data_15348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15348 _Entry.Title ; Solution structure of the Bright/ARID domain from the human JARID1C protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Ensemble of 20 lowest energy NMR structures of the Bright/ARID domain from the human JARID1C protein (Smcx homolog, X chromosome). ; _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 Christian Koehler . . . 15348 2 Shurene Bishop . . . 15348 3 Elizabeth Dowler . F. . 15348 4 Annette Diehl . . . 15348 5 Peter Schmieder . . . 15348 6 Martina Leidert . . . 15348 7 Michael Sundstrom . . . 15348 8 Cheryl Arrowsmith . H. . 15348 9 Johan Wiegelt . . . 15348 10 Aled Edwards . . . 15348 11 Hartmut Oschkinat . . . 15348 12 Linda Ball . J. . 15348 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'Structural Genomics Consortium' . 15348 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bright/ARID domain' . 15348 helical . 15348 JARID1C . 15348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 15348 '15N chemical shifts' 124 15348 '1H chemical shifts' 828 15348 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-12 2007-06-29 update BMRB 'added PubMed ID' 15348 2 . . 2008-06-04 2007-06-29 update BMRB 'complete entry citation' 15348 1 . . 2007-12-10 2007-06-29 original author 'original release' 15348 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB GI:11321605 'GenBank NCBI identification' 15348 PDB 2JRZ 'BMRB Entry Tracking System' 15348 SP P41229 Swissprot 15348 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15348 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636912 _Citation.Full_citation . _Citation.Title 'Backbone and sidechain 1H, 13C and 15N resonance assignments of the Bright/ARID domain from the human JARID1C (SMCX) protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 9 _Citation.Page_last 11 _Citation.Year 2008 _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 Christian Koehler . . . 15348 1 2 Shurene Bishop . . . 15348 1 3 Elizabeth Dowler . F. . 15348 1 4 Peter Schmieder . . . 15348 1 5 Anne Diehl . . . 15348 1 6 Hartmut Oschkinat . . . 15348 1 7 Linda Ball . J. . 15348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15348 _Assembly.ID 1 _Assembly.Name JARID1C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Bright/ARID domain' 1 $JARID1C A . yes native no no . . . 15348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_JARID1C _Entity.Sf_category entity _Entity.Sf_framecode JARID1C _Entity.Entry_ID 15348 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name JARID1C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMNELEAQTRVKLNYLDQIA KFWEIQGSSLKIPNVERRIL DLYSLSKIVVEEGGYEAICK DRRWARVAQRLNYPPGKNIG SLLRSHYERIVYPYEMYQSG ANLVCNTRPFDNEEKDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Construct was SM-(73-188) of the Bright/ARID domain from human JARID1C, using GenBank NCBI sequence numbering. N-terminal SM residues are a cloning artefact ; _Entity.Polymer_author_seq_details 'residues 1-2 are from the affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Bright/ARID domain' _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 2015-11-26 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 yes SWS P41229 . Swissprot . . . . . . . . . . . . . . 15348 1 2 yes GB NP_004178 . . . . . . . . . . . . . . . . 15348 1 3 yes GB GI:11321605 . . . . . . . . . . . . . . . . 15348 1 4 no PDB 2JRZ . "Solution Structure Of The BrightARID DOMAIN FROM THE HUMAN Jarid1c Protein" . . . . . 100.00 117 100.00 100.00 1.01e-79 . . . . 15348 1 5 no DBJ BAB25462 . "unnamed protein product [Mus musculus]" . . . . . 100.00 258 97.44 98.29 2.49e-74 . . . . 15348 1 6 no DBJ BAE33367 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1551 97.44 98.29 8.32e-69 . . . . 15348 1 7 no DBJ BAE34464 . "unnamed protein product [Mus musculus]" . . . . . 100.00 734 97.44 98.29 7.23e-70 . . . . 15348 1 8 no DBJ BAG65494 . "unnamed protein product [Homo sapiens]" . . . . . 60.68 1379 98.59 98.59 3.90e-38 . . . . 15348 1 9 no DBJ BAK62496 . "jumonji/ARID domain-containing protein 1C [Pan troglodytes]" . . . . . 100.00 384 98.29 99.15 9.18e-74 . . . . 15348 1 10 no EMBL CAA82759 . "unknown [Mus musculus domesticus]" . . . . . 100.00 1033 97.44 98.29 2.02e-69 . . . . 15348 1 11 no EMBL CAH91220 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 1259 98.29 99.15 1.61e-69 . . . . 15348 1 12 no GB AAA61302 . "escapes X-chromosome inactivation [Homo sapiens]" . . . . . 100.00 1560 98.29 99.15 2.35e-69 . . . . 15348 1 13 no GB AAC48698 . "SMCX, partial [Equus caballus]" . . . . . 100.00 309 97.44 98.29 2.45e-74 . . . . 15348 1 14 no GB AAD53049 . "Smcx [Mus musculus]" . . . . . 100.00 1551 97.44 98.29 8.08e-69 . . . . 15348 1 15 no GB AAF36510 . "SMCX [Sus scrofa]" . . . . . 100.00 316 97.44 98.29 7.73e-74 . . . . 15348 1 16 no GB AAH26777 . "Jarid1c protein, partial [Mus musculus]" . . . . . 100.00 263 97.44 98.29 1.92e-74 . . . . 15348 1 17 no REF NP_001041497 . "lysine-specific demethylase 5C [Canis lupus familiaris]" . . . . . 100.00 1556 98.29 99.15 2.33e-69 . . . . 15348 1 18 no REF NP_001090902 . "lysine-specific demethylase 5C [Sus scrofa]" . . . . . 61.54 1516 97.22 98.61 3.40e-38 . . . . 15348 1 19 no REF NP_001125719 . "lysine-specific demethylase 5C [Pongo abelii]" . . . . . 100.00 1259 98.29 99.15 1.61e-69 . . . . 15348 1 20 no REF NP_001140174 . "lysine-specific demethylase 5C isoform 2 [Homo sapiens]" . . . . . 60.68 1379 98.59 98.59 4.05e-38 . . . . 15348 1 21 no REF NP_001269551 . "lysine-specific demethylase 5C isoform 3 [Homo sapiens]" . . . . . 99.15 1559 99.14 100.00 5.52e-71 . . . . 15348 1 22 no SP A1YVX4 . "RecName: Full=Lysine-specific demethylase 5C; AltName: Full=Histone demethylase JARID1C; AltName: Full=Jumonji/ARID domain-cont" . . . . . 61.54 1516 97.22 98.61 3.40e-38 . . . . 15348 1 23 no SP P41229 . "RecName: Full=Lysine-specific demethylase 5C; AltName: Full=Histone demethylase JARID1C; AltName: Full=Jumonji/ARID domain-cont" . . . . . 100.00 1560 98.29 99.15 2.30e-69 . . . . 15348 1 24 no SP P41230 . "RecName: Full=Lysine-specific demethylase 5C; AltName: Full=Histone demethylase JARID1C; AltName: Full=Jumonji/ARID domain-cont" . . . . . 100.00 1554 97.44 98.29 8.28e-69 . . . . 15348 1 25 no SP Q38JA7 . "RecName: Full=Lysine-specific demethylase 5C; AltName: Full=Histone demethylase JARID1C; AltName: Full=Jumonji/ARID domain-cont" . . . . . 100.00 1556 98.29 99.15 2.33e-69 . . . . 15348 1 26 no TPG DAA12808 . "TPA: lysine (K)-specific demethylase 5C [Bos taurus]" . . . . . 100.00 1558 98.29 99.15 2.06e-69 . . . . 15348 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 . SER . 15348 1 2 . MET . 15348 1 3 . ASN . 15348 1 4 . GLU . 15348 1 5 . LEU . 15348 1 6 . GLU . 15348 1 7 . ALA . 15348 1 8 . GLN . 15348 1 9 . THR . 15348 1 10 . ARG . 15348 1 11 . VAL . 15348 1 12 . LYS . 15348 1 13 . LEU . 15348 1 14 . ASN . 15348 1 15 . TYR . 15348 1 16 . LEU . 15348 1 17 . ASP . 15348 1 18 . GLN . 15348 1 19 . ILE . 15348 1 20 . ALA . 15348 1 21 . LYS . 15348 1 22 . PHE . 15348 1 23 . TRP . 15348 1 24 . GLU . 15348 1 25 . ILE . 