data_6086 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6086 _Entry.Title ; 1H, 13C and 15N assignments of the tandem WW domains of human MAGI-1/BAP-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-29 _Entry.Accession_date 2004-01-29 _Entry.Last_release_date 2004-07-29 _Entry.Original_release_date 2004-07-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Yusuke Kato . K. . 6086 2 Atsushi Akai . . . 6086 3 Rintaro Suzuki . . . 6086 4 Hiroshi Hosokawa . . . 6086 5 Haruaki Ninomiya . . . 6086 6 Tomoh Masaki . . . 6086 7 Koji Nagata . . . 6086 8 Masaru Tanokura . . . 6086 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6086 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 592 6086 '13C chemical shifts' 395 6086 '15N chemical shifts' 98 6086 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-07-29 2004-01-29 original author . 6086 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6086 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15243188 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N assignments of the tandem WW domains of human MAGI-1/BAP-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 4 _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 539 _Citation.Page_last 540 _Citation.Year 2004 _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 Yusuke Kato . . . 6086 1 2 Atsushi Akai . . . 6086 1 3 Rintaro Suzuki . . . 6086 1 4 Hiroshi Hosokawa . . . 6086 1 5 Haruaki Ninomiya . . . 6086 1 6 Tomoh Masaki . . . 6086 1 7 Koji Nagata . . . 6086 1 8 Masura Tanokura . . . 6086 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MAGI-1 6086 1 'WW domain' 6086 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MAGI-1_WW_domain_region _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MAGI-1_WW_domain_region _Assembly.Entry_ID 6086 _Assembly.ID 1 _Assembly.Name 'recombinant MAGI-1 tandem WW domain region' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6086 1 stop_ 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 'MAGI-1 WW domain region' 1 $MAGI-1_WW_domain_region . . . native . . . . . 6086 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'recombinant MAGI-1 tandem WW domain region' system 6086 1 'MAGI-1 WW domain region' abbreviation 6086 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAGI-1_WW_domain_region _Entity.Sf_category entity _Entity.Sf_framecode MAGI-1_WW_domain_region _Entity.Entry_ID 6086 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'membrane-associated guanylate kinase with an inverted arrangement of protein-protein interaction domains 1' _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 ; MAEDNLGPLPENWEMAYTEN GEVYFIDHNTKTTSWLDPRS LNKQQKPLEESEDDEGVHTE ELDSELELPAGWEKIEDPVY GIYYVDHINRKTQYENPVLE A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 DBJ BAA32002 . "BAI1-associated protein 1 [Homo sapiens]" . . . . . 99.01 1256 98.00 98.00 3.04e-60 . . . . 6086 1 2 no DBJ BAD90296 . "mKIAA4129 protein [Mus musculus]" . . . . . 99.01 1125 97.00 98.00 7.11e-60 . . . . 6086 1 3 no DBJ BAE37498 . "unnamed protein product [Mus musculus]" . . . . . 99.01 1181 97.00 98.00 5.92e-60 . . . . 6086 1 4 no DBJ BAF82492 . "unnamed protein product [Homo sapiens]" . . . . . 99.01 1256 98.00 98.00 3.04e-60 . . . . 6086 1 5 no DBJ BAI46753 . "membrane associated guanylate kinase, WW and PDZ domain containing 1 [synthetic construct]" . . . . . 99.01 1258 98.00 98.00 2.97e-60 . . . . 6086 1 6 no EMBL CAH91366 . "hypothetical protein [Pongo abelii]" . . . . . 99.01 1030 97.00 97.00 5.92e-60 . . . . 6086 1 7 no GB AAC04844 . "membrane associated guanylate kinase 1 [Homo sapiens]" . . . . . 99.01 677 98.00 98.00 2.90e-61 . . . . 6086 1 8 no GB AAH95943 . "Magi1 protein, partial [Mus musculus]" . . . . . 99.01 1115 97.00 98.00 4.84e-60 . . . . 6086 1 9 no GB AAI50821 . "Magi1 protein [Mus musculus]" . . . . . 99.01 1280 97.00 98.00 5.47e-60 . . . . 6086 1 10 no GB AAI67863 . "Membrane associated guanylate kinase, WW and PDZ domain containing 1 [synthetic construct]" . . . . . 99.01 1256 98.00 98.00 3.07e-60 . . . . 6086 1 11 no GB AAK94064 . "MAGI-1B alpha beta [Homo sapiens]" . . . . . 99.01 1287 98.00 98.00 3.86e-60 . . . . 6086 1 12 no REF NP_001025021 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Mus musculus]" . . . . . 99.01 1471 97.00 98.00 7.09e-60 . . . . 6086 1 13 no REF NP_001028229 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform c [Homo sapiens]" . . . . . 99.01 1462 98.00 98.00 2.80e-60 . . . . 6086 1 14 no REF NP_001076789 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform b [Mus musculus]" . . . . . 99.01 1255 97.00 98.00 3.69e-60 . . . . 6086 1 15 no REF NP_001076790 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 isoform d [Mus musculus]" . . . . . 99.01 1020 97.00 98.00 2.69e-60 . . . . 6086 1 16 no REF NP_001125806 . "membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 [Pongo abelii]" . . . . . 99.01 1030 97.00 97.00 5.92e-60 . . . . 6086 1 17 no SP Q6RHR9 . "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=BAI1-associated prote" . . . . . 99.01 1471 97.00 98.00 7.09e-60 . . . . 6086 1 18 no SP Q96QZ7 . "RecName: Full=Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1; AltName: Full=Atrophin-1-interactin" . . . . . 99.01 1491 98.00 98.00 2.38e-60 . . . . 6086 1 19 no TPG DAA17112 . "TPA: membrane associated guanylate kinase, WW and PDZ domain containing 1 [Bos taurus]" . . . . . 99.01 1452 97.00 98.00 6.33e-60 . . . . 6086 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'membrane-associated guanylate kinase with an inverted arrangement of protein-protein interaction domains 1' common 6086 1 MAGI-1 abbreviation 6086 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 . 6086 1 2 . ALA . 6086 1 3 . GLU . 6086 1 4 . ASP . 6086 1 5 . ASN . 6086 1 6 . LEU . 6086 1 7 . GLY . 6086 1 8 . PRO . 6086 1 9 . LEU . 6086 1 10 . PRO . 6086 1 11 . GLU . 6086 1 12 . ASN . 6086 1 13 . TRP . 6086 1 14 . GLU . 6086 1 15 . MET . 6086 1 16 . ALA . 6086 1 17 . TYR . 6086 1 18 . THR . 6086 1 19 . GLU . 6086 1 20 . ASN . 6086 1 21 . GLY . 6086 1 22 . GLU . 6086 1 23 . VAL . 6086 1 24 . TYR . 6086 1 25 . PHE . 6086 1 26 . ILE . 6086 1 27 . ASP . 6086 1 28 . HIS . 6086 1 29 . ASN . 6086 1 30 . THR . 6086 1 31 . LYS . 6086 1 32 . THR . 6086 1 33 . THR . 6086 1 34 . SER . 6086 1 35 . TRP . 6086 1 36 . LEU . 6086 1 37 . ASP . 6086 1 38 . PRO . 6086 1 39 . ARG . 6086 1 40 . SER . 6086 1 41 . LEU . 6086 1 42 . ASN . 6086 1 43 . LYS . 6086 1 44 . GLN . 6086 1 45 . GLN . 6086 1 46 . LYS . 6086 1 47 . PRO . 6086 1 48 . LEU . 6086 1 49 . GLU . 6086 1 50 . GLU . 6086 1 51 . SER . 6086 1 52 . GLU . 6086 1 53 . ASP . 6086 1 54 . ASP . 6086 1 55 . GLU . 6086 1 56 . GLY . 6086 1 57 . VAL . 6086 1 58 . HIS . 6086 1 59 . THR . 6086 1 60 . GLU . 6086 1 61 . GLU . 6086 1 62 . LEU . 6086 1 63 . ASP . 6086 1 64 . SER . 6086 1 65 . GLU . 6086 1 66 . LEU . 6086 1 67 . GLU . 6086 1 68 . LEU . 6086 1 69 . PRO . 6086 1 70 . ALA . 6086 1 71 . GLY . 6086 1 72 . TRP . 6086 1 73 . GLU . 6086 1 74 . LYS . 6086 1 75 . ILE . 6086 1 76 . GLU . 6086 1 77 . ASP . 6086 1 78 . PRO . 6086 1 79 . VAL . 6086 1 80 . TYR . 6086 1 81 . GLY . 6086 1 82 . ILE . 6086 1 83 . TYR . 6086 1 84 . TYR . 6086 1 85 . VAL . 6086 1 86 . ASP . 6086 1 87 . HIS . 6086 1 88 . ILE . 6086 1 89 . ASN . 6086 1 90 . ARG . 6086 1 91 . LYS . 6086 1 92 . THR . 6086 1 93 . GLN . 6086 1 94 . TYR . 6086 1 95 . GLU . 6086 1 96 . ASN . 6086 1 97 . PRO . 6086 1 98 . VAL . 6086 1 99 . LEU . 6086 1 100 . GLU . 6086 1 101 . ALA . 6086 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 6086 1 . ALA 2 2 6086 1 . GLU 3 3 6086 1 . ASP 4 4 6086 1 . ASN 5 5 6086 1 . LEU 6 6 6086 1 . GLY 7 7 6086 1 . PRO 8 8 6086 1 . LEU 9 9 6086 1 . PRO 10 10 6086 1 . GLU 11 11 6086 1 . ASN 12 12 6086 1 . TRP 13 13 6086 1 . GLU 14 14 6086 1 . MET 15 15 6086 1 . ALA 16 16 6086 1 . TYR 17 17 6086 1 . THR 18 18 6086 1 . GLU 19 19 6086 1 . ASN 20 20 6086 1 . GLY 21 21 6086 1 . GLU 22 22 6086 1 . VAL 23 23 6086 1 . TYR 24 24 6086 1 . PHE 25 25 6086 1 . ILE 26 26 6086 1 . ASP 27 27 6086 1 . HIS 28 28 6086 1 . ASN 29 29 6086 1 . THR 30 30 6086 1 . LYS 31 31 6086 1 . THR 32 32 6086 1 . THR 33 33 6086 1 . SER 34 34 6086 1 . TRP 35 35 6086 1 . LEU 36 36 6086 1 . ASP 37 37 6086 1 . PRO 38 38 6086 1 . ARG 39 39 6086 1 . SER 40 40 6086 1 . LEU 41 41 6086 1 . ASN 42 42 6086 1 . LYS 43 43 6086 1 . GLN 44 44 6086 1 . GLN 45 45 6086 1 . LYS 46 46 6086 1 . PRO 47 47 6086 1 . LEU 48 48 6086 1 . GLU 49 49 6086 1 . GLU 50 50 6086 1 . SER 51 51 6086 1 . GLU 52 52 6086 1 . ASP 53 53 6086 1 . ASP 54 54 6086 1 . GLU 55 55 6086 1 . GLY 56 56 6086 1 . VAL 57 57 6086 1 . HIS 58 58 6086 1 . THR 59 59 6086 1 . GLU 60 60 6086 1 . GLU 61 61 6086 1 . LEU 62 62 6086 1 . ASP 63 63 6086 1 . SER 64 64 6086 1 . GLU 65 65 6086 1 . LEU 66 66 6086 1 . GLU 67 67 6086 1 . LEU 68 68 6086 1 . PRO 69 69 6086 1 . ALA 70 70 6086 1 . GLY 71 71 6086 1 . TRP 72 72 6086 1 . GLU 73 73 6086 1 . LYS 74 74 6086 1 . ILE 75 75 6086 1 . GLU 76 76 6086 1 . ASP 77 77 6086 1 . PRO 78 78 6086 1 . VAL 79 79 6086 1 . TYR 80 80 6086 1 . GLY 81 81 6086 1 . ILE 82 82 6086 1 . TYR 83 83 6086 1 . TYR 84 84 6086 1 . VAL 85 85 6086 1 . ASP 86 86 6086 1 . HIS 87 87 6086 1 . ILE 88 88 6086 1 . ASN 89 89 6086 1 . ARG 90 90 6086 1 . LYS 91 91 6086 1 . THR 92 92 6086 1 . GLN 93 93 6086 1 . TYR 94 94 6086 1 . GLU 95 95 6086 1 . ASN 96 96 6086 1 . PRO 97 97 6086 1 . VAL 98 98 6086 1 . LEU 99 99 6086 1 . GLU 100 100 6086 1 . ALA 101 101 6086 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 6086 _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 $MAGI-1_WW_domain_region . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6086 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 6086 _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 $MAGI-1_WW_domain_region . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6086 _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 'membrane-associated guanylate kinase with an inverted arrangement of protein-protein interaction domains 1' . . . 1 $MAGI-1_WW_domain_region . . . 2.5 3.0 mM . . . . 6086 1 2 'sodium phosphaste' . . . . . . . 20 . . mM . . . . 6086 1 3 NaCl . . . . . . . 100 . . mM . . . . 6086 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6086 _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 6.8 0.1 n/a 6086 1 temperature 310 0.3 K 6086 1 'ionic strength' 0.16 . M 6086 1 stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6086 _Software.ID 1 _Software.Name Sparky _Software.Version 3 _Software.Details ; Goddard, T.D. and Kneller, D.G., University of California, San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'sequential assignments' 6086 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6086 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6086 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Inova . 