1 . . . . 48 TYR HA . 6913 1 556 . 1 1 48 48 TYR HB2 H 1 3.009 0.02 . 2 . . . . 48 TYR HB1 . 6913 1 557 . 1 1 48 48 TYR HB3 H 1 3.122 0.02 . 2 . . . . 48 TYR HB2 . 6913 1 558 . 1 1 48 48 TYR HD1 H 1 7.355 0.02 . 3 . . . . 48 TYR HD1 . 6913 1 559 . 1 1 48 48 TYR HD2 H 1 7.374 0.02 . 3 . . . . 48 TYR HD2 . 6913 1 560 . 1 1 48 48 TYR HE1 H 1 6.632 0.02 . 1 . . . . 48 TYR HE1 . 6913 1 561 . 1 1 48 48 TYR HE2 H 1 6.632 0.02 . 1 . . . . 48 TYR HE2 . 6913 1 562 . 1 1 48 48 TYR C C 13 174.599 0.02 . 1 . . . . 48 TYR C . 6913 1 563 . 1 1 48 48 TYR CA C 13 55.026 0.02 . 1 . . . . 48 TYR CA . 6913 1 564 . 1 1 48 48 TYR CB C 13 33.491 0.02 . 1 . . . . 48 TYR CB . 6913 1 565 . 1 1 48 48 TYR CD1 C 13 131.544 0.02 . 3 . . . . 48 TYR CD1 . 6913 1 566 . 1 1 48 48 TYR CD2 C 13 129.468 0.02 . 3 . . . . 48 TYR CD2 . 6913 1 567 . 1 1 48 48 TYR CE1 C 13 115.384 0.02 . 1 . . . . 48 TYR CE1 . 6913 1 568 . 1 1 48 48 TYR CE2 C 13 115.384 0.02 . 1 . . . . 48 TYR CE2 . 6913 1 569 . 1 1 48 48 TYR N N 15 120.275 0.02 . 1 . . . . 48 TYR N . 6913 1 570 . 1 1 49 49 SER H H 1 7.593 0.02 . 1 . . . . 49 SER HN . 6913 1 571 . 1 1 49 49 SER HA H 1 4.517 0.02 . 1 . . . . 49 SER HA . 6913 1 572 . 1 1 49 49 SER HB2 H 1 3.958 0.02 . 2 . . . . 49 SER HB1 . 6913 1 573 . 1 1 49 49 SER HB3 H 1 4.128 0.02 . 2 . . . . 49 SER HB2 . 6913 1 574 . 1 1 49 49 SER C C 13 175.706 0.02 . 1 . . . . 49 SER C . 6913 1 575 . 1 1 49 49 SER CA C 13 58.034 0.02 . 1 . . . . 49 SER CA . 6913 1 576 . 1 1 49 49 SER CB C 13 60.871 0.02 . 1 . . . . 49 SER CB . 6913 1 577 . 1 1 49 49 SER N N 15 114.677 0.02 . 1 . . . . 49 SER N . 6913 1 578 . 1 1 50 50 ASP H H 1 8.826 0.02 . 1 . . . . 50 ASP HN . 6913 1 579 . 1 1 50 50 ASP HA H 1 4.832 0.02 . 1 . . . . 50 ASP HA . 6913 1 580 . 1 1 50 50 ASP HB2 H 1 2.689 0.02 . 2 . . . . 50 ASP HB1 . 6913 1 581 . 1 1 50 50 ASP HB3 H 1 2.946 0.02 . 2 . . . . 50 ASP HB2 . 6913 1 582 . 1 1 50 50 ASP C C 13 171.388 0.02 . 1 . . . . 50 ASP C . 6913 1 583 . 1 1 50 50 ASP CA C 13 52.480 0.02 . 1 . . . . 50 ASP CA . 6913 1 584 . 1 1 50 50 ASP CB C 13 38.542 0.02 . 1 . . . . 50 ASP CB . 6913 1 585 . 1 1 50 50 ASP N N 15 118.977 0.02 . 1 . . . . 50 ASP N . 6913 1 586 . 1 1 51 51 ALA H H 1 7.947 0.02 . 1 . . . . 51 ALA HN . 6913 1 587 . 1 1 51 51 ALA HA H 1 5.064 0.02 . 1 . . . . 51 ALA HA . 6913 1 588 . 1 1 51 51 ALA HB1 H 1 1.218 0.02 . 1 . . . . 51 ALA HB1 . 6913 1 589 . 1 1 51 51 ALA HB2 H 1 1.218 0.02 . 1 . . . . 51 ALA HB1 . 6913 1 590 . 1 1 51 51 ALA HB3 H 1 1.218 0.02 . 1 . . . . 51 ALA HB1 . 6913 1 591 . 1 1 51 51 ALA C C 13 172.511 0.02 . 1 . . . . 51 ALA C . 6913 1 592 . 1 1 51 51 ALA CA C 13 47.673 0.02 . 1 . . . . 51 ALA CA . 6913 1 593 . 1 1 51 51 ALA CB C 13 19.613 0.02 . 1 . . . . 51 ALA CB . 6913 1 594 . 1 1 51 51 ALA N N 15 122.609 0.02 . 1 . . . . 51 ALA N . 6913 1 595 . 1 1 52 52 ALA H H 1 8.783 0.02 . 1 . . . . 52 ALA HN . 6913 1 596 . 1 1 52 52 ALA HA H 1 4.862 0.02 . 1 . . . . 52 ALA HA . 6913 1 597 . 1 1 52 52 ALA HB1 H 1 1.442 0.02 . 1 . . . . 52 ALA HB1 . 6913 1 598 . 1 1 52 52 ALA HB2 H 1 1.442 0.02 . 1 . . . . 52 ALA HB1 . 6913 1 599 . 1 1 52 52 ALA HB3 H 1 1.442 0.02 . 1 . . . . 52 ALA HB1 . 6913 1 600 . 1 1 52 52 ALA C C 13 172.464 0.02 . 1 . . . . 52 ALA C . 6913 1 601 . 1 1 52 52 ALA CA C 13 48.566 0.02 . 1 . . . . 52 ALA CA . 6913 1 602 . 1 1 52 52 ALA CB C 13 19.239 0.02 . 1 . . . . 52 ALA CB . 6913 1 603 . 1 1 52 52 ALA N N 15 124.615 0.02 . 1 . . . . 52 ALA N . 6913 1 604 . 1 1 53 53 PHE H H 1 8.827 0.02 . 1 . . . . 53 PHE HN . 6913 1 605 . 1 1 53 53 PHE HA H 1 5.125 0.02 . 1 . . . . 53 PHE HA . 6913 1 606 . 1 1 53 53 PHE HB2 H 1 2.702 0.02 . 2 . . . . 53 PHE HB1 . 6913 1 607 . 1 1 53 53 PHE HB3 H 1 3.141 0.02 . 2 . . . . 53 PHE HB2 . 6913 1 608 . 1 1 53 53 PHE HD1 H 1 7.216 0.02 . 3 . . . . 53 PHE HD1 . 6913 1 609 . 1 1 53 53 PHE HD2 H 1 7.141 0.02 . 3 . . . . 53 PHE HD2 . 6913 1 610 . 1 1 53 53 PHE HE1 H 1 6.848 0.02 . 1 . . . . 53 PHE HE1 . 6913 1 611 . 1 1 53 53 PHE HE2 H 1 6.848 0.02 . 1 . . . . 53 PHE HE2 . 6913 1 612 . 1 1 53 53 PHE C C 13 172.609 0.02 . 1 . . . . 53 PHE C . 6913 1 613 . 1 1 53 53 PHE CA C 13 54.952 0.02 . 1 . . . . 53 PHE CA . 6913 1 614 . 1 1 53 53 PHE CB C 13 38.947 0.02 . 1 . . . . 53 PHE CB . 6913 1 615 . 1 1 53 53 PHE CD1 C 13 130.776 0.02 . 3 . . . . 53 PHE CD1 . 6913 1 616 . 1 1 53 53 PHE CD2 C 13 128.348 0.02 . 3 . . . . 53 PHE CD2 . 6913 1 617 . 1 1 53 53 PHE CE1 C 13 131.441 0.02 . 1 . . . . 53 PHE CE1 . 6913 1 618 . 1 1 53 53 PHE CE2 C 13 131.441 0.02 . 1 . . . . 53 PHE CE2 . 6913 1 619 . 1 1 53 53 PHE N N 15 119.991 0.02 . 1 . . . . 53 PHE N . 6913 1 620 . 1 1 54 54 TYR H H 1 9.300 0.02 . 1 . . . . 54 TYR HN . 6913 1 621 . 1 1 54 54 TYR HA H 1 5.715 0.02 . 1 . . . . 54 TYR HA . 6913 1 622 . 1 1 54 54 TYR HB2 H 1 2.634 0.02 . 2 . . . . 54 TYR HB1 . 6913 1 623 . 1 1 54 54 TYR HB3 H 1 3.064 0.02 . 2 . . . . 54 TYR HB2 . 6913 1 624 . 1 1 54 54 TYR HD1 H 1 6.924 0.02 . 3 . . . . 54 TYR HD1 . 6913 1 625 . 1 1 54 54 TYR HD2 H 1 6.884 0.02 . 3 . . . . 54 TYR HD2 . 6913 1 626 . 1 1 54 54 TYR HE1 H 1 6.683 0.02 . 3 . . . . 54 TYR HE1 . 6913 1 627 . 1 1 54 54 TYR HE2 H 1 6.837 0.02 . 3 . . . . 54 TYR HE2 . 6913 1 628 . 1 1 54 54 TYR CA C 13 54.022 0.02 . 1 . . . . 54 TYR CA . 6913 1 629 . 1 1 54 54 TYR CB C 13 42.113 0.02 . 1 . . . . 54 TYR CB . 6913 1 630 . 1 1 54 54 TYR CD1 C 13 131.687 0.02 . 3 . . . . 54 TYR CD1 . 6913 1 631 . 1 1 54 54 TYR CD2 C 13 127.996 0.02 . 3 . . . . 54 TYR CD2 . 6913 1 632 . 1 1 54 54 TYR CE1 C 13 115.899 0.02 . 3 . . . . 54 TYR CE1 . 6913 1 633 . 1 1 54 54 TYR CE2 C 13 116.460 0.02 . 3 . . . . 54 TYR CE2 . 6913 1 634 . 1 1 54 54 TYR N N 15 120.264 0.02 . 1 . . . . 54 TYR N . 6913 1 635 . 1 1 55 55 LYS H H 1 8.840 0.02 . 1 . . . . 55 LYS HN . 6913 1 636 . 1 1 55 55 LYS HA H 1 5.572 0.02 . 1 . . . . 55 LYS HA . 6913 1 637 . 1 1 55 55 LYS HB2 H 1 1.925 0.02 . 2 . . . . 55 LYS HB1 . 6913 1 638 . 1 1 55 55 LYS HB3 H 1 1.740 0.02 . 2 . . . . 55 LYS HB2 . 6913 1 639 . 1 1 55 55 LYS HG2 H 1 1.142 0.02 . 1 . . . . 55 LYS HG1 . 6913 1 640 . 1 1 55 55 LYS HG3 H 1 1.142 0.02 . 1 . . . . 55 LYS HG2 . 6913 1 641 . 1 1 55 55 LYS HD2 H 1 1.171 0.02 . 1 . . . . 55 LYS HD1 . 