15348 1 26 . GLN . 15348 1 27 . GLY . 15348 1 28 . SER . 15348 1 29 . SER . 15348 1 30 . LEU . 15348 1 31 . LYS . 15348 1 32 . ILE . 15348 1 33 . PRO . 15348 1 34 . ASN . 15348 1 35 . VAL . 15348 1 36 . GLU . 15348 1 37 . ARG . 15348 1 38 . ARG . 15348 1 39 . ILE . 15348 1 40 . LEU . 15348 1 41 . ASP . 15348 1 42 . LEU . 15348 1 43 . TYR . 15348 1 44 . SER . 15348 1 45 . LEU . 15348 1 46 . SER . 15348 1 47 . LYS . 15348 1 48 . ILE . 15348 1 49 . VAL . 15348 1 50 . VAL . 15348 1 51 . GLU . 15348 1 52 . GLU . 15348 1 53 . GLY . 15348 1 54 . GLY . 15348 1 55 . TYR . 15348 1 56 . GLU . 15348 1 57 . ALA . 15348 1 58 . ILE . 15348 1 59 . CYS . 15348 1 60 . LYS . 15348 1 61 . ASP . 15348 1 62 . ARG . 15348 1 63 . ARG . 15348 1 64 . TRP . 15348 1 65 . ALA . 15348 1 66 . ARG . 15348 1 67 . VAL . 15348 1 68 . ALA . 15348 1 69 . GLN . 15348 1 70 . ARG . 15348 1 71 . LEU . 15348 1 72 . ASN . 15348 1 73 . TYR . 15348 1 74 . PRO . 15348 1 75 . PRO . 15348 1 76 . GLY . 15348 1 77 . LYS . 15348 1 78 . ASN . 15348 1 79 . ILE . 15348 1 80 . GLY . 15348 1 81 . SER . 15348 1 82 . LEU . 15348 1 83 . LEU . 15348 1 84 . ARG . 15348 1 85 . SER . 15348 1 86 . HIS . 15348 1 87 . TYR . 15348 1 88 . GLU . 15348 1 89 . ARG . 15348 1 90 . ILE . 15348 1 91 . VAL . 15348 1 92 . TYR . 15348 1 93 . PRO . 15348 1 94 . TYR . 15348 1 95 . GLU . 15348 1 96 . MET . 15348 1 97 . TYR . 15348 1 98 . GLN . 15348 1 99 . SER . 15348 1 100 . GLY . 15348 1 101 . ALA . 15348 1 102 . ASN . 15348 1 103 . LEU . 15348 1 104 . VAL . 15348 1 105 . CYS . 15348 1 106 . ASN . 15348 1 107 . THR . 15348 1 108 . ARG . 15348 1 109 . PRO . 15348 1 110 . PHE . 15348 1 111 . ASP . 15348 1 112 . ASN . 15348 1 113 . GLU . 15348 1 114 . GLU . 15348 1 115 . LYS . 15348 1 116 . ASP . 15348 1 117 . LYS . 15348 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 . SER 1 1 15348 1 . MET 2 2 15348 1 . ASN 3 3 15348 1 . GLU 4 4 15348 1 . LEU 5 5 15348 1 . GLU 6 6 15348 1 . ALA 7 7 15348 1 . GLN 8 8 15348 1 . THR 9 9 15348 1 . ARG 10 10 15348 1 . VAL 11 11 15348 1 . LYS 12 12 15348 1 . LEU 13 13 15348 1 . ASN 14 14 15348 1 . TYR 15 15 15348 1 . LEU 16 16 15348 1 . ASP 17 17 15348 1 . GLN 18 18 15348 1 . ILE 19 19 15348 1 . ALA 20 20 15348 1 . LYS 21 21 15348 1 . PHE 22 22 15348 1 . TRP 23 23 15348 1 . GLU 24 24 15348 1 . ILE 25 25 15348 1 . GLN 26 26 15348 1 . GLY 27 27 15348 1 . SER 28 28 15348 1 . SER 29 29 15348 1 . LEU 30 30 15348 1 . LYS 31 31 15348 1 . ILE 32 32 15348 1 . PRO 33 33 15348 1 . ASN 34 34 15348 1 . VAL 35 35 15348 1 . GLU 36 36 15348 1 . ARG 37 37 15348 1 . ARG 38 38 15348 1 . ILE 39 39 15348 1 . LEU 40 40 15348 1 . ASP 41 41 15348 1 . LEU 42 42 15348 1 . TYR 43 43 15348 1 . SER 44 44 15348 1 . LEU 45 45 15348 1 . SER 46 46 15348 1 . LYS 47 47 15348 1 . ILE 48 48 15348 1 . VAL 49 49 15348 1 . VAL 50 50 15348 1 . GLU 51 51 15348 1 . GLU 52 52 15348 1 . GLY 53 53 15348 1 . GLY 54 54 15348 1 . TYR 55 55 15348 1 . GLU 56 56 15348 1 . ALA 57 57 15348 1 . ILE 58 58 15348 1 . CYS 59 59 15348 1 . LYS 60 60 15348 1 . ASP 61 61 15348 1 . ARG 62 62 15348 1 . ARG 63 63 15348 1 . TRP 64 64 15348 1 . ALA 65 65 15348 1 . ARG 66 66 15348 1 . VAL 67 67 15348 1 . ALA 68 68 15348 1 . GLN 69 69 15348 1 . ARG 70 70 15348 1 . LEU 71 71 15348 1 . ASN 72 72 15348 1 . TYR 73 73 15348 1 . PRO 74 74 15348 1 . PRO 75 75 15348 1 . GLY 76 76 15348 1 . LYS 77 77 15348 1 . ASN 78 78 15348 1 . ILE 79 79 15348 1 . GLY 80 80 15348 1 . SER 81 81 15348 1 . LEU 82 82 15348 1 . LEU 83 83 15348 1 . ARG 84 84 15348 1 . SER 85 85 15348 1 . HIS 86 86 15348 1 . TYR 87 87 15348 1 . GLU 88 88 15348 1 . ARG 89 89 15348 1 . ILE 90 90 15348 1 . VAL 91 91 15348 1 . TYR 92 92 15348 1 . PRO 93 93 15348 1 . TYR 94 94 15348 1 . GLU 95 95 15348 1 . MET 96 96 15348 1 . TYR 97 97 15348 1 . GLN 98 98 15348 1 . SER 99 99 15348 1 . GLY 100 100 15348 1 . ALA 101 101 15348 1 . ASN 102 102 15348 1 . LEU 103 103 15348 1 . VAL 104 104 15348 1 . CYS 105 105 15348 1 . ASN 106 106 15348 1 . THR 107 107 15348 1 . ARG 108 108 15348 1 . PRO 109 109 15348 1 . PHE 110 110 15348 1 . ASP 111 111 15348 1 . ASN 112 112 15348 1 . GLU 113 113 15348 1 . GLU 114 114 15348 1 . LYS 115 115 15348 1 . ASP 116 116 15348 1 . LYS 117 117 15348 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 15348 _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 $JARID1C . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15348 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 15348 _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 $JARID1C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-Rosetta 'Rosetta DE3' . . . . . . . . . . . . . . pNIC28-Bsa4 . . . . . . 15348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15348 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N-labelled Bright/ARID domain in 90%H2O/10%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 JARID1C '[U-100% 15N]' . . 1 $JARID1C . . 1 . . mM . . . . 15348 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15348 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15348 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15348 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 13C,15N double -labelled Bright/ARID domain in 100%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 JARID1C '[U-13C; U-15N]' . . 1 $JARID1C . . 1 . . mM . . . . 15348 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15348 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15348 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15348 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N labelled Bright/ARID domain in 100%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 JARID1C '[U-100% 15N]' . . 1 $JARID1C . . 1 . . mM . . . . 15348 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15348 3 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15348 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15348 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 13C,15N double -labelled Bright/ARID domain in 90%H2O/10%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 JARID1C '[U-13C; U-15N]' . . 1 $JARID1C . . 1 . . mM . . . . 15348 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15348 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15348 4 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15348 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15348 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Uniformly 15N-labelled Bright/ARID domain in 90%H2O/10%D2O' 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 6.0 . pH 15348 1 pressure 1 . atm 15348 1 temperature 297 . K 15348 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15348 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'Uniformly 13C/15N- double labelled Bright/ARID domain in 100% D2O' 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* 6.0 . pH 15348 2 pressure 1 . atm 15348 2 temperature 297 . K 15348 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15348 _Software.ID 1 _Software.Name xwinnmr _Software.Version '2.6 and 3.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' 'Rheinstetten, Germany' . 