500 . . . 6086 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6086 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 7 (HCA)CO(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 8 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 9 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 11 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6086 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6086 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Narolac z-axis gradient probe' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6086 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . . . . . . . 6086 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6086 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6086 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_shift1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift1 _Assigned_chem_shift_list.Entry_ID 6086 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6086 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.27 0.023 . 1 . . . . . . . . 6086 1 2 . 1 1 1 1 MET CA C 13 56.788 0.299 . 5 . . . . . . . . 6086 1 3 . 1 1 1 1 MET CB C 13 33.791 0.14 . 5 . . . . . . . . 6086 1 4 . 1 1 1 1 MET CG C 13 31.113 0.292 . 1 . . . . . . . . 6086 1 5 . 1 1 2 2 ALA H H 1 8.513 0.012 . 1 . . . . . . . . 6086 1 6 . 1 1 2 2 ALA HA H 1 4.427 0.026 . 2 . . . . . . . . 6086 1 7 . 1 1 2 2 ALA HB1 H 1 1.502 0.015 . 5 . . . . . . . . 6086 1 8 . 1 1 2 2 ALA HB2 H 1 1.502 0.015 . 5 . . . . . . . . 6086 1 9 . 1 1 2 2 ALA HB3 H 1 1.502 0.015 . 5 . . . . . . . . 6086 1 10 . 1 1 2 2 ALA C C 13 178.846 0.009 . 1 . . . . . . . . 6086 1 11 . 1 1 2 2 ALA CA C 13 53.251 0.067 . 1 . . . . . . . . 6086 1 12 . 1 1 2 2 ALA CB C 13 19.28 0.192 . 1 . . . . . . . . 6086 1 13 . 1 1 2 2 ALA N N 15 123.626 0.322 . 1 . . . . . . . . 6086 1 14 . 1 1 3 3 GLU H H 1 8.679 0.017 . 1 . . . . . . . . 6086 1 15 . 1 1 3 3 GLU HA H 1 4.465 0.016 . 5 . . . . . . . . 6086 1 16 . 1 1 3 3 GLU HB2 H 1 2.212 0.004 . 2 . . . . . . . . 6086 1 17 . 1 1 3 3 GLU HB3 H 1 2.084 0.004 . 2 . . . . . . . . 6086 1 18 . 1 1 3 3 GLU HG2 H 1 2.406 0.007 . 1 . . . . . . . . 6086 1 19 . 1 1 3 3 GLU HG3 H 1 2.406 0.007 . 1 . . . . . . . . 6086 1 20 . 1 1 3 3 GLU C C 13 176.12 0.05 . 1 . . . . . . . . 6086 1 21 . 1 1 3 3 GLU CA C 13 56.915 0.122 . 1 . . . . . . . . 6086 1 22 . 1 1 3 3 GLU CB C 13 30.722 0.122 . 1 . . . . . . . . 6086 1 23 . 1 1 3 3 GLU CG C 13 36.703 0.105 . 1 . . . . . . . . 6086 1 24 . 1 1 3 3 GLU N N 15 109.259 0.236 . 1 . . . . . . . . 6086 1 25 . 1 1 4 4 ASP H H 1 8.497 0.007 . 1 . . . . . . . . 6086 1 26 . 1 1 4 4 ASP HA H 1 4.748 0.001 . 1 . . . . . . . . 6086 1 27 . 1 1 4 4 ASP HB2 H 1 2.81 0.007 . 1 . . . . . . . . 6086 1 28 . 1 1 4 4 ASP HB3 H 1 2.81 0.007 . 1 . . . . . . . . 6086 1 29 . 1 1 4 4 ASP C C 13 176.186 0.024 . 1 . . . . . . . . 6086 1 30 . 1 1 4 4 ASP CA C 13 54.502 0.125 . 1 . . . . . . . . 6086 1 31 . 1 1 4 4 ASP CB C 13 41.818 0.09 . 1 . . . . . . . . 6086 1 32 . 1 1 4 4 ASP N N 15 121.186 0.082 . 1 . . . . . . . . 6086 1 33 . 1 1 5 5 ASN H H 1 8.538 0.006 . 1 . . . . . . . . 6086 1 34 . 1 1 5 5 ASN HA H 1 4.736 0.02 . 1 . . . . . . . . 6086 1 35 . 1 1 5 5 ASN HB2 H 1 2.793 0.006 . 1 . . . . . . . . 6086 1 36 . 1 1 5 5 ASN HB3 H 1 2.793 0.006 . 1 . . . . . . . . 6086 1 37 . 1 1 5 5 ASN C C 13 175.553 0.047 . 1 . . . . . . . . 6086 1 38 . 1 1 5 5 ASN CA C 13 53.692 0.14 . 1 . . . . . . . . 6086 1 39 . 1 1 5 5 ASN CB C 13 39.091 0.087 . 1 . . . . . . . . 6086 1 40 . 1 1 5 5 ASN N N 15 118.85 0.09 . 1 . . . . . . . . 6086 1 41 . 1 1 6 6 LEU H H 1 8.37 0.003 . 1 . . . . . . . . 6086 1 42 . 1 1 6 6 LEU HA H 1 4.442 0.007 . 1 . . . . . . . . 6086 1 43 . 1 1 6 6 LEU HB2 H 1 1.735 0.008 . 1 . . . . . . . . 6086 1 44 . 1 1 6 6 LEU HB3 H 1 1.735 0.008 . 1 . . . . . . . . 6086 1 45 . 1 1 6 6 LEU HD11 H 1 0.981 0.017 . 1 . . . . . . . . 6086 1 46 . 1 1 6 6 LEU HD12 H 1 0.981 0.017 . 1 . . . . . . . . 6086 1 47 . 1 1 6 6 LEU HD13 H 1 0.981 0.017 . 1 . . . . . . . . 6086 1 48 . 1 1 6 6 LEU HD21 H 1 0.981 0.017 . 1 . . . . . . . . 6086 1 49 . 1 1 6 6 LEU HD22 H 1 0.981 0.017 . 1 . . . . . . . . 6086 1 50 . 1 1 6 6 LEU HD23 H 1 0.981 0.017 . 1 . . . . . . . . 6086 1 51 . 1 1 6 6 LEU C C 13 177.953 0.019 . 1 . . . . . . . . 6086 1 52 . 1 1 6 6 LEU CA C 13 55.755 0.11 . 1 . . . . . . . . 6086 1 53 . 1 1 6 6 LEU CB C 13 43.16 0.112 . 1 . . . . . . . . 6086 1 54 . 1 1 6 6 LEU CG C 13 27.411 0.137 . 1 . . . . . . . . 6086 1 55 . 1 1 6 6 LEU CD1 C 13 25.359 0.045 . 2 . . . . . . . . 6086 1 56 . 1 1 6 6 LEU CD2 C 13 23.429 0.236 . 2 . . . . . . . . 6086 1 57 . 1 1 6 6 LEU N N 15 121.582 0.17 . 1 . . . . . . . . 6086 1 58 . 1 1 7 7 GLY H H 1 8.266 0.005 . 1 . . . . . . . . 6086 1 59 . 1 1 7 7 GLY HA2 H 1 4.118 0.013 . 2 . . . . . . . . 6086 1 60 . 1 1 7 7 GLY HA3 H 1 4.263 0.002 . 2 . . . . . . . . 6086 1 61 . 1 1 7 7 GLY C C 13 173.886 0 . 1 . . . . . . . . 6086 1 62 . 1 1 7 7 GLY CA C 13 44.744 0.034 . 1 . . . . . . . . 6086 1 63 . 1 1 7 7 GLY N N 15 108.511 0.076 . 1 . . . . . . . . 6086 1 64 . 1 1 8 8 PRO HA H 1 4.572 0.021 . 1 . . . . . . . . 6086 1 65 . 1 1 8 8 PRO HB2 H 1 2.437 0.013 . 2 . . . . . . . . 6086 1 66 . 1 1 8 8 PRO HB3 H 1 2.041 0.005 . 2 . . . . . . . . 6086 1 67 . 1 1 8 8 PRO HG2 H 1 2.135 0.023 . 1 . . . . . . . . 6086 1 68 . 1 1 8 8 PRO HG3 H 1 2.135 0.023 . 1 . . . . . . . . 6086 1 69 . 1 1 8 8 PRO HD2 H 1 3.942 0.001 . 2 . . . . . . . . 6086 1 70 . 1 1 8 8 PRO HD3 H 1 3.74 0.023 . 2 . . . . . . . . 6086 1 71 . 1 1 8 8 PRO C C 13 177.945 0.022 . 1 . . . . . . . . 6086 1 72 . 1 1 8 8 PRO CA C 13 62.85 0.019 . 1 . . . . . . . . 6086 1 73 . 1 1 8 8 PRO CB C 13 32.524 0.066 . 1 . . . . . . . . 6086 1 74 . 1 1 8 8 PRO CG C 13 27.473 0.195 . 1 . . . . . . . . 6086 1 75 . 1 1 8 8 PRO CD C 13 49.948 0.116 . 1 . . . . . . . . 6086 1 76 . 1 1 9 9 LEU H H 1 8.69 0.009 . 1 . . . . . . . . 6086 1 77 . 1 1 9 9 LEU HA H 1 4.324 0.009 . 1 . . . . . . . . 6086 1 78 . 1 1 9 9 LEU HB2 H 1 1.839 0.009 . 2 . . . . . . . . 6086 1 79 . 1 1 9 9 LEU HB3 H 1 1.671 0.007 . 2 . . . . . . . . 6086 1 80 . 1 1 9 9 LEU HD11 H 1 1.142 0.005 . 2 . . . . . . . . 6086 1 81 . 1 1 9 9 LEU HD12 H 1 1.142 0.005 . 2 . . . . . . . . 6086 1 82 . 1 1 9 9 LEU HD13 H 1 1.142 0.005 . 2 . . . . . . . . 6086 1 83 . 1 1 9 9 LEU HD21 H 1 0.964 0.006 . 2 . . . . . . . . 6086 1 84 . 1 1 9 9 LEU HD22 H 1 0.964 0.006 . 2 . . . . . . . . 6086 1 85 . 1 1 9 9 LEU HD23 H 1 0.964 0.006 . 2 . . . . . . . . 6086 1 86 . 1 1 9 9 LEU CA C 13 53.8 0.092 . 1 . . . . . . . . 6086 1 87 . 1 1 9 9 LEU CB C 13 42.074 0.056 . 1 . . . . . . . . 6086 1 88 . 1 1 9 9 LEU N N 15 123.165 0.084 . 1 . . . . . . . . 6086 1 89 . 1 1 10 10 PRO HA H 1 4.607 0.006 . 1 . . . . . . . . 6086 1 90 . 1 1 10 10 PRO HB2 H 1 2.542 0.004 . 2 . . . . . . . . 6086 1 91 . 1 1 10 10 PRO HB3 H 1 2.094 0.009 . 2 . . . . . . . . 6086 1 92 . 1 1 10 10 PRO HG2 H 1 1.9 0.004 . 2 . . . . . . . . 6086 1 93 . 1 1 10 10 PRO HG3 H 1 1.614 0.001 . 2 . . . . . . . . 6086 1 94 . 1 1 10 10 PRO HD2 H 1 3.633 0.011 . 2 . . . . . . . . 6086 1 95 . 1 1 10 10 PRO HD3 H 1 3.099 0.006 . 2 . . . . . . . . 6086 1 96 . 1 1 10 10 PRO C C 13 176.43 0.023 . 1 . . . . . . . . 6086 1 97 . 1 1 10 10 PRO CA C 13 62.762 0.042 . 1 . . . . . . . . 6086 1 98 . 1 1 10 10 PRO CB C 13 31.753 0.258 . 1 . . . . . . . . 6086 1 99 . 1 1 10 10 PRO CG C 13 27.538 0.229 . 1 . . . . . . . . 6086 1 100 . 1 1 10 10 PRO CD C 13 50.54 0.15 . 1 . . . . . . . . 6086 1 101 . 1 1 11 11 GLU H H 1 8.629 0.005 . 1 . . . . . . . . 6086 1 102 . 1 1 11 11 GLU HA H 1 4.258 0.002 . 1 . . . . . . . . 6086 1 103 . 1 1 11 11 GLU HB2 H 1 2.211 0.013 . 1 . . . . . . . . 6086 1 104 . 1 1 11 11 GLU HB3 H 1 2.211 0.013 . 1 . . . . . . . . 6086 1 105 . 1 1 11 11 GLU HG2 H 1 2.515 0.012 . 1 . . . . . . . . 6086 1 106 . 1 1 11 11 GLU HG3 H 1 2.515 0.012 . 1 . . . . . . . . 6086 1 107 . 1 1 11 11 GLU C C 13 177.242 0.019 . 1 . . . . . . . . 6086 1 108 . 1 1 11 11 GLU CA C 13 58.861 0.036 . 1 . . . . . . . . 6086 1 109 . 1 1 11 11 GLU CB C 13 30.465 0.125 . 1 . . . . . . . . 6086 1 110 . 1 1 11 11 GLU CG C 13 36.647 0.199 . 1 . . . . . . . . 6086 1 111 . 1 1 11 11 GLU N N 15 119.904 0.071 . 1 . . . . . . . . 6086 1 112 . 1 1 12 12 ASN H H 1 9.038 0.007 . 1 . . . . . . . . 6086 1 113 . 1 1 12 12 ASN HA H 1 4.692 0.004 . 1 . . . . . . . . 6086 1 114 . 1 1 12 12 ASN HB2 H 1 3.11 0.004 . 2 . . . . . . . . 6086 1 115 . 1 1 12 12 ASN HB3 H 1 2.978 0.008 . 2 . . . . . . . . 6086 1 116 . 1 1 12 12 ASN HD21 H 1 6.718 0.026 . 2 . . . . . . . . 6086 1 117 . 1 1 12 12 ASN HD22 H 1 7.523 0.009 . 2 . . . . . . . . 6086 1 118 . 1 1 12 12 ASN C C 13 173.652 0.028 . 1 . . . . . . . . 6086 1 119 . 1 1 12 12 ASN CA C 13 54.774 0.102 . 1 . . . . . . . . 6086 1 120 . 1 1 12 12 ASN CB C 13 38.211 0.09 . 1 . . . . . . . . 6086 1 121 . 1 1 12 12 ASN N N 15 115.949 0.057 . 1 . . . . . . . . 6086 1 122 . 1 1 12 12 ASN ND2 N 15 114.224 0.082 . 1 . . . . . . . . 6086 1 123 . 1 1 13 13 TRP H H 1 8.108 0.005 . 1 . . . . . . . . 6086 1 124 . 1 1 13 13 TRP HA H 1 5.851 0.007 . 1 . . . . . . . . 6086 1 125 . 1 1 13 13 TRP HB2 H 1 3.354 0.012 . 2 . . . . . . . . 6086 1 126 . 1 1 13 13 TRP HB3 H 1 3.185 0.005 . 2 . . . . . . . . 6086 1 127 . 1 1 13 13 TRP HD1 H 1 7.235 0.005 . 1 . . . . . . . . 6086 1 128 . 1 1 13 13 TRP HE1 H 1 10.348 0.004 . 1 . . . . . . . . 6086 1 129 . 1 1 13 13 TRP HE3 H 1 7.49 0.002 . 1 . . . . . . . . 6086 1 130 . 1 1 13 13 TRP C C 13 176.396 0.022 . 1 . . . . . . . . 6086 1 131 . 1 1 13 13 TRP CA C 13 57.159 0.041 . 1 . . . . . . . . 6086 1 132 . 1 1 13 13 TRP CB C 13 32.093 0.099 . 1 . . . . . . . . 6086 1 133 . 1 1 13 13 TRP CE3 C 13 120.37 0.036 . 1 . . . . . . . . 6086 1 134 . 1 1 13 13 TRP N N 15 118.196 0.067 . 1 . . . . . . . . 6086 1 135 . 1 1 13 13 TRP NE1 N 15 129.859 0.057 . 1 . . . . . . . . 6086 1 136 . 1 1 14 14 GLU H H 1 9.42 0.008 . 1 . . . . . . . . 6086 1 137 . 1 1 14 14 GLU HA H 1 4.883 0.007 . 1 . . . . . . . . 6086 1 138 . 1 1 14 14 GLU HB2 H 1 2.295 0.009 . 2 . . . . . . . . 6086 1 139 . 1 1 14 14 GLU HB3 H 1 2.17 0.005 . 2 . . . . . . . . 6086 1 140 . 1 1 14 14 GLU HG2 H 1 2.463 0.004 . 1 . . . . . . . . 6086 1 141 . 1 1 14 14 GLU HG3 H 1 2.463 0.004 . 1 . . . . . . . . 6086 1 142 . 1 1 14 14 GLU C C 13 174.519 0.019 . 1 . . . . . . . . 6086 1 143 . 1 1 14 14 GLU CA C 13 55.1 0.103 . 1 . . . . . . . . 6086 1 144 . 1 1 14 14 GLU CB C 13 35.06 0.08 . 1 . . . . . . . . 6086 1 145 . 1 1 14 14 GLU CG C 13 36.514 0.143 . 