6913 1 642 . 1 1 55 55 LYS HD3 H 1 1.171 0.02 . 1 . . . . 55 LYS HD2 . 6913 1 643 . 1 1 55 55 LYS HE2 H 1 2.642 0.02 . 1 . . . . 55 LYS HE1 . 6913 1 644 . 1 1 55 55 LYS HE3 H 1 2.642 0.02 . 1 . . . . 55 LYS HE2 . 6913 1 645 . 1 1 55 55 LYS C C 13 172.542 0.02 . 1 . . . . 55 LYS C . 6913 1 646 . 1 1 55 55 LYS CA C 13 52.821 0.02 . 1 . . . . 55 LYS CA . 6913 1 647 . 1 1 55 55 LYS CB C 13 33.414 0.02 . 1 . . . . 55 LYS CB . 6913 1 648 . 1 1 55 55 LYS CG C 13 21.685 0.02 . 1 . . . . 55 LYS CG . 6913 1 649 . 1 1 55 55 LYS CD C 13 27.057 0.02 . 1 . . . . 55 LYS CD . 6913 1 650 . 1 1 55 55 LYS CE C 13 40.278 0.02 . 1 . . . . 55 LYS CE . 6913 1 651 . 1 1 55 55 LYS N N 15 117.422 0.02 . 1 . . . . 55 LYS N . 6913 1 652 . 1 1 56 56 LEU H H 1 9.210 0.02 . 1 . . . . 56 LEU HN . 6913 1 653 . 1 1 56 56 LEU HA H 1 4.452 0.02 . 1 . . . . 56 LEU HA . 6913 1 654 . 1 1 56 56 LEU HB2 H 1 1.042 0.02 . 2 . . . . 56 LEU HB1 . 6913 1 655 . 1 1 56 56 LEU HB3 H 1 0.926 0.02 . 2 . . . . 56 LEU HB2 . 6913 1 656 . 1 1 56 56 LEU HG H 1 1.346 0.02 . 1 . . . . 56 LEU HG . 6913 1 657 . 1 1 56 56 LEU HD11 H 1 0.621 0.02 . 2 . . . . 56 LEU HD11 . 6913 1 658 . 1 1 56 56 LEU HD12 H 1 0.621 0.02 . 2 . . . . 56 LEU HD11 . 6913 1 659 . 1 1 56 56 LEU HD13 H 1 0.621 0.02 . 2 . . . . 56 LEU HD11 . 6913 1 660 . 1 1 56 56 LEU HD21 H 1 0.651 0.02 . 2 . . . . 56 LEU HD21 . 6913 1 661 . 1 1 56 56 LEU HD22 H 1 0.651 0.02 . 2 . . . . 56 LEU HD21 . 6913 1 662 . 1 1 56 56 LEU HD23 H 1 0.651 0.02 . 2 . . . . 56 LEU HD21 . 6913 1 663 . 1 1 56 56 LEU C C 13 171.253 0.02 . 1 . . . . 56 LEU C . 6913 1 664 . 1 1 56 56 LEU CA C 13 53.805 0.02 . 1 . . . . 56 LEU CA . 6913 1 665 . 1 1 56 56 LEU CB C 13 43.715 0.02 . 1 . . . . 56 LEU CB . 6913 1 666 . 1 1 56 56 LEU CG C 13 24.887 0.02 . 1 . . . . 56 LEU CG . 6913 1 667 . 1 1 56 56 LEU CD1 C 13 19.400 0.02 . 1 . . . . 56 LEU CD1 . 6913 1 668 . 1 1 56 56 LEU CD2 C 13 19.400 0.02 . 1 . . . . 56 LEU CD2 . 6913 1 669 . 1 1 56 56 LEU N N 15 126.480 0.02 . 1 . . . . 56 LEU N . 6913 1 670 . 1 1 57 57 ASP H H 1 8.820 0.02 . 1 . . . . 57 ASP HN . 6913 1 671 . 1 1 57 57 ASP HA H 1 3.634 0.02 . 1 . . . . 57 ASP HA . 6913 1 672 . 1 1 57 57 ASP HB2 H 1 2.019 0.02 . 2 . . . . 57 ASP HB1 . 6913 1 673 . 1 1 57 57 ASP HB3 H 1 2.755 0.02 . 2 . . . . 57 ASP HB2 . 6913 1 674 . 1 1 57 57 ASP CA C 13 50.606 0.02 . 1 . . . . 57 ASP CA . 6913 1 675 . 1 1 57 57 ASP CB C 13 38.380 0.02 . 1 . . . . 57 ASP CB . 6913 1 676 . 1 1 57 57 ASP N N 15 128.232 0.02 . 1 . . . . 57 ASP N . 6913 1 677 . 1 1 58 58 VAL H H 1 8.714 0.02 . 1 . . . . 58 VAL HN . 6913 1 678 . 1 1 58 58 VAL HA H 1 3.573 0.02 . 1 . . . . 58 VAL HA . 6913 1 679 . 1 1 58 58 VAL HB H 1 2.130 0.02 . 1 . . . . 58 VAL HB . 6913 1 680 . 1 1 58 58 VAL HG11 H 1 0.906 0.02 . 2 . . . . 58 VAL HG11 . 6913 1 681 . 1 1 58 58 VAL HG12 H 1 0.906 0.02 . 2 . . . . 58 VAL HG11 . 6913 1 682 . 1 1 58 58 VAL HG13 H 1 0.906 0.02 . 2 . . . . 58 VAL HG11 . 6913 1 683 . 1 1 58 58 VAL HG21 H 1 1.143 0.02 . 2 . . . . 58 VAL HG21 . 6913 1 684 . 1 1 58 58 VAL HG22 H 1 1.143 0.02 . 2 . . . . 58 VAL HG21 . 6913 1 685 . 1 1 58 58 VAL HG23 H 1 1.143 0.02 . 2 . . . . 58 VAL HG21 . 6913 1 686 . 1 1 58 58 VAL C C 13 175.697 0.02 . 1 . . . . 58 VAL C . 6913 1 687 . 1 1 58 58 VAL CA C 13 61.994 0.02 . 1 . . . . 58 VAL CA . 6913 1 688 . 1 1 58 58 VAL CB C 13 28.627 0.02 . 1 . . . . 58 VAL CB . 6913 1 689 . 1 1 58 58 VAL CG1 C 13 15.959 0.02 . 1 . . . . 58 VAL CG1 . 6913 1 690 . 1 1 58 58 VAL CG2 C 13 20.444 0.02 . 1 . . . . 58 VAL CG2 . 6913 1 691 . 1 1 58 58 VAL N N 15 122.095 0.02 . 1 . . . . 58 VAL N . 6913 1 692 . 1 1 59 59 ASP H H 1 8.787 0.02 . 1 . . . . 59 ASP HN . 6913 1 693 . 1 1 59 59 ASP HA H 1 4.817 0.02 . 1 . . . . 59 ASP HA . 6913 1 694 . 1 1 59 59 ASP HB2 H 1 2.630 0.02 . 2 . . . . 59 ASP HB1 . 6913 1 695 . 1 1 59 59 ASP HB3 H 1 2.777 0.02 . 2 . . . . 59 ASP HB2 . 6913 1 696 . 1 1 59 59 ASP C C 13 174.395 0.02 . 1 . . . . 59 ASP C . 6913 1 697 . 1 1 59 59 ASP CA C 13 54.117 0.02 . 1 . . . . 59 ASP CA . 6913 1 698 . 1 1 59 59 ASP CB C 13 38.661 0.02 . 1 . . . . 59 ASP CB . 6913 1 699 . 1 1 59 59 ASP N N 15 118.968 0.02 . 1 . . . . 59 ASP N . 6913 1 700 . 1 1 60 60 GLU H H 1 7.631 0.02 . 1 . . . . 60 GLU HN . 6913 1 701 . 1 1 60 60 GLU HA H 1 4.340 0.02 . 1 . . . . 60 GLU HA . 6913 1 702 . 1 1 60 60 GLU HB2 H 1 2.250 0.02 . 2 . . . . 60 GLU HB1 . 6913 1 703 . 1 1 60 60 GLU HB3 H 1 2.009 0.02 . 2 . . . . 60 GLU HB2 . 6913 1 704 . 1 1 60 60 GLU HG2 H 1 2.296 0.02 . 1 . . . . 60 GLU HG1 . 6913 1 705 . 1 1 60 60 GLU HG3 H 1 2.296 0.02 . 1 . . . . 60 GLU HG2 . 6913 1 706 . 1 1 60 60 GLU C C 13 175.256 0.02 . 1 . . . . 60 GLU C . 6913 1 707 . 1 1 60 60 GLU CA C 13 56.762 0.02 . 1 . . . . 60 GLU CA . 6913 1 708 . 1 1 60 60 GLU CB C 13 31.912 0.02 . 1 . . . . 60 GLU CB . 6913 1 709 . 1 1 60 60 GLU CG C 13 34.235 0.02 . 1 . . . . 60 GLU CG . 6913 1 710 . 1 1 60 60 GLU N N 15 120.844 0.02 . 1 . . . . 60 GLU N . 6913 1 711 . 1 1 61 61 VAL H H 1 7.875 0.02 . 1 . . . . 61 VAL HN . 6913 1 712 . 1 1 61 61 VAL HA H 1 4.485 0.02 . 1 . . . . 61 VAL HA . 6913 1 713 . 1 1 61 61 VAL HB H 1 2.153 0.02 . 1 . . . . 61 VAL HB . 6913 1 714 . 1 1 61 61 VAL HG11 H 1 0.754 0.02 . 2 . . . . 61 VAL HG11 . 6913 1 715 . 1 1 61 61 VAL HG12 H 1 0.754 0.02 . 2 . . . . 61 VAL HG11 . 6913 1 716 . 1 1 61 61 VAL HG13 H 1 0.754 0.02 . 2 . . . . 61 VAL HG11 . 6913 1 717 . 1 1 61 61 VAL HG21 H 1 0.822 0.02 . 2 . . . . 61 VAL HG21 . 6913 1 718 . 1 1 61 61 VAL HG22 H 1 0.822 0.02 . 2 . . . . 61 VAL HG21 . 6913 1 719 . 1 1 61 61 VAL HG23 H 1 0.822 0.02 . 2 . . . . 61 VAL HG21 . 6913 1 720 . 1 1 61 61 VAL C C 13 174.727 0.02 . 1 . . . . 61 VAL C . 6913 1 721 . 1 1 61 61 VAL CA C 13 57.708 0.02 . 1 . . . . 61 VAL CA . 6913 1 722 . 1 1 61 61 VAL CB C 13 27.960 0.02 . 1 . . . . 61 VAL CB . 6913 1 723 . 1 1 61 61 VAL CG1 C 13 18.968 0.02 . 1 . . . . 61 VAL CG1 . 6913 1 724 . 1 1 61 61 VAL CG2 C 13 22.341 0.02 . 1 . . . . 61 VAL CG2 . 6913 1 725 . 1 1 61 61 VAL N N 15 122.309 0.02 . 1 . . . . 61 VAL N . 6913 1 726 . 1 1 62 62 SER H H 1 7.819 0.02 . 1 . . . . 62 SER HN . 6913 1 727 . 1 1 62 62 SER HA H 1 4.297 0.02 . 1 . . . . 62 SER HA . 