15348 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15348 1 processing 15348 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15348 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.10 _Software.Details http://www.cgl.ucsf.edu/home/sparky/ loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . http://www.cgl.ucsf.edu/home/sparky/ 15348 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15348 2 'data analysis' 15348 2 'peak picking' 15348 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15348 _Software.ID 3 _Software.Name CYANA _Software.Version 2,0 _Software.Details 'G ntert et al., (1997) J. Mol. Biol. 273, 283-298; Herrmann et al., (2002). J. Mol. Biol. 319, 209-227' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15348 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15348 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15348 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.14 _Software.Details 'Schwieters et al., (2003) J. Magn. Reson. 160, 66-74' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . http://nmr.cit.nih.gov/xplor-nih/ 15348 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15348 4 'structure solution' 15348 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15348 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details 'Linge et al (2003)Proteins, 50:496-506' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15348 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'reffnement in explicit water' 15348 5 'structure solution' 15348 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15348 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details 'Cornilescu et al., J. Biomol. NMR, 13 (1999) 289-302' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . http://spin.niddk.nih.gov/NMRPipe/talos/ 15348 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle estimation' 15348 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15348 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15348 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15348 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15348 1 2 spectrometer_2 Bruker DMX . 750 . . . 15348 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 15348 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 2 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 8 '3D H(CCCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 9 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15348 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15348 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15348 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15348 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15348 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 15348 1 2 '3D CBCANH' . . . 15348 1 3 '2D 1H-15N HSQC' . . . 15348 1 4 '2D 1H-13C HSQC' . . . 15348 1 5 '3D HNCA' . . . 15348 1 6 '3D HNCACO' . . . 15348 1 7 '3D HBHA(CO)NH' . . . 15348 1 8 '3D H(CCCO)NH-TOCSY' . . . 15348 1 9 (H)CC(CO)NH-TOCSY . . . 15348 1 10 '3D HCCH-TOCSY' . . . 15348 1 11 '3D HCCH-COSY' . . . 15348 1 12 '3D 1H-15N NOESY' . . . 15348 1 13 '3D 1H-13C NOESY' . . . 15348 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 15348 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 SER HA H 1 4.147 0.05 . 1 . . . . 1 SER HA . 15348 1 2 . 1 1 1 1 SER HB2 H 1 4.021 0.002 . 1 . . . . 1 SER HB2 . 15348 1 3 . 1 1 1 1 SER HB3 H 1 4.021 0.002 . 1 . . . . 1 SER HB3 . 15348 1 4 . 1 1 1 1 SER CB C 13 63.448 0.2 . 1 . . . . 1 SER CB . 15348 1 5 . 1 1 2 2 MET HA H 1 4.534 0.011 . 1 . . . . 2 MET HA . 15348 1 6 . 1 1 2 2 MET HB2 H 1 2.091 0.018 . 1 . . . . 2 MET HB2 . 15348 1 7 . 1 1 2 2 MET HB3 H 1 2.091 0.018 . 1 . . . . 2 MET HB3 . 15348 1 8 . 1 1 2 2 MET HE1 H 1 2.113 0.05 . 1 . . . . 2 MET HE1 . 15348 1 9 . 1 1 2 2 MET HE2 H 1 2.113 0.05 . 1 . . . . 2 MET HE2 . 15348 1 10 . 1 1 2 2 MET HE3 H 1 2.113 0.05 . 1 . . . . 2 MET HE3 . 15348 1 11 . 1 1 2 2 MET HG2 H 1 2.615 0.004 . 1 . . . . 2 MET HG2 . 15348 1 12 . 1 1 2 2 MET HG3 H 1 2.615 0.004 . 1 . . . . 2 MET HG3 . 15348 1 13 . 1 1 2 2 MET C C 13 174.355 0.2 . 1 . . . . 2 MET C . 15348 1 14 . 1 1 2 2 MET CA C 13 56.247 0.2 . 1 . . . . 2 MET CA . 15348 1 15 . 1 1 2 2 MET CB C 13 32.855 0.082 . 1 . . . . 2 MET CB . 15348 1 16 . 1 1 2 2 MET CE C 13 16.888 0.2 . 1 . . . . 2 MET CE . 15348 1 17 . 1 1 2 2 MET CG C 13 31.907 0.2 . 1 . . . . 2 MET CG . 15348 1 18 . 1 1 3 3 ASN H H 1 8.600 0.007 . 1 . . . . 3 ASN H . 15348 1 19 . 1 1 3 3 ASN HA H 1 4.711 0.006 . 1 . . . . 3 ASN HA . 15348 1 20 . 1 1 3 3 ASN HB2 H 1 2.878 0.014 . 1 . . . . 3 ASN HB2 . 15348 1 21 . 1 1 3 3 ASN HB3 H 1 2.878 0.014 . 1 . . . . 3 ASN HB3 . 15348 1 22 . 1 1 3 3 ASN HD21 H 1 7.662 0.05 . 1 . . . . 3 ASN HD21 . 15348 1 23 . 1 1 3 3 ASN HD22 H 1 6.960 0.05 . 1 . . . . 3 ASN HD22 . 15348 1 24 . 1 1 3 3 ASN C C 13 173.983 0.004 . 1 . . . . 3 ASN C . 15348 1 25 . 1 1 3 3 ASN CA C 13 53.650 0.2 . 1 . . . . 3 ASN CA . 15348 1 26 . 1 1 3 3 ASN CB C 13 38.624 0.122 . 1 . . . . 3 ASN CB . 15348 1 27 . 1 1 3 3 ASN N N 15 120.149 0.043 . 1 . . . . 3 ASN N . 15348 1 28 . 1 1 3 3 ASN ND2 N 15 113.028 0.003 . 1 . . . . 3 ASN ND2 . 15348 1 29 . 1 1 4 4 GLU H H 1 8.495 0.003 . 1 . . . . 4 GLU H . 15348 1 30 . 1 1 4 4 GLU HA H 1 4.235 0.016 . 1 . . . . 4 GLU HA . 15348 1 31 . 1 1 4 4 GLU HB2 H 1 2.073 0.004 . 1 . . . . 4 GLU HB2 . 15348 1 32 . 1 1 4 4 GLU HB3 H 1 2.073 0.004 . 1 . . . . 4 GLU HB3 . 15348 1 33 . 1 1 4 4 GLU HG2 H 1 2.300 0.05 . 1 . . . . 4 GLU HG2 . 15348 1 34 . 1 1 4 4 GLU HG3 H 1 2.300 0.05 . 1 . . . . 4 GLU HG3 . 15348 1 35 . 1 1 4 4 GLU C C 13 175.752 0.2 . 1 . . . . 4 GLU C . 15348 1 36 . 1 1 4 4 GLU CA C 13 58.075 0.006 . 1 . . . . 4 GLU CA . 15348 1 37 . 1 1 4 4 GLU CB C 13 30.125 0.034 . 1 . . . . 4 GLU CB . 15348 1 38 . 1 1 4 4 GLU N N 15 121.543 0.035 . 1 . . . . 4 GLU N . 15348 1 39 . 1 1 5 5 LEU HA H 1 4.073 0.05 . 1 . . . . 5 LEU HA . 15348 1 40 . 1 1 5 5 LEU HD11 H 1 1.140 0.05 . 2 . . . . 5 LEU HD11 . 15348 1 41 . 1 1 5 5 LEU HD12 H 1 1.140 0.05 . 2 . . . . 5 LEU HD12 . 15348 1 42 . 1 1 5 5 LEU HD13 H 1 1.140 0.05 . 2 . . . . 5 LEU HD13 . 15348 1 43 . 1 1 5 5 LEU HD21 H 1 1.083 0.006 . 2 . . . . 5 LEU HD21 . 15348 1 44 . 1 1 5 5 LEU HD22 H 1 1.083 0.006 . 2 . . . . 5 LEU HD22 . 15348 1 45 . 1 1 5 5 LEU HD23 H 1 1.083 0.006 . 2 . . . . 5 LEU HD23 . 15348 1 46 . 1 1 5 5 LEU HG H 1 2.141 0.05 . 1 . . . . 5 LEU HG . 15348 1 47 . 1 1 5 5 LEU CB C 13 41.897 0.2 . 1 . . . . 5 LEU CB . 15348 1 48 . 1 1 5 5 LEU CD1 C 13 23.236 0.2 . 2 . . . . 5 LEU CD1 . 15348 1 49 . 1 1 5 5 LEU CD2 C 13 25.456 0.2 . 2 . . . . 5 LEU CD2 . 15348 1 50 . 1 1 6 6 GLU H H 1 8.332 0.001 . 1 . . . . 6 GLU H . 15348 1 51 . 1 1 6 6 GLU HA H 1 3.621 0.011 . 1 . . . . 6 GLU HA . 15348 1 52 . 1 1 6 6 GLU C C 13 176.402 0.006 . 1 . . . . 6 GLU C . 15348 1 53 . 1 1 6 6 GLU CA C 13 58.461 0.2 . 1 . . . . 6 GLU CA . 15348 1 54 . 1 1 6 6 GLU CB C 13 29.730 0.2 . 1 . . . . 6 GLU CB . 15348 1 55 . 1 1 6 6 GLU N N 15 121.462 0.007 . 1 . . . . 6 GLU N . 15348 1 56 . 1 1 7 7 ALA H H 1 8.244 0.012 . 1 . . . . 7 ALA H . 15348 1 57 . 1 1 7 7 ALA HA H 1 4.185 0.003 . 1 . . . . 7 ALA HA . 15348 1 58 . 1 1 7 7 ALA HB1 H 1 1.500 0.004 . 