1 . . . . . . . . 6086 1 146 . 1 1 14 14 GLU N N 15 121.27 0.05 . 1 . . . . . . . . 6086 1 147 . 1 1 15 15 MET H H 1 8.821 0.007 . 1 . . . . . . . . 6086 1 148 . 1 1 15 15 MET HA H 1 4.531 0.013 . 1 . . . . . . . . 6086 1 149 . 1 1 15 15 MET HB2 H 1 2.009 0.022 . 2 . . . . . . . . 6086 1 150 . 1 1 15 15 MET HB3 H 1 1.87 0.006 . 2 . . . . . . . . 6086 1 151 . 1 1 15 15 MET HG2 H 1 1.771 0.004 . 2 . . . . . . . . 6086 1 152 . 1 1 15 15 MET HG3 H 1 1.454 0.011 . 2 . . . . . . . . 6086 1 153 . 1 1 15 15 MET C C 13 173.793 0.021 . 1 . . . . . . . . 6086 1 154 . 1 1 15 15 MET CA C 13 55.535 0.069 . 1 . . . . . . . . 6086 1 155 . 1 1 15 15 MET CB C 13 35.481 0.125 . 1 . . . . . . . . 6086 1 156 . 1 1 15 15 MET CG C 13 31.819 0.15 . 1 . . . . . . . . 6086 1 157 . 1 1 15 15 MET N N 15 125.007 0.1 . 1 . . . . . . . . 6086 1 158 . 1 1 16 16 ALA H H 1 8.503 0.007 . 1 . . . . . . . . 6086 1 159 . 1 1 16 16 ALA HA H 1 4.402 0.006 . 1 . . . . . . . . 6086 1 160 . 1 1 16 16 ALA HB1 H 1 0.656 0.005 . 1 . . . . . . . . 6086 1 161 . 1 1 16 16 ALA HB2 H 1 0.656 0.005 . 1 . . . . . . . . 6086 1 162 . 1 1 16 16 ALA HB3 H 1 0.656 0.005 . 1 . . . . . . . . 6086 1 163 . 1 1 16 16 ALA C C 13 173.033 0.019 . 1 . . . . . . . . 6086 1 164 . 1 1 16 16 ALA CA C 13 50.828 0.082 . 1 . . . . . . . . 6086 1 165 . 1 1 16 16 ALA CB C 13 22.125 0.146 . 1 . . . . . . . . 6086 1 166 . 1 1 16 16 ALA N N 15 130.626 0.154 . 1 . . . . . . . . 6086 1 167 . 1 1 17 17 TYR H H 1 7.975 0.006 . 1 . . . . . . . . 6086 1 168 . 1 1 17 17 TYR HA H 1 5.673 0.004 . 1 . . . . . . . . 6086 1 169 . 1 1 17 17 TYR HB2 H 1 3.039 0.004 . 2 . . . . . . . . 6086 1 170 . 1 1 17 17 TYR HB3 H 1 2.803 0.006 . 2 . . . . . . . . 6086 1 171 . 1 1 17 17 TYR HD1 H 1 7.045 0.009 . 1 . . . . . . . . 6086 1 172 . 1 1 17 17 TYR HD2 H 1 7.045 0.009 . 1 . . . . . . . . 6086 1 173 . 1 1 17 17 TYR HE1 H 1 6.793 0.051 . 1 . . . . . . . . 6086 1 174 . 1 1 17 17 TYR HE2 H 1 6.793 0.051 . 1 . . . . . . . . 6086 1 175 . 1 1 17 17 TYR C C 13 178.791 0.024 . 1 . . . . . . . . 6086 1 176 . 1 1 17 17 TYR CA C 13 56.422 0.099 . 1 . . . . . . . . 6086 1 177 . 1 1 17 17 TYR CB C 13 42.372 0.116 . 1 . . . . . . . . 6086 1 178 . 1 1 17 17 TYR CD1 C 13 133.492 0.027 . 1 . . . . . . . . 6086 1 179 . 1 1 17 17 TYR CD2 C 13 133.492 0.027 . 1 . . . . . . . . 6086 1 180 . 1 1 17 17 TYR CE1 C 13 118.124 0.293 . 1 . . . . . . . . 6086 1 181 . 1 1 17 17 TYR CE2 C 13 118.124 0.293 . 1 . . . . . . . . 6086 1 182 . 1 1 17 17 TYR N N 15 113.565 0.051 . 1 . . . . . . . . 6086 1 183 . 1 1 18 18 THR H H 1 9.594 0.008 . 1 . . . . . . . . 6086 1 184 . 1 1 18 18 THR HA H 1 4.936 0.028 . 1 . . . . . . . . 6086 1 185 . 1 1 18 18 THR HB H 1 5.042 0.011 . 1 . . . . . . . . 6086 1 186 . 1 1 18 18 THR HG21 H 1 1.66 0.007 . 1 . . . . . . . . 6086 1 187 . 1 1 18 18 THR HG22 H 1 1.66 0.007 . 1 . . . . . . . . 6086 1 188 . 1 1 18 18 THR HG23 H 1 1.66 0.007 . 1 . . . . . . . . 6086 1 189 . 1 1 18 18 THR C C 13 177.198 0.033 . 1 . . . . . . . . 6086 1 190 . 1 1 18 18 THR CA C 13 61.03 0.075 . 1 . . . . . . . . 6086 1 191 . 1 1 18 18 THR CB C 13 72.246 0.044 . 1 . . . . . . . . 6086 1 192 . 1 1 18 18 THR CG2 C 13 22.754 0.058 . 1 . . . . . . . . 6086 1 193 . 1 1 18 18 THR N N 15 113.974 0.065 . 1 . . . . . . . . 6086 1 194 . 1 1 19 19 GLU H H 1 9.599 0.014 . 1 . . . . . . . . 6086 1 195 . 1 1 19 19 GLU HA H 1 4.362 0.003 . 1 . . . . . . . . 6086 1 196 . 1 1 19 19 GLU HB2 H 1 2.276 0.005 . 1 . . . . . . . . 6086 1 197 . 1 1 19 19 GLU HB3 H 1 2.276 0.005 . 1 . . . . . . . . 6086 1 198 . 1 1 19 19 GLU HG2 H 1 2.514 0.011 . 1 . . . . . . . . 6086 1 199 . 1 1 19 19 GLU HG3 H 1 2.514 0.011 . 1 . . . . . . . . 6086 1 200 . 1 1 19 19 GLU C C 13 176.95 0.018 . 1 . . . . . . . . 6086 1 201 . 1 1 19 19 GLU CA C 13 59.326 0.04 . 1 . . . . . . . . 6086 1 202 . 1 1 19 19 GLU CB C 13 29.6 0.103 . 1 . . . . . . . . 6086 1 203 . 1 1 19 19 GLU CG C 13 36.488 0.137 . 1 . . . . . . . . 6086 1 204 . 1 1 19 19 GLU N N 15 121.527 0.075 . 1 . . . . . . . . 6086 1 205 . 1 1 20 20 ASN H H 1 7.988 0.008 . 1 . . . . . . . . 6086 1 206 . 1 1 20 20 ASN HA H 1 5.093 0.003 . 1 . . . . . . . . 6086 1 207 . 1 1 20 20 ASN HB2 H 1 3.142 0.009 . 2 . . . . . . . . 6086 1 208 . 1 1 20 20 ASN HB3 H 1 2.925 0.012 . 2 . . . . . . . . 6086 1 209 . 1 1 20 20 ASN HD21 H 1 7.135 0.008 . 1 . . . . . . . . 6086 1 210 . 1 1 20 20 ASN HD22 H 1 7.135 0.008 . 1 . . . . . . . . 6086 1 211 . 1 1 20 20 ASN C C 13 175.75 0.024 . 1 . . . . . . . . 6086 1 212 . 1 1 20 20 ASN CA C 13 52.965 0.077 . 1 . . . . . . . . 6086 1 213 . 1 1 20 20 ASN CB C 13 39.176 0.096 . 1 . . . . . . . . 6086 1 214 . 1 1 20 20 ASN N N 15 114.523 0.052 . 1 . . . . . . . . 6086 1 215 . 1 1 20 20 ASN ND2 N 15 113.458 0.003 . 1 . . . . . . . . 6086 1 216 . 1 1 21 21 GLY H H 1 8.265 0.006 . 1 . . . . . . . . 6086 1 217 . 1 1 21 21 GLY HA2 H 1 3.873 0.011 . 2 . . . . . . . . 6086 1 218 . 1 1 21 21 GLY HA3 H 1 4.358 0.006 . 2 . . . . . . . . 6086 1 219 . 1 1 21 21 GLY C C 13 174.573 0.015 . 1 . . . . . . . . 6086 1 220 . 1 1 21 21 GLY CA C 13 46.183 0.247 . 1 . . . . . . . . 6086 1 221 . 1 1 21 21 GLY N N 15 108.378 0.059 . 1 . . . . . . . . 6086 1 222 . 1 1 22 22 GLU H H 1 7.88 0.005 . 1 . . . . . . . . 6086 1 223 . 1 1 22 22 GLU HA H 1 4.72 0.003 . 1 . . . . . . . . 6086 1 224 . 1 1 22 22 GLU HB2 H 1 2.44 0.012 . 1 . . . . . . . . 6086 1 225 . 1 1 22 22 GLU HB3 H 1 2.44 0.012 . 1 . . . . . . . . 6086 1 226 . 1 1 22 22 GLU HG2 H 1 2.438 0.044 . 1 . . . . . . . . 6086 1 227 . 1 1 22 22 GLU HG3 H 1 2.438 0.044 . 1 . . . . . . . . 6086 1 228 . 1 1 22 22 GLU C C 13 175.89 0.022 . 1 . . . . . . . . 6086 1 229 . 1 1 22 22 GLU CA C 13 56.504 0.055 . 5 . . . . . . . . 6086 1 230 . 1 1 22 22 GLU CB C 13 30.731 0.11 . 1 . . . . . . . . 6086 1 231 . 1 1 22 22 GLU CG C 13 36.884 0.15 . 1 . . . . . . . . 6086 1 232 . 1 1 22 22 GLU N N 15 120.068 0.081 . 1 . . . . . . . . 6086 1 233 . 1 1 23 23 VAL H H 1 8.515 0.009 . 1 . . . . . . . . 6086 1 234 . 1 1 23 23 VAL HA H 1 4.624 0.011 . 1 . . . . . . . . 6086 1 235 . 1 1 23 23 VAL HB H 1 1.96 0.004 . 1 . . . . . . . . 6086 1 236 . 1 1 23 23 VAL HG11 H 1 0.8 0.014 . 1 . . . . . . . . 6086 1 237 . 1 1 23 23 VAL HG12 H 1 0.8 0.014 . 1 . . . . . . . . 6086 1 238 . 1 1 23 23 VAL HG13 H 1 0.8 0.014 . 1 . . . . . . . . 6086 1 239 . 1 1 23 23 VAL HG21 H 1 0.8 0.014 . 1 . . . . . . . . 6086 1 240 . 1 1 23 23 VAL HG22 H 1 0.8 0.014 . 1 . . . . . . . . 6086 1 241 . 1 1 23 23 VAL HG23 H 1 0.8 0.014 . 1 . . . . . . . . 6086 1 242 . 1 1 23 23 VAL C C 13 174.761 0.018 . 1 . . . . . . . . 6086 1 243 . 1 1 23 23 VAL CA C 13 61.784 0.21 . 1 . . . . . . . . 6086 1 244 . 1 1 23 23 VAL CB C 13 33.838 0.125 . 5 . . . . . . . . 6086 1 245 . 1 1 23 23 VAL CG1 C 13 21.744 0.017 . 1 . . . . . . . . 6086 1 246 . 1 1 23 23 VAL CG2 C 13 21.744 0.017 . 1 . . . . . . . . 6086 1 247 . 1 1 23 23 VAL N N 15 123.612 0.126 . 1 . . . . . . . . 6086 1 248 . 1 1 24 24 TYR H H 1 8.546 0.008 . 1 . . . . . . . . 6086 1 249 . 1 1 24 24 TYR HA H 1 4.653 0.001 . 1 . . . . . . . . 6086 1 250 . 1 1 24 24 TYR HB2 H 1 2.455 0.005 . 2 . . . . . . . . 6086 1 251 . 1 1 24 24 TYR HB3 H 1 2.352 0.006 . 2 . . . . . . . . 6086 1 252 . 1 1 24 24 TYR HD1 H 1 6.755 0.018 . 1 . . . . . . . . 6086 1 253 . 1 1 24 24 TYR HD2 H 1 6.755 0.018 . 1 . . . . . . . . 6086 1 254 . 1 1 24 24 TYR HE1 H 1 6.423 0.009 . 1 . . . . . . . . 6086 1 255 . 1 1 24 24 TYR HE2 H 1 6.423 0.009 . 1 . . . . . . . . 6086 1 256 . 1 1 24 24 TYR C C 13 171.184 0.023 . 1 . . . . . . . . 6086 1 257 . 1 1 24 24 TYR CA C 13 55.979 0.162 . 1 . . . . . . . . 6086 1 258 . 1 1 24 24 TYR CB C 13 39.215 0.085 . 1 . . . . . . . . 6086 1 259 . 1 1 24 24 TYR CD1 C 13 133.982 0.015 . 1 . . . . . . . . 6086 1 260 . 1 1 24 24 TYR CD2 C 13 133.982 0.015 . 1 . . . . . . . . 6086 1 261 . 1 1 24 24 TYR CE1 C 13 117.642 0.083 . 1 . . . . . . . . 6086 1 262 . 1 1 24 24 TYR CE2 C 13 117.642 0.083 . 1 . . . . . . . . 6086 1 263 . 1 1 24 24 TYR N N 15 122.981 0.063 . 1 . . . . . . . . 6086 1 264 . 1 1 25 25 PHE H H 1 8.808 0.006 . 1 . . . . . . . . 6086 1 265 . 1 1 25 25 PHE HA H 1 5.355 0.003 . 1 . . . . . . . . 6086 1 266 . 1 1 25 25 PHE HB2 H 1 3.261 0.02 . 2 . . . . . . . . 6086 1 267 . 1 1 25 25 PHE HB3 H 1 3.085 0.005 . 2 . . . . . . . . 6086 1 268 . 1 1 25 25 PHE HD1 H 1 7.072 0.008 . 1 . . . . . . . . 6086 1 269 . 1 1 25 25 PHE HD2 H 1 7.072 0.008 . 1 . . . . . . . . 6086 1 270 . 1 1 25 25 PHE HE1 H 1 7.484 0.009 . 1 . . . . . . . . 6086 1 271 . 1 1 25 25 PHE HE2 H 1 7.484 0.009 . 1 . . . . . . . . 6086 1 272 . 1 1 25 25 PHE C C 13 174.892 0.021 . 1 . . . . . . . . 6086 1 273 . 1 1 25 25 PHE CA C 13 56.898 0.108 . 1 . . . . . . . . 6086 1 274 . 1 1 25 25 PHE CB C 13 42.898 0.087 . 1 . . . . . . . . 6086 1 275 . 1 1 25 25 PHE N N 15 115.952 0.049 . 1 . . . . . . . . 6086 1 276 . 1 1 26 26 ILE H H 1 9.404 0.007 . 1 . . . . . . . . 6086 1 277 . 1 1 26 26 ILE HA H 1 4.436 0.01 . 1 . . . . . . . . 6086 1 278 . 1 1 26 26 ILE HB H 1 1.506 0.008 . 1 . . . . . . . . 6086 1 279 . 1 1 26 26 ILE HG12 H 1 1.348 0.006 . 2 . . . . . . . . 6086 1 280 . 1 1 26 26 ILE HG13 H 1 0.864 0.009 . 2 . . . . . . . . 6086 1 281 . 1 1 26 26 ILE HG21 H 1 0.359 0.008 . 1 . . . . . . . . 6086 1 282 . 1 1 26 26 ILE HG22 H 1 0.359 0.008 . 1 . . . . . . . . 6086 1 283 . 1 1 26 26 ILE HG23 H 1 0.359 0.008 . 1 . . . . . . . . 6086 1 284 . 1 1 26 26 ILE HD11 H 1 0.736 0.007 . 1 . . . . . . . . 6086 1 285 . 1 1 26 26 ILE HD12 H 1 0.736 0.007 . 1 . . . . . . . . 6086 1 286 . 1 1 26 26 ILE HD13 H 1 0.736 0.007 . 1 . . . . . . . . 6086 1 287 . 1 1 26 26 ILE C C 13 174.134 0.016 . 1 . . . . . . . . 6086 1 288 . 1 1 26 26 ILE CA C 13 60.785 0.058 . 1 . . . . . . . . 6086 1 289 . 1 1 26 26 ILE CB C 13 41.937 0.094 . 1 . . . . . . . . 6086 1 290 . 1 1 26 26 ILE CG1 C 13 28.055 0.057 . 2 . . . . . . . . 6086 1 291 . 1 1 26 26 ILE CG2 C 13 16.714 0.068 . 2 . . . . . . . . 6086 1 292 . 1 1 26 26 ILE CD1 C 13 14.712 0.067 . 1 . . . . . . . . 6086 1 293 . 1 1 26 26 ILE N N 15 122.708 0.073 . 1 . . . . . . . . 6086 1 294 . 1 1 27 27 ASP H H 1 8.247 0.005 . 1 . . . . . . . . 6086 1 295 . 1 1 27 27 ASP HA H 1 3.975 0.01 . 1 . . . . . . . . 6086 1 296 . 1 1 27 27 ASP HB2 H 1 2.272 0.006 . 2 . . . . . . . . 6086 1 297 . 1 1 27 27 ASP HB3 H 1 0.602 0.029 . 2 . . . . . . . . 6086 1 298 . 1 1 27 27 ASP C C 13 178.016 0.011 . 1 . . . . . . . . 6086 1 299 . 1 1 27 27 ASP CA C 13 51.822 0.101 . 1 . . . . . . . . 6086 1 300 . 1 1 27 27 ASP CB C 13 40.04 0.066 . 1 . . . . . . . . 6086 1 301 . 1 1 27 27 ASP N N 15 125.456 0.116 . 1 . . . . . . . . 6086 1 302 . 1 1 28 28 HIS H H 1 8.827 0.005 . 1 . . . . . . . . 6086 1 303 . 1 1 28 28 HIS HA H 1 4.687 0.28 . 