6913 1 728 . 1 1 62 62 SER HB2 H 1 4.005 0.02 . 1 . . . . 62 SER HB1 . 6913 1 729 . 1 1 62 62 SER HB3 H 1 4.005 0.02 . 1 . . . . 62 SER HB2 . 6913 1 730 . 1 1 62 62 SER C C 13 174.150 0.02 . 1 . . . . 62 SER C . 6913 1 731 . 1 1 62 62 SER CA C 13 58.825 0.02 . 1 . . . . 62 SER CA . 6913 1 732 . 1 1 62 62 SER CB C 13 61.206 0.02 . 1 . . . . 62 SER CB . 6913 1 733 . 1 1 62 62 SER N N 15 117.740 0.02 . 1 . . . . 62 SER N . 6913 1 734 . 1 1 63 63 ASP H H 1 9.227 0.02 . 1 . . . . 63 ASP HN . 6913 1 735 . 1 1 63 63 ASP HA H 1 4.367 0.02 . 1 . . . . 63 ASP HA . 6913 1 736 . 1 1 63 63 ASP HB2 H 1 2.577 0.02 . 2 . . . . 63 ASP HB1 . 6913 1 737 . 1 1 63 63 ASP HB3 H 1 2.769 0.02 . 2 . . . . 63 ASP HB2 . 6913 1 738 . 1 1 63 63 ASP C C 13 174.506 0.02 . 1 . . . . 63 ASP C . 6913 1 739 . 1 1 63 63 ASP CA C 13 54.263 0.02 . 1 . . . . 63 ASP CA . 6913 1 740 . 1 1 63 63 ASP CB C 13 36.652 0.02 . 1 . . . . 63 ASP CB . 6913 1 741 . 1 1 63 63 ASP N N 15 120.537 0.02 . 1 . . . . 63 ASP N . 6913 1 742 . 1 1 64 64 VAL H H 1 7.280 0.02 . 1 . . . . 64 VAL HN . 6913 1 743 . 1 1 64 64 VAL HA H 1 3.481 0.02 . 1 . . . . 64 VAL HA . 6913 1 744 . 1 1 64 64 VAL HB H 1 1.702 0.02 . 1 . . . . 64 VAL HB . 6913 1 745 . 1 1 64 64 VAL HG11 H 1 -0.010 0.02 . 2 . . . . 64 VAL HG11 . 6913 1 746 . 1 1 64 64 VAL HG12 H 1 -0.010 0.02 . 2 . . . . 64 VAL HG11 . 6913 1 747 . 1 1 64 64 VAL HG13 H 1 -0.010 0.02 . 2 . . . . 64 VAL HG11 . 6913 1 748 . 1 1 64 64 VAL HG21 H 1 0.661 0.02 . 2 . . . . 64 VAL HG21 . 6913 1 749 . 1 1 64 64 VAL HG22 H 1 0.661 0.02 . 2 . . . . 64 VAL HG21 . 6913 1 750 . 1 1 64 64 VAL HG23 H 1 0.661 0.02 . 2 . . . . 64 VAL HG21 . 6913 1 751 . 1 1 64 64 VAL C C 13 177.219 0.02 . 1 . . . . 64 VAL C . 6913 1 752 . 1 1 64 64 VAL CA C 13 63.152 0.02 . 1 . . . . 64 VAL CA . 6913 1 753 . 1 1 64 64 VAL CB C 13 29.189 0.02 . 1 . . . . 64 VAL CB . 6913 1 754 . 1 1 64 64 VAL CG1 C 13 17.517 0.02 . 1 . . . . 64 VAL CG1 . 6913 1 755 . 1 1 64 64 VAL CG2 C 13 20.842 0.02 . 1 . . . . 64 VAL CG2 . 6913 1 756 . 1 1 64 64 VAL N N 15 120.425 0.02 . 1 . . . . 64 VAL N . 6913 1 757 . 1 1 65 65 ALA H H 1 7.122 0.02 . 1 . . . . 65 ALA HN . 6913 1 758 . 1 1 65 65 ALA HA H 1 3.850 0.02 . 1 . . . . 65 ALA HA . 6913 1 759 . 1 1 65 65 ALA HB1 H 1 1.517 0.02 . 1 . . . . 65 ALA HB1 . 6913 1 760 . 1 1 65 65 ALA HB2 H 1 1.517 0.02 . 1 . . . . 65 ALA HB1 . 6913 1 761 . 1 1 65 65 ALA HB3 H 1 1.517 0.02 . 1 . . . . 65 ALA HB1 . 6913 1 762 . 1 1 65 65 ALA C C 13 174.890 0.02 . 1 . . . . 65 ALA C . 6913 1 763 . 1 1 65 65 ALA CA C 13 53.550 0.02 . 1 . . . . 65 ALA CA . 6913 1 764 . 1 1 65 65 ALA CB C 13 15.968 0.02 . 1 . . . . 65 ALA CB . 6913 1 765 . 1 1 65 65 ALA N N 15 120.817 0.02 . 1 . . . . 65 ALA N . 6913 1 766 . 1 1 66 66 GLN H H 1 8.034 0.02 . 1 . . . . 66 GLN HN . 6913 1 767 . 1 1 66 66 GLN HA H 1 4.151 0.02 . 1 . . . . 66 GLN HA . 6913 1 768 . 1 1 66 66 GLN HB2 H 1 1.968 0.02 . 2 . . . . 66 GLN HB1 . 6913 1 769 . 1 1 66 66 GLN HB3 H 1 2.159 0.02 . 2 . . . . 66 GLN HB2 . 6913 1 770 . 1 1 66 66 GLN HG2 H 1 2.385 0.02 . 2 . . . . 66 GLN HG1 . 6913 1 771 . 1 1 66 66 GLN HG3 H 1 2.536 0.02 . 2 . . . . 66 GLN HG2 . 6913 1 772 . 1 1 66 66 GLN HE21 H 1 7.540 0.02 . 2 . . . . 66 GLN HE21 . 6913 1 773 . 1 1 66 66 GLN HE22 H 1 7.977 0.02 . 2 . . . . 66 GLN HE22 . 6913 1 774 . 1 1 66 66 GLN C C 13 176.077 0.02 . 1 . . . . 66 GLN C . 6913 1 775 . 1 1 66 66 GLN CA C 13 56.360 0.02 . 1 . . . . 66 GLN CA . 6913 1 776 . 1 1 66 66 GLN CB C 13 25.973 0.02 . 1 . . . . 66 GLN CB . 6913 1 777 . 1 1 66 66 GLN CG C 13 31.837 0.02 . 1 . . . . 66 GLN CG . 6913 1 778 . 1 1 66 66 GLN N N 15 115.223 0.02 . 1 . . . . 66 GLN N . 6913 1 779 . 1 1 66 66 GLN NE2 N 15 112.550 0.02 . 1 . . . . 66 GLN NE2 . 6913 1 780 . 1 1 67 67 LYS H H 1 7.874 0.02 . 1 . . . . 67 LYS HN . 6913 1 781 . 1 1 67 67 LYS HA H 1 4.075 0.02 . 1 . . . . 67 LYS HA . 6913 1 782 . 1 1 67 67 LYS HB2 H 1 1.945 0.02 . 1 . . . . 67 LYS HB1 . 6913 1 783 . 1 1 67 67 LYS HB3 H 1 1.945 0.02 . 1 . . . . 67 LYS HB2 . 6913 1 784 . 1 1 67 67 LYS HG2 H 1 1.580 0.02 . 2 . . . . 67 LYS HG1 . 6913 1 785 . 1 1 67 67 LYS HG3 H 1 1.537 0.02 . 2 . . . . 67 LYS HG2 . 6913 1 786 . 1 1 67 67 LYS HD2 H 1 1.709 0.02 . 1 . . . . 67 LYS HD1 . 6913 1 787 . 1 1 67 67 LYS HD3 H 1 1.709 0.02 . 1 . . . . 67 LYS HD2 . 6913 1 788 . 1 1 67 67 LYS HE2 H 1 3.037 0.02 . 1 . . . . 67 LYS HE1 . 6913 1 789 . 1 1 67 67 LYS HE3 H 1 3.037 0.02 . 1 . . . . 67 LYS HE2 . 6913 1 790 . 1 1 67 67 LYS C C 13 178.058 0.02 . 1 . . . . 67 LYS C . 6913 1 791 . 1 1 67 67 LYS CA C 13 56.947 0.02 . 1 . . . . 67 LYS CA . 6913 1 792 . 1 1 67 67 LYS CB C 13 30.100 0.02 . 1 . . . . 67 LYS CB . 6913 1 793 . 1 1 67 67 LYS CG C 13 22.870 0.02 . 1 . . . . 67 LYS CG . 6913 1 794 . 1 1 67 67 LYS CD C 13 27.420 0.02 . 1 . . . . 67 LYS CD . 6913 1 795 . 1 1 67 67 LYS CE C 13 40.100 0.02 . 1 . . . . 67 LYS CE . 6913 1 796 . 1 1 67 67 LYS N N 15 122.510 0.02 . 1 . . . . 67 LYS N . 6913 1 797 . 1 1 68 68 ALA H H 1 7.931 0.02 . 1 . . . . 68 ALA HN . 6913 1 798 . 1 1 68 68 ALA HA H 1 4.337 0.02 . 1 . . . . 68 ALA HA . 6913 1 799 . 1 1 68 68 ALA HB1 H 1 1.129 0.02 . 1 . . . . 68 ALA HB1 . 6913 1 800 . 1 1 68 68 ALA HB2 H 1 1.129 0.02 . 1 . . . . 68 ALA HB1 . 6913 1 801 . 1 1 68 68 ALA HB3 H 1 1.129 0.02 . 1 . . . . 68 ALA HB1 . 6913 1 802 . 1 1 68 68 ALA C C 13 175.680 0.02 . 1 . . . . 68 ALA C . 6913 1 803 . 1 1 68 68 ALA CA C 13 50.177 0.02 . 1 . . . . 68 ALA CA . 6913 1 804 . 1 1 68 68 ALA CB C 13 16.060 0.02 . 1 . . . . 68 ALA CB . 6913 1 805 . 1 1 68 68 ALA N N 15 119.610 0.02 . 1 . . . . 68 ALA N . 6913 1 806 . 1 1 69 69 GLU H H 1 7.670 0.02 . 1 . . . . 69 GLU HN . 6913 1 807 . 1 1 69 69 GLU HA H 1 3.791 0.02 . 1 . . . . 69 GLU HA . 6913 1 808 . 1 1 69 69 GLU HB2 H 1 2.066 0.02 . 2 . . . . 69 GLU HB1 . 6913 1 809 . 1 1 69 69 GLU HB3 H 1 2.169 0.02 . 2 . . . . 69 GLU HB2 . 6913 1 810 . 1 1 69 69 GLU HG2 H 1 2.155 0.02 . 1 . . . . 69 GLU HG1 . 6913 1 811 . 1 1 69 69 GLU HG3 H 1 2.155 0.02 . 1 . . . . 69 GLU HG2 . 6913 1 812 . 1 1 69 69 GLU C C 13 173.020 0.02 . 1 . . . . 69 GLU C . 6913 1 813 . 1 1 69 69 GLU CA C 13 55.276 0.02 . 1 . . . . 69 GLU CA . 6913 1 814 . 1 1 69 69 GLU CB C 13 24.640 0.02 . 