1 . . . . 7 ALA HB1 . 15348 1 59 . 1 1 7 7 ALA HB2 H 1 1.500 0.004 . 1 . . . . 7 ALA HB2 . 15348 1 60 . 1 1 7 7 ALA HB3 H 1 1.500 0.004 . 1 . . . . 7 ALA HB3 . 15348 1 61 . 1 1 7 7 ALA C C 13 177.982 0.005 . 1 . . . . 7 ALA C . 15348 1 62 . 1 1 7 7 ALA CA C 13 54.791 0.2 . 1 . . . . 7 ALA CA . 15348 1 63 . 1 1 7 7 ALA CB C 13 18.836 0.020 . 1 . . . . 7 ALA CB . 15348 1 64 . 1 1 7 7 ALA N N 15 123.078 0.085 . 1 . . . . 7 ALA N . 15348 1 65 . 1 1 8 8 GLN H H 1 8.274 0.004 . 1 . . . . 8 GLN H . 15348 1 66 . 1 1 8 8 GLN HA H 1 4.219 0.005 . 1 . . . . 8 GLN HA . 15348 1 67 . 1 1 8 8 GLN HB2 H 1 2.189 0.007 . 1 . . . . 8 GLN HB2 . 15348 1 68 . 1 1 8 8 GLN HB3 H 1 2.189 0.007 . 1 . . . . 8 GLN HB3 . 15348 1 69 . 1 1 8 8 GLN HE21 H 1 7.542 0.05 . 1 . . . . 8 GLN HE21 . 15348 1 70 . 1 1 8 8 GLN HE22 H 1 6.873 0.05 . 1 . . . . 8 GLN HE22 . 15348 1 71 . 1 1 8 8 GLN HG2 H 1 2.504 0.05 . 1 . . . . 8 GLN HG2 . 15348 1 72 . 1 1 8 8 GLN HG3 H 1 2.504 0.05 . 1 . . . . 8 GLN HG3 . 15348 1 73 . 1 1 8 8 GLN C C 13 176.325 0.003 . 1 . . . . 8 GLN C . 15348 1 74 . 1 1 8 8 GLN CA C 13 57.864 0.057 . 1 . . . . 8 GLN CA . 15348 1 75 . 1 1 8 8 GLN CB C 13 28.768 0.2 . 1 . . . . 8 GLN CB . 15348 1 76 . 1 1 8 8 GLN CG C 13 34.505 0.2 . 1 . . . . 8 GLN CG . 15348 1 77 . 1 1 8 8 GLN N N 15 117.452 0.008 . 1 . . . . 8 GLN N . 15348 1 78 . 1 1 8 8 GLN NE2 N 15 111.883 0.002 . 1 . . . . 8 GLN NE2 . 15348 1 79 . 1 1 9 9 THR H H 1 8.043 0.005 . 1 . . . . 9 THR H . 15348 1 80 . 1 1 9 9 THR HA H 1 3.998 0.012 . 1 . . . . 9 THR HA . 15348 1 81 . 1 1 9 9 THR HB H 1 4.341 0.005 . 1 . . . . 9 THR HB . 15348 1 82 . 1 1 9 9 THR HG21 H 1 1.280 0.007 . 1 . . . . 9 THR HG21 . 15348 1 83 . 1 1 9 9 THR HG22 H 1 1.280 0.007 . 1 . . . . 9 THR HG22 . 15348 1 84 . 1 1 9 9 THR HG23 H 1 1.280 0.007 . 1 . . . . 9 THR HG23 . 15348 1 85 . 1 1 9 9 THR C C 13 173.904 0.005 . 1 . . . . 9 THR C . 15348 1 86 . 1 1 9 9 THR CA C 13 65.435 0.026 . 1 . . . . 9 THR CA . 15348 1 87 . 1 1 9 9 THR CB C 13 68.870 0.2 . 1 . . . . 9 THR CB . 15348 1 88 . 1 1 9 9 THR CG2 C 13 22.516 0.2 . 1 . . . . 9 THR CG2 . 15348 1 89 . 1 1 9 9 THR N N 15 116.135 0.032 . 1 . . . . 9 THR N . 15348 1 90 . 1 1 10 10 ARG H H 1 8.095 0.004 . 1 . . . . 10 ARG H . 15348 1 91 . 1 1 10 10 ARG HA H 1 4.040 0.010 . 1 . . . . 10 ARG HA . 15348 1 92 . 1 1 10 10 ARG HB2 H 1 1.962 0.012 . 1 . . . . 10 ARG HB2 . 15348 1 93 . 1 1 10 10 ARG HB3 H 1 1.962 0.012 . 1 . . . . 10 ARG HB3 . 15348 1 94 . 1 1 10 10 ARG HD2 H 1 3.251 0.003 . 1 . . . . 10 ARG HD2 . 15348 1 95 . 1 1 10 10 ARG HD3 H 1 3.251 0.003 . 1 . . . . 10 ARG HD3 . 15348 1 96 . 1 1 10 10 ARG HG2 H 1 1.738 0.014 . 1 . . . . 10 ARG HG2 . 15348 1 97 . 1 1 10 10 ARG HG3 H 1 1.738 0.014 . 1 . . . . 10 ARG HG3 . 15348 1 98 . 1 1 10 10 ARG C C 13 176.583 0.001 . 1 . . . . 10 ARG C . 15348 1 99 . 1 1 10 10 ARG CA C 13 59.262 0.016 . 1 . . . . 10 ARG CA . 15348 1 100 . 1 1 10 10 ARG CB C 13 29.900 0.112 . 1 . . . . 10 ARG CB . 15348 1 101 . 1 1 10 10 ARG N N 15 121.157 0.006 . 1 . . . . 10 ARG N . 15348 1 102 . 1 1 11 11 VAL H H 1 7.657 0.010 . 1 . . . . 11 VAL H . 15348 1 103 . 1 1 11 11 VAL HA H 1 3.769 0.014 . 1 . . . . 11 VAL HA . 15348 1 104 . 1 1 11 11 VAL HB H 1 2.071 0.020 . 1 . . . . 11 VAL HB . 15348 1 105 . 1 1 11 11 VAL HG11 H 1 1.034 0.045 . 2 . . . . 11 VAL HG11 . 15348 1 106 . 1 1 11 11 VAL HG12 H 1 1.034 0.045 . 2 . . . . 11 VAL HG12 . 15348 1 107 . 1 1 11 11 VAL HG13 H 1 1.034 0.045 . 2 . . . . 11 VAL HG13 . 15348 1 108 . 1 1 11 11 VAL HG21 H 1 0.978 0.063 . 2 . . . . 11 VAL HG21 . 15348 1 109 . 1 1 11 11 VAL HG22 H 1 0.978 0.063 . 2 . . . . 11 VAL HG22 . 15348 1 110 . 1 1 11 11 VAL HG23 H 1 0.978 0.063 . 2 . . . . 11 VAL HG23 . 15348 1 111 . 1 1 11 11 VAL C C 13 176.662 0.009 . 1 . . . . 11 VAL C . 15348 1 112 . 1 1 11 11 VAL CA C 13 65.914 0.013 . 1 . . . . 11 VAL CA . 15348 1 113 . 1 1 11 11 VAL CB C 13 31.745 0.006 . 1 . . . . 11 VAL CB . 15348 1 114 . 1 1 11 11 VAL N N 15 118.580 0.024 . 1 . . . . 11 VAL N . 15348 1 115 . 1 1 12 12 LYS H H 1 7.471 0.011 . 1 . . . . 12 LYS H . 15348 1 116 . 1 1 12 12 LYS HA H 1 3.366 0.015 . 1 . . . . 12 LYS HA . 15348 1 117 . 1 1 12 12 LYS HB2 H 1 1.595 0.004 . 2 . . . . 12 LYS HB2 . 15348 1 118 . 1 1 12 12 LYS HB3 H 1 1.827 0.011 . 2 . . . . 12 LYS HB3 . 15348 1 119 . 1 1 12 12 LYS HE2 H 1 3.063 0.05 . 1 . . . . 12 LYS HE2 . 15348 1 120 . 1 1 12 12 LYS HE3 H 1 3.063 0.05 . 1 . . . . 12 LYS HE3 . 15348 1 121 . 1 1 12 12 LYS HG2 H 1 1.040 0.05 . 2 . . . . 12 LYS HG2 . 15348 1 122 . 1 1 12 12 LYS HG3 H 1 1.338 0.05 . 2 . . . . 12 LYS HG3 . 15348 1 123 . 1 1 12 12 LYS C C 13 176.457 0.005 . 1 . . . . 12 LYS C . 15348 1 124 . 1 1 12 12 LYS CA C 13 59.545 0.010 . 1 . . . . 12 LYS CA . 15348 1 125 . 1 1 12 12 LYS CB C 13 32.206 0.070 . 1 . . . . 12 LYS CB . 15348 1 126 . 1 1 12 12 LYS N N 15 121.835 0.084 . 1 . . . . 12 LYS N . 15348 1 127 . 1 1 13 13 LEU H H 1 8.144 0.019 . 1 . . . . 13 LEU H . 15348 1 128 . 1 1 13 13 LEU HA H 1 4.093 0.002 . 1 . . . . 13 LEU HA . 15348 1 129 . 1 1 13 13 LEU HB2 H 1 1.607 0.012 . 2 . . . . 13 LEU HB2 . 15348 1 130 . 1 1 13 13 LEU HB3 H 1 1.822 0.006 . 2 . . . . 13 LEU HB3 . 15348 1 131 . 1 1 13 13 LEU HD11 H 1 0.893 0.05 . 1 . . . . 13 LEU HD11 . 15348 1 132 . 1 1 13 13 LEU HD12 H 1 0.893 0.05 . 1 . . . . 13 LEU HD12 . 15348 1 133 . 1 1 13 13 LEU HD13 H 1 0.893 0.05 . 1 . . . . 13 LEU HD13 . 15348 1 134 . 1 1 13 13 LEU HD21 H 1 0.893 0.05 . 1 . . . . 13 LEU HD21 . 15348 1 135 . 1 1 13 13 LEU HD22 H 1 0.893 0.05 . 1 . . . . 13 LEU HD22 . 15348 1 136 . 1 1 13 13 LEU HD23 H 1 0.893 0.05 . 1 . . . . 13 LEU HD23 . 15348 1 137 . 1 1 13 13 LEU C C 13 178.254 0.008 . 1 . . . . 13 LEU C . 15348 1 138 . 1 1 13 13 LEU CA C 13 58.023 0.2 . 1 . . . . 13 LEU CA . 15348 1 139 . 1 1 13 13 LEU CB C 13 41.283 0.044 . 1 . . . . 13 LEU CB . 15348 1 140 . 1 1 13 13 LEU N N 15 118.688 0.056 . 1 . . . . 13 LEU N . 15348 1 141 . 1 1 14 14 ASN H H 1 8.384 0.004 . 1 . . . . 14 ASN H . 15348 1 142 . 1 1 14 14 ASN HA H 1 4.567 0.05 . 1 . . . . 14 ASN HA . 15348 1 143 . 1 1 14 14 ASN HB2 H 1 2.935 0.013 . 1 . . . . 14 ASN HB2 . 15348 1 144 . 1 1 14 14 ASN HB3 H 1 2.935 0.013 . 1 . . . . 14 ASN HB3 . 15348 1 145 . 1 1 14 14 ASN HD21 H 1 7.406 0.05 . 1 . . . . 14 ASN HD21 . 15348 1 146 . 1 1 14 14 ASN HD22 H 1 6.783 0.05 . 1 . . . . 14 ASN HD22 . 15348 1 147 . 1 1 14 14 ASN C C 13 175.397 0.008 . 1 . . . . 14 ASN C . 15348 1 148 . 1 1 14 14 ASN CA C 13 56.239 0.2 . 1 . . . . 14 ASN CA . 15348 1 149 . 1 1 14 14 ASN CB C 13 38.432 0.2 . 1 . . . . 14 ASN CB . 15348 1 150 . 1 1 14 14 ASN N N 15 118.175 0.034 . 1 . . . . 14 ASN N . 15348 1 151 . 1 1 14 14 ASN ND2 N 15 112.371 0.003 . 1 . . . . 14 ASN ND2 . 15348 1 152 . 1 1 15 15 TYR H H 1 7.982 0.005 . 1 . . . . 15 TYR H . 15348 1 153 . 1 1 15 15 TYR HA H 1 4.249 0.003 . 1 . . . . 15 TYR HA . 15348 1 154 . 1 1 15 15 TYR HB2 H 1 3.330 0.019 . 1 . . . . 15 TYR HB2 . 15348 1 155 . 1 1 15 15 TYR HB3 H 1 3.330 0.019 . 1 . . . . 15 TYR HB3 . 15348 1 156 . 1 1 15 15 TYR HD1 H 1 7.191 0.009 . 3 . . . . 15 TYR HD1 . 15348 1 157 . 1 1 15 15 TYR HD2 H 1 7.191 0.009 . 3 . . . . 15 TYR HD2 . 15348 1 158 . 1 1 15 15 TYR HE1 H 1 6.840 0.021 . 