1 . . . . . . . . 6086 1 304 . 1 1 28 28 HIS HB2 H 1 3.392 0.002 . 2 . . . . . . . . 6086 1 305 . 1 1 28 28 HIS HB3 H 1 3.282 0.003 . 2 . . . . . . . . 6086 1 306 . 1 1 28 28 HIS C C 13 176.897 0.02 . 1 . . . . . . . . 6086 1 307 . 1 1 28 28 HIS CA C 13 58.954 0.031 . 1 . . . . . . . . 6086 1 308 . 1 1 28 28 HIS CB C 13 30.19 0.211 . 1 . . . . . . . . 6086 1 309 . 1 1 28 28 HIS N N 15 123.167 0.056 . 1 . . . . . . . . 6086 1 310 . 1 1 29 29 ASN H H 1 8.76 0.004 . 1 . . . . . . . . 6086 1 311 . 1 1 29 29 ASN HA H 1 4.7 0.008 . 1 . . . . . . . . 6086 1 312 . 1 1 29 29 ASN HB2 H 1 3.32 0.004 . 2 . . . . . . . . 6086 1 313 . 1 1 29 29 ASN HB3 H 1 2.958 0.009 . 2 . . . . . . . . 6086 1 314 . 1 1 29 29 ASN HD21 H 1 7.221 0.003 . 2 . . . . . . . . 6086 1 315 . 1 1 29 29 ASN HD22 H 1 8.092 0.005 . 2 . . . . . . . . 6086 1 316 . 1 1 29 29 ASN C C 13 176.893 0.02 . 1 . . . . . . . . 6086 1 317 . 1 1 29 29 ASN CA C 13 56.16 0.097 . 1 . . . . . . . . 6086 1 318 . 1 1 29 29 ASN CB C 13 38.84 0.087 . 1 . . . . . . . . 6086 1 319 . 1 1 29 29 ASN N N 15 117.144 0.05 . 1 . . . . . . . . 6086 1 320 . 1 1 29 29 ASN ND2 N 15 115.456 0.033 . 1 . . . . . . . . 6086 1 321 . 1 1 30 30 THR H H 1 6.954 0.013 . 1 . . . . . . . . 6086 1 322 . 1 1 30 30 THR HA H 1 4.44 0.022 . 1 . . . . . . . . 6086 1 323 . 1 1 30 30 THR HB H 1 4.42 0.027 . 1 . . . . . . . . 6086 1 324 . 1 1 30 30 THR HG21 H 1 1.291 0.006 . 1 . . . . . . . . 6086 1 325 . 1 1 30 30 THR HG22 H 1 1.291 0.006 . 1 . . . . . . . . 6086 1 326 . 1 1 30 30 THR HG23 H 1 1.291 0.006 . 1 . . . . . . . . 6086 1 327 . 1 1 30 30 THR C C 13 174.758 0.026 . 1 . . . . . . . . 6086 1 328 . 1 1 30 30 THR CA C 13 61.796 0.225 . 1 . . . . . . . . 6086 1 329 . 1 1 30 30 THR CB C 13 70.777 0.18 . 1 . . . . . . . . 6086 1 330 . 1 1 30 30 THR CG2 C 13 21.624 0.086 . 1 . . . . . . . . 6086 1 331 . 1 1 30 30 THR N N 15 105.598 0.089 . 1 . . . . . . . . 6086 1 332 . 1 1 31 31 LYS H H 1 8.265 0.011 . 1 . . . . . . . . 6086 1 333 . 1 1 31 31 LYS HA H 1 3.902 0.006 . 1 . . . . . . . . 6086 1 334 . 1 1 31 31 LYS HB2 H 1 2.233 0.012 . 2 . . . . . . . . 6086 1 335 . 1 1 31 31 LYS HB3 H 1 1.959 0.004 . 2 . . . . . . . . 6086 1 336 . 1 1 31 31 LYS HG2 H 1 1.445 0.007 . 1 . . . . . . . . 6086 1 337 . 1 1 31 31 LYS HG3 H 1 1.445 0.007 . 1 . . . . . . . . 6086 1 338 . 1 1 31 31 LYS HD2 H 1 1.751 0.007 . 1 . . . . . . . . 6086 1 339 . 1 1 31 31 LYS HD3 H 1 1.751 0.007 . 1 . . . . . . . . 6086 1 340 . 1 1 31 31 LYS HE2 H 1 3.141 0.007 . 1 . . . . . . . . 6086 1 341 . 1 1 31 31 LYS HE3 H 1 3.141 0.007 . 1 . . . . . . . . 6086 1 342 . 1 1 31 31 LYS C C 13 175.966 0.038 . 1 . . . . . . . . 6086 1 343 . 1 1 31 31 LYS CA C 13 57.438 0.097 . 1 . . . . . . . . 6086 1 344 . 1 1 31 31 LYS CB C 13 29.318 0.117 . 1 . . . . . . . . 6086 1 345 . 1 1 31 31 LYS CG C 13 25.245 0.109 . 1 . . . . . . . . 6086 1 346 . 1 1 31 31 LYS CD C 13 35.787 0.246 . 1 . . . . . . . . 6086 1 347 . 1 1 31 31 LYS CE C 13 42.523 0.078 . 1 . . . . . . . . 6086 1 348 . 1 1 31 31 LYS N N 15 119.515 0.07 . 1 . . . . . . . . 6086 1 349 . 1 1 32 32 THR H H 1 7.548 0.01 . 1 . . . . . . . . 6086 1 350 . 1 1 32 32 THR HA H 1 4.769 0.002 . 1 . . . . . . . . 6086 1 351 . 1 1 32 32 THR HB H 1 4.237 0.006 . 1 . . . . . . . . 6086 1 352 . 1 1 32 32 THR HG21 H 1 1.319 0.005 . 1 . . . . . . . . 6086 1 353 . 1 1 32 32 THR HG22 H 1 1.319 0.005 . 1 . . . . . . . . 6086 1 354 . 1 1 32 32 THR HG23 H 1 1.319 0.005 . 1 . . . . . . . . 6086 1 355 . 1 1 32 32 THR C C 13 173.652 0.039 . 1 . . . . . . . . 6086 1 356 . 1 1 32 32 THR CA C 13 61.033 0.051 . 1 . . . . . . . . 6086 1 357 . 1 1 32 32 THR CB C 13 72.094 0.202 . 1 . . . . . . . . 6086 1 358 . 1 1 32 32 THR CG2 C 13 21.893 0.112 . 1 . . . . . . . . 6086 1 359 . 1 1 32 32 THR N N 15 110.473 0.049 . 1 . . . . . . . . 6086 1 360 . 1 1 33 33 THR H H 1 8.35 0.005 . 1 . . . . . . . . 6086 1 361 . 1 1 33 33 THR HA H 1 5.391 0.005 . 1 . . . . . . . . 6086 1 362 . 1 1 33 33 THR HB H 1 4.167 0.005 . 1 . . . . . . . . 6086 1 363 . 1 1 33 33 THR HG21 H 1 1.161 0.005 . 1 . . . . . . . . 6086 1 364 . 1 1 33 33 THR HG22 H 1 1.161 0.005 . 1 . . . . . . . . 6086 1 365 . 1 1 33 33 THR HG23 H 1 1.161 0.005 . 1 . . . . . . . . 6086 1 366 . 1 1 33 33 THR C C 13 174.468 0.006 . 1 . . . . . . . . 6086 1 367 . 1 1 33 33 THR CA C 13 60.472 0.101 . 1 . . . . . . . . 6086 1 368 . 1 1 33 33 THR CB C 13 71.863 0.069 . 1 . . . . . . . . 6086 1 369 . 1 1 33 33 THR CG2 C 13 22.497 0.116 . 1 . . . . . . . . 6086 1 370 . 1 1 33 33 THR N N 15 113.049 0.057 . 1 . . . . . . . . 6086 1 371 . 1 1 34 34 SER H H 1 9.448 0.007 . 1 . . . . . . . . 6086 1 372 . 1 1 34 34 SER HA H 1 4.948 0.003 . 1 . . . . . . . . 6086 1 373 . 1 1 34 34 SER HB2 H 1 4.137 0.053 . 2 . . . . . . . . 6086 1 374 . 1 1 34 34 SER HB3 H 1 3.961 0.017 . 2 . . . . . . . . 6086 1 375 . 1 1 34 34 SER C C 13 174.565 0.04 . 1 . . . . . . . . 6086 1 376 . 1 1 34 34 SER CA C 13 57.271 0.042 . 1 . . . . . . . . 6086 1 377 . 1 1 34 34 SER CB C 13 66.017 0.071 . 1 . . . . . . . . 6086 1 378 . 1 1 34 34 SER N N 15 115.514 0.051 . 1 . . . . . . . . 6086 1 379 . 1 1 35 35 TRP H H 1 8.976 0.016 . 1 . . . . . . . . 6086 1 380 . 1 1 35 35 TRP HA H 1 5.098 0.003 . 1 . . . . . . . . 6086 1 381 . 1 1 35 35 TRP HB2 H 1 3.794 0.009 . 2 . . . . . . . . 6086 1 382 . 1 1 35 35 TRP HB3 H 1 3.267 0.005 . 2 . . . . . . . . 6086 1 383 . 1 1 35 35 TRP HD1 H 1 7.469 0.005 . 1 . . . . . . . . 6086 1 384 . 1 1 35 35 TRP HE1 H 1 10.1 0.004 . 1 . . . . . . . . 6086 1 385 . 1 1 35 35 TRP HE3 H 1 8.079 0.004 . 1 . . . . . . . . 6086 1 386 . 1 1 35 35 TRP HZ3 H 1 7.076 0.009 . 1 . . . . . . . . 6086 1 387 . 1 1 35 35 TRP HH2 H 1 7.114 0.004 . 1 . . . . . . . . 6086 1 388 . 1 1 35 35 TRP C C 13 175.952 0.013 . 1 . . . . . . . . 6086 1 389 . 1 1 35 35 TRP CA C 13 58.49 0.163 . 1 . . . . . . . . 6086 1 390 . 1 1 35 35 TRP CB C 13 30.166 0.097 . 1 . . . . . . . . 6086 1 391 . 1 1 35 35 TRP CE3 C 13 122.134 0.046 . 1 . . . . . . . . 6086 1 392 . 1 1 35 35 TRP CZ3 C 13 122.191 0.032 . 1 . . . . . . . . 6086 1 393 . 1 1 35 35 TRP CH2 C 13 124.667 0.005 . 1 . . . . . . . . 6086 1 394 . 1 1 35 35 TRP N N 15 125.609 0.117 . 1 . . . . . . . . 6086 1 395 . 1 1 35 35 TRP NE1 N 15 128.763 0.083 . 1 . . . . . . . . 6086 1 396 . 1 1 36 36 LEU H H 1 8.212 0.006 . 1 . . . . . . . . 6086 1 397 . 1 1 36 36 LEU HA H 1 4.554 0.019 . 1 . . . . . . . . 6086 1 398 . 1 1 36 36 LEU HB2 H 1 1.469 0.022 . 1 . . . . . . . . 6086 1 399 . 1 1 36 36 LEU HB3 H 1 1.469 0.022 . 1 . . . . . . . . 6086 1 400 . 1 1 36 36 LEU HG H 1 1.579 0.021 . 1 . . . . . . . . 6086 1 401 . 1 1 36 36 LEU HD11 H 1 0.932 0.028 . 1 . . . . . . . . 6086 1 402 . 1 1 36 36 LEU HD12 H 1 0.932 0.028 . 1 . . . . . . . . 6086 1 403 . 1 1 36 36 LEU HD13 H 1 0.932 0.028 . 1 . . . . . . . . 6086 1 404 . 1 1 36 36 LEU HD21 H 1 0.932 0.028 . 1 . . . . . . . . 6086 1 405 . 1 1 36 36 LEU HD22 H 1 0.932 0.028 . 1 . . . . . . . . 6086 1 406 . 1 1 36 36 LEU HD23 H 1 0.932 0.028 . 1 . . . . . . . . 6086 1 407 . 1 1 36 36 LEU C C 13 175.467 0.014 . 1 . . . . . . . . 6086 1 408 . 1 1 36 36 LEU CA C 13 54.068 0.077 . 1 . . . . . . . . 6086 1 409 . 1 1 36 36 LEU CB C 13 43.373 0.089 . 1 . . . . . . . . 6086 1 410 . 1 1 36 36 LEU CG C 13 27.163 0.062 . 5 . . . . . . . . 6086 1 411 . 1 1 36 36 LEU CD1 C 13 24.416 0.029 . 1 . . . . . . . . 6086 1 412 . 1 1 36 36 LEU CD2 C 13 24.416 0.029 . 1 . . . . . . . . 6086 1 413 . 1 1 36 36 LEU N N 15 121.421 0.058 . 1 . . . . . . . . 6086 1 414 . 1 1 37 37 ASP H H 1 8.329 0.006 . 1 . . . . . . . . 6086 1 415 . 1 1 37 37 ASP HA H 1 3.104 0.024 . 1 . . . . . . . . 6086 1 416 . 1 1 37 37 ASP HB2 H 1 2.737 0.013 . 2 . . . . . . . . 6086 1 417 . 1 1 37 37 ASP HB3 H 1 2.415 0.009 . 2 . . . . . . . . 6086 1 418 . 1 1 37 37 ASP C C 13 176.095 0 . 1 . . . . . . . . 6086 1 419 . 1 1 37 37 ASP CA C 13 50.958 0.059 . 1 . . . . . . . . 6086 1 420 . 1 1 37 37 ASP CB C 13 42.149 0.056 . 1 . . . . . . . . 6086 1 421 . 1 1 37 37 ASP N N 15 125.126 0.114 . 1 . . . . . . . . 6086 1 422 . 1 1 38 38 PRO HA H 1 3.993 0.007 . 1 . . . . . . . . 6086 1 423 . 1 1 38 38 PRO HB2 H 1 1.145 0.01 . 1 . . . . . . . . 6086 1 424 . 1 1 38 38 PRO HB3 H 1 1.145 0.01 . 1 . . . . . . . . 6086 1 425 . 1 1 38 38 PRO HG2 H 1 0.81 0.024 . 2 . . . . . . . . 6086 1 426 . 1 1 38 38 PRO HG3 H 1 0.486 0.015 . 2 . . . . . . . . 6086 1 427 . 1 1 38 38 PRO HD2 H 1 2.806 0.019 . 1 . . . . . . . . 6086 1 428 . 1 1 38 38 PRO HD3 H 1 2.806 0.019 . 1 . . . . . . . . 6086 1 429 . 1 1 38 38 PRO C C 13 178.168 0.023 . 1 . . . . . . . . 6086 1 430 . 1 1 38 38 PRO CA C 13 63.952 0.259 . 1 . . . . . . . . 6086 1 431 . 1 1 38 38 PRO CB C 13 31.468 0.107 . 1 . . . . . . . . 6086 1 432 . 1 1 38 38 PRO CG C 13 26.647 0.102 . 1 . . . . . . . . 6086 1 433 . 1 1 38 38 PRO CD C 13 50.263 0.112 . 1 . . . . . . . . 6086 1 434 . 1 1 39 39 ARG H H 1 8.648 0.005 . 1 . . . . . . . . 6086 1 435 . 1 1 39 39 ARG HA H 1 4.1 0.005 . 1 . . . . . . . . 6086 1 436 . 1 1 39 39 ARG HB2 H 1 1.981 0.003 . 2 . . . . . . . . 6086 1 437 . 1 1 39 39 ARG HB3 H 1 1.77 0.004 . 2 . . . . . . . . 6086 1 438 . 1 1 39 39 ARG HG2 H 1 1.405 0.005 . 2 . . . . . . . . 6086 1 439 . 1 1 39 39 ARG HG3 H 1 1.846 0.008 . 2 . . . . . . . . 6086 1 440 . 1 1 39 39 ARG HD2 H 1 2.976 0.008 . 1 . . . . . . . . 6086 1 441 . 1 1 39 39 ARG HD3 H 1 2.976 0.008 . 1 . . . . . . . . 6086 1 442 . 1 1 39 39 ARG C C 13 177.469 0.018 . 1 . . . . . . . . 6086 1 443 . 1 1 39 39 ARG CA C 13 57.529 0.049 . 1 . . . . . . . . 6086 1 444 . 1 1 39 39 ARG CB C 13 30.333 0.113 . 1 . . . . . . . . 6086 1 445 . 1 1 39 39 ARG CG C 13 26.953 0.128 . 1 . . . . . . . . 6086 1 446 . 1 1 39 39 ARG CD C 13 43.498 0.085 . 1 . . . . . . . . 6086 1 447 . 1 1 39 39 ARG N N 15 118.967 0.095 . 1 . . . . . . . . 6086 1 448 . 1 1 40 40 SER H H 1 7.792 0.005 . 1 . . . . . . . . 6086 1 449 . 1 1 40 40 SER HA H 1 4.443 0.003 . 1 . . . . . . . . 6086 1 450 . 1 1 40 40 SER HB2 H 1 3.985 0.009 . 1 . . . . . . . . 6086 1 451 . 1 1 40 40 SER HB3 H 1 3.985 0.009 . 1 . . . . . . . . 6086 1 452 . 1 1 40 40 SER C C 13 174.707 0.003 . 1 . . . . . . . . 6086 1 453 . 1 1 40 40 SER CA C 13 59.088 0.052 . 1 . . . . . . . . 6086 1 454 . 1 1 40 40 SER CB C 13 64.251 0.058 . 1 . . . . . . . . 6086 1 455 . 1 1 40 40 SER N N 15 113.507 0.053 . 1 . . . . . . . . 6086 1 456 . 1 1 41 41 LEU H H 1 7.539 0.005 . 1 . . . . . . . . 6086 1 457 . 1 1 41 41 LEU HA H 1 4.349 0.01 . 1 . . . . . . . . 6086 1 458 . 1 1 41 41 LEU HB2 H 1 1.675 0.014 . 1 . . . . . . . . 6086 1 459 . 1 1 41 41 LEU HB3 H 1 1.675 0.014 . 1 . . . . . . . . 6086 1 460 . 1 1 41 41 LEU HG H 1 1.661 0.018 . 1 . . . . . . . . 6086 1 461 . 1 1 41 41 LEU HD11 H 1 0.934 0.011 . 