1 . . . . 69 GLU CB . 6913 1 815 . 1 1 69 69 GLU CG C 13 34.688 0.02 . 1 . . . . 69 GLU CG . 6913 1 816 . 1 1 69 69 GLU N N 15 114.925 0.02 . 1 . . . . 69 GLU N . 6913 1 817 . 1 1 70 70 VAL H H 1 7.723 0.02 . 1 . . . . 70 VAL HN . 6913 1 818 . 1 1 70 70 VAL HA H 1 3.924 0.02 . 1 . . . . 70 VAL HA . 6913 1 819 . 1 1 70 70 VAL HB H 1 1.647 0.02 . 1 . . . . 70 VAL HB . 6913 1 820 . 1 1 70 70 VAL HG11 H 1 0.720 0.02 . 2 . . . . 70 VAL HG11 . 6913 1 821 . 1 1 70 70 VAL HG12 H 1 0.720 0.02 . 2 . . . . 70 VAL HG11 . 6913 1 822 . 1 1 70 70 VAL HG13 H 1 0.720 0.02 . 2 . . . . 70 VAL HG11 . 6913 1 823 . 1 1 70 70 VAL HG21 H 1 0.117 0.02 . 2 . . . . 70 VAL HG21 . 6913 1 824 . 1 1 70 70 VAL HG22 H 1 0.117 0.02 . 2 . . . . 70 VAL HG21 . 6913 1 825 . 1 1 70 70 VAL HG23 H 1 0.117 0.02 . 2 . . . . 70 VAL HG21 . 6913 1 826 . 1 1 70 70 VAL C C 13 175.279 0.02 . 1 . . . . 70 VAL C . 6913 1 827 . 1 1 70 70 VAL CA C 13 60.639 0.02 . 1 . . . . 70 VAL CA . 6913 1 828 . 1 1 70 70 VAL CB C 13 28.946 0.02 . 1 . . . . 70 VAL CB . 6913 1 829 . 1 1 70 70 VAL CG1 C 13 19.137 0.02 . 1 . . . . 70 VAL CG1 . 6913 1 830 . 1 1 70 70 VAL CG2 C 13 19.137 0.02 . 1 . . . . 70 VAL CG2 . 6913 1 831 . 1 1 70 70 VAL N N 15 120.240 0.02 . 1 . . . . 70 VAL N . 6913 1 832 . 1 1 71 71 SER H H 1 8.347 0.02 . 1 . . . . 71 SER HN . 6913 1 833 . 1 1 71 71 SER HA H 1 4.536 0.02 . 1 . . . . 71 SER HA . 6913 1 834 . 1 1 71 71 SER HB2 H 1 3.799 0.02 . 1 . . . . 71 SER HB1 . 6913 1 835 . 1 1 71 71 SER HB3 H 1 3.799 0.02 . 1 . . . . 71 SER HB2 . 6913 1 836 . 1 1 71 71 SER C C 13 175.849 0.02 . 1 . . . . 71 SER C . 6913 1 837 . 1 1 71 71 SER CA C 13 57.538 0.02 . 1 . . . . 71 SER CA . 6913 1 838 . 1 1 71 71 SER CB C 13 62.726 0.02 . 1 . . . . 71 SER CB . 6913 1 839 . 1 1 71 71 SER N N 15 114.610 0.02 . 1 . . . . 71 SER N . 6913 1 840 . 1 1 72 72 SER H H 1 8.489 0.02 . 1 . . . . 72 SER HN . 6913 1 841 . 1 1 72 72 SER HA H 1 4.536 0.02 . 1 . . . . 72 SER HA . 6913 1 842 . 1 1 72 72 SER HB2 H 1 4.027 0.02 . 2 . . . . 72 SER HB2 . 6913 1 843 . 1 1 72 72 SER C C 13 175.826 0.02 . 1 . . . . 72 SER C . 6913 1 844 . 1 1 72 72 SER CA C 13 57.501 0.02 . 1 . . . . 72 SER CA . 6913 1 845 . 1 1 72 72 SER CB C 13 60.807 0.02 . 1 . . . . 72 SER CB . 6913 1 846 . 1 1 72 72 SER N N 15 114.610 0.02 . 1 . . . . 72 SER N . 6913 1 847 . 1 1 73 73 MET H H 1 7.780 0.02 . 1 . . . . 73 MET HN . 6913 1 848 . 1 1 73 73 MET HA H 1 3.97 0.02 . 1 . . . . 73 MET HA . 6913 1 849 . 1 1 73 73 MET C C 13 175.314 0.02 . 1 . . . . 73 MET C . 6913 1 850 . 1 1 73 73 MET CA C 13 56.63 0.02 . 1 . . . . 73 MET CA . 6913 1 851 . 1 1 73 73 MET N N 15 120.530 0.02 . 1 . . . . 73 MET N . 6913 1 852 . 1 1 74 74 PRO HA H 1 5.070 0.02 . 1 . . . . 74 PRO HA . 6913 1 853 . 1 1 74 74 PRO HB2 H 1 2.129 0.02 . 2 . . . . 74 PRO HB1 . 6913 1 854 . 1 1 74 74 PRO HB3 H 1 1.866 0.02 . 2 . . . . 74 PRO HB2 . 6913 1 855 . 1 1 74 74 PRO HG2 H 1 1.740 0.02 . 1 . . . . 74 PRO HG1 . 6913 1 856 . 1 1 74 74 PRO HG3 H 1 1.740 0.02 . 1 . . . . 74 PRO HG2 . 6913 1 857 . 1 1 74 74 PRO HD2 H 1 3.483 0.02 . 2 . . . . 74 PRO HD1 . 6913 1 858 . 1 1 74 74 PRO HD3 H 1 3.528 0.02 . 2 . . . . 74 PRO HD2 . 6913 1 859 . 1 1 74 74 PRO CA C 13 60.940 0.02 . 1 . . . . 74 PRO CA . 6913 1 860 . 1 1 74 74 PRO CB C 13 32.450 0.02 . 1 . . . . 74 PRO CB . 6913 1 861 . 1 1 74 74 PRO CG C 13 22.490 0.02 . 1 . . . . 74 PRO CG . 6913 1 862 . 1 1 74 74 PRO CD C 13 48.770 0.02 . 1 . . . . 74 PRO CD . 6913 1 863 . 1 1 75 75 THR H H 1 8.450 0.02 . 1 . . . . 75 THR HN . 6913 1 864 . 1 1 75 75 THR HA H 1 5.201 0.02 . 1 . . . . 75 THR HA . 6913 1 865 . 1 1 75 75 THR HB H 1 4.058 0.02 . 1 . . . . 75 THR HB . 6913 1 866 . 1 1 75 75 THR HG21 H 1 1.133 0.02 . 1 . . . . 75 THR HG21 . 6913 1 867 . 1 1 75 75 THR HG22 H 1 1.133 0.02 . 1 . . . . 75 THR HG21 . 6913 1 868 . 1 1 75 75 THR HG23 H 1 1.133 0.02 . 1 . . . . 75 THR HG21 . 6913 1 869 . 1 1 75 75 THR C C 13 174.615 0.02 . 1 . . . . 75 THR C . 6913 1 870 . 1 1 75 75 THR CA C 13 61.497 0.02 . 1 . . . . 75 THR CA . 6913 1 871 . 1 1 75 75 THR CB C 13 70.603 0.02 . 1 . . . . 75 THR CB . 6913 1 872 . 1 1 75 75 THR CG2 C 13 19.588 0.02 . 1 . . . . 75 THR CG2 . 6913 1 873 . 1 1 75 75 THR N N 15 117.880 0.02 . 1 . . . . 75 THR N . 6913 1 874 . 1 1 76 76 LEU H H 1 9.466 0.02 . 1 . . . . 76 LEU HN . 6913 1 875 . 1 1 76 76 LEU HA H 1 5.650 0.02 . 1 . . . . 76 LEU HA . 6913 1 876 . 1 1 76 76 LEU HB2 H 1 1.454 0.02 . 2 . . . . 76 LEU HB1 . 6913 1 877 . 1 1 76 76 LEU HB3 H 1 1.727 0.02 . 2 . . . . 76 LEU HB2 . 6913 1 878 . 1 1 76 76 LEU HG H 1 1.762 0.02 . 1 . . . . 76 LEU HG . 6913 1 879 . 1 1 76 76 LEU HD11 H 1 0.932 0.02 . 2 . . . . 76 LEU HD11 . 6913 1 880 . 1 1 76 76 LEU HD12 H 1 0.932 0.02 . 2 . . . . 76 LEU HD11 . 6913 1 881 . 1 1 76 76 LEU HD13 H 1 0.932 0.02 . 2 . . . . 76 LEU HD11 . 6913 1 882 . 1 1 76 76 LEU HD21 H 1 0.970 0.02 . 2 . . . . 76 LEU HD21 . 6913 1 883 . 1 1 76 76 LEU HD22 H 1 0.970 0.02 . 2 . . . . 76 LEU HD21 . 6913 1 884 . 1 1 76 76 LEU HD23 H 1 0.970 0.02 . 2 . . . . 76 LEU HD21 . 6913 1 885 . 1 1 76 76 LEU C C 13 169.174 0.02 . 1 . . . . 76 LEU C . 6913 1 886 . 1 1 76 76 LEU CA C 13 52.783 0.02 . 1 . . . . 76 LEU CA . 6913 1 887 . 1 1 76 76 LEU CB C 13 42.076 0.02 . 1 . . . . 76 LEU CB . 6913 1 888 . 1 1 76 76 LEU CG C 13 28.074 0.02 . 1 . . . . 76 LEU CG . 6913 1 889 . 1 1 76 76 LEU CD1 C 13 24.237 0.02 . 1 . . . . 76 LEU CD1 . 6913 1 890 . 1 1 76 76 LEU CD2 C 13 24.237 0.02 . 1 . . . . 76 LEU CD2 . 6913 1 891 . 1 1 76 76 LEU N N 15 130.318 0.02 . 1 . . . . 76 LEU N . 6913 1 892 . 1 1 77 77 ILE H H 1 8.975 0.02 . 1 . . . . 77 ILE HN . 6913 1 893 . 1 1 77 77 ILE HA H 1 4.432 0.02 . 1 . . . . 77 ILE HA . 6913 1 894 . 1 1 77 77 ILE HB H 1 1.825 0.02 . 1 . . . . 77 ILE HB . 6913 1 895 . 1 1 77 77 ILE HG12 H 1 1.728 0.02 . 1 . . . . 77 ILE HG11 . 6913 1 896 . 1 1 77 77 ILE HG13 H 1 1.728 0.02 . 1 . . . . 77 ILE HG12 . 6913 1 897 . 1 1 77 77 ILE HG21 H 1 0.421 0.02 . 1 . . . . 77 ILE HG21 . 6913 1 898 . 1 1 77 77 ILE HG22 H 1 0.421 0.02 . 1 . . . . 77 ILE HG21 . 6913 1 899 . 1 1 77 77 ILE HG23 H 1 0.421 0.02 . 1 . . . . 77 ILE HG21 . 6913 1 900 . 1 1 77 77 ILE HD11 H 1 0.580 0.02 . 