3 . . . . 15 TYR HE1 . 15348 1 159 . 1 1 15 15 TYR HE2 H 1 6.840 0.021 . 3 . . . . 15 TYR HE2 . 15348 1 160 . 1 1 15 15 TYR C C 13 175.503 0.006 . 1 . . . . 15 TYR C . 15348 1 161 . 1 1 15 15 TYR CA C 13 62.450 0.008 . 1 . . . . 15 TYR CA . 15348 1 162 . 1 1 15 15 TYR CB C 13 39.399 0.018 . 1 . . . . 15 TYR CB . 15348 1 163 . 1 1 15 15 TYR N N 15 121.955 0.012 . 1 . . . . 15 TYR N . 15348 1 164 . 1 1 16 16 LEU H H 1 8.198 0.002 . 1 . . . . 16 LEU H . 15348 1 165 . 1 1 16 16 LEU HA H 1 4.470 0.006 . 1 . . . . 16 LEU HA . 15348 1 166 . 1 1 16 16 LEU HB2 H 1 2.794 0.006 . 2 . . . . 16 LEU HB2 . 15348 1 167 . 1 1 16 16 LEU HB3 H 1 2.917 0.013 . 2 . . . . 16 LEU HB3 . 15348 1 168 . 1 1 16 16 LEU HD11 H 1 1.136 0.05 . 1 . . . . 16 LEU HD11 . 15348 1 169 . 1 1 16 16 LEU HD12 H 1 1.136 0.05 . 1 . . . . 16 LEU HD12 . 15348 1 170 . 1 1 16 16 LEU HD13 H 1 1.136 0.05 . 1 . . . . 16 LEU HD13 . 15348 1 171 . 1 1 16 16 LEU HD21 H 1 1.136 0.05 . 1 . . . . 16 LEU HD21 . 15348 1 172 . 1 1 16 16 LEU HD22 H 1 1.136 0.05 . 1 . . . . 16 LEU HD22 . 15348 1 173 . 1 1 16 16 LEU HD23 H 1 1.136 0.05 . 1 . . . . 16 LEU HD23 . 15348 1 174 . 1 1 16 16 LEU HG H 1 1.466 0.05 . 1 . . . . 16 LEU HG . 15348 1 175 . 1 1 16 16 LEU C C 13 177.125 0.2 . 1 . . . . 16 LEU C . 15348 1 176 . 1 1 16 16 LEU CA C 13 57.374 0.119 . 1 . . . . 16 LEU CA . 15348 1 177 . 1 1 16 16 LEU CB C 13 41.443 0.035 . 1 . . . . 16 LEU CB . 15348 1 178 . 1 1 16 16 LEU N N 15 117.642 0.019 . 1 . . . . 16 LEU N . 15348 1 179 . 1 1 17 17 ASP H H 1 8.061 0.010 . 1 . . . . 17 ASP H . 15348 1 180 . 1 1 17 17 ASP C C 13 177.836 0.2 . 1 . . . . 17 ASP C . 15348 1 181 . 1 1 17 17 ASP CA C 13 57.486 0.2 . 1 . . . . 17 ASP CA . 15348 1 182 . 1 1 17 17 ASP CB C 13 41.433 0.2 . 1 . . . . 17 ASP CB . 15348 1 183 . 1 1 17 17 ASP N N 15 118.700 0.063 . 1 . . . . 17 ASP N . 15348 1 184 . 1 1 18 18 GLN H H 1 8.111 0.016 . 1 . . . . 18 GLN H . 15348 1 185 . 1 1 18 18 GLN HA H 1 4.002 0.003 . 1 . . . . 18 GLN HA . 15348 1 186 . 1 1 18 18 GLN HE21 H 1 7.391 0.007 . 1 . . . . 18 GLN HE21 . 15348 1 187 . 1 1 18 18 GLN HE22 H 1 6.970 0.05 . 1 . . . . 18 GLN HE22 . 15348 1 188 . 1 1 18 18 GLN HG2 H 1 2.604 0.002 . 1 . . . . 18 GLN HG2 . 15348 1 189 . 1 1 18 18 GLN HG3 H 1 2.604 0.002 . 1 . . . . 18 GLN HG3 . 15348 1 190 . 1 1 18 18 GLN CA C 13 59.046 0.2 . 1 . . . . 18 GLN CA . 15348 1 191 . 1 1 18 18 GLN CB C 13 28.700 0.2 . 1 . . . . 18 GLN CB . 15348 1 192 . 1 1 18 18 GLN CG C 13 34.538 0.2 . 1 . . . . 18 GLN CG . 15348 1 193 . 1 1 18 18 GLN N N 15 119.539 0.172 . 1 . . . . 18 GLN N . 15348 1 194 . 1 1 18 18 GLN NE2 N 15 112.505 0.1 . 1 . . . . 18 GLN NE2 . 15348 1 195 . 1 1 19 19 ILE H H 1 8.330 0.013 . 1 . . . . 19 ILE H . 15348 1 196 . 1 1 19 19 ILE HA H 1 3.306 0.004 . 1 . . . . 19 ILE HA . 15348 1 197 . 1 1 19 19 ILE HB H 1 1.064 0.007 . 1 . . . . 19 ILE HB . 15348 1 198 . 1 1 19 19 ILE HD11 H 1 0.878 0.012 . 1 . . . . 19 ILE HD11 . 15348 1 199 . 1 1 19 19 ILE HD12 H 1 0.878 0.012 . 1 . . . . 19 ILE HD12 . 15348 1 200 . 1 1 19 19 ILE HD13 H 1 0.878 0.012 . 1 . . . . 19 ILE HD13 . 15348 1 201 . 1 1 19 19 ILE HG21 H 1 0.983 0.012 . 1 . . . . 19 ILE HG21 . 15348 1 202 . 1 1 19 19 ILE HG22 H 1 0.983 0.012 . 1 . . . . 19 ILE HG22 . 15348 1 203 . 1 1 19 19 ILE HG23 H 1 0.983 0.012 . 1 . . . . 19 ILE HG23 . 15348 1 204 . 1 1 19 19 ILE C C 13 175.608 0.006 . 1 . . . . 19 ILE C . 15348 1 205 . 1 1 19 19 ILE CA C 13 64.760 0.133 . 1 . . . . 19 ILE CA . 15348 1 206 . 1 1 19 19 ILE CB C 13 37.148 0.048 . 1 . . . . 19 ILE CB . 15348 1 207 . 1 1 19 19 ILE CD1 C 13 14.190 0.150 . 1 . . . . 19 ILE CD1 . 15348 1 208 . 1 1 19 19 ILE CG2 C 13 17.624 0.030 . 1 . . . . 19 ILE CG2 . 15348 1 209 . 1 1 19 19 ILE N N 15 121.490 0.053 . 1 . . . . 19 ILE N . 15348 1 210 . 1 1 20 20 ALA H H 1 8.057 0.005 . 1 . . . . 20 ALA H . 15348 1 211 . 1 1 20 20 ALA HA H 1 4.349 0.05 . 1 . . . . 20 ALA HA . 15348 1 212 . 1 1 20 20 ALA HB1 H 1 1.657 0.017 . 1 . . . . 20 ALA HB1 . 15348 1 213 . 1 1 20 20 ALA HB2 H 1 1.657 0.017 . 1 . . . . 20 ALA HB2 . 15348 1 214 . 1 1 20 20 ALA HB3 H 1 1.657 0.017 . 1 . . . . 20 ALA HB3 . 15348 1 215 . 1 1 20 20 ALA C C 13 179.297 0.010 . 1 . . . . 20 ALA C . 15348 1 216 . 1 1 20 20 ALA CA C 13 56.150 0.2 . 1 . . . . 20 ALA CA . 15348 1 217 . 1 1 20 20 ALA CB C 13 18.104 0.056 . 1 . . . . 20 ALA CB . 15348 1 218 . 1 1 20 20 ALA N N 15 124.441 0.017 . 1 . . . . 20 ALA N . 15348 1 219 . 1 1 21 21 LYS H H 1 8.116 0.006 . 1 . . . . 21 LYS H . 15348 1 220 . 1 1 21 21 LYS HA H 1 4.108 0.022 . 1 . . . . 21 LYS HA . 15348 1 221 . 1 1 21 21 LYS HB2 H 1 1.952 0.015 . 1 . . . . 21 LYS HB2 . 15348 1 222 . 1 1 21 21 LYS HB3 H 1 1.952 0.015 . 1 . . . . 21 LYS HB3 . 15348 1 223 . 1 1 21 21 LYS HD2 H 1 1.691 0.006 . 1 . . . . 21 LYS HD2 . 15348 1 224 . 1 1 21 21 LYS HD3 H 1 1.691 0.006 . 1 . . . . 21 LYS HD3 . 15348 1 225 . 1 1 21 21 LYS HE2 H 1 3.004 0.012 . 1 . . . . 21 LYS HE2 . 15348 1 226 . 1 1 21 21 LYS HE3 H 1 3.004 0.012 . 1 . . . . 21 LYS HE3 . 15348 1 227 . 1 1 21 21 LYS HG2 H 1 1.554 0.05 . 1 . . . . 21 LYS HG2 . 15348 1 228 . 1 1 21 21 LYS HG3 H 1 1.554 0.05 . 1 . . . . 21 LYS HG3 . 15348 1 229 . 1 1 21 21 LYS C C 13 176.720 0.010 . 1 . . . . 21 LYS C . 15348 1 230 . 1 1 21 21 LYS CA C 13 59.166 0.2 . 1 . . . . 21 LYS CA . 15348 1 231 . 1 1 21 21 LYS CB C 13 32.085 0.040 . 1 . . . . 21 LYS CB . 15348 1 232 . 1 1 21 21 LYS CE C 13 42.121 0.175 . 1 . . . . 21 LYS CE . 15348 1 233 . 1 1 21 21 LYS N N 15 119.865 0.036 . 1 . . . . 21 LYS N . 15348 1 234 . 1 1 22 22 PHE H H 1 7.875 0.005 . 1 . . . . 22 PHE H . 15348 1 235 . 1 1 22 22 PHE HA H 1 4.012 0.05 . 1 . . . . 22 PHE HA . 15348 1 236 . 1 1 22 22 PHE HB2 H 1 3.088 0.004 . 1 . . . . 22 PHE HB2 . 15348 1 237 . 1 1 22 22 PHE HB3 H 1 3.088 0.004 . 1 . . . . 22 PHE HB3 . 15348 1 238 . 1 1 22 22 PHE HD1 H 1 6.061 0.014 . 3 . . . . 22 PHE HD1 . 15348 1 239 . 1 1 22 22 PHE HD2 H 1 6.061 0.014 . 3 . . . . 22 PHE HD2 . 15348 1 240 . 1 1 22 22 PHE HE1 H 1 5.930 0.010 . 3 . . . . 22 PHE HE1 . 15348 1 241 . 1 1 22 22 PHE HE2 H 1 5.930 0.010 . 3 . . . . 22 PHE HE2 . 15348 1 242 . 1 1 22 22 PHE C C 13 175.545 0.009 . 1 . . . . 22 PHE C . 15348 1 243 . 1 1 22 22 PHE CA C 13 61.070 0.096 . 1 . . . . 22 PHE CA . 15348 1 244 . 1 1 22 22 PHE CB C 13 39.072 0.2 . 1 . . . . 22 PHE CB . 15348 1 245 . 1 1 22 22 PHE CD1 C 13 131.597 0.2 . 3 . . . . 22 PHE CD1 . 15348 1 246 . 1 1 22 22 PHE CD2 C 13 131.597 0.2 . 3 . . . . 22 PHE CD2 . 15348 1 247 . 1 1 22 22 PHE CE1 C 13 130.906 0.033 . 3 . . . . 22 PHE CE1 . 15348 1 248 . 1 1 22 22 PHE CE2 C 13 130.906 0.033 . 3 . . . . 22 PHE CE2 . 15348 1 249 . 1 1 22 22 PHE N N 15 119.729 0.015 . 1 . . . . 22 PHE N . 15348 1 250 . 1 1 23 23 TRP H H 1 7.841 0.015 . 1 . . . . 23 TRP H . 15348 1 251 . 1 1 23 23 TRP HA H 1 4.149 0.05 . 1 . . . . 23 TRP HA . 15348 1 252 . 1 1 23 23 TRP HB2 H 1 2.981 0.002 . 2 . . . . 23 TRP HB2 . 15348 1 253 . 1 1 23 23 TRP HB3 H 1 3.537 0.004 . 2 . . . . 23 TRP HB3 . 15348 1 254 . 1 1 23 23 TRP HD1 H 1 7.391 0.006 . 1 . . . . 23 TRP HD1 . 15348 1 255 . 1 1 23 23 TRP HE1 H 1 10.383 0.007 . 1 . . . . 23 TRP HE1 . 15348 1 256 . 1 1 23 23 TRP HE3 H 1 7.591 0.05 . 1 . . . . 