2 . . . . . . . . 6086 1 462 . 1 1 41 41 LEU HD12 H 1 0.934 0.011 . 2 . . . . . . . . 6086 1 463 . 1 1 41 41 LEU HD13 H 1 0.934 0.011 . 2 . . . . . . . . 6086 1 464 . 1 1 41 41 LEU HD21 H 1 0.907 0.015 . 2 . . . . . . . . 6086 1 465 . 1 1 41 41 LEU HD22 H 1 0.907 0.015 . 2 . . . . . . . . 6086 1 466 . 1 1 41 41 LEU HD23 H 1 0.907 0.015 . 2 . . . . . . . . 6086 1 467 . 1 1 41 41 LEU C C 13 177.294 0.019 . 1 . . . . . . . . 6086 1 468 . 1 1 41 41 LEU CA C 13 55.879 0.067 . 1 . . . . . . . . 6086 1 469 . 1 1 41 41 LEU CB C 13 42.475 0.07 . 1 . . . . . . . . 6086 1 470 . 1 1 41 41 LEU CG C 13 27.233 0.099 . 1 . . . . . . . . 6086 1 471 . 1 1 41 41 LEU CD1 C 13 25.277 0.131 . 2 . . . . . . . . 6086 1 472 . 1 1 41 41 LEU CD2 C 13 23.614 0.139 . 2 . . . . . . . . 6086 1 473 . 1 1 41 41 LEU N N 15 122.461 0.076 . 1 . . . . . . . . 6086 1 474 . 1 1 42 42 ASN H H 1 8.249 0.005 . 1 . . . . . . . . 6086 1 475 . 1 1 42 42 ASN HA H 1 4.841 0.027 . 1 . . . . . . . . 6086 1 476 . 1 1 42 42 ASN HB2 H 1 2.926 0.032 . 1 . . . . . . . . 6086 1 477 . 1 1 42 42 ASN HB3 H 1 2.926 0.032 . 1 . . . . . . . . 6086 1 478 . 1 1 42 42 ASN C C 13 175.351 0.006 . 1 . . . . . . . . 6086 1 479 . 1 1 42 42 ASN CA C 13 53.673 0.094 . 1 . . . . . . . . 6086 1 480 . 1 1 42 42 ASN CB C 13 39.097 0.077 . 1 . . . . . . . . 6086 1 481 . 1 1 42 42 ASN N N 15 118.325 0.075 . 1 . . . . . . . . 6086 1 482 . 1 1 43 43 LYS H H 1 8.178 0.006 . 1 . . . . . . . . 6086 1 483 . 1 1 43 43 LYS HA H 1 4.427 0.006 . 1 . . . . . . . . 6086 1 484 . 1 1 43 43 LYS HB2 H 1 1.954 0.045 . 2 . . . . . . . . 6086 1 485 . 1 1 43 43 LYS HB3 H 1 1.873 0.005 . 2 . . . . . . . . 6086 1 486 . 1 1 43 43 LYS HG2 H 1 1.554 0.018 . 1 . . . . . . . . 6086 1 487 . 1 1 43 43 LYS HG3 H 1 1.554 0.018 . 1 . . . . . . . . 6086 1 488 . 1 1 43 43 LYS HD2 H 1 1.815 0.004 . 1 . . . . . . . . 6086 1 489 . 1 1 43 43 LYS HD3 H 1 1.815 0.004 . 1 . . . . . . . . 6086 1 490 . 1 1 43 43 LYS HE2 H 1 3.137 0.011 . 1 . . . . . . . . 6086 1 491 . 1 1 43 43 LYS HE3 H 1 3.137 0.011 . 1 . . . . . . . . 6086 1 492 . 1 1 43 43 LYS C C 13 176.65 0.009 . 1 . . . . . . . . 6086 1 493 . 1 1 43 43 LYS CA C 13 56.759 0.076 . 1 . . . . . . . . 6086 1 494 . 1 1 43 43 LYS CB C 13 33.281 0.144 . 1 . . . . . . . . 6086 1 495 . 1 1 43 43 LYS CG C 13 24.986 0.232 . 1 . . . . . . . . 6086 1 496 . 1 1 43 43 LYS CD C 13 29.226 0.189 . 1 . . . . . . . . 6086 1 497 . 1 1 43 43 LYS CE C 13 45.633 0.047 . 1 . . . . . . . . 6086 1 498 . 1 1 43 43 LYS N N 15 121.206 0.106 . 1 . . . . . . . . 6086 1 499 . 1 1 44 44 GLN H H 1 8.389 0.009 . 1 . . . . . . . . 6086 1 500 . 1 1 44 44 GLN HA H 1 4.449 0.005 . 1 . . . . . . . . 6086 1 501 . 1 1 44 44 GLN C C 13 175.672 0 . 1 . . . . . . . . 6086 1 502 . 1 1 44 44 GLN CA C 13 56.293 0.085 . 5 . . . . . . . . 6086 1 503 . 1 1 44 44 GLN CB C 13 29.889 0.106 . 5 . . . . . . . . 6086 1 504 . 1 1 44 44 GLN N N 15 120.922 0.082 . 1 . . . . . . . . 6086 1 505 . 1 1 45 45 GLN H H 1 8.422 0.008 . 1 . . . . . . . . 6086 1 506 . 1 1 45 45 GLN CA C 13 56.665 0.021 . 5 . . . . . . . . 6086 1 507 . 1 1 45 45 GLN CB C 13 29.994 0.281 . 5 . . . . . . . . 6086 1 508 . 1 1 45 45 GLN N N 15 124.364 0.062 . 1 . . . . . . . . 6086 1 509 . 1 1 47 47 PRO HA H 1 4.567 0.004 . 1 . . . . . . . . 6086 1 510 . 1 1 47 47 PRO HB2 H 1 2.447 0.004 . 1 . . . . . . . . 6086 1 511 . 1 1 47 47 PRO HB3 H 1 2.447 0.004 . 1 . . . . . . . . 6086 1 512 . 1 1 47 47 PRO HG2 H 1 2.153 0.004 . 1 . . . . . . . . 6086 1 513 . 1 1 47 47 PRO HG3 H 1 2.153 0.004 . 1 . . . . . . . . 6086 1 514 . 1 1 47 47 PRO HD2 H 1 3.942 0.002 . 2 . . . . . . . . 6086 1 515 . 1 1 47 47 PRO HD3 H 1 3.77 0.003 . 2 . . . . . . . . 6086 1 516 . 1 1 47 47 PRO C C 13 177.002 0.023 . 1 . . . . . . . . 6086 1 517 . 1 1 47 47 PRO CA C 13 63.485 0.127 . 1 . . . . . . . . 6086 1 518 . 1 1 47 47 PRO CB C 13 32.603 0.115 . 1 . . . . . . . . 6086 1 519 . 1 1 47 47 PRO CG C 13 27.593 0.093 . 1 . . . . . . . . 6086 1 520 . 1 1 47 47 PRO CD C 13 51.14 0.091 . 1 . . . . . . . . 6086 1 521 . 1 1 48 48 LEU H H 1 8.407 0.006 . 1 . . . . . . . . 6086 1 522 . 1 1 48 48 LEU HA H 1 4.422 0.006 . 1 . . . . . . . . 6086 1 523 . 1 1 48 48 LEU HG H 1 1.784 0.01 . 1 . . . . . . . . 6086 1 524 . 1 1 48 48 LEU HD11 H 1 1.032 0.016 . 1 . . . . . . . . 6086 1 525 . 1 1 48 48 LEU HD12 H 1 1.032 0.016 . 1 . . . . . . . . 6086 1 526 . 1 1 48 48 LEU HD13 H 1 1.032 0.016 . 1 . . . . . . . . 6086 1 527 . 1 1 48 48 LEU HD21 H 1 1.032 0.016 . 1 . . . . . . . . 6086 1 528 . 1 1 48 48 LEU HD22 H 1 1.032 0.016 . 1 . . . . . . . . 6086 1 529 . 1 1 48 48 LEU HD23 H 1 1.032 0.016 . 1 . . . . . . . . 6086 1 530 . 1 1 48 48 LEU C C 13 177.731 0.02 . 1 . . . . . . . . 6086 1 531 . 1 1 48 48 LEU CA C 13 55.878 0.095 . 1 . . . . . . . . 6086 1 532 . 1 1 48 48 LEU CB C 13 42.882 0.132 . 1 . . . . . . . . 6086 1 533 . 1 1 48 48 LEU CG C 13 27.45 0.081 . 1 . . . . . . . . 6086 1 534 . 1 1 48 48 LEU CD1 C 13 24.157 0.066 . 1 . . . . . . . . 6086 1 535 . 1 1 48 48 LEU CD2 C 13 24.157 0.066 . 1 . . . . . . . . 6086 1 536 . 1 1 48 48 LEU N N 15 122.661 0.091 . 1 . . . . . . . . 6086 1 537 . 1 1 49 49 GLU H H 1 8.531 0.007 . 1 . . . . . . . . 6086 1 538 . 1 1 49 49 GLU HA H 1 4.465 0.016 . 5 . . . . . . . . 6086 1 539 . 1 1 49 49 GLU HG2 H 1 2.401 0.001 . 5 . . . . . . . . 6086 1 540 . 1 1 49 49 GLU HG3 H 1 2.401 0.001 . 5 . . . . . . . . 6086 1 541 . 1 1 49 49 GLU C C 13 176.496 0.073 . 1 . . . . . . . . 6086 1 542 . 1 1 49 49 GLU CA C 13 56.942 0.093 . 1 . . . . . . . . 6086 1 543 . 1 1 49 49 GLU CB C 13 30.881 0.135 . 1 . . . . . . . . 6086 1 544 . 1 1 49 49 GLU CG C 13 36.606 0.162 . 5 . . . . . . . . 6086 1 545 . 1 1 49 49 GLU N N 15 121.327 0.104 . 1 . . . . . . . . 6086 1 546 . 1 1 50 50 GLU H H 1 8.525 0.007 . 1 . . . . . . . . 6086 1 547 . 1 1 50 50 GLU HA H 1 4.491 0.004 . 5 . . . . . . . . 6086 1 548 . 1 1 50 50 GLU HG2 H 1 2.378 0.007 . 5 . . . . . . . . 6086 1 549 . 1 1 50 50 GLU HG3 H 1 2.378 0.007 . 5 . . . . . . . . 6086 1 550 . 1 1 50 50 GLU C C 13 176.485 0.019 . 1 . . . . . . . . 6086 1 551 . 1 1 50 50 GLU CA C 13 56.793 0.076 . 1 . . . . . . . . 6086 1 552 . 1 1 50 50 GLU CB C 13 31.056 0.11 . 1 . . . . . . . . 6086 1 553 . 1 1 50 50 GLU CG C 13 36.663 0.104 . 5 . . . . . . . . 6086 1 554 . 1 1 50 50 GLU N N 15 122.259 0.115 . 1 . . . . . . . . 6086 1 555 . 1 1 51 51 SER H H 1 8.44 0.006 . 1 . . . . . . . . 6086 1 556 . 1 1 51 51 SER HA H 1 4.632 0.003 . 1 . . . . . . . . 6086 1 557 . 1 1 51 51 SER HB2 H 1 4.013 0.001 . 1 . . . . . . . . 6086 1 558 . 1 1 51 51 SER HB3 H 1 4.013 0.001 . 1 . . . . . . . . 6086 1 559 . 1 1 51 51 SER C C 13 174.708 0.009 . 1 . . . . . . . . 6086 1 560 . 1 1 51 51 SER CA C 13 58.534 0.029 . 1 . . . . . . . . 6086 1 561 . 1 1 51 51 SER CB C 13 64.474 0.056 . 1 . . . . . . . . 6086 1 562 . 1 1 51 51 SER N N 15 116.931 0.067 . 1 . . . . . . . . 6086 1 563 . 1 1 52 52 GLU H H 1 8.633 0.009 . 1 . . . . . . . . 6086 1 564 . 1 1 52 52 GLU C C 13 176.385 0.042 . 1 . . . . . . . . 6086 1 565 . 1 1 52 52 GLU CA C 13 56.912 0.082 . 1 . . . . . . . . 6086 1 566 . 1 1 52 52 GLU CB C 13 30.934 0.157 . 1 . . . . . . . . 6086 1 567 . 1 1 52 52 GLU CG C 13 36.625 0.143 . 5 . . . . . . . . 6086 1 568 . 1 1 52 52 GLU N N 15 123.278 0.084 . 1 . . . . . . . . 6086 1 569 . 1 1 53 53 ASP H H 1 8.43 0.002 . 1 . . . . . . . . 6086 1 570 . 1 1 53 53 ASP C C 13 176.1 0.002 . 1 . . . . . . . . 6086 1 571 . 1 1 53 53 ASP CA C 13 54.745 0.012 . 1 . . . . . . . . 6086 1 572 . 1 1 53 53 ASP CB C 13 41.832 0.09 . 1 . . . . . . . . 6086 1 573 . 1 1 53 53 ASP N N 15 121.398 0.045 . 1 . . . . . . . . 6086 1 574 . 1 1 54 54 ASP H H 1 8.378 0.002 . 1 . . . . . . . . 6086 1 575 . 1 1 54 54 ASP HA H 1 4.75 0.005 . 1 . . . . . . . . 6086 1 576 . 1 1 54 54 ASP HB2 H 1 2.819 0.004 . 1 . . . . . . . . 6086 1 577 . 1 1 54 54 ASP HB3 H 1 2.819 0.004 . 1 . . . . . . . . 6086 1 578 . 1 1 54 54 ASP C C 13 176.672 0.016 . 1 . . . . . . . . 6086 1 579 . 1 1 54 54 ASP CA C 13 54.72 0.137 . 1 . . . . . . . . 6086 1 580 . 1 1 54 54 ASP CB C 13 41.888 0.108 . 1 . . . . . . . . 6086 1 581 . 1 1 54 54 ASP N N 15 121.334 0.054 . 1 . . . . . . . . 6086 1 582 . 1 1 55 55 GLU H H 1 8.535 0.005 . 1 . . . . . . . . 6086 1 583 . 1 1 55 55 GLU HA H 1 4.399 0.002 . 1 . . . . . . . . 6086 1 584 . 1 1 55 55 GLU HB2 H 1 2.209 0.002 . 2 . . . . . . . . 6086 1 585 . 1 1 55 55 GLU HB3 H 1 2.085 0.004 . 2 . . . . . . . . 6086 1 586 . 1 1 55 55 GLU HG2 H 1 2.428 0.001 . 1 . . . . . . . . 6086 1 587 . 1 1 55 55 GLU HG3 H 1 2.428 0.001 . 1 . . . . . . . . 6086 1 588 . 1 1 55 55 GLU C C 13 177.402 0.028 . 1 . . . . . . . . 6086 1 589 . 1 1 55 55 GLU CA C 13 57.394 0.065 . 1 . . . . . . . . 6086 1 590 . 1 1 55 55 GLU CB C 13 30.715 0.104 . 1 . . . . . . . . 6086 1 591 . 1 1 55 55 GLU CG C 13 36.62 0.106 . 1 . . . . . . . . 6086 1 592 . 1 1 55 55 GLU N N 15 121.537 0.064 . 1 . . . . . . . . 6086 1 593 . 1 1 56 56 GLY H H 1 8.53 0.004 . 1 . . . . . . . . 6086 1 594 . 1 1 56 56 GLY C C 13 174.907 0.025 . 1 . . . . . . . . 6086 1 595 . 1 1 56 56 GLY CA C 13 45.752 0.007 . 1 . . . . . . . . 6086 1 596 . 1 1 56 56 GLY N N 15 109.504 0.062 . 1 . . . . . . . . 6086 1 597 . 1 1 57 57 VAL H H 1 7.978 0.001 . 1 . . . . . . . . 6086 1 598 . 1 1 57 57 VAL HA H 1 4.409 0.193 . 1 . . . . . . . . 6086 1 599 . 1 1 57 57 VAL HB H 1 2.148 0.013 . 1 . . . . . . . . 6086 1 600 . 1 1 57 57 VAL HG11 H 1 1.015 0.006 . 1 . . . . . . . . 6086 1 601 . 1 1 57 57 VAL HG12 H 1 1.015 0.006 . 1 . . . . . . . . 6086 1 602 . 1 1 57 57 VAL HG13 H 1 1.015 0.006 . 1 . . . . . . . . 6086 1 603 . 1 1 57 57 VAL HG21 H 1 1.015 0.006 . 1 . . . . . . . . 6086 1 604 . 1 1 57 57 VAL HG22 H 1 1.015 0.006 . 1 . . . . . . . . 6086 1 605 . 1 1 57 57 VAL HG23 H 1 1.015 0.006 . 1 . . . . . . . . 6086 1 606 . 1 1 57 57 VAL C C 13 176.197 0.017 . 1 . . . . . . . . 6086 1 607 . 1 1 57 57 VAL CA C 13 62.64 0.015 . 1 . . . . . . . . 6086 1 608 . 1 1 57 57 VAL CB C 13 33.15 0.07 . 1 . . . . . . . . 6086 1 609 . 1 1 57 57 VAL CG1 C 13 21.473 0.127 . 1 . . . . . . . . 6086 1 610 . 1 1 57 57 VAL CG2 C 13 21.473 0.127 . 1 . . . . . . . . 6086 1 611 . 1 1 57 57 VAL N N 15 119.259 0.085 . 1 . . . . . . . . 6086 1 612 . 1 1 58 58 HIS H H 1 8.665 0.008 . 1 . . . . . . . . 6086 1 613 . 1 1 58 58 HIS HA H 1 4.453 0.006 . 1 . . . . . . . . 6086 1 614 . 1 1 58 58 HIS HB2 H 1 2.417 0.029 . 1 . . . . . . . . 6086 1 615 . 1 1 58 58 HIS HB3 H 1 2.417 0.029 . 1 . . . . . . . . 6086 1 616 . 1 1 58 58 HIS C C 13 175.187 0.099 . 1 . . . . . . . . 6086 1 617 . 1 1 58 58 HIS CA C 13 55.824 0.074 . 1 . . . . . . . . 6086 1 618 . 1 1 58 58 HIS CB C 13 30.258 0.203 . 1 . . . . . . . . 6086 1 619 . 1 1 58 58 HIS N N 15 123.413 0.176 . 