1 . . . . 77 ILE HD11 . 6913 1 901 . 1 1 77 77 ILE HD12 H 1 0.580 0.02 . 1 . . . . 77 ILE HD11 . 6913 1 902 . 1 1 77 77 ILE HD13 H 1 0.580 0.02 . 1 . . . . 77 ILE HD11 . 6913 1 903 . 1 1 77 77 ILE C C 13 173.042 0.02 . 1 . . . . 77 ILE C . 6913 1 904 . 1 1 77 77 ILE CA C 13 60.940 0.02 . 1 . . . . 77 ILE CA . 6913 1 905 . 1 1 77 77 ILE CB C 13 36.200 0.02 . 1 . . . . 77 ILE CB . 6913 1 906 . 1 1 77 77 ILE CG1 C 13 26.349 0.02 . 2 . . . . 77 ILE CG1 . 6913 1 907 . 1 1 77 77 ILE CG2 C 13 15.290 0.02 . 1 . . . . 77 ILE CG2 . 6913 1 908 . 1 1 77 77 ILE CD1 C 13 11.660 0.02 . 1 . . . . 77 ILE CD1 . 6913 1 909 . 1 1 77 77 ILE N N 15 122.178 0.02 . 1 . . . . 77 ILE N . 6913 1 910 . 1 1 78 78 PHE H H 1 8.157 0.02 . 1 . . . . 78 PHE HN . 6913 1 911 . 1 1 78 78 PHE HA H 1 4.984 0.02 . 1 . . . . 78 PHE HA . 6913 1 912 . 1 1 78 78 PHE HB2 H 1 2.476 0.02 . 2 . . . . 78 PHE HB1 . 6913 1 913 . 1 1 78 78 PHE HB3 H 1 2.946 0.02 . 2 . . . . 78 PHE HB2 . 6913 1 914 . 1 1 78 78 PHE HD1 H 1 6.949 0.02 . 1 . . . . 78 PHE HD1 . 6913 1 915 . 1 1 78 78 PHE HD2 H 1 6.949 0.02 . 1 . . . . 78 PHE HD2 . 6913 1 916 . 1 1 78 78 PHE HE1 H 1 7.013 0.02 . 1 . . . . 78 PHE HE1 . 6913 1 917 . 1 1 78 78 PHE HE2 H 1 7.013 0.02 . 1 . . . . 78 PHE HE2 . 6913 1 918 . 1 1 78 78 PHE C C 13 170.072 0.02 . 1 . . . . 78 PHE C . 6913 1 919 . 1 1 78 78 PHE CA C 13 54.826 0.02 . 1 . . . . 78 PHE CA . 6913 1 920 . 1 1 78 78 PHE CB C 13 37.579 0.02 . 1 . . . . 78 PHE CB . 6913 1 921 . 1 1 78 78 PHE CD1 C 13 130.461 0.02 . 1 . . . . 78 PHE CD1 . 6913 1 922 . 1 1 78 78 PHE CD2 C 13 130.461 0.02 . 1 . . . . 78 PHE CD2 . 6913 1 923 . 1 1 78 78 PHE CE1 C 13 131.293 0.02 . 1 . . . . 78 PHE CE1 . 6913 1 924 . 1 1 78 78 PHE CE2 C 13 131.293 0.02 . 1 . . . . 78 PHE CE2 . 6913 1 925 . 1 1 78 78 PHE N N 15 126.142 0.02 . 1 . . . . 78 PHE N . 6913 1 926 . 1 1 79 79 TYR H H 1 10.105 0.02 . 1 . . . . 79 TYR HN . 6913 1 927 . 1 1 79 79 TYR HA H 1 5.449 0.02 . 1 . . . . 79 TYR HA . 6913 1 928 . 1 1 79 79 TYR HB2 H 1 2.770 0.02 . 1 . . . . 79 TYR HB1 . 6913 1 929 . 1 1 79 79 TYR HB3 H 1 2.770 0.02 . 1 . . . . 79 TYR HB2 . 6913 1 930 . 1 1 79 79 TYR HD1 H 1 6.683 0.02 . 1 . . . . 79 TYR HD1 . 6913 1 931 . 1 1 79 79 TYR HD2 H 1 6.683 0.02 . 1 . . . . 79 TYR HD2 . 6913 1 932 . 1 1 79 79 TYR HE1 H 1 6.756 0.02 . 1 . . . . 79 TYR HE1 . 6913 1 933 . 1 1 79 79 TYR HE2 H 1 6.756 0.02 . 1 . . . . 79 TYR HE2 . 6913 1 934 . 1 1 79 79 TYR C C 13 171.926 0.02 . 1 . . . . 79 TYR C . 6913 1 935 . 1 1 79 79 TYR CA C 13 54.628 0.02 . 1 . . . . 79 TYR CA . 6913 1 936 . 1 1 79 79 TYR CB C 13 40.861 0.02 . 1 . . . . 79 TYR CB . 6913 1 937 . 1 1 79 79 TYR CD1 C 13 131.276 0.02 . 1 . . . . 79 TYR CD1 . 6913 1 938 . 1 1 79 79 TYR CD2 C 13 131.276 0.02 . 1 . . . . 79 TYR CD2 . 6913 1 939 . 1 1 79 79 TYR CE1 C 13 115.431 0.02 . 1 . . . . 79 TYR CE1 . 6913 1 940 . 1 1 79 79 TYR CE2 C 13 115.431 0.02 . 1 . . . . 79 TYR CE2 . 6913 1 941 . 1 1 79 79 TYR N N 15 123.619 0.02 . 1 . . . . 79 TYR N . 6913 1 942 . 1 1 80 80 LYS H H 1 8.746 0.02 . 1 . . . . 80 LYS HN . 6913 1 943 . 1 1 80 80 LYS HA H 1 4.685 0.02 . 1 . . . . 80 LYS HA . 6913 1 944 . 1 1 80 80 LYS HB2 H 1 1.639 0.02 . 2 . . . . 80 LYS HB1 . 6913 1 945 . 1 1 80 80 LYS HB3 H 1 1.811 0.02 . 2 . . . . 80 LYS HB2 . 6913 1 946 . 1 1 80 80 LYS HG2 H 1 1.524 0.02 . 2 . . . . 80 LYS HG1 . 6913 1 947 . 1 1 80 80 LYS HG3 H 1 1.429 0.02 . 2 . . . . 80 LYS HG2 . 6913 1 948 . 1 1 80 80 LYS HD2 H 1 1.739 0.02 . 1 . . . . 80 LYS HD1 . 6913 1 949 . 1 1 80 80 LYS HD3 H 1 1.739 0.02 . 1 . . . . 80 LYS HD2 . 6913 1 950 . 1 1 80 80 LYS HE2 H 1 3.047 0.02 . 1 . . . . 80 LYS HE1 . 6913 1 951 . 1 1 80 80 LYS HE3 H 1 3.047 0.02 . 1 . . . . 80 LYS HE2 . 6913 1 952 . 1 1 80 80 LYS C C 13 172.623 0.02 . 1 . . . . 80 LYS C . 6913 1 953 . 1 1 80 80 LYS CA C 13 54.298 0.02 . 1 . . . . 80 LYS CA . 6913 1 954 . 1 1 80 80 LYS CB C 13 33.561 0.02 . 1 . . . . 80 LYS CB . 6913 1 955 . 1 1 80 80 LYS CG C 13 23.670 0.02 . 1 . . . . 80 LYS CG . 6913 1 956 . 1 1 80 80 LYS CD C 13 27.266 0.02 . 1 . . . . 80 LYS CD . 6913 1 957 . 1 1 80 80 LYS CE C 13 40.100 0.02 . 1 . . . . 80 LYS CE . 6913 1 958 . 1 1 80 80 LYS N N 15 119.548 0.02 . 1 . . . . 80 LYS N . 6913 1 959 . 1 1 81 81 GLY H H 1 9.292 0.02 . 1 . . . . 81 GLY HN . 6913 1 960 . 1 1 81 81 GLY HA2 H 1 3.930 0.02 . 2 . . . . 81 GLY HA1 . 6913 1 961 . 1 1 81 81 GLY HA3 H 1 4.044 0.02 . 2 . . . . 81 GLY HA2 . 6913 1 962 . 1 1 81 81 GLY C C 13 172.455 0.02 . 1 . . . . 81 GLY C . 6913 1 963 . 1 1 81 81 GLY CA C 13 45.493 0.02 . 1 . . . . 81 GLY CA . 6913 1 964 . 1 1 81 81 GLY N N 15 117.089 0.02 . 1 . . . . 81 GLY N . 6913 1 965 . 1 1 82 82 GLY H H 1 9.472 0.02 . 1 . . . . 82 GLY HN . 6913 1 966 . 1 1 82 82 GLY HA2 H 1 3.383 0.02 . 2 . . . . 82 GLY HA1 . 6913 1 967 . 1 1 82 82 GLY HA3 H 1 4.193 0.02 . 2 . . . . 82 GLY HA2 . 6913 1 968 . 1 1 82 82 GLY C C 13 173.481 0.02 . 1 . . . . 82 GLY C . 6913 1 969 . 1 1 82 82 GLY CA C 13 43.237 0.02 . 1 . . . . 82 GLY CA . 6913 1 970 . 1 1 82 82 GLY N N 15 106.828 0.02 . 1 . . . . 82 GLY N . 6913 1 971 . 1 1 83 83 LYS H H 1 7.590 0.02 . 1 . . . . 83 LYS HN . 6913 1 972 . 1 1 83 83 LYS HA H 1 4.818 0.02 . 1 . . . . 83 LYS HA . 6913 1 973 . 1 1 83 83 LYS HB2 H 1 1.828 0.02 . 2 . . . . 83 LYS HB1 . 6913 1 974 . 1 1 83 83 LYS HB3 H 1 1.902 0.02 . 2 . . . . 83 LYS HB2 . 6913 1 975 . 1 1 83 83 LYS HG2 H 1 1.461 0.02 . 1 . . . . 83 LYS HG1 . 6913 1 976 . 1 1 83 83 LYS HG3 H 1 1.461 0.02 . 1 . . . . 83 LYS HG2 . 6913 1 977 . 1 1 83 83 LYS HD2 H 1 1.736 0.02 . 1 . . . . 83 LYS HD1 . 6913 1 978 . 1 1 83 83 LYS HD3 H 1 1.736 0.02 . 1 . . . . 83 LYS HD2 . 6913 1 979 . 1 1 83 83 LYS HE2 H 1 3.063 0.02 . 1 . . . . 83 LYS HE1 . 6913 1 980 . 1 1 83 83 LYS HE3 H 1 3.063 0.02 . 1 . . . . 83 LYS HE2 . 6913 1 981 . 1 1 83 83 LYS C C 13 174.538 0.02 . 1 . . . . 83 LYS C . 6913 1 982 . 1 1 83 83 LYS CA C 13 51.879 0.02 . 1 . . . . 83 LYS CA . 6913 1 983 . 1 1 83 83 LYS CB C 13 33.200 0.02 . 1 . . . . 83 LYS CB . 6913 1 984 . 1 1 83 83 LYS CG C 13 22.314 0.02 . 1 . . . . 83 LYS CG . 6913 1 985 . 1 1 83 83 LYS CD C 13 26.970 0.02 . 1 . . . . 83 LYS CD . 6913 1 986 . 1 1 83 83 LYS CE C 13 39.000 0.02 . 1 . . . . 