23 TRP HE3 . 15348 1 257 . 1 1 23 23 TRP HH2 H 1 7.406 0.017 . 1 . . . . 23 TRP HH2 . 15348 1 258 . 1 1 23 23 TRP HZ2 H 1 7.801 0.006 . 1 . . . . 23 TRP HZ2 . 15348 1 259 . 1 1 23 23 TRP HZ3 H 1 7.178 0.009 . 1 . . . . 23 TRP HZ3 . 15348 1 260 . 1 1 23 23 TRP C C 13 176.668 0.013 . 1 . . . . 23 TRP C . 15348 1 261 . 1 1 23 23 TRP CB C 13 28.543 0.2 . 1 . . . . 23 TRP CB . 15348 1 262 . 1 1 23 23 TRP CD1 C 13 126.705 0.030 . 1 . . . . 23 TRP CD1 . 15348 1 263 . 1 1 23 23 TRP CE3 C 13 120.788 0.2 . 1 . . . . 23 TRP CE3 . 15348 1 264 . 1 1 23 23 TRP CH2 C 13 124.666 0.2 . 1 . . . . 23 TRP CH2 . 15348 1 265 . 1 1 23 23 TRP CZ2 C 13 115.487 0.016 . 1 . . . . 23 TRP CZ2 . 15348 1 266 . 1 1 23 23 TRP CZ3 C 13 122.310 0.020 . 1 . . . . 23 TRP CZ3 . 15348 1 267 . 1 1 23 23 TRP N N 15 119.440 0.113 . 1 . . . . 23 TRP N . 15348 1 268 . 1 1 23 23 TRP NE1 N 15 125.229 0.013 . 1 . . . . 23 TRP NE1 . 15348 1 269 . 1 1 24 24 GLU H H 1 8.261 0.007 . 1 . . . . 24 GLU H . 15348 1 270 . 1 1 24 24 GLU HA H 1 4.265 0.015 . 1 . . . . 24 GLU HA . 15348 1 271 . 1 1 24 24 GLU HB2 H 1 2.237 0.05 . 2 . . . . 24 GLU HB2 . 15348 1 272 . 1 1 24 24 GLU HB3 H 1 2.398 0.262 . 2 . . . . 24 GLU HB3 . 15348 1 273 . 1 1 24 24 GLU HG2 H 1 2.285 0.006 . 2 . . . . 24 GLU HG2 . 15348 1 274 . 1 1 24 24 GLU HG3 H 1 2.437 0.05 . 2 . . . . 24 GLU HG3 . 15348 1 275 . 1 1 24 24 GLU C C 13 179.679 0.012 . 1 . . . . 24 GLU C . 15348 1 276 . 1 1 24 24 GLU CA C 13 59.706 0.2 . 1 . . . . 24 GLU CA . 15348 1 277 . 1 1 24 24 GLU CB C 13 29.720 0.2 . 1 . . . . 24 GLU CB . 15348 1 278 . 1 1 24 24 GLU CG C 13 36.557 0.2 . 1 . . . . 24 GLU CG . 15348 1 279 . 1 1 24 24 GLU N N 15 121.376 0.017 . 1 . . . . 24 GLU N . 15348 1 280 . 1 1 25 25 ILE H H 1 8.071 0.006 . 1 . . . . 25 ILE H . 15348 1 281 . 1 1 25 25 ILE HA H 1 3.815 0.015 . 1 . . . . 25 ILE HA . 15348 1 282 . 1 1 25 25 ILE HB H 1 1.911 0.007 . 1 . . . . 25 ILE HB . 15348 1 283 . 1 1 25 25 ILE HD11 H 1 0.830 0.013 . 1 . . . . 25 ILE HD11 . 15348 1 284 . 1 1 25 25 ILE HD12 H 1 0.830 0.013 . 1 . . . . 25 ILE HD12 . 15348 1 285 . 1 1 25 25 ILE HD13 H 1 0.830 0.013 . 1 . . . . 25 ILE HD13 . 15348 1 286 . 1 1 25 25 ILE HG12 H 1 1.205 0.05 . 2 . . . . 25 ILE HG12 . 15348 1 287 . 1 1 25 25 ILE HG13 H 1 1.607 0.05 . 2 . . . . 25 ILE HG13 . 15348 1 288 . 1 1 25 25 ILE HG21 H 1 0.811 0.006 . 1 . . . . 25 ILE HG21 . 15348 1 289 . 1 1 25 25 ILE HG22 H 1 0.811 0.006 . 1 . . . . 25 ILE HG22 . 15348 1 290 . 1 1 25 25 ILE HG23 H 1 0.811 0.006 . 1 . . . . 25 ILE HG23 . 15348 1 291 . 1 1 25 25 ILE C C 13 176.343 0.2 . 1 . . . . 25 ILE C . 15348 1 292 . 1 1 25 25 ILE CA C 13 64.464 0.047 . 1 . . . . 25 ILE CA . 15348 1 293 . 1 1 25 25 ILE CB C 13 37.371 0.039 . 1 . . . . 25 ILE CB . 15348 1 294 . 1 1 25 25 ILE CD1 C 13 13.358 0.072 . 1 . . . . 25 ILE CD1 . 15348 1 295 . 1 1 25 25 ILE CG2 C 13 17.264 0.2 . 1 . . . . 25 ILE CG2 . 15348 1 296 . 1 1 25 25 ILE N N 15 121.499 0.030 . 1 . . . . 25 ILE N . 15348 1 297 . 1 1 26 26 GLN H H 1 7.327 0.005 . 1 . . . . 26 GLN H . 15348 1 298 . 1 1 26 26 GLN HA H 1 4.074 0.010 . 1 . . . . 26 GLN HA . 15348 1 299 . 1 1 26 26 GLN HB2 H 1 1.868 0.008 . 1 . . . . 26 GLN HB2 . 15348 1 300 . 1 1 26 26 GLN HB3 H 1 1.868 0.019 . 1 . . . . 26 GLN HB3 . 15348 1 301 . 1 1 26 26 GLN HE21 H 1 6.176 0.05 . 1 . . . . 26 GLN HE21 . 15348 1 302 . 1 1 26 26 GLN HE22 H 1 5.738 0.05 . 1 . . . . 26 GLN HE22 . 15348 1 303 . 1 1 26 26 GLN HG2 H 1 1.335 0.002 . 2 . . . . 26 GLN HG2 . 15348 1 304 . 1 1 26 26 GLN HG3 H 1 1.524 0.05 . 2 . . . . 26 GLN HG3 . 15348 1 305 . 1 1 26 26 GLN C C 13 174.906 0.007 . 1 . . . . 26 GLN C . 15348 1 306 . 1 1 26 26 GLN CA C 13 55.450 0.031 . 1 . . . . 26 GLN CA . 15348 1 307 . 1 1 26 26 GLN CB C 13 28.458 0.014 . 1 . . . . 26 GLN CB . 15348 1 308 . 1 1 26 26 GLN CG C 13 32.698 0.2 . 1 . . . . 26 GLN CG . 15348 1 309 . 1 1 26 26 GLN N N 15 116.532 0.012 . 1 . . . . 26 GLN N . 15348 1 310 . 1 1 26 26 GLN NE2 N 15 112.608 0.004 . 1 . . . . 26 GLN NE2 . 15348 1 311 . 1 1 27 27 GLY H H 1 7.861 0.010 . 1 . . . . 27 GLY H . 15348 1 312 . 1 1 27 27 GLY HA2 H 1 4.297 0.05 . 2 . . . . 27 GLY HA2 . 15348 1 313 . 1 1 27 27 GLY HA3 H 1 3.823 0.05 . 2 . . . . 27 GLY HA3 . 15348 1 314 . 1 1 27 27 GLY C C 13 172.698 0.005 . 1 . . . . 27 GLY C . 15348 1 315 . 1 1 27 27 GLY CA C 13 45.608 0.054 . 1 . . . . 27 GLY CA . 15348 1 316 . 1 1 27 27 GLY N N 15 106.837 0.009 . 1 . . . . 27 GLY N . 15348 1 317 . 1 1 28 28 SER H H 1 8.083 0.003 . 1 . . . . 28 SER H . 15348 1 318 . 1 1 28 28 SER HA H 1 4.777 0.003 . 1 . . . . 28 SER HA . 15348 1 319 . 1 1 28 28 SER HB2 H 1 3.774 0.007 . 2 . . . . 28 SER HB2 . 15348 1 320 . 1 1 28 28 SER HB3 H 1 3.865 0.05 . 2 . . . . 28 SER HB3 . 15348 1 321 . 1 1 28 28 SER C C 13 171.196 0.2 . 1 . . . . 28 SER C . 15348 1 322 . 1 1 28 28 SER CA C 13 56.041 0.073 . 1 . . . . 28 SER CA . 15348 1 323 . 1 1 28 28 SER CB C 13 64.539 0.093 . 1 . . . . 28 SER CB . 15348 1 324 . 1 1 28 28 SER N N 15 116.151 0.036 . 1 . . . . 28 SER N . 15348 1 325 . 1 1 29 29 SER H H 1 8.354 0.002 . 1 . . . . 29 SER H . 15348 1 326 . 1 1 29 29 SER HA H 1 4.389 0.018 . 1 . . . . 29 SER HA . 15348 1 327 . 1 1 29 29 SER HB2 H 1 3.719 0.005 . 2 . . . . 29 SER HB2 . 15348 1 328 . 1 1 29 29 SER HB3 H 1 3.836 0.016 . 2 . . . . 29 SER HB3 . 15348 1 329 . 1 1 29 29 SER C C 13 172.166 0.2 . 1 . . . . 29 SER C . 15348 1 330 . 1 1 29 29 SER CA C 13 58.107 0.039 . 1 . . . . 29 SER CA . 15348 1 331 . 1 1 29 29 SER CB C 13 63.853 0.084 . 1 . . . . 29 SER CB . 15348 1 332 . 1 1 29 29 SER N N 15 116.596 0.020 . 1 . . . . 29 SER N . 15348 1 333 . 1 1 30 30 LEU H H 1 8.990 0.007 . 1 . . . . 30 LEU H . 15348 1 334 . 1 1 30 30 LEU HA H 1 3.964 0.014 . 1 . . . . 30 LEU HA . 15348 1 335 . 1 1 30 30 LEU HB2 H 1 1.343 0.001 . 2 . . . . 30 LEU HB2 . 15348 1 336 . 1 1 30 30 LEU HB3 H 1 1.962 0.003 . 2 . . . . 30 LEU HB3 . 15348 1 337 . 1 1 30 30 LEU HD11 H 1 0.893 0.008 . 2 . . . . 30 LEU HD11 . 15348 1 338 . 1 1 30 30 LEU HD12 H 1 0.893 0.008 . 2 . . . . 30 LEU HD12 . 15348 1 339 . 1 1 30 30 LEU HD13 H 1 0.893 0.008 . 2 . . . . 30 LEU HD13 . 15348 1 340 . 1 1 30 30 LEU HD21 H 1 0.697 0.010 . 2 . . . . 30 LEU HD21 . 15348 1 341 . 1 1 30 30 LEU HD22 H 1 0.697 0.010 . 2 . . . . 30 LEU HD22 . 15348 1 342 . 1 1 30 30 LEU HD23 H 1 0.697 0.010 . 2 . . . . 30 LEU HD23 . 15348 1 343 . 1 1 30 30 LEU HG H 1 1.309 0.05 . 1 . . . . 30 LEU HG . 15348 1 344 . 1 1 30 30 LEU C C 13 173.752 0.2 . 1 . . . . 30 LEU C . 15348 1 345 . 1 1 30 30 LEU CA C 13 55.193 0.112 . 1 . . . . 30 LEU CA . 15348 1 346 . 1 1 30 30 LEU CB C 13 42.869 0.047 . 1 . . . . 30 LEU CB . 15348 1 347 . 1 1 30 30 LEU CD1 C 13 26.679 0.056 . 2 . . . . 30 LEU CD1 . 15348 1 348 . 1 1 30 30 LEU CD2 C 13 23.947 0.048 . 2 . . . . 30 LEU CD2 . 15348 1 349 . 1 1 30 30 LEU N N 15 125.860 0.017 . 1 . . . . 30 LEU N . 15348 1 350 . 1 1 31 31 LYS H H 1 8.118 0.006 . 1 . . . . 31 LYS H . 15348 1 351 . 1 1 31 31 LYS HA H 1 4.498 0.009 . 1 . . . . 31 LYS HA . 15348 1 352 . 1 1 31 31 LYS HB2 H 1 1.597 0.004 . 1 . . . . 31 LYS HB2 . 15348 1 353 . 1 1 31 31 LYS HB3 H 1 1.597 0.004 . 1 . . . . 31 LYS HB3 . 15348 1 354 . 1 1 31 31 LYS HD2 H 1 1.615 0.05 . 1 . . . . 