1 . . . . . . . . 6086 1 620 . 1 1 59 59 THR H H 1 8.283 0.006 . 1 . . . . . . . . 6086 1 621 . 1 1 59 59 THR HA H 1 4.464 0.002 . 1 . . . . . . . . 6086 1 622 . 1 1 59 59 THR HB H 1 4.346 0.005 . 1 . . . . . . . . 6086 1 623 . 1 1 59 59 THR HG21 H 1 1.326 0.002 . 1 . . . . . . . . 6086 1 624 . 1 1 59 59 THR HG22 H 1 1.326 0.002 . 1 . . . . . . . . 6086 1 625 . 1 1 59 59 THR HG23 H 1 1.326 0.002 . 1 . . . . . . . . 6086 1 626 . 1 1 59 59 THR C C 13 174.452 0.017 . 1 . . . . . . . . 6086 1 627 . 1 1 59 59 THR CA C 13 62.313 0.117 . 1 . . . . . . . . 6086 1 628 . 1 1 59 59 THR CB C 13 70.139 0.09 . 1 . . . . . . . . 6086 1 629 . 1 1 59 59 THR CG2 C 13 32.54 0.211 . 1 . . . . . . . . 6086 1 630 . 1 1 59 59 THR N N 15 116.806 0.084 . 1 . . . . . . . . 6086 1 631 . 1 1 60 60 GLU H H 1 8.66 0.008 . 1 . . . . . . . . 6086 1 632 . 1 1 60 60 GLU N N 15 123.371 0.08 . 1 . . . . . . . . 6086 1 633 . 1 1 61 61 GLU HA H 1 4.444 0.002 . 1 . . . . . . . . 6086 1 634 . 1 1 61 61 GLU HG2 H 1 2.399 0.005 . 1 . . . . . . . . 6086 1 635 . 1 1 61 61 GLU HG3 H 1 2.399 0.005 . 1 . . . . . . . . 6086 1 636 . 1 1 61 61 GLU C C 13 176.498 0.017 . 1 . . . . . . . . 6086 1 637 . 1 1 61 61 GLU CA C 13 56.77 0.072 . 1 . . . . . . . . 6086 1 638 . 1 1 61 61 GLU CB C 13 30.756 0.137 . 1 . . . . . . . . 6086 1 639 . 1 1 61 61 GLU CG C 13 36.586 0.139 . 1 . . . . . . . . 6086 1 640 . 1 1 62 62 LEU H H 1 8.348 0.007 . 1 . . . . . . . . 6086 1 641 . 1 1 62 62 LEU HA H 1 4.652 0.128 . 1 . . . . . . . . 6086 1 642 . 1 1 62 62 LEU HG H 1 1.746 0.006 . 1 . . . . . . . . 6086 1 643 . 1 1 62 62 LEU C C 13 177.34 0.018 . 1 . . . . . . . . 6086 1 644 . 1 1 62 62 LEU CA C 13 55.309 0.247 . 1 . . . . . . . . 6086 1 645 . 1 1 62 62 LEU CB C 13 42.987 0.092 . 1 . . . . . . . . 6086 1 646 . 1 1 62 62 LEU CG C 13 27.346 0.048 . 1 . . . . . . . . 6086 1 647 . 1 1 62 62 LEU CD1 C 13 25.346 0.166 . 2 . . . . . . . . 6086 1 648 . 1 1 62 62 LEU CD2 C 13 23.791 0.255 . 5 . . . . . . . . 6086 1 649 . 1 1 62 62 LEU N N 15 123.582 0.075 . 1 . . . . . . . . 6086 1 650 . 1 1 63 63 ASP H H 1 8.463 0.006 . 1 . . . . . . . . 6086 1 651 . 1 1 63 63 ASP HA H 1 4.754 0.008 . 1 . . . . . . . . 6086 1 652 . 1 1 63 63 ASP HB2 H 1 2.816 0.002 . 1 . . . . . . . . 6086 1 653 . 1 1 63 63 ASP HB3 H 1 2.816 0.002 . 1 . . . . . . . . 6086 1 654 . 1 1 63 63 ASP C C 13 176.61 0.019 . 1 . . . . . . . . 6086 1 655 . 1 1 63 63 ASP CA C 13 54.792 0.133 . 1 . . . . . . . . 6086 1 656 . 1 1 63 63 ASP CB C 13 41.614 0.107 . 1 . . . . . . . . 6086 1 657 . 1 1 63 63 ASP N N 15 121.67 0.071 . 1 . . . . . . . . 6086 1 658 . 1 1 64 64 SER H H 1 8.29 0.006 . 1 . . . . . . . . 6086 1 659 . 1 1 64 64 SER HA H 1 4.559 0.02 . 1 . . . . . . . . 6086 1 660 . 1 1 64 64 SER HB2 H 1 4.009 0.004 . 1 . . . . . . . . 6086 1 661 . 1 1 64 64 SER HB3 H 1 4.009 0.004 . 1 . . . . . . . . 6086 1 662 . 1 1 64 64 SER C C 13 174.811 0.024 . 1 . . . . . . . . 6086 1 663 . 1 1 64 64 SER CA C 13 59.009 0.025 . 1 . . . . . . . . 6086 1 664 . 1 1 64 64 SER CB C 13 64.341 0.092 . 1 . . . . . . . . 6086 1 665 . 1 1 64 64 SER N N 15 116.316 0.067 . 1 . . . . . . . . 6086 1 666 . 1 1 65 65 GLU H H 1 8.533 0.004 . 1 . . . . . . . . 6086 1 667 . 1 1 65 65 GLU HA H 1 4.456 0.003 . 1 . . . . . . . . 6086 1 668 . 1 1 65 65 GLU HB2 H 1 2.211 0.017 . 2 . . . . . . . . 6086 1 669 . 1 1 65 65 GLU HB3 H 1 2.087 0.03 . 2 . . . . . . . . 6086 1 670 . 1 1 65 65 GLU HG2 H 1 2.491 0.002 . 1 . . . . . . . . 6086 1 671 . 1 1 65 65 GLU HG3 H 1 2.491 0.002 . 1 . . . . . . . . 6086 1 672 . 1 1 65 65 GLU C C 13 176.516 0.03 . 1 . . . . . . . . 6086 1 673 . 1 1 65 65 GLU CA C 13 56.79 0.115 . 1 . . . . . . . . 6086 1 674 . 1 1 65 65 GLU CB C 13 30.811 0.133 . 1 . . . . . . . . 6086 1 675 . 1 1 65 65 GLU CG C 13 34.221 0.068 . 1 . . . . . . . . 6086 1 676 . 1 1 65 65 GLU N N 15 122.657 0.14 . 1 . . . . . . . . 6086 1 677 . 1 1 66 66 LEU H H 1 8.452 0.007 . 1 . . . . . . . . 6086 1 678 . 1 1 66 66 LEU HA H 1 4.469 0.014 . 1 . . . . . . . . 6086 1 679 . 1 1 66 66 LEU HG H 1 1.741 0.014 . 1 . . . . . . . . 6086 1 680 . 1 1 66 66 LEU HD11 H 1 1.04 0.018 . 1 . . . . . . . . 6086 1 681 . 1 1 66 66 LEU HD12 H 1 1.04 0.018 . 1 . . . . . . . . 6086 1 682 . 1 1 66 66 LEU HD13 H 1 1.04 0.018 . 1 . . . . . . . . 6086 1 683 . 1 1 66 66 LEU HD21 H 1 1.04 0.018 . 1 . . . . . . . . 6086 1 684 . 1 1 66 66 LEU HD22 H 1 1.04 0.018 . 1 . . . . . . . . 6086 1 685 . 1 1 66 66 LEU HD23 H 1 1.04 0.018 . 1 . . . . . . . . 6086 1 686 . 1 1 66 66 LEU C C 13 177.043 0.001 . 1 . . . . . . . . 6086 1 687 . 1 1 66 66 LEU CA C 13 55.339 0.083 . 1 . . . . . . . . 6086 1 688 . 1 1 66 66 LEU CB C 13 42.953 0.1 . 1 . . . . . . . . 6086 1 689 . 1 1 66 66 LEU CG C 13 27.363 0.069 . 1 . . . . . . . . 6086 1 690 . 1 1 66 66 LEU CD1 C 13 25.148 0.182 . 2 . . . . . . . . 6086 1 691 . 1 1 66 66 LEU CD2 C 13 24.006 0.033 . 2 . . . . . . . . 6086 1 692 . 1 1 66 66 LEU N N 15 121.891 0.055 . 1 . . . . . . . . 6086 1 693 . 1 1 67 67 GLU H H 1 8.355 0.006 . 1 . . . . . . . . 6086 1 694 . 1 1 67 67 GLU HA H 1 4.422 0.002 . 1 . . . . . . . . 6086 1 695 . 1 1 67 67 GLU HB2 H 1 2.063 0.002 . 1 . . . . . . . . 6086 1 696 . 1 1 67 67 GLU HG2 H 1 2.391 0.012 . 1 . . . . . . . . 6086 1 697 . 1 1 67 67 GLU HG3 H 1 2.391 0.012 . 1 . . . . . . . . 6086 1 698 . 1 1 67 67 GLU C C 13 175.926 0.019 . 1 . . . . . . . . 6086 1 699 . 1 1 67 67 GLU CA C 13 56.471 0.047 . 1 . . . . . . . . 6086 1 700 . 1 1 67 67 GLU CB C 13 30.961 0.097 . 1 . . . . . . . . 6086 1 701 . 1 1 67 67 GLU CG C 13 36.57 0.155 . 1 . . . . . . . . 6086 1 702 . 1 1 67 67 GLU N N 15 122.83 0.088 . 1 . . . . . . . . 6086 1 703 . 1 1 68 68 LEU H H 1 8.32 0.007 . 1 . . . . . . . . 6086 1 704 . 1 1 68 68 LEU HA H 1 4.585 0.003 . 1 . . . . . . . . 6086 1 705 . 1 1 68 68 LEU HB2 H 1 1.81 0.002 . 2 . . . . . . . . 6086 1 706 . 1 1 68 68 LEU HB3 H 1 1.541 0.004 . 2 . . . . . . . . 6086 1 707 . 1 1 68 68 LEU C C 13 174.909 0 . 1 . . . . . . . . 6086 1 708 . 1 1 68 68 LEU CA C 13 53.043 0.047 . 1 . . . . . . . . 6086 1 709 . 1 1 68 68 LEU CB C 13 42.379 0.018 . 1 . . . . . . . . 6086 1 710 . 1 1 68 68 LEU N N 15 124.132 0.09 . 1 . . . . . . . . 6086 1 711 . 1 1 69 69 PRO HA H 1 4.567 0.005 . 1 . . . . . . . . 6086 1 712 . 1 1 69 69 PRO HB2 H 1 2.455 0.003 . 2 . . . . . . . . 6086 1 713 . 1 1 69 69 PRO HB3 H 1 1.948 0.006 . 2 . . . . . . . . 6086 1 714 . 1 1 69 69 PRO HD2 H 1 3.654 0.014 . 2 . . . . . . . . 6086 1 715 . 1 1 69 69 PRO HD3 H 1 3.127 0.007 . 2 . . . . . . . . 6086 1 716 . 1 1 69 69 PRO C C 13 176.161 0.003 . 1 . . . . . . . . 6086 1 717 . 1 1 69 69 PRO CA C 13 62.529 0.123 . 1 . . . . . . . . 6086 1 718 . 1 1 69 69 PRO CB C 13 31.928 0.121 . 1 . . . . . . . . 6086 1 719 . 1 1 69 69 PRO CD C 13 50.591 0.097 . 1 . . . . . . . . 6086 1 720 . 1 1 70 70 ALA H H 1 8.44 0.009 . 1 . . . . . . . . 6086 1 721 . 1 1 70 70 ALA HA H 1 4.36 0.008 . 1 . . . . . . . . 6086 1 722 . 1 1 70 70 ALA HB1 H 1 1.54 0.004 . 5 . . . . . . . . 6086 1 723 . 1 1 70 70 ALA HB2 H 1 1.54 0.004 . 5 . . . . . . . . 6086 1 724 . 1 1 70 70 ALA HB3 H 1 1.54 0.004 . 5 . . . . . . . . 6086 1 725 . 1 1 70 70 ALA C C 13 178.745 0.019 . 1 . . . . . . . . 6086 1 726 . 1 1 70 70 ALA CA C 13 53.921 0.061 . 1 . . . . . . . . 6086 1 727 . 1 1 70 70 ALA CB C 13 18.9 0.146 . 1 . . . . . . . . 6086 1 728 . 1 1 70 70 ALA N N 15 123.794 0.091 . 1 . . . . . . . . 6086 1 729 . 1 1 71 71 GLY H H 1 8.776 0.005 . 1 . . . . . . . . 6086 1 730 . 1 1 71 71 GLY HA2 H 1 4.049 0.051 . 1 . . . . . . . . 6086 1 731 . 1 1 71 71 GLY HA3 H 1 4.049 0.051 . 1 . . . . . . . . 6086 1 732 . 1 1 71 71 GLY C C 13 175.376 0.021 . 1 . . . . . . . . 6086 1 733 . 1 1 71 71 GLY CA C 13 45.756 0.07 . 1 . . . . . . . . 6086 1 734 . 1 1 71 71 GLY N N 15 109.763 0.06 . 1 . . . . . . . . 6086 1 735 . 1 1 72 72 TRP H H 1 7.963 0.008 . 1 . . . . . . . . 6086 1 736 . 1 1 72 72 TRP HA H 1 5.635 0.04 . 1 . . . . . . . . 6086 1 737 . 1 1 72 72 TRP HB2 H 1 3.415 0.011 . 2 . . . . . . . . 6086 1 738 . 1 1 72 72 TRP HB3 H 1 3.235 0.007 . 2 . . . . . . . . 6086 1 739 . 1 1 72 72 TRP HD1 H 1 7.249 0.015 . 1 . . . . . . . . 6086 1 740 . 1 1 72 72 TRP HE1 H 1 10.115 0.004 . 1 . . . . . . . . 6086 1 741 . 1 1 72 72 TRP HZ2 H 1 7.555 0 . 1 . . . . . . . . 6086 1 742 . 1 1 72 72 TRP C C 13 176.852 0.031 . 1 . . . . . . . . 6086 1 743 . 1 1 72 72 TRP CA C 13 57.318 0.045 . 1 . . . . . . . . 6086 1 744 . 1 1 72 72 TRP CB C 13 31.539 0.195 . 1 . . . . . . . . 6086 1 745 . 1 1 72 72 TRP N N 15 119.443 0.169 . 1 . . . . . . . . 6086 1 746 . 1 1 72 72 TRP NE1 N 15 129.64 0.06 . 1 . . . . . . . . 6086 1 747 . 1 1 73 73 GLU H H 1 9.266 0.009 . 1 . . . . . . . . 6086 1 748 . 1 1 73 73 GLU HA H 1 4.696 0.011 . 1 . . . . . . . . 6086 1 749 . 1 1 73 73 GLU C C 13 174.546 0.035 . 1 . . . . . . . . 6086 1 750 . 1 1 73 73 GLU CA C 13 55.911 0.067 . 1 . . . . . . . . 6086 1 751 . 1 1 73 73 GLU CB C 13 33.944 0.144 . 1 . . . . . . . . 6086 1 752 . 1 1 73 73 GLU N N 15 122.101 0.071 . 1 . . . . . . . . 6086 1 753 . 1 1 74 74 LYS H H 1 8.687 0.024 . 1 . . . . . . . . 6086 1 754 . 1 1 74 74 LYS HA H 1 4.504 0.009 . 1 . . . . . . . . 6086 1 755 . 1 1 74 74 LYS HB2 H 1 1.952 0.006 . 2 . . . . . . . . 6086 1 756 . 1 1 74 74 LYS HB3 H 1 1.752 0.012 . 2 . . . . . . . . 6086 1 757 . 1 1 74 74 LYS HD2 H 1 2.263 0.018 . 2 . . . . . . . . 6086 1 758 . 1 1 74 74 LYS HD3 H 1 2.106 0.009 . 2 . . . . . . . . 6086 1 759 . 1 1 74 74 LYS HE2 H 1 3.03 0.002 . 1 . . . . . . . . 6086 1 760 . 1 1 74 74 LYS HE3 H 1 3.03 0.002 . 1 . . . . . . . . 6086 1 761 . 1 1 74 74 LYS C C 13 175.124 0.017 . 1 . . . . . . . . 6086 1 762 . 1 1 74 74 LYS CA C 13 56.04 0.077 . 1 . . . . . . . . 6086 1 763 . 1 1 74 74 LYS CB C 13 34.181 0.135 . 1 . . . . . . . . 6086 1 764 . 1 1 74 74 LYS CD C 13 29.777 0.142 . 1 . . . . . . . . 6086 1 765 . 1 1 74 74 LYS CE C 13 42.138 0.032 . 1 . . . . . . . . 6086 1 766 . 1 1 74 74 LYS N N 15 125.597 0.157 . 1 . . . . . . . . 6086 1 767 . 1 1 75 75 ILE H H 1 8.819 0.009 . 1 . . . . . . . . 6086 1 768 . 1 1 75 75 ILE HA H 1 4.193 0.009 . 1 . . . . . . . . 6086 1 769 . 1 1 75 75 ILE HB H 1 0.959 0.017 . 1 . . . . . . . . 6086 1 770 . 1 1 75 75 ILE HG12 H 1 1.189 0.017 . 2 . . . . . . . . 6086 1 771 . 1 1 75 75 ILE HG13 H 1 1.13 0.004 . 2 . . . . . . . . 6086 1 772 . 1 1 75 75 ILE HG21 H 1 0.811 0.01 . 1 . . . . . . . . 6086 1 773 . 1 1 75 75 ILE HG22 H 1 0.811 0.01 . 1 . . . . . . . . 6086 1 774 . 1 1 75 75 ILE HG23 H 1 0.811 0.01 . 1 . . . . . . . . 6086 1 775 . 1 1 75 75 ILE HD11 H 1 0.774 0.021 . 1 . . . . . . . . 6086 1 776 . 1 1 75 75 ILE HD12 H 1 0.774 0.021 . 1 . . . . . . . . 6086 1 777 . 1 1 75 75 ILE HD13 H 1 0.774 0.021 . 1 . . . . . . . . 6086 1 778 . 1 1 75 75 ILE C C 13 174.361 0.012 . 1 . . . . . . . . 6086 1 779 . 1 1 75 75 ILE CA C 13 59.906 0.132 . 1 . . . . . . . . 6086 1 780 . 1 1 75 75 ILE CB C 13 38.742 0.203 . 1 . . . . . . . . 6086 1 781 . 1 1 75 75 ILE CG1 C 13 27.787 0.154 . 5 . . . . . . . . 6086 1 782 . 1 1 75 75 ILE CG2 C 13 17.934 0.15 . 2 . . . . . . . . 6086 1 783 . 1 1 75 75 ILE CD1 C 13 11.951 0.067 . 1 . . . . . . . . 6086 1 784 . 1 1 75 75 ILE N N 15 128.689 0.173 . 1 . . . . . . . . 6086 1 785 . 1 1 76 76 GLU H H 1 8.355 0.006 . 1 . . . . . . . . 6086 1 786 . 1 1 76 76 GLU HA H 1 4.569 0.009 . 1 . . . . . . . . 6086 1 787 . 1 1 76 76 GLU HB2 H 1 2.066 0.002 . 2 . . . . . . . . 6086 1 788 . 1 1 76 76 GLU HB3 H 1 1.929 0.003 . 2 . . . . . . . . 6086 1 789 . 1 1 76 76 GLU HG2 H 1 2.16 0.012 . 1 . . . . . . . . 6086 1 790 . 1 1 76 76 GLU HG3 H 1 2.16 0.012 . 1 . . . . . . . . 6086 1 791 . 1 1 76 76 GLU C C 13 175.059 0.018 . 1 . . . . . . . . 6086 1 792 . 1 1 76 76 GLU CA C 13 55.404 0.042 . 1 . . . . . . . . 6086 1 793 . 1 1 76 76 GLU CB C 13 30.611 0.101 . 1 . . . . . . . . 6086 1 794 . 1 1 76 76 GLU CG C 13 36.664 0.098 . 1 . . . . . . . . 6086 1 795 . 1 1 76 76 GLU N N 15 124.646 0.083 . 1 . . . . . . . . 6086 1 796 . 1 1 77 77 ASP H H 1 8.481 0.009 . 1 . . . . . . . . 6086 1 797 . 1 1 77 77 ASP HA H 1 5.22 0.004 . 1 . . . . . . . . 6086 1 798 . 1 1 77 77 ASP HB2 H 1 3.261 0.013 . 2 . . . . . . . . 6086 1 799 . 1 1 77 77 ASP HB3 H 1 2.839 0.004 . 2 . . . . . . . . 6086 1 800 . 1 1 77 77 ASP C C 13 175.677 0 . 1 . . . . . . . . 6086 1 801 . 1 1 77 77 ASP CA C 13 51.983 0.063 . 1 . . . . . . . . 6086 1 802 . 1 1 77 77 ASP CB C 13 45.841 0.164 . 1 . . . . . . . . 6086 1 803 . 1 1 77 77 ASP N N 15 127.293 0.177 . 1 . . . . . . . . 6086 1 804 . 1 1 78 78 PRO HA H 1 4.494 0.013 . 1 . . . . . . . . 6086 1 805 . 1 1 78 78 PRO HB2 H 1 2.452 0.006 . 2 . . . . . . . . 6086 1 806 . 1 1 78 78 PRO HB3 H 1 2.042 0.001 . 2 . . . . . . . . 6086 1 807 . 1 1 78 78 PRO HG2 H 1 2.108 0.006 . 1 . . . . . . . . 6086 1 808 . 1 1 78 78 PRO HG3 H 1 2.108 0.006 . 1 . . . . . . . . 6086 1 809 . 1 1 78 78 PRO HD2 H 1 3.987 0.003 . 1 . . . . . . . . 6086 1 810 . 1 1 78 78 PRO HD3 H 1 3.987 0.003 . 1 . . . . . . . . 6086 1 811 . 1 1 78 78 PRO C C 13 176.855 0.025 . 1 . . . . . . . . 6086 1 812 . 1 1 78 78 PRO CA C 13 64.971 0.103 . 1 . . . . . . . . 6086 1 813 . 1 1 78 78 PRO CB C 13 32.627 0.228 . 1 . . . . . . . . 6086 1 814 . 1 1 78 78 PRO CG C 13 27.415 0.053 . 1 . . . . . . . . 6086 1 815 . 1 1 78 78 PRO CD C 13 51.226 0.058 . 1 . . . . . . . . 6086 1 816 . 1 1 79 79 VAL H H 1 8.537 0.005 . 1 . . . . . . . . 6086 1 817 . 1 1 79 79 VAL HA H 1 4.012 0.008 . 1 . . . . . . . . 6086 1 818 . 1 1 79 79 VAL HB H 1 1.829 0.014 . 1 . . . . . . . . 6086 1 819 . 1 1 79 79 VAL HG11 H 1 0.91 0.016 . 2 . . . . . . . . 6086 1 820 . 1 1 79 79 VAL HG12 H 1 0.91 0.016 . 2 . . . . . . . . 6086 1 821 . 1 1 79 79 VAL HG13 H 1 0.91 0.016 . 2 . . . . . . . . 6086 1 822 . 1 1 79 79 VAL HG21 H 1 0.461 0.024 . 2 . . . . . . . . 6086 1 823 . 1 1 79 79 VAL HG22 H 1 0.461 0.024 . 2 . . . . . . . . 6086 1 824 . 1 1 79 79 VAL HG23 H 1 0.461 0.024 . 2 . . . . . . . . 6086 1 825 . 1 1 79 79 VAL C C 13 177.461 0.018 . 1 . . . . . . . . 6086 1 826 . 1 1 79 79 VAL CA C 13 64.354 0.077 . 1 . . . . . . . . 6086 1 827 . 1 1 79 79 VAL CB C 13 33.321 0.087 . 1 . . . . . . . . 6086 1 828 . 1 1 79 79 VAL CG1 C 13 20.743 0.024 . 1 . . . . . . . . 6086 1 829 . 1 1 79 79 VAL N N 15 118.911 0.073 . 1 . . . . . . . . 6086 1 830 . 1 1 80 80 TYR H H 1 8.6 0.007 . 1 . . . . . . . . 6086 1 831 . 1 1 80 80 TYR HA H 1 4.598 0.011 . 1 . . . . . . . . 6086 1 832 . 1 1 80 80 TYR HB2 H 1 3.418 0.008 . 2 . . . . . . . . 6086 1 833 . 1 1 80 80 TYR HB3 H 1 2.735 0.025 . 2 . . . . . . . . 6086 1 834 . 1 1 80 80 TYR HD1 H 1 7.247 0.01 . 1 . . . . . . . . 6086 1 835 . 1 1 80 80 TYR HD2 H 1 7.247 0.01 . 1 . . . . . . . . 6086 1 836 . 1 1 80 80 TYR HE1 H 1 6.896 0.021 . 1 . . . . . . . . 6086 1 837 . 1 1 80 80 TYR HE2 H 1 6.896 0.021 . 1 . . . . . . . . 6086 1 838 . 1 1 80 80 TYR C C 13 176.414 0.025 . 1 . . . . . . . . 6086 1 839 . 1 1 80 80 TYR CA C 13 59.381 0.084 . 1 . . . . . . . . 6086 1 840 . 1 1 80 80 TYR CB C 13 39.546 0.077 . 1 . . . . . . . . 6086 1 841 . 1 1 80 80 TYR CD1 C 13 133.262 0.021 . 1 . . . . . . . . 6086 1 842 . 1 1 80 80 TYR CD2 C 13 133.262 0.021 . 1 . . . . . . . . 6086 1 843 . 1 1 80 80 TYR N N 15 118.649 0.05 . 1 . . . . . . . . 6086 1 844 . 1 1 81 81 GLY H H 1 8.296 0.005 . 1 . . . . . . . . 6086 1 845 . 1 1 81 81 GLY HA2 H 1 4.011 0.007 . 2 . . . . . . . . 6086 1 846 . 1 1 81 81 GLY HA3 H 1 4.464 0.016 . 2 . . . . . . . . 6086 1 847 . 1 1 81 81 GLY C C 13 175.366 0.008 . 1 . . . . . . . . 6086 1 848 . 1 1 81 81 GLY CA C 13 45.514 0.092 . 1 . . . . . . . . 6086 1 849 . 1 1 81 81 GLY N N 15 109.921 0.051 . 1 . . . . . . . . 6086 1 850 . 1 1 82 82 ILE H H 1 8.188 0.01 . 1 . . . . . . . . 6086 1 851 . 1 1 82 82 ILE HA H 1 4.93 0.031 . 1 . . . . . . . . 6086 1 852 . 1 1 82 82 ILE HB H 1 1.852 0.008 . 1 . . . . . . . . 6086 1 853 . 1 1 82 82 ILE HG12 H 1 1.127 0.009 . 2 . . . . . . . . 6086 1 854 . 1 1 82 82 ILE HG13 H 1 1.742 0.021 . 2 . . . . . . . . 6086 1 855 . 1 1 82 82 ILE HG21 H 1 0.78 0.005 . 1 . . . . . . . . 6086 1 856 . 1 1 82 82 ILE HG22 H 1 0.78 0.005 . 1 . . . . . . . . 6086 1 857 . 1 1 82 82 ILE HG23 H 1 0.78 0.005 . 1 . . . . . . . . 6086 1 858 . 1 1 82 82 ILE HD11 H 1 0.993 0.005 . 1 . . . . . . . . 6086 1 859 . 1 1 82 82 ILE HD12 H 1 0.993 0.005 . 1 . . . . . . . . 6086 1 860 . 1 1 82 82 ILE HD13 H 1 0.993 0.005 . 1 . . . . . . . . 6086 1 861 . 1 1 82 82 ILE C C 13 176.549 0.016 . 1 . . . . . . . . 6086 1 862 . 1 1 82 82 ILE CA C 13 61.251 0.037 . 1 . . . . . . . . 6086 1 863 . 1 1 82 82 ILE CB C 13 39.217 0.098 . 1 . . . . . . . . 6086 1 864 . 1 1 82 82 ILE CG1 C 13 28.834 0.145 . 2 . . . . . . . . 6086 1 865 . 1 1 82 82 ILE CG2 C 13 18.084 0.143 . 2 . . . . . . . . 6086 1 866 . 1 1 82 82 ILE CD1 C 13 13.812 0.053 . 1 . . . . . . . . 6086 1 867 . 1 1 82 82 ILE N N 15 120.936 0.12 . 1 . . . . . . . . 6086 1 868 . 1 1 83 83 TYR H H 1 8.742 0.009 . 1 . . . . . . . . 6086 1 869 . 1 1 83 83 TYR HA H 1 4.855 0.007 . 1 . . . . . . . . 6086 1 870 . 1 1 83 83 TYR HB2 H 1 3.016 0.007 . 2 . . . . . . . . 6086 1 871 . 1 1 83 83 TYR HB3 H 1 2.801 0.015 . 2 . . . . . . . . 6086 1 872 . 1 1 83 83 TYR HD1 H 1 6.956 0.014 . 1 . . . . . . . . 6086 1 873 . 1 1 83 83 TYR HD2 H 1 6.956 0.014 . 1 . . . . . . . . 6086 1 874 . 1 1 83 83 TYR HE1 H 1 6.679 0.009 . 1 . . . . . . . . 6086 1 875 . 1 1 83 83 TYR HE2 H 1 6.679 0.009 . 1 . . . . . . . . 6086 1 876 . 1 1 83 83 TYR C C 13 172.175 0.013 . 1 . . . . . . . . 6086 1 877 . 1 1 83 83 TYR CA C 13 56.855 0.107 . 1 . . . . . . . . 6086 1 878 . 1 1 83 83 TYR CB C 13 39.606 0.191 . 1 . . . . . . . . 6086 1 879 . 1 1 83 83 TYR CD1 C 13 134.071 0.031 . 1 . . . . . . . . 6086 1 880 . 1 1 83 83 TYR CD2 C 13 134.071 0.031 . 1 . . . . . . . . 6086 1 881 . 1 1 83 83 TYR N N 15 124.199 0.112 . 1 . . . . . . . . 6086 1 882 . 1 1 84 84 TYR H H 1 8.839 0.006 . 1 . . . . . . . . 6086 1 883 . 1 1 84 84 TYR HA H 1 5.437 0.025 . 1 . . . . . . . . 6086 1 884 . 1 1 84 84 TYR HB2 H 1 3.197 0.011 . 2 . . . . . . . . 6086 1 885 . 1 1 84 84 TYR HB3 H 1 3.007 0.007 . 2 . . . . . . . . 6086 1 886 . 1 1 84 84 TYR HD1 H 1 7.037 0.007 . 1 . . . . . . . . 6086 1 887 . 1 1 84 84 TYR HD2 H 1 7.037 0.007 . 1 . . . . . . . . 6086 1 888 . 1 1 84 84 TYR HE1 H 1 6.858 0.014 . 1 . . . . . . . . 6086 1 889 . 1 1 84 84 TYR HE2 H 1 6.858 0.014 . 1 . . . . . . . . 6086 1 890 . 1 1 84 84 TYR C C 13 175.366 0.024 . 1 . . . . . . . . 6086 1 891 . 1 1 84 84 TYR CA C 13 57.409 0.104 . 1 . . . . . . . . 6086 1 892 . 1 1 84 84 TYR CB C 13 41.637 0.181 . 1 . . . . . . . . 6086 1 893 . 1 1 84 84 TYR N N 15 117.996 0.068 . 1 . . . . . . . . 6086 1 894 . 1 1 85 85 VAL H H 1 8.977 0.018 . 1 . . . . . . . . 6086 1 895 . 1 1 85 85 VAL HA H 1 4.673 0.009 . 1 . . . . . . . . 6086 1 896 . 1 1 85 85 VAL HB H 1 1.87 0.011 . 1 . . . . . . . . 6086 1 897 . 1 1 85 85 VAL HG11 H 1 0.924 0.003 . 2 . . . . . . . . 6086 1 898 . 1 1 85 85 VAL HG12 H 1 0.924 0.003 . 2 . . . . . . . . 6086 1 899 . 1 1 85 85 VAL HG13 H 1 0.924 0.003 . 2 . . . . . . . . 6086 1 900 . 1 1 85 85 VAL HG21 H 1 0.62 0.01 . 2 . . . . . . . . 6086 1 901 . 1 1 85 85 VAL HG22 H 1 0.62 0.01 . 2 . . . . . . . . 6086 1 902 . 1 1 85 85 VAL HG23 H 1 0.62 0.01 . 2 . . . . . . . . 6086 1 903 . 1 1 85 85 VAL C C 13 173.981 0.001 . 1 . . . . . . . . 6086 1 904 . 1 1 85 85 VAL CA C 13 61.151 0.076 . 1 . . . . . . . . 6086 1 905 . 1 1 85 85 VAL CB C 13 35.341 0.117 . 1 . . . . . . . . 6086 1 906 . 1 1 85 85 VAL CG1 C 13 20.784 0.06 . 1 . . . . . . . . 6086 1 907 . 1 1 85 85 VAL N N 15 120.811 0.108 . 1 . . . . . . . . 6086 1 908 . 1 1 86 86 ASP H H 1 8.38 0.003 . 1 . . . . . . . . 6086 1 909 . 1 1 86 86 ASP HA H 1 4.747 0.015 . 1 . . . . . . . . 6086 1 910 . 1 1 86 86 ASP C C 13 177.476 0.05 . 1 . . . . . . . . 6086 1 911 . 1 1 86 86 ASP CA C 13 52.503 0.022 . 1 . . . . . . . . 6086 1 912 . 1 1 86 86 ASP CB C 13 41.468 0.702 . 1 . . . . . . . . 6086 1 913 . 1 1 86 86 ASP N N 15 125.166 0.089 . 1 . . . . . . . . 6086 1 914 . 1 1 87 87 HIS H H 1 8.654 0.007 . 1 . . . . . . . . 6086 1 915 . 1 1 87 87 HIS HA H 1 4.468 0.017 . 1 . . . . . . . . 6086 1 916 . 1 1 87 87 HIS HB2 H 1 3.263 0.007 . 1 . . . . . . . . 6086 1 917 . 1 1 87 87 HIS HB3 H 1 3.263 0.007 . 1 . . . . . . . . 6086 1 918 . 1 1 87 87 HIS C C 13 176.405 0.001 . 1 . . . . . . . . 6086 1 919 . 1 1 87 87 HIS CA C 13 58.165 0.09 . 1 . . . . . . . . 6086 1 920 . 1 1 87 87 HIS CB C 13 30.734 0.212 . 1 . . . . . . . . 6086 1 921 . 1 1 87 87 HIS N N 15 121.297 0.059 . 1 . . . . . . . . 6086 1 922 . 1 1 88 88 ILE H H 1 8.226 0.003 . 1 . . . . . . . . 6086 1 923 . 1 1 88 88 ILE HA H 1 4.042 0.014 . 1 . . . . . . . . 6086 1 924 . 1 1 88 88 ILE HB H 1 2.093 0.004 . 1 . . . . . . . . 6086 1 925 . 1 1 88 88 ILE HG12 H 1 1.638 0.005 . 2 . . . . . . . . 6086 1 926 . 1 1 88 88 ILE HG13 H 1 1.294 0.007 . 2 . . . . . . . . 6086 1 927 . 1 1 88 88 ILE HG21 H 1 0.932 0.008 . 1 . . . . . . . . 6086 1 928 . 1 1 88 88 ILE HG22 H 1 0.932 0.008 . 1 . . . . . . . . 6086 1 929 . 1 1 88 88 ILE HG23 H 1 0.932 0.008 . 1 . . . . . . . . 6086 1 930 . 1 1 88 88 ILE HD11 H 1 0.947 0.006 . 1 . . . . . . . . 6086 1 931 . 1 1 88 88 ILE HD12 H 1 0.947 0.006 . 1 . . . . . . . . 6086 1 932 . 1 1 88 88 ILE HD13 H 1 0.947 0.006 . 1 . . . . . . . . 6086 1 933 . 1 1 88 88 ILE C C 13 177.177 0.003 . 1 . . . . . . . . 6086 1 934 . 1 1 88 88 ILE CA C 13 63.214 0.063 . 1 . . . . . . . . 6086 1 935 . 1 1 88 88 ILE CB C 13 37.717 0.117 . 1 . . . . . . . . 6086 1 936 . 1 1 88 88 ILE CG1 C 13 28.449 0.092 . 2 . . . . . . . . 6086 1 937 . 1 1 88 88 ILE CG2 C 13 17.269 0.061 . 2 . . . . . . . . 6086 1 938 . 1 1 88 88 ILE CD1 C 13 12.177 0.052 . 1 . . . . . . . . 6086 1 939 . 1 1 88 88 ILE N N 15 120.477 0.081 . 1 . . . . . . . . 6086 1 940 . 1 1 89 89 ASN H H 1 8.077 0.012 . 1 . . . . . . . . 6086 1 941 . 1 1 89 89 ASN HA H 1 4.769 0.014 . 1 . . . . . . . . 6086 1 942 . 1 1 89 89 ASN HB2 H 1 2.842 0.018 . 2 . . . . . . . . 6086 1 943 . 1 1 89 89 ASN HB3 H 1 2.624 0.026 . 2 . . . . . . . . 6086 1 944 . 1 1 89 89 ASN C C 13 174.601 0.018 . 1 . . . . . . . . 6086 1 945 . 1 1 89 89 ASN CA C 13 53.589 0.095 . 1 . . . . . . . . 6086 1 946 . 1 1 89 89 ASN CB C 13 39.212 0.131 . 1 . . . . . . . . 6086 1 947 . 1 1 89 89 ASN N N 15 117.803 0.077 . 1 . . . . . . . . 6086 1 948 . 1 1 90 90 ARG H H 1 7.89 0.01 . 1 . . . . . . . . 6086 1 949 . 1 1 90 90 ARG HA H 1 4.038 0.023 . 1 . . . . . . . . 6086 1 950 . 1 1 90 90 ARG HB2 H 1 1.557 0.005 . 1 . . . . . . . . 6086 1 951 . 1 1 90 90 ARG HB3 H 1 1.557 0.005 . 1 . . . . . . . . 6086 1 952 . 1 1 90 90 ARG HG2 H 1 2.061 0.006 . 2 . . . . . . . . 6086 1 953 . 1 1 90 90 ARG HG3 H 1 1.57 0.001 . 2 . . . . . . . . 6086 1 954 . 1 1 90 90 ARG HD2 H 1 3.22 0.004 . 1 . . . . . . . . 6086 1 955 . 1 1 90 90 ARG HD3 H 1 3.22 0.004 . 1 . . . . . . . . 6086 1 956 . 1 1 90 90 ARG C C 13 175.379 0.031 . 1 . . . . . . . . 6086 1 957 . 1 1 90 90 ARG CA C 13 57.05 0.053 . 1 . . . . . . . . 6086 1 958 . 1 1 90 90 ARG CB C 13 28.061 0.374 . 1 . . . . . . . . 6086 1 959 . 1 1 90 90 ARG CD C 13 43.785 0.072 . 1 . . . . . . . . 6086 1 960 . 1 1 90 90 ARG N N 15 119.06 0.082 . 1 . . . . . . . . 6086 1 961 . 1 1 91 91 LYS H H 1 7.895 0.007 . 1 . . . . . . . . 6086 1 962 . 1 1 91 91 LYS HA H 1 4.745 0.015 . 1 . . . . . . . . 6086 1 963 . 1 1 91 91 LYS HB2 H 1 1.963 0.003 . 1 . . . . . . . . 6086 1 964 . 1 1 91 91 LYS HB3 H 1 1.963 0.003 . 1 . . . . . . . . 6086 1 965 . 1 1 91 91 LYS HG2 H 1 1.837 0.003 . 2 . . . . . . . . 6086 1 966 . 1 1 91 91 LYS HG3 H 1 1.592 0.005 . 2 . . . . . . . . 6086 1 967 . 1 1 91 91 LYS HD2 H 1 1.832 0.008 . 1 . . . . . . . . 6086 1 968 . 1 1 91 91 LYS HD3 H 1 1.832 0.008 . 1 . . . . . . . . 6086 1 969 . 1 1 91 91 LYS HE2 H 1 3.142 0.006 . 1 . . . . . . . . 6086 1 970 . 1 1 91 91 LYS HE3 H 1 3.142 0.006 . 1 . . . . . . . . 6086 1 971 . 1 1 91 91 LYS C C 13 175.718 0.015 . 1 . . . . . . . . 6086 1 972 . 1 1 91 91 LYS CA C 13 55.637 0.039 . 1 . . . . . . . . 6086 1 973 . 1 1 91 91 LYS CB C 13 35.541 0.142 . 1 . . . . . . . . 6086 1 974 . 1 1 91 91 LYS CG C 13 24.88 0.149 . 1 . . . . . . . . 6086 1 975 . 1 1 91 91 LYS CD C 13 29.374 0.122 . 1 . . . . . . . . 6086 1 976 . 1 1 91 91 LYS CE C 13 42.358 0.062 . 1 . . . . . . . . 6086 1 977 . 1 1 91 91 LYS N N 15 119.265 0.088 . 1 . . . . . . . . 6086 1 978 . 1 1 92 92 THR H H 1 8.317 0.005 . 1 . . . . . . . . 6086 1 979 . 1 1 92 92 THR HA H 1 5.234 0.029 . 1 . . . . . . . . 6086 1 980 . 1 1 92 92 THR HB H 1 4.135 0.016 . 1 . . . . . . . . 6086 1 981 . 1 1 92 92 THR HG21 H 1 1.177 0.01 . 1 . . . . . . . . 6086 1 982 . 1 1 92 92 THR HG22 H 1 1.177 0.01 . 1 . . . . . . . . 6086 1 983 . 1 1 92 92 THR HG23 H 1 1.177 0.01 . 1 . . . . . . . . 6086 1 984 . 1 1 92 92 THR C C 13 174.181 0.034 . 1 . . . . . . . . 6086 1 985 . 1 1 92 92 THR CA C 13 61.296 0.101 . 1 . . . . . . . . 6086 1 986 . 1 1 92 92 THR CB C 13 71.256 0.14 . 1 . . . . . . . . 6086 1 987 . 1 1 92 92 THR CG2 C 13 22.355 0.182 . 1 . . . . . . . . 6086 1 988 . 1 1 92 92 THR N N 15 114.76 0.061 . 1 . . . . . . . . 6086 1 989 . 1 1 93 93 GLN H H 1 9.021 0.013 . 1 . . . . . . . . 6086 1 990 . 1 1 93 93 GLN HA H 1 4.781 0.018 . 1 . . . . . . . . 6086 1 991 . 1 1 93 93 GLN HB2 H 1 2.428 0.023 . 1 . . . . . . . . 6086 1 992 . 1 1 93 93 GLN HB3 H 1 2.428 0.023 . 1 . . . . . . . . 6086 1 993 . 1 1 93 93 GLN C C 13 174.997 0.029 . 1 . . . . . . . . 6086 1 994 . 1 1 93 93 GLN CA C 13 55.632 0.066 . 1 . . . . . . . . 6086 1 995 . 1 1 93 93 GLN CB C 13 31.24 0.405 . 1 . . . . . . . . 6086 1 996 . 1 1 93 93 GLN N N 15 119.614 0.081 . 1 . . . . . . . . 6086 1 997 . 1 1 94 94 TYR H H 1 8.788 0.012 . 1 . . . . . . . . 6086 1 998 . 1 1 94 94 TYR HA H 1 4.855 0.005 . 1 . . . . . . . . 6086 1 999 . 1 1 94 94 TYR HB2 H 1 3.403 0.011 . 2 . . . . . . . . 6086 1 1000 . 1 1 94 94 TYR HB3 H 1 3.035 0.005 . 2 . . . . . . . . 6086 1 1001 . 1 1 94 94 TYR HD1 H 1 7.471 0.005 . 1 . . . . . . . . 6086 1 1002 . 1 1 94 94 TYR HD2 H 1 7.471 0.005 . 1 . . . . . . . . 6086 1 1003 . 1 1 94 94 TYR C C 13 176.2 0.012 . 1 . . . . . . . . 6086 1 1004 . 1 1 94 94 TYR CA C 13 59.933 0.152 . 1 . . . . . . . . 6086 1 1005 . 1 1 94 94 TYR CB C 13 39.454 0.088 . 1 . . . . . . . . 6086 1 1006 . 1 1 94 94 TYR CD1 C 13 133.563 0.063 . 1 . . . . . . . . 6086 1 1007 . 1 1 94 94 TYR CD2 C 13 133.563 0.063 . 1 . . . . . . . . 6086 1 1008 . 1 1 94 94 TYR N N 15 120.327 0.079 . 1 . . . . . . . . 6086 1 1009 . 1 1 95 95 GLU H H 1 8.264 0.007 . 1 . . . . . . . . 6086 1 1010 . 1 1 95 95 GLU HA H 1 4.459 0.008 . 5 . . . . . . . . 6086 1 1011 . 1 1 95 95 GLU HB2 H 1 2.442 0.02 . 1 . . . . . . . . 6086 1 1012 . 1 1 95 95 GLU HB3 H 1 2.442 0.02 . 1 . . . . . . . . 6086 1 1013 . 1 1 95 95 GLU HG2 H 1 2.602 0.008 . 1 . . . . . . . . 6086 1 1014 . 1 1 95 95 GLU HG3 H 1 2.602 0.008 . 1 . . . . . . . . 6086 1 1015 . 1 1 95 95 GLU C C 13 175.639 0.034 . 1 . . . . . . . . 6086 1 1016 . 1 1 95 95 GLU CA C 13 56.925 0.002 . 1 . . . . . . . . 6086 1 1017 . 1 1 95 95 GLU CB C 13 30.728 0.076 . 1 . . . . . . . . 6086 1 1018 . 1 1 95 95 GLU N N 15 120.316 0.103 . 1 . . . . . . . . 6086 1 1019 . 1 1 96 96 ASN H H 1 8.538 0.012 . 1 . . . . . . . . 6086 1 1020 . 1 1 96 96 ASN HA H 1 3.851 0.031 . 1 . . . . . . . . 6086 1 1021 . 1 1 96 96 ASN HB2 H 1 2.788 0.011 . 2 . . . . . . . . 6086 1 1022 . 1 1 96 96 ASN HB3 H 1 2.69 0.006 . 2 . . . . . . . . 6086 1 1023 . 1 1 96 96 ASN HD21 H 1 7.542 0.005 . 2 . . . . . . . . 6086 1 1024 . 1 1 96 96 ASN HD22 H 1 6.796 0.005 . 2 . . . . . . . . 6086 1 1025 . 1 1 96 96 ASN C C 13 174.297 0 . 1 . . . . . . . . 6086 1 1026 . 1 1 96 96 ASN CA C 13 51.463 0.012 . 1 . . . . . . . . 6086 1 1027 . 1 1 96 96 ASN CB C 13 39.014 0.013 . 1 . . . . . . . . 6086 1 1028 . 1 1 96 96 ASN N N 15 122.244 0.106 . 1 . . . . . . . . 6086 1 1029 . 1 1 96 96 ASN ND2 N 15 111.473 0.003 . 1 . . . . . . . . 6086 1 1030 . 1 1 97 97 PRO HA H 1 4.209 0.021 . 1 . . . . . . . . 6086 1 1031 . 1 1 97 97 PRO HB2 H 1 1.343 0.031 . 1 . . . . . . . . 6086 1 1032 . 1 1 97 97 PRO HB3 H 1 1.343 0.031 . 1 . . . . . . . . 6086 1 1033 . 1 1 97 97 PRO HD2 H 1 3.211 0.006 . 1 . . . . . . . . 6086 1 1034 . 1 1 97 97 PRO HD3 H 1 3.211 0.006 . 1 . . . . . . . . 6086 1 1035 . 1 1 97 97 PRO C C 13 176.832 0.019 . 1 . . . . . . . . 6086 1 1036 . 1 1 97 97 PRO CA C 13 63.457 0.051 . 1 . . . . . . . . 6086 1 1037 . 1 1 97 97 PRO CB C 13 32.059 0.179 . 1 . . . . . . . . 6086 1 1038 . 1 1 97 97 PRO CG C 13 27.102 0.41 . 1 . . . . . . . . 6086 1 1039 . 1 1 97 97 PRO CD C 13 50.287 0.061 . 1 . . . . . . . . 6086 1 1040 . 1 1 98 98 VAL H H 1 8.012 0.006 . 1 . . . . . . . . 6086 1 1041 . 1 1 98 98 VAL HA H 1 4.059 0.012 . 1 . . . . . . . . 6086 1 1042 . 1 1 98 98 VAL HB H 1 2.117 0.005 . 1 . . . . . . . . 6086 1 1043 . 1 1 98 98 VAL HG11 H 1 0.968 0.008 . 2 . . . . . . . . 6086 1 1044 . 1 1 98 98 VAL HG12 H 1 0.968 0.008 . 2 . . . . . . . . 6086 1 1045 . 1 1 98 98 VAL HG13 H 1 0.968 0.008 . 2 . . . . . . . . 6086 1 1046 . 1 1 98 98 VAL C C 13 176.019 0.021 . 1 . . . . . . . . 6086 1 1047 . 1 1 98 98 VAL CA C 13 62.894 0.085 . 1 . . . . . . . . 6086 1 1048 . 1 1 98 98 VAL CB C 13 32.56 0.185 . 1 . . . . . . . . 6086 1 1049 . 1 1 98 98 VAL CG1 C 13 21.453 0.148 . 1 . . . . . . . . 6086 1 1050 . 1 1 98 98 VAL N N 15 118.891 0.058 . 1 . . . . . . . . 6086 1 1051 . 1 1 99 99 LEU H H 1 7.887 0.009 . 1 . . . . . . . . 6086 1 1052 . 1 1 99 99 LEU HA H 1 4.438 0.011 . 1 . . . . . . . . 6086 1 1053 . 1 1 99 99 LEU HB2 H 1 1.729 0.017 . 1 . . . . . . . . 6086 1 1054 . 1 1 99 99 LEU HB3 H 1 1.729 0.017 . 1 . . . . . . . . 6086 1 1055 . 1 1 99 99 LEU HG H 1 1.746 0.007 . 1 . . . . . . . . 6086 1 1056 . 1 1 99 99 LEU HD11 H 1 1.002 0.02 . 1 . . . . . . . . 6086 1 1057 . 1 1 99 99 LEU HD12 H 1 1.002 0.02 . 1 . . . . . . . . 6086 1 1058 . 1 1 99 99 LEU HD13 H 1 1.002 0.02 . 1 . . . . . . . . 6086 1 1059 . 1 1 99 99 LEU HD21 H 1 1.002 0.02 . 1 . . . . . . . . 6086 1 1060 . 1 1 99 99 LEU HD22 H 1 1.002 0.02 . 1 . . . . . . . . 6086 1 1061 . 1 1 99 99 LEU HD23 H 1 1.002 0.02 . 1 . . . . . . . . 6086 1 1062 . 1 1 99 99 LEU C C 13 177.128 0.021 . 1 . . . . . . . . 6086 1 1063 . 1 1 99 99 LEU CA C 13 55.406 0.171 . 1 . . . . . . . . 6086 1 1064 . 1 1 99 99 LEU CB C 13 42.898 0.1 . 1 . . . . . . . . 6086 1 1065 . 1 1 99 99 LEU CG C 13 27.403 0.08 . 1 . . . . . . . . 6086 1 1066 . 1 1 99 99 LEU CD1 C 13 25.3 0.257 . 2 . . . . . . . . 6086 1 1067 . 1 1 99 99 LEU CD2 C 13 23.744 0.302 . 5 . . . . . . . . 6086 1 1068 . 1 1 99 99 LEU N N 15 124.292 0.057 . 1 . . . . . . . . 6086 1 1069 . 1 1 100 100 GLU H H 1 8.207 0.004 . 1 . . . . . . . . 6086 1 1070 . 1 1 100 100 GLU HA H 1 4.427 0.028 . 1 . . . . . . . . 6086 1 1071 . 1 1 100 100 GLU HG2 H 1 2.266 0.053 . 1 . . . . . . . . 6086 1 1072 . 1 1 100 100 GLU HG3 H 1 2.266 0.053 . 1 . . . . . . . . 6086 1 1073 . 1 1 100 100 GLU C C 13 175.067 0.019 . 1 . . . . . . . . 6086 1 1074 . 1 1 100 100 GLU CA C 13 56.676 0.058 . 1 . . . . . . . . 6086 1 1075 . 1 1 100 100 GLU CB C 13 30.905 0.115 . 1 . . . . . . . . 6086 1 1076 . 1 1 100 100 GLU CG C 13 36.467 0.016 . 1 . . . . . . . . 6086 1 1077 . 1 1 100 100 GLU N N 15 122.162 0.061 . 1 . . . . . . . . 6086 1 1078 . 1 1 101 101 ALA H H 1 7.918 0.005 . 1 . . . . . . . . 6086 1 1079 . 1 1 101 101 ALA HA H 1 4.246 0.001 . 1 . . . . . . . . 6086 1 1080 . 1 1 101 101 ALA HB1 H 1 1.448 0.001 . 1 . . . . . . . . 6086 1 1081 . 1 1 101 101 ALA HB2 H 1 1.448 0.001 . 1 . . . . . . . . 6086 1 1082 . 1 1 101 101 ALA HB3 H 1 1.448 0.001 . 1 . . . . . . . . 6086 1 1083 . 1 1 101 101 ALA CA C 13 54.136 0.017 . 1 . . . . . . . . 6086 1 1084 . 1 1 101 101 ALA CB C 13 20.74 0.015 . 1 . . . . . . . . 6086 1 1085 . 1 1 101 101 ALA N N 15 130.973 0.061 . 1 . . . . . . . . 6086 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 244 6086 1 1 3 6086 1 2 507 6086 1 2 503 6086 1 3 506 6086 1 3 502 6086 1 4 781 6086 1 4 410 6086 1 5 229 6086 1 5 2 6086 1 6 724 6086 1 6 723 6086 1 6 722 6086 1 6 9 6086 1 6 8 6086 1 6 7 6086 1 7 547 6086 1 7 538 6086 1 8 548 6086 1 8 539 6086 1 9 549 6086 1 9 540 6086 1 10 567 6086 1 10 553 6086 1 10 544 6086 1 11 1067 6086 1 11 648 6086 1 12 15 6086 1 12 1010 6086 1 stop_ save_