83 LYS CE . 6913 1 987 . 1 1 83 83 LYS N N 15 118.890 0.02 . 1 . . . . 83 LYS N . 6913 1 988 . 1 1 84 84 GLU H H 1 8.843 0.02 . 1 . . . . 84 GLU HN . 6913 1 989 . 1 1 84 84 GLU HA H 1 4.064 0.02 . 1 . . . . 84 GLU HA . 6913 1 990 . 1 1 84 84 GLU HB2 H 1 1.774 0.02 . 2 . . . . 84 GLU HB1 . 6913 1 991 . 1 1 84 84 GLU HB3 H 1 1.957 0.02 . 2 . . . . 84 GLU HB2 . 6913 1 992 . 1 1 84 84 GLU HG2 H 1 2.277 0.02 . 1 . . . . 84 GLU HG1 . 6913 1 993 . 1 1 84 84 GLU HG3 H 1 2.277 0.02 . 1 . . . . 84 GLU HG2 . 6913 1 994 . 1 1 84 84 GLU C C 13 172.784 0.02 . 1 . . . . 84 GLU C . 6913 1 995 . 1 1 84 84 GLU CA C 13 54.692 0.02 . 1 . . . . 84 GLU CA . 6913 1 996 . 1 1 84 84 GLU CB C 13 27.246 0.02 . 1 . . . . 84 GLU CB . 6913 1 997 . 1 1 84 84 GLU CG C 13 33.984 0.02 . 1 . . . . 84 GLU CG . 6913 1 998 . 1 1 84 84 GLU N N 15 124.600 0.02 . 1 . . . . 84 GLU N . 6913 1 999 . 1 1 85 85 VAL H H 1 9.563 0.02 . 1 . . . . 85 VAL HN . 6913 1 1000 . 1 1 85 85 VAL HA H 1 4.356 0.02 . 1 . . . . 85 VAL HA . 6913 1 1001 . 1 1 85 85 VAL HB H 1 1.987 0.02 . 1 . . . . 85 VAL HB . 6913 1 1002 . 1 1 85 85 VAL HG11 H 1 0.856 0.02 . 2 . . . . 85 VAL HG11 . 6913 1 1003 . 1 1 85 85 VAL HG12 H 1 0.856 0.02 . 2 . . . . 85 VAL HG11 . 6913 1 1004 . 1 1 85 85 VAL HG13 H 1 0.856 0.02 . 2 . . . . 85 VAL HG11 . 6913 1 1005 . 1 1 85 85 VAL HG21 H 1 0.958 0.02 . 2 . . . . 85 VAL HG21 . 6913 1 1006 . 1 1 85 85 VAL HG22 H 1 0.958 0.02 . 2 . . . . 85 VAL HG21 . 6913 1 1007 . 1 1 85 85 VAL HG23 H 1 0.958 0.02 . 2 . . . . 85 VAL HG21 . 6913 1 1008 . 1 1 85 85 VAL C C 13 174.983 0.02 . 1 . . . . 85 VAL C . 6913 1 1009 . 1 1 85 85 VAL CA C 13 60.577 0.02 . 1 . . . . 85 VAL CA . 6913 1 1010 . 1 1 85 85 VAL CB C 13 31.104 0.02 . 1 . . . . 85 VAL CB . 6913 1 1011 . 1 1 85 85 VAL CG1 C 13 17.788 0.02 . 1 . . . . 85 VAL CG1 . 6913 1 1012 . 1 1 85 85 VAL CG2 C 13 19.512 0.02 . 1 . . . . 85 VAL CG2 . 6913 1 1013 . 1 1 85 85 VAL N N 15 125.313 0.02 . 1 . . . . 85 VAL N . 6913 1 1014 . 1 1 86 86 THR H H 1 7.685 0.02 . 1 . . . . 86 THR HN . 6913 1 1015 . 1 1 86 86 THR HA H 1 4.705 0.02 . 1 . . . . 86 THR HA . 6913 1 1016 . 1 1 86 86 THR HB H 1 4.375 0.02 . 1 . . . . 86 THR HB . 6913 1 1017 . 1 1 86 86 THR HG21 H 1 0.586 0.02 . 1 . . . . 86 THR HG21 . 6913 1 1018 . 1 1 86 86 THR HG22 H 1 0.586 0.02 . 1 . . . . 86 THR HG21 . 6913 1 1019 . 1 1 86 86 THR HG23 H 1 0.586 0.02 . 1 . . . . 86 THR HG21 . 6913 1 1020 . 1 1 86 86 THR C C 13 174.158 0.02 . 1 . . . . 86 THR C . 6913 1 1021 . 1 1 86 86 THR CA C 13 60.979 0.02 . 1 . . . . 86 THR CA . 6913 1 1022 . 1 1 86 86 THR CB C 13 65.230 0.02 . 1 . . . . 86 THR CB . 6913 1 1023 . 1 1 86 86 THR CG2 C 13 15.952 0.02 . 1 . . . . 86 THR CG2 . 6913 1 1024 . 1 1 86 86 THR N N 15 112.432 0.02 . 1 . . . . 86 THR N . 6913 1 1025 . 1 1 87 87 ARG H H 1 8.117 0.02 . 1 . . . . 87 ARG HN . 6913 1 1026 . 1 1 87 87 ARG HA H 1 5.650 0.02 . 1 . . . . 87 ARG HA . 6913 1 1027 . 1 1 87 87 ARG HB2 H 1 1.590 0.02 . 2 . . . . 87 ARG HB1 . 6913 1 1028 . 1 1 87 87 ARG HB3 H 1 2.205 0.02 . 2 . . . . 87 ARG HB2 . 6913 1 1029 . 1 1 87 87 ARG HG2 H 1 1.440 0.02 . 2 . . . . 87 ARG HG1 . 6913 1 1030 . 1 1 87 87 ARG HG3 H 1 1.700 0.02 . 2 . . . . 87 ARG HG2 . 6913 1 1031 . 1 1 87 87 ARG HD2 H 1 3.060 0.02 . 2 . . . . 87 ARG HD1 . 6913 1 1032 . 1 1 87 87 ARG HD3 H 1 2.790 0.02 . 2 . . . . 87 ARG HD2 . 6913 1 1033 . 1 1 87 87 ARG HE H 1 5.646 0.02 . 1 . . . . 87 ARG HE . 6913 1 1034 . 1 1 87 87 ARG C C 13 175.015 0.02 . 1 . . . . 87 ARG C . 6913 1 1035 . 1 1 87 87 ARG CA C 13 52.136 0.02 . 1 . . . . 87 ARG CA . 6913 1 1036 . 1 1 87 87 ARG CB C 13 32.590 0.02 . 1 . . . . 87 ARG CB . 6913 1 1037 . 1 1 87 87 ARG CG C 13 21.923 0.02 . 1 . . . . 87 ARG CG . 6913 1 1038 . 1 1 87 87 ARG CD C 13 40.100 0.02 . 1 . . . . 87 ARG CD . 6913 1 1039 . 1 1 87 87 ARG N N 15 117.107 0.02 . 1 . . . . 87 ARG N . 6913 1 1040 . 1 1 88 88 VAL H H 1 9.563 0.02 . 1 . . . . 88 VAL HN . 6913 1 1041 . 1 1 88 88 VAL HA H 1 4.379 0.02 . 1 . . . . 88 VAL HA . 6913 1 1042 . 1 1 88 88 VAL HB H 1 2.057 0.02 . 1 . . . . 88 VAL HB . 6913 1 1043 . 1 1 88 88 VAL HG11 H 1 1.052 0.02 . 2 . . . . 88 VAL HG11 . 6913 1 1044 . 1 1 88 88 VAL HG12 H 1 1.052 0.02 . 2 . . . . 88 VAL HG11 . 6913 1 1045 . 1 1 88 88 VAL HG13 H 1 1.052 0.02 . 2 . . . . 88 VAL HG11 . 6913 1 1046 . 1 1 88 88 VAL HG21 H 1 0.828 0.02 . 2 . . . . 88 VAL HG21 . 6913 1 1047 . 1 1 88 88 VAL HG22 H 1 0.828 0.02 . 2 . . . . 88 VAL HG21 . 6913 1 1048 . 1 1 88 88 VAL HG23 H 1 0.828 0.02 . 2 . . . . 88 VAL HG21 . 6913 1 1049 . 1 1 88 88 VAL C C 13 171.942 0.02 . 1 . . . . 88 VAL C . 6913 1 1050 . 1 1 88 88 VAL CA C 13 59.815 0.02 . 1 . . . . 88 VAL CA . 6913 1 1051 . 1 1 88 88 VAL CB C 13 32.834 0.02 . 1 . . . . 88 VAL CB . 6913 1 1052 . 1 1 88 88 VAL CG1 C 13 19.169 0.02 . 1 . . . . 88 VAL CG1 . 6913 1 1053 . 1 1 88 88 VAL CG2 C 13 19.169 0.02 . 1 . . . . 88 VAL CG2 . 6913 1 1054 . 1 1 88 88 VAL N N 15 122.634 0.02 . 1 . . . . 88 VAL N . 6913 1 1055 . 1 1 89 89 VAL H H 1 8.870 0.02 . 1 . . . . 89 VAL HN . 6913 1 1056 . 1 1 89 89 VAL HA H 1 4.602 0.02 . 1 . . . . 89 VAL HA . 6913 1 1057 . 1 1 89 89 VAL HB H 1 2.044 0.02 . 1 . . . . 89 VAL HB . 6913 1 1058 . 1 1 89 89 VAL HG11 H 1 0.990 0.02 . 2 . . . . 89 VAL HG11 . 6913 1 1059 . 1 1 89 89 VAL HG12 H 1 0.990 0.02 . 2 . . . . 89 VAL HG11 . 6913 1 1060 . 1 1 89 89 VAL HG13 H 1 0.990 0.02 . 2 . . . . 89 VAL HG11 . 6913 1 1061 . 1 1 89 89 VAL HG21 H 1 0.917 0.02 . 2 . . . . 89 VAL HG21 . 6913 1 1062 . 1 1 89 89 VAL HG22 H 1 0.917 0.02 . 2 . . . . 89 VAL HG21 . 6913 1 1063 . 1 1 89 89 VAL HG23 H 1 0.917 0.02 . 2 . . . . 89 VAL HG21 . 6913 1 1064 . 1 1 89 89 VAL C C 13 171.875 0.02 . 1 . . . . 89 VAL C . 6913 1 1065 . 1 1 89 89 VAL CA C 13 59.476 0.02 . 1 . . . . 89 VAL CA . 6913 1 1066 . 1 1 89 89 VAL CB C 13 30.475 0.02 . 1 . . . . 89 VAL CB . 6913 1 1067 . 1 1 89 89 VAL CG1 C 13 18.451 0.02 . 1 . . . . 89 VAL CG1 . 6913 1 1068 . 1 1 89 89 VAL CG2 C 13 19.318 0.02 . 1 . . . . 89 VAL CG2 . 6913 1 1069 . 1 1 89 89 VAL N N 15 128.811 0.02 . 1 . . . . 89 VAL N . 6913 1 1070 . 1 1 90 90 GLY H H 1 8.490 0.02 . 1 . . . . 90 GLY HN . 6913 1 1071 . 1 1 90 90 GLY HA2 H 1 4.559 0.02 . 2 . . . . 90 GLY HA1 . 6913 1 1072 . 1 1 90 90 GLY HA3 H 1 3.667 0.02 . 2 . . . . 90 GLY HA2 . 6913 1 1073 . 1 1 90 90 GLY C C 13 174.079 0.02 . 1 . . . . 90 GLY C . 6913 1 1074 . 1 1 90 90 GLY CA C 13 41.318 0.02 . 1 . . . . 90 GLY CA . 6913 1 1075 . 1 1 90 90 GLY N N 15 115.520 0.02 . 1 . . . . 90 GLY N . 6913 1 1076 . 1 1 91 91 ALA H H 1 7.488 0.02 . 1 . . . . 91 ALA HN . 6913 1 1077 . 1 1 91 91 ALA HA H 1 3.68 0.02 . 1 . . . . 91 ALA HA . 6913 1 1078 . 1 1 91 91 ALA HB1 H 1 1.322 0.02 . 1 . . . . 91 ALA HB1 . 6913 1 1079 . 1 1 91 91 ALA HB2 H 1 1.322 0.02 . 1 . . . . 91 ALA HB1 . 6913 1 1080 . 1 1 91 91 ALA HB3 H 1 1.322 0.02 . 1 . . . . 91 ALA HB1 . 6913 1 1081 . 1 1 91 91 ALA CA C 13 53.220 0.02 . 1 . . . . 91 ALA CA . 6913 1 1082 . 1 1 91 91 ALA CB C 13 15.958 0.02 . 1 . . . . 91 ALA CB . 6913 1 1083 . 1 1 91 91 ALA N N 15 121.631 0.02 . 1 . . . . 91 ALA N . 6913 1 1084 . 1 1 92 92 ASN H H 1 7.427 0.02 . 1 . . . . 92 ASN HN . 6913 1 1085 . 1 1 92 92 ASN HA H 1 5.209 0.02 . 1 . . . . 92 ASN HA . 6913 1 1086 . 1 1 92 92 ASN HB2 H 1 2.964 0.02 . 2 . . . . 92 ASN HB1 . 6913 1 1087 . 1 1 92 92 ASN HB3 H 1 2.670 0.02 . 2 . . . . 92 ASN HB2 . 6913 1 1088 . 1 1 92 92 ASN HD21 H 1 8.206 0.02 . 2 . . . . 92 ASN HD21 . 6913 1 1089 . 1 1 92 92 ASN HD22 H 1 6.773 0.02 . 2 . . . . 92 ASN HD22 . 6913 1 1090 . 1 1 92 92 ASN C C 13 172.801 0.02 . 1 . . . . 92 ASN C . 6913 1 1091 . 1 1 92 92 ASN CA C 13 48.502 0.02 . 1 . . . . 92 ASN CA . 6913 1 1092 . 1 1 92 92 ASN CB C 13 36.805 0.02 . 1 . . . . 92 ASN CB . 6913 1 1093 . 1 1 92 92 ASN N N 15 120.719 0.02 . 1 . . . . 92 ASN N . 6913 1 1094 . 1 1 92 92 ASN ND2 N 15 115.611 0.02 . 1 . . . . 92 ASN ND2 . 6913 1 1095 . 1 1 93 93 PRO HA H 1 4.372 0.02 . 1 . . . . 93 PRO HA . 6913 1 1096 . 1 1 93 93 PRO HB2 H 1 1.956 0.02 . 1 . . . . 93 PRO HB1 . 6913 1 1097 . 1 1 93 93 PRO HB3 H 1 1.956 0.02 . 1 . . . . 93 PRO HB2 . 6913 1 1098 . 1 1 93 93 PRO HG2 H 1 2.338 0.02 . 1 . . . . 93 PRO HG1 . 6913 1 1099 . 1 1 93 93 PRO HG3 H 1 2.338 0.02 . 1 . . . . 93 PRO HG2 . 6913 1 1100 . 1 1 93 93 PRO HD2 H 1 3.820 0.02 . 2 . . . . 93 PRO HD1 . 6913 1 1101 . 1 1 93 93 PRO HD3 H 1 4.059 0.02 . 2 . . . . 93 PRO HD2 . 6913 1 1102 . 1 1 93 93 PRO CA C 13 63.363 0.02 . 1 . . . . 93 PRO CA . 6913 1 1103 . 1 1 93 93 PRO CB C 13 29.456 0.02 . 1 . . . . 93 PRO CB . 6913 1 1104 . 1 1 93 93 PRO CG C 13 25.881 0.02 . 1 . . . . 93 PRO CG . 6913 1 1105 . 1 1 93 93 PRO CD C 13 48.772 0.02 . 1 . . . . 93 PRO CD . 6913 1 1106 . 1 1 94 94 ALA HA H 1 4.175 0.02 . 1 . . . . 94 ALA HA . 6913 1 1107 . 1 1 94 94 ALA HB1 H 1 1.519 0.02 . 1 . . . . 94 ALA HB1 . 6913 1 1108 . 1 1 94 94 ALA HB2 H 1 1.519 0.02 . 1 . . . . 94 ALA HB1 . 6913 1 1109 . 1 1 94 94 ALA HB3 H 1 1.519 0.02 . 1 . . . . 94 ALA HB1 . 6913 1 1110 . 1 1 94 94 ALA CA C 13 52.131 0.02 . 1 . . . . 94 ALA CA . 6913 1 1111 . 1 1 94 94 ALA CB C 13 15.931 0.02 . 1 . . . . 94 ALA CB . 6913 1 1112 . 1 1 95 95 ALA H H 1 7.393 0.02 . 1 . . . . 95 ALA HN . 6913 1 1113 . 1 1 95 95 ALA HA H 1 4.138 0.02 . 1 . . . . 95 ALA HA . 6913 1 1114 . 1 1 95 95 ALA HB1 H 1 1.469 0.02 . 1 . . . . 95 ALA HB1 . 6913 1 1115 . 1 1 95 95 ALA HB2 H 1 1.469 0.02 . 1 . . . . 95 ALA HB1 . 6913 1 1116 . 1 1 95 95 ALA HB3 H 1 1.469 0.02 . 1 . . . . 95 ALA HB1 . 6913 1 1117 . 1 1 95 95 ALA C C 13 178.179 0.02 . 1 . . . . 95 ALA C . 6913 1 1118 . 1 1 95 95 ALA CA C 13 52.086 0.02 . 1 . . . . 95 ALA CA . 6913 1 1119 . 1 1 95 95 ALA CB C 13 16.986 0.02 . 1 . . . . 95 ALA CB . 6913 1 1120 . 1 1 95 95 ALA N N 15 120.583 0.02 . 1 . . . . 95 ALA N . 6913 1 1121 . 1 1 96 96 ILE H H 1 7.995 0.02 . 1 . . . . 96 ILE HN . 6913 1 1122 . 1 1 96 96 ILE HA H 1 3.572 0.02 . 1 . . . . 96 ILE HA . 6913 1 1123 . 1 1 96 96 ILE HB H 1 2.034 0.02 . 1 . . . . 96 ILE HB . 6913 1 1124 . 1 1 96 96 ILE HG12 H 1 0.971 0.02 . 1 . . . . 96 ILE HG11 . 6913 1 1125 . 1 1 96 96 ILE HG13 H 1 0.971 0.02 . 1 . . . . 96 ILE HG12 . 6913 1 1126 . 1 1 96 96 ILE HG21 H 1 1.016 0.02 . 1 . . . . 96 ILE HG21 . 6913 1 1127 . 1 1 96 96 ILE HG22 H 1 1.016 0.02 . 1 . . . . 96 ILE HG21 . 6913 1 1128 . 1 1 96 96 ILE HG23 H 1 1.016 0.02 . 1 . . . . 96 ILE HG21 . 6913 1 1129 . 1 1 96 96 ILE HD11 H 1 0.827 0.02 . 1 . . . . 96 ILE HD11 . 6913 1 1130 . 1 1 96 96 ILE HD12 H 1 0.827 0.02 . 1 . . . . 96 ILE HD11 . 6913 1 1131 . 1 1 96 96 ILE HD13 H 1 0.827 0.02 . 1 . . . . 96 ILE HD11 . 6913 1 1132 . 1 1 96 96 ILE C C 13 178.812 0.02 . 1 . . . . 96 ILE C . 6913 1 1133 . 1 1 96 96 ILE CA C 13 63.961 0.02 . 1 . . . . 96 ILE CA . 6913 1 1134 . 1 1 96 96 ILE CB C 13 36.500 0.02 . 1 . . . . 96 ILE CB . 6913 1 1135 . 1 1 96 96 ILE CG1 C 13 26.829 0.02 . 1 . . . . 96 ILE CG1 . 6913 1 1136 . 1 1 96 96 ILE CG2 C 13 15.650 0.02 . 1 . . . . 96 ILE CG2 . 6913 1 1137 . 1 1 96 96 ILE CD1 C 13 11.662 0.02 . 1 . . . . 96 ILE CD1 . 6913 1 1138 . 1 1 96 96 ILE N N 15 119.651 0.02 . 1 . . . . 96 ILE N . 6913 1 1139 . 1 1 97 97 LYS H H 1 8.180 0.02 . 1 . . . . 97 LYS HN . 6913 1 1140 . 1 1 97 97 LYS HA H 1 3.261 0.02 . 1 . . . . 97 LYS HA . 6913 1 1141 . 1 1 97 97 LYS HB2 H 1 1.841 0.02 . 1 . . . . 97 LYS HB1 . 6913 1 1142 . 1 1 97 97 LYS HB3 H 1 1.841 0.02 . 1 . . . . 97 LYS HB2 . 6913 1 1143 . 1 1 97 97 LYS HG2 H 1 1.324 0.02 . 1 . . . . 97 LYS HG1 . 6913 1 1144 . 1 1 97 97 LYS HG3 H 1 1.324 0.02 . 1 . . . . 97 LYS HG2 . 6913 1 1145 . 1 1 97 97 LYS HD2 H 1 1.696 0.02 . 1 . . . . 97 LYS HD1 . 6913 1 1146 . 1 1 97 97 LYS HD3 H 1 1.696 0.02 . 1 . . . . 97 LYS HD2 . 6913 1 1147 . 1 1 97 97 LYS HE2 H 1 3.048 0.02 . 1 . . . . 97 LYS HE1 . 6913 1 1148 . 1 1 97 97 LYS HE3 H 1 3.048 0.02 . 1 . . . . 97 LYS HE2 . 6913 1 1149 . 1 1 97 97 LYS C C 13 174.195 0.02 . 1 . . . . 97 LYS C . 6913 1 1150 . 1 1 97 97 LYS CA C 13 57.568 0.02 . 1 . . . . 97 LYS CA . 6913 1 1151 . 1 1 97 97 LYS CB C 13 30.012 0.02 . 1 . . . . 97 LYS CB . 6913 1 1152 . 1 1 97 97 LYS CG C 13 22.600 0.02 . 1 . . . . 97 LYS CG . 6913 1 1153 . 1 1 97 97 LYS CD C 13 26.975 0.02 . 1 . . . . 97 LYS CD . 6913 1 1154 . 1 1 97 97 LYS CE C 13 38.992 0.02 . 1 . . . . 97 LYS CE . 6913 1 1155 . 1 1 97 97 LYS N N 15 118.897 0.02 . 1 . . . . 97 LYS N . 6913 1 1156 . 1 1 98 98 GLN H H 1 7.745 0.02 . 1 . . . . 98 GLN HN . 6913 1 1157 . 1 1 98 98 GLN HA H 1 3.985 0.02 . 1 . . . . 98 GLN HA . 6913 1 1158 . 1 1 98 98 GLN HB2 H 1 2.069 0.02 . 2 . . . . 98 GLN HB1 . 6913 1 1159 . 1 1 98 98 GLN HB3 H 1 1.966 0.02 . 2 . . . . 98 GLN HB2 . 6913 1 1160 . 1 1 98 98 GLN HG2 H 1 2.360 0.02 . 1 . . . . 98 GLN HG1 . 6913 1 1161 . 1 1 98 98 GLN HG3 H 1 2.360 0.02 . 1 . . . . 98 GLN HG2 . 6913 1 1162 . 1 1 98 98 GLN HE21 H 1 6.880 0.02 . 2 . . . . 98 GLN HE21 . 6913 1 1163 . 1 1 98 98 GLN HE22 H 1 7.970 0.02 . 2 . . . . 98 GLN HE22 . 6913 1 1164 . 1 1 98 98 GLN C C 13 176.998 0.02 . 1 . . . . 98 GLN C . 6913 1 1165 . 1 1 98 98 GLN CA C 13 56.396 0.02 . 1 . . . . 98 GLN CA . 6913 1 1166 . 1 1 98 98 GLN CB C 13 25.842 0.02 . 1 . . . . 98 GLN CB . 6913 1 1167 . 1 1 98 98 GLN CG C 13 31.381 0.02 . 1 . . . . 98 GLN CG . 6913 1 1168 . 1 1 98 98 GLN N N 15 116.248 0.02 . 1 . . . . 98 GLN N . 6913 1 1169 . 1 1 99 99 ALA H H 1 7.510 0.02 . 1 . . . . 99 ALA HN . 6913 1 1170 . 1 1 99 99 ALA HA H 1 3.649 0.02 . 1 . . . . 99 ALA HA . 6913 1 1171 . 1 1 99 99 ALA HB1 H 1 0.434 0.02 . 1 . . . . 99 ALA HB1 . 6913 1 1172 . 1 1 99 99 ALA HB2 H 1 0.434 0.02 . 1 . . . . 99 ALA HB1 . 6913 1 1173 . 1 1 99 99 ALA HB3 H 1 0.434 0.02 . 1 . . . . 99 ALA HB1 . 6913 1 1174 . 1 1 99 99 ALA C C 13 175.843 0.02 . 1 . . . . 99 ALA C . 6913 1 1175 . 1 1 99 99 ALA CA C 13 52.576 0.02 . 1 . . . . 99 ALA CA . 6913 1 1176 . 1 1 99 99 ALA CB C 13 15.492 0.02 . 1 . . . . 99 ALA CB . 6913 1 1177 . 1 1 99 99 ALA N N 15 122.715 0.02 . 1 . . . . 99 ALA N . 6913 1 1178 . 1 1 100 100 ILE H H 1 7.770 0.02 . 1 . . . . 100 ILE HN . 6913 1 1179 . 1 1 100 100 ILE HA H 1 3.333 0.02 . 1 . . . . 100 ILE HA . 6913 1 1180 . 1 1 100 100 ILE HB H 1 1.273 0.02 . 1 . . . . 100 ILE HB . 6913 1 1181 . 1 1 100 100 ILE HG12 H 1 2.096 0.02 . 1 . . . . 100 ILE HG11 . 6913 1 1182 . 1 1 100 100 ILE HG13 H 1 2.096 0.02 . 4 . . . . 100 ILE HG12 . 6913 1 1183 . 1 1 100 100 ILE HG21 H 1 0.071 0.02 . 1 . . . . 100 ILE HG21 . 6913 1 1184 . 1 1 100 100 ILE HG22 H 1 0.071 0.02 . 1 . . . . 100 ILE HG21 . 6913 1 1185 . 1 1 100 100 ILE HG23 H 1 0.071 0.02 . 1 . . . . 100 ILE HG21 . 6913 1 1186 . 1 1 100 100 ILE HD11 H 1 0.643 0.02 . 1 . . . . 100 ILE HD11 . 6913 1 1187 . 1 1 100 100 ILE HD12 H 1 0.643 0.02 . 1 . . . . 100 ILE HD11 . 6913 1 1188 . 1 1 100 100 ILE HD13 H 1 0.643 0.02 . 1 . . . . 100 ILE HD11 . 6913 1 1189 . 1 1 100 100 ILE C C 13 173.438 0.02 . 1 . . . . 100 ILE C . 6913 1 1190 . 1 1 100 100 ILE CA C 13 63.085 0.02 . 1 . . . . 100 ILE CA . 6913 1 1191 . 1 1 100 100 ILE CB C 13 36.421 0.02 . 1 . . . . 100 ILE CB . 6913 1 1192 . 1 1 100 100 ILE CG1 C 13 26.821 0.02 . 1 . . . . 100 ILE CG1 . 6913 1 1193 . 1 1 100 100 ILE CG2 C 13 14.943 0.02 . 1 . . . . 100 ILE CG2 . 6913 1 1194 . 1 1 100 100 ILE CD1 C 13 12.750 0.02 . 1 . . . . 100 ILE CD1 . 6913 1 1195 . 1 1 100 100 ILE N N 15 117.160 0.02 . 1 . . . . 100 ILE N . 6913 1 1196 . 1 1 101 101 ALA H H 1 8.126 0.02 . 1 . . . . 101 ALA HN . 6913 1 1197 . 1 1 101 101 ALA HA H 1 3.792 0.02 . 1 . . . . 101 ALA HA . 6913 1 1198 . 1 1 101 101 ALA HB1 H 1 1.424 0.02 . 1 . . . . 101 ALA HB1 . 6913 1 1199 . 1 1 101 101 ALA HB2 H 1 1.424 0.02 . 1 . . . . 101 ALA HB1 . 6913 1 1200 . 1 1 101 101 ALA HB3 H 1 1.424 0.02 . 1 . . . . 101 ALA HB1 . 6913 1 1201 . 1 1 101 101 ALA C C 13 172.792 0.02 . 1 . . . . 101 ALA C . 6913 1 1202 . 1 1 101 101 ALA CA C 13 53.164 0.02 . 1 . . . . 101 ALA CA . 6913 1 1203 . 1 1 101 101 ALA CB C 13 16.121 0.02 . 1 . . . . 101 ALA CB . 6913 1 1204 . 1 1 101 101 ALA N N 15 118.990 0.02 . 1 . . . . 101 ALA N . 6913 1 1205 . 1 1 102 102 SER H H 1 7.890 0.02 . 1 . . . . 102 SER HN . 6913 1 1206 . 1 1 102 102 SER HA H 1 4.333 0.02 . 1 . . . . 102 SER HA . 6913 1 1207 . 1 1 102 102 SER HB2 H 1 3.806 0.02 . 2 . . . . 102 SER HB1 . 6913 1 1208 . 1 1 102 102 SER HB3 H 1 3.850 0.02 . 2 . . . . 102 SER HB2 . 6913 1 1209 . 1 1 102 102 SER C C 13 178.186 0.02 . 1 . . . . 102 SER C . 6913 1 1210 . 1 1 102 102 SER CA C 13 56.833 0.02 . 1 . . . . 102 SER CA . 6913 1 1211 . 1 1 102 102 SER CB C 13 61.683 0.02 . 1 . . . . 102 SER CB . 6913 1 1212 . 1 1 102 102 SER N N 15 108.557 0.02 . 1 . . . . 102 SER N . 6913 1 1213 . 1 1 103 103 ASN H H 1 7.330 0.02 . 1 . . . . 103 ASN HN . 6913 1 1214 . 1 1 103 103 ASN HA H 1 5.010 0.02 . 1 . . . . 103 ASN HA . 6913 1 1215 . 1 1 103 103 ASN HB2 H 1 2.496 0.02 . 2 . . . . 103 ASN HB1 . 6913 1 1216 . 1 1 103 103 ASN HB3 H 1 2.528 0.02 . 2 . . . . 103 ASN HB2 . 6913 1 1217 . 1 1 103 103 ASN HD21 H 1 7.366 0.02 . 2 . . . . 103 ASN HD21 . 6913 1 1218 . 1 1 103 103 ASN HD22 H 1 6.726 0.02 . 2 . . . . 103 ASN HD22 . 6913 1 1219 . 1 1 103 103 ASN C C 13 175.052 0.02 . 1 . . . . 103 ASN C . 6913 1 1220 . 1 1 103 103 ASN CA C 13 50.520 0.02 . 1 . . . . 103 ASN CA . 6913 1 1221 . 1 1 103 103 ASN CB C 13 32.000 0.02 . 1 . . . . 103 ASN CB . 6913 1 1222 . 1 1 103 103 ASN N N 15 116.872 0.02 . 1 . . . . 103 ASN N . 6913 1 1223 . 1 1 103 103 ASN ND2 N 15 111.240 0.02 . 1 . . . . 103 ASN ND2 . 6913 1 1224 . 1 1 104 104 VAL H H 1 7.462 0.02 . 1 . . . . 104 VAL HN . 6913 1 1225 . 1 1 104 104 VAL HA H 1 4.049 0.02 . 1 . . . . 104 VAL HA . 6913 1 1226 . 1 1 104 104 VAL HB H 1 2.183 0.02 . 1 . . . . 104 VAL HB . 6913 1 1227 . 1 1 104 104 VAL HG11 H 1 0.977 0.02 . 2 . . . . 104 VAL HG11 . 6913 1 1228 . 1 1 104 104 VAL HG12 H 1 0.977 0.02 . 2 . . . . 104 VAL HG11 . 6913 1 1229 . 1 1 104 104 VAL HG13 H 1 0.977 0.02 . 2 . . . . 104 VAL HG11 . 6913 1 1230 . 1 1 104 104 VAL HG21 H 1 1.054 0.02 . 2 . . . . 104 VAL HG21 . 6913 1 1231 . 1 1 104 104 VAL HG22 H 1 1.054 0.02 . 2 . . . . 104 VAL HG21 . 6913 1 1232 . 1 1 104 104 VAL HG23 H 1 1.054 0.02 . 2 . . . . 104 VAL HG21 . 6913 1 1233 . 1 1 104 104 VAL C C 13 171.088 0.02 . 1 . . . . 104 VAL C . 6913 1 1234 . 1 1 104 104 VAL CA C 13 61.897 0.02 . 1 . . . . 104 VAL CA . 6913 1 1235 . 1 1 104 104 VAL CB C 13 30.177 0.02 . 1 . . . . 104 VAL CB . 6913 1 1236 . 1 1 104 104 VAL CG1 C 13 19.319 0.02 . 1 . . . . 104 VAL CG1 . 6913 1 1237 . 1 1 104 104 VAL CG2 C 13 19.319 0.02 . 1 . . . . 104 VAL CG2 . 6913 1 1238 . 1 1 104 104 VAL N N 15 123.889 0.02 . 1 . . . . 104 VAL N . 6913 1 stop_ save_