31 LYS HD2 . 15348 1 355 . 1 1 31 31 LYS HD3 H 1 1.615 0.05 . 1 . . . . 31 LYS HD3 . 15348 1 356 . 1 1 31 31 LYS HE2 H 1 2.926 0.05 . 1 . . . . 31 LYS HE2 . 15348 1 357 . 1 1 31 31 LYS HE3 H 1 2.926 0.05 . 1 . . . . 31 LYS HE3 . 15348 1 358 . 1 1 31 31 LYS HG2 H 1 1.273 0.004 . 1 . . . . 31 LYS HG2 . 15348 1 359 . 1 1 31 31 LYS HG3 H 1 1.273 0.004 . 1 . . . . 31 LYS HG3 . 15348 1 360 . 1 1 31 31 LYS C C 13 173.555 0.2 . 1 . . . . 31 LYS C . 15348 1 361 . 1 1 31 31 LYS CA C 13 54.372 0.094 . 1 . . . . 31 LYS CA . 15348 1 362 . 1 1 31 31 LYS CB C 13 32.814 0.024 . 1 . . . . 31 LYS CB . 15348 1 363 . 1 1 31 31 LYS CD C 13 28.988 0.042 . 1 . . . . 31 LYS CD . 15348 1 364 . 1 1 31 31 LYS CE C 13 42.248 0.2 . 1 . . . . 31 LYS CE . 15348 1 365 . 1 1 31 31 LYS N N 15 129.965 0.036 . 1 . . . . 31 LYS N . 15348 1 366 . 1 1 32 32 ILE H H 1 8.717 0.004 . 1 . . . . 32 ILE H . 15348 1 367 . 1 1 32 32 ILE HA H 1 4.011 0.003 . 1 . . . . 32 ILE HA . 15348 1 368 . 1 1 32 32 ILE HB H 1 1.833 0.014 . 1 . . . . 32 ILE HB . 15348 1 369 . 1 1 32 32 ILE HD11 H 1 1.018 0.004 . 1 . . . . 32 ILE HD11 . 15348 1 370 . 1 1 32 32 ILE HD12 H 1 1.018 0.004 . 1 . . . . 32 ILE HD12 . 15348 1 371 . 1 1 32 32 ILE HD13 H 1 1.018 0.004 . 1 . . . . 32 ILE HD13 . 15348 1 372 . 1 1 32 32 ILE HG12 H 1 1.764 0.018 . 1 . . . . 32 ILE HG12 . 15348 1 373 . 1 1 32 32 ILE HG13 H 1 1.764 0.018 . 1 . . . . 32 ILE HG13 . 15348 1 374 . 1 1 32 32 ILE HG21 H 1 1.196 0.007 . 1 . . . . 32 ILE HG21 . 15348 1 375 . 1 1 32 32 ILE HG22 H 1 1.196 0.007 . 1 . . . . 32 ILE HG22 . 15348 1 376 . 1 1 32 32 ILE HG23 H 1 1.196 0.007 . 1 . . . . 32 ILE HG23 . 15348 1 377 . 1 1 32 32 ILE C C 13 173.038 0.2 . 1 . . . . 32 ILE C . 15348 1 378 . 1 1 32 32 ILE CA C 13 59.921 0.2 . 1 . . . . 32 ILE CA . 15348 1 379 . 1 1 32 32 ILE CB C 13 38.139 0.011 . 1 . . . . 32 ILE CB . 15348 1 380 . 1 1 32 32 ILE CD1 C 13 13.168 0.2 . 1 . . . . 32 ILE CD1 . 15348 1 381 . 1 1 32 32 ILE CG2 C 13 18.921 0.012 . 1 . . . . 32 ILE CG2 . 15348 1 382 . 1 1 32 32 ILE N N 15 127.091 0.024 . 1 . . . . 32 ILE N . 15348 1 383 . 1 1 33 33 PRO HA H 1 4.412 0.013 . 1 . . . . 33 PRO HA . 15348 1 384 . 1 1 33 33 PRO HB2 H 1 1.911 0.003 . 2 . . . . 33 PRO HB2 . 15348 1 385 . 1 1 33 33 PRO HB3 H 1 1.369 0.055 . 2 . . . . 33 PRO HB3 . 15348 1 386 . 1 1 33 33 PRO HD2 H 1 3.289 0.015 . 1 . . . . 33 PRO HD2 . 15348 1 387 . 1 1 33 33 PRO HD3 H 1 3.289 0.015 . 1 . . . . 33 PRO HD3 . 15348 1 388 . 1 1 33 33 PRO HG2 H 1 1.076 0.013 . 1 . . . . 33 PRO HG2 . 15348 1 389 . 1 1 33 33 PRO HG3 H 1 1.076 0.013 . 1 . . . . 33 PRO HG3 . 15348 1 390 . 1 1 33 33 PRO C C 13 172.724 0.2 . 1 . . . . 33 PRO C . 15348 1 391 . 1 1 33 33 PRO CA C 13 62.565 0.081 . 1 . . . . 33 PRO CA . 15348 1 392 . 1 1 33 33 PRO CB C 13 32.728 0.064 . 1 . . . . 33 PRO CB . 15348 1 393 . 1 1 33 33 PRO CD C 13 50.588 0.074 . 1 . . . . 33 PRO CD . 15348 1 394 . 1 1 34 34 ASN H H 1 8.265 0.015 . 1 . . . . 34 ASN H . 15348 1 395 . 1 1 34 34 ASN HA H 1 5.147 0.015 . 1 . . . . 34 ASN HA . 15348 1 396 . 1 1 34 34 ASN HB2 H 1 2.262 0.012 . 2 . . . . 34 ASN HB2 . 15348 1 397 . 1 1 34 34 ASN HB3 H 1 2.554 0.012 . 2 . . . . 34 ASN HB3 . 15348 1 398 . 1 1 34 34 ASN HD21 H 1 7.226 0.05 . 1 . . . . 34 ASN HD21 . 15348 1 399 . 1 1 34 34 ASN HD22 H 1 6.571 0.05 . 1 . . . . 34 ASN HD22 . 15348 1 400 . 1 1 34 34 ASN C C 13 174.079 0.2 . 1 . . . . 34 ASN C . 15348 1 401 . 1 1 34 34 ASN CA C 13 52.088 0.029 . 1 . . . . 34 ASN CA . 15348 1 402 . 1 1 34 34 ASN CB C 13 40.387 0.044 . 1 . . . . 34 ASN CB . 15348 1 403 . 1 1 34 34 ASN N N 15 116.424 0.063 . 1 . . . . 34 ASN N . 15348 1 404 . 1 1 34 34 ASN ND2 N 15 111.092 0.003 . 1 . . . . 34 ASN ND2 . 15348 1 405 . 1 1 35 35 VAL H H 1 8.904 0.009 . 1 . . . . 35 VAL H . 15348 1 406 . 1 1 35 35 VAL HA H 1 4.159 0.025 . 1 . . . . 35 VAL HA . 15348 1 407 . 1 1 35 35 VAL HB H 1 2.034 0.006 . 1 . . . . 35 VAL HB . 15348 1 408 . 1 1 35 35 VAL HG11 H 1 0.603 0.110 . 1 . . . . 35 VAL HG11 . 15348 1 409 . 1 1 35 35 VAL HG12 H 1 0.603 0.110 . 1 . . . . 35 VAL HG12 . 15348 1 410 . 1 1 35 35 VAL HG13 H 1 0.603 0.110 . 1 . . . . 35 VAL HG13 . 15348 1 411 . 1 1 35 35 VAL HG21 H 1 0.603 0.110 . 1 . . . . 35 VAL HG21 . 15348 1 412 . 1 1 35 35 VAL HG22 H 1 0.603 0.110 . 1 . . . . 35 VAL HG22 . 15348 1 413 . 1 1 35 35 VAL HG23 H 1 0.603 0.110 . 1 . . . . 35 VAL HG23 . 15348 1 414 . 1 1 35 35 VAL C C 13 173.834 0.2 . 1 . . . . 35 VAL C . 15348 1 415 . 1 1 35 35 VAL CA C 13 61.953 0.043 . 1 . . . . 35 VAL CA . 15348 1 416 . 1 1 35 35 VAL CB C 13 34.432 0.038 . 1 . . . . 35 VAL CB . 15348 1 417 . 1 1 35 35 VAL CG1 C 13 21.679 0.004 . 1 . . . . 35 VAL CG1 . 15348 1 418 . 1 1 35 35 VAL CG2 C 13 21.679 0.004 . 1 . . . . 35 VAL CG2 . 15348 1 419 . 1 1 35 35 VAL N N 15 122.778 0.045 . 1 . . . . 35 VAL N . 15348 1 420 . 1 1 36 36 GLU H H 1 9.560 0.003 . 1 . . . . 36 GLU H . 15348 1 421 . 1 1 36 36 GLU HA H 1 3.819 0.015 . 1 . . . . 36 GLU HA . 15348 1 422 . 1 1 36 36 GLU HB2 H 1 2.139 0.009 . 2 . . . . 36 GLU HB2 . 15348 1 423 . 1 1 36 36 GLU HB3 H 1 2.514 0.010 . 2 . . . . 36 GLU HB3 . 15348 1 424 . 1 1 36 36 GLU HG2 H 1 2.168 0.006 . 2 . . . . 36 GLU HG2 . 15348 1 425 . 1 1 36 36 GLU HG3 H 1 2.370 0.013 . 2 . . . . 36 GLU HG3 . 15348 1 426 . 1 1 36 36 GLU C C 13 173.604 0.2 . 1 . . . . 36 GLU C . 15348 1 427 . 1 1 36 36 GLU CA C 13 57.131 0.008 . 1 . . . . 36 GLU CA . 15348 1 428 . 1 1 36 36 GLU CB C 13 27.464 0.066 . 1 . . . . 36 GLU CB . 15348 1 429 . 1 1 36 36 GLU CG C 13 36.961 0.110 . 1 . . . . 36 GLU CG . 15348 1 430 . 1 1 36 36 GLU N N 15 127.014 0.004 . 1 . . . . 36 GLU N . 15348 1 431 . 1 1 37 37 ARG H H 1 8.578 0.007 . 1 . . . . 37 ARG H . 15348 1 432 . 1 1 37 37 ARG HA H 1 3.792 0.006 . 1 . . . . 37 ARG HA . 15348 1 433 . 1 1 37 37 ARG HB2 H 1 1.826 0.05 . 1 . . . . 37 ARG HB2 . 15348 1 434 . 1 1 37 37 ARG HB3 H 1 1.826 0.05 . 1 . . . . 37 ARG HB3 . 15348 1 435 . 1 1 37 37 ARG HD2 H 1 3.231 0.007 . 1 . . . . 37 ARG HD2 . 15348 1 436 . 1 1 37 37 ARG HD3 H 1 3.231 0.007 . 1 . . . . 37 ARG HD3 . 15348 1 437 . 1 1 37 37 ARG HG2 H 1 1.577 0.05 . 1 . . . . 37 ARG HG2 . 15348 1 438 . 1 1 37 37 ARG HG3 H 1 1.577 0.05 . 1 . . . . 37 ARG HG3 . 15348 1 439 . 1 1 37 37 ARG C C 13 173.371 0.2 . 1 . . . . 37 ARG C . 15348 1 440 . 1 1 37 37 ARG CA C 13 57.952 0.050 . 1 . . . . 37 ARG CA . 15348 1 441 . 1 1 37 37 ARG CB C 13 27.657 0.2 . 1 . . . . 37 ARG CB . 15348 1 442 . 1 1 37 37 ARG CD C 13 43.234 0.128 . 1 . . . . 37 ARG CD . 15348 1 443 . 1 1 37 37 ARG N N 15 108.362 0.065 . 1 . . . . 37 ARG N . 15348 1 444 . 1 1 38 38 ARG H H 1 7.696 0.006 . 1 . . . . 38 ARG H . 15348 1 445 . 1 1 38 38 ARG HA H 1 4.743 0.012 . 1 . . . . 38 ARG HA . 15348 1 446 . 1 1 38 38 ARG HB2 H 1 1.927 0.003 . 1 . . . . 38 ARG HB2 . 15348 1 447 . 1 1 38 38 ARG HB3 H 1 1.927 0.003 . 1 . . . . 38 ARG HB3 . 15348 1 448 . 1 1 38 38 ARG HD2 H 1 3.224 0.011 . 1 . . . . 38 ARG HD2 . 15348 1 449 . 1 1 38 38 ARG HD3 H 1 3.224 0.011 . 1 . . . . 38 ARG HD3 . 15348 1 450 . 1 1 38 38 ARG HG2 H 1 1.740 0.023 . 1 . . . . 38 ARG HG2 . 15348 1 451 . 1 1 38 38 ARG HG3 H 1 1.740 0.023 . 1 . . . . 38 ARG HG3 . 15348 1 452 . 1 1 38 38 ARG C C 13 173.513 0.2 . 1 . . . . 38 ARG C . 15348 1 453 . 1 1 38 38 ARG CA C 13 54.507 0.2 . 1 . . . . 38 ARG CA . 15348 1 454 . 1 1 38 38 ARG CB C 13 33.751 0.004 . 1 . . . . 38 ARG CB . 15348 1 455 . 1 1 38 38 ARG CD C 13 44.067 0.011 . 1 . . . . 38 ARG CD . 15348 1 456 . 1 1 38 38 ARG N N 15 118.370 0.084 . 1 . . . . 38 ARG N . 15348 1 457 . 1 1 39 39 ILE H H 1 8.463 0.002 . 1 . . . . 39 ILE H . 15348 1 458 . 1 1 39 39 ILE HA H 1 4.184 0.019 . 1 . . . . 39 ILE HA . 15348 1 459 . 1 1 39 39 ILE HB H 1 1.769 0.005 . 1 . . . . 39 ILE HB . 15348 1 460 . 1 1 39 39 ILE HD11 H 1 0.882 0.008 . 1 . . . . 39 ILE HD11 . 15348 1 461 . 1 1 39 39 ILE HD12 H 1 0.882 0.008 . 1 . . . . 39 ILE HD12 . 15348 1 462 . 1 1 39 39 ILE HD13 H 1 0.882 0.008 . 1 . . . . 39 ILE HD13 . 15348 1 463 . 1 1 39 39 ILE HG12 H 1 1.546 0.005 . 2 . . . . 39 ILE HG12 . 15348 1 464 . 1 1 39 39 ILE HG13 H 1 1.296 0.015 . 2 . . . . 39 ILE HG13 . 15348 1 465 . 1 1 39 39 ILE HG21 H 1 0.890 0.019 . 1 . . . . 39 ILE HG21 . 15348 1 466 . 1 1 39 39 ILE HG22 H 1 0.890 0.019 . 1 . . . . 39 ILE HG22 . 15348 1 467 . 1 1 39 39 ILE HG23 H 1 0.890 0.019 . 1 . . . . 39 ILE HG23 . 15348 1 468 . 1 1 39 39 ILE C C 13 175.150 0.2 . 1 . . . . 39 ILE C . 15348 1 469 . 1 1 39 39 ILE CA C 13 62.076 0.124 . 1 . . . . 39 ILE CA . 15348 1 470 . 1 1 39 39 ILE CB C 13 38.864 0.017 . 1 . . . . 39 ILE CB . 15348 1 471 . 1 1 39 39 ILE CD1 C 13 13.663 0.040 . 1 . . . . 39 ILE CD1 . 15348 1 472 . 1 1 39 39 ILE CG2 C 13 17.501 0.2 . 1 . . . . 39 ILE CG2 . 15348 1 473 . 1 1 39 39 ILE N N 15 123.604 0.012 . 1 . . . . 39 ILE N . 15348 1 474 . 1 1 40 40 LEU H H 1 8.239 0.003 . 1 . . . . 40 LEU H . 15348 1 475 . 1 1 40 40 LEU HA H 1 4.259 0.006 . 1 . . . . 40 LEU HA . 15348 1 476 . 1 1 40 40 LEU HB2 H 1 1.152 0.002 . 2 . . . . 40 LEU HB2 . 15348 1 477 . 1 1 40 40 LEU HB3 H 1 1.781 0.05 . 2 . . . . 40 LEU HB3 . 15348 1 478 . 1 1 40 40 LEU HD11 H 1 0.744 0.014 . 1 . . . . 40 LEU HD11 . 15348 1 479 . 1 1 40 40 LEU HD12 H 1 0.744 0.014 . 1 . . . . 40 LEU HD12 . 15348 1 480 . 1 1 40 40 LEU HD13 H 1 0.744 0.014 . 1 . . . . 40 LEU HD13 . 15348 1 481 . 1 1 40 40 LEU HD21 H 1 0.744 0.014 . 1 . . . . 40 LEU HD21 . 15348 1 482 . 1 1 40 40 LEU HD22 H 1 0.744 0.014 . 1 . . . . 40 LEU HD22 . 15348 1 483 . 1 1 40 40 LEU HD23 H 1 0.744 0.014 . 1 . . . . 40 LEU HD23 . 15348 1 484 . 1 1 40 40 LEU HG H 1 1.037 0.002 . 1 . . . . 40 LEU HG . 15348 1 485 . 1 1 40 40 LEU C C 13 173.152 0.2 . 1 . . . . 40 LEU C . 15348 1 486 . 1 1 40 40 LEU CA C 13 55.305 0.2 . 1 . . . . 40 LEU CA . 15348 1 487 . 1 1 40 40 LEU CB C 13 43.113 0.050 . 1 . . . . 40 LEU CB . 15348 1 488 . 1 1 40 40 LEU CD1 C 13 26.594 0.054 . 1 . . . . 40 LEU CD1 . 15348 1 489 . 1 1 40 40 LEU CD2 C 13 26.594 0.054 . 1 . . . . 40 LEU CD2 . 15348 1 490 . 1 1 40 40 LEU N N 15 129.550 0.017 . 1 . . . . 40 LEU N . 15348 1 491 . 1 1 41 41 ASP H H 1 8.992 0.005 . 1 . . . . 41 ASP H . 15348 1 492 . 1 1 41 41 ASP HA H 1 4.798 0.012 . 1 . . . . 41 ASP HA . 15348 1 493 . 1 1 41 41 ASP HB2 H 1 2.761 0.012 . 2 . . . . 41 ASP HB2 . 15348 1 494 . 1 1 41 41 ASP HB3 H 1 3.212 0.004 . 2 . . . . 41 ASP HB3 . 15348 1 495 . 1 1 41 41 ASP C C 13 173.837 0.2 . 1 . . . . 41 ASP C . 15348 1 496 . 1 1 41 41 ASP CA C 13 52.077 0.047 . 1 . . . . 41 ASP CA . 15348 1 497 . 1 1 41 41 ASP CB C 13 39.454 0.2 . 1 . . . . 41 ASP CB . 15348 1 498 . 1 1 41 41 ASP N N 15 127.022 0.009 . 1 . . . . 41 ASP N . 15348 1 499 . 1 1 42 42 LEU H H 1 7.912 0.006 . 1 . . . . 42 LEU H . 15348 1 500 . 1 1 42 42 LEU HA H 1 3.970 0.015 . 1 . . . . 42 LEU HA . 15348 1 501 . 1 1 42 42 LEU HB2 H 1 1.650 0.011 . 2 . . . . 42 LEU HB2 . 15348 1 502 . 1 1 42 42 LEU HB3 H 1 1.965 0.009 . 2 . . . . 42 LEU HB3 . 15348 1 503 . 1 1 42 42 LEU HD11 H 1 0.894 0.024 . 1 . . . . 42 LEU HD11 . 15348 1 504 . 1 1 42 42 LEU HD12 H 1 0.894 0.024 . 1 . . . . 42 LEU HD12 . 15348 1 505 . 1 1 42 42 LEU HD13 H 1 0.894 0.024 . 1 . . . . 42 LEU HD13 . 15348 1 506 . 1 1 42 42 LEU HD21 H 1 0.894 0.024 . 1 . . . . 42 LEU HD21 . 15348 1 507 . 1 1 42 42 LEU HD22 H 1 0.894 0.024 . 1 . . . . 42 LEU HD22 . 15348 1 508 . 1 1 42 42 LEU HD23 H 1 0.894 0.024 . 1 . . . . 42 LEU HD23 . 15348 1 509 . 1 1 42 42 LEU HG H 1 1.072 0.008 . 1 . . . . 42 LEU HG . 15348 1 510 . 1 1 42 42 LEU C C 13 176.305 0.2 . 1 . . . . 42 LEU C . 15348 1 511 . 1 1 42 42 LEU CA C 13 58.128 0.2 . 1 . . . . 42 LEU CA . 15348 1 512 . 1 1 42 42 LEU CB C 13 43.043 0.2 . 1 . . . . 42 LEU CB . 15348 1 513 . 1 1 42 42 LEU CG C 13 26.980 0.2 . 1 . . . . 42 LEU CG . 15348 1 514 . 1 1 42 42 LEU N N 15 125.064 0.018 . 1 . . . . 42 LEU N . 15348 1 515 . 1 1 43 43 TYR H H 1 8.565 0.010 . 1 . . . . 43 TYR H . 15348 1 516 . 1 1 43 43 TYR HA H 1 3.728 0.010 . 1 . . . . 43 TYR HA . 15348 1 517 . 1 1 43 43 TYR HB2 H 1 3.099 0.013 . 1 . . . . 43 TYR HB2 . 15348 1 518 . 1 1 43 43 TYR HB3 H 1 3.099 0.013 . 1 . . . . 43 TYR HB3 . 15348 1 519 . 1 1 43 43 TYR HD1 H 1 6.822 0.022 . 3 . . . . 43 TYR HD1 . 15348 1 520 . 1 1 43 43 TYR HD2 H 1 6.822 0.022 . 3 . . . . 43 TYR HD2 . 15348 1 521 . 1 1 43 43 TYR HE1 H 1 6.690 0.05 . 3 . . . . 43 TYR HE1 . 15348 1 522 . 1 1 43 43 TYR HE2 H 1 6.690 0.05 . 3 . . . . 43 TYR HE2 . 15348 1 523 . 1 1 43 43 TYR C C 13 175.757 0.2 . 1 . . . . 43 TYR C . 15348 1 524 . 1 1 43 43 TYR CA C 13 61.774 0.172 . 1 . . . . 43 TYR CA . 15348 1 525 . 1 1 43 43 TYR CB C 13 38.235 0.050 . 1 . . . . 43 TYR CB . 15348 1 526 . 1 1 43 43 TYR CD1 C 13 133.065 0.017 . 3 . . . . 43 TYR CD1 . 15348 1 527 . 1 1 43 43 TYR CD2 C 13 133.065 0.017 . 3 . . . . 43 TYR CD2 . 15348 1 528 . 1 1 43 43 TYR N N 15 117.822 0.032 . 1 . . . . 43 TYR N . 15348 1 529 . 1 1 44 44 SER H H 1 8.115 0.008 . 1 . . . . 44 SER H . 15348 1 530 . 1 1 44 44 SER HA H 1 3.854 0.05 . 1 . . . . 44 SER HA . 15348 1 531 . 1 1 44 44 SER HB2 H 1 3.692 0.010 . 1 . . . . 44 SER HB2 . 15348 1 532 . 1 1 44 44 SER HB3 H 1 3.692 0.010 . 1 . . . . 44 SER HB3 . 15348 1 533 . 1 1 44 44 SER C C 13 174.080 0.2 . 1 . . . . 44 SER C . 15348 1 534 . 1 1 44 44 SER CA C 13 61.873 0.2 . 1 . . . . 44 SER CA . 15348 1 535 . 1 1 44 44 SER CB C 13 64.350 0.2 . 1 . . . . 44 SER CB . 15348 1 536 . 1 1 44 44 SER N N 15 116.835 0.022 . 1 . . . . 44 SER N . 15348 1 537 . 1 1 45 45 LEU H H 1 8.401 0.006 . 1 . . . . 45 LEU H . 15348 1 538 . 1 1 45 45 LEU HA H 1 4.102 0.005 . 1 . . . . 45 LEU HA . 15348 1 539 . 1 1 45 45 LEU HB2 H 1 1.648 0.017 . 2 . . . . 45 LEU HB2 . 15348 1 540 . 1 1 45 45 LEU HB3 H 1 2.324 0.014 . 2 . . . . 45 LEU HB3 . 15348 1 541 . 1 1 45 45 LEU HD11 H 1 1.185 0.021 . 1 . . . . 45 LEU HD11 . 15348 1 542 . 1 1 45 45 LEU HD12 H 1 1.185 0.021 . 1 . . . . 45 LEU HD12 . 15348 1 543 . 1 1 45 45 LEU HD13 H 1 1.185 0.021 . 1 . . . . 45 LEU HD13 . 15348 1 544 . 1 1 45 45 LEU HD21 H 1 1.185 0.021 . 1 . . . . 45 LEU HD21 . 15348 1 545 . 1 1 45 45 LEU HD22 H 1 1.185 0.021 . 1 . . . . 45 LEU HD22 . 15348 1 546 . 1 1 45 45 LEU HD23 H 1 1.185 0.021 . 1 . . . . 45 LEU HD23 . 15348 1 547 . 1 1 45 45 LEU HG H 1 1.926 0.013 . 1 . . . . 45 LEU HG . 15348 1 548 . 1 1 45 45 LEU C C 13 175.081 0.2 . 1 . . . . 45 LEU C . 15348 1 549 . 1 1 45 45 LEU CA C 13 58.896 0.043 . 1 . . . . 45 LEU CA . 15348 1 550 . 1 1 45 45 LEU CB C 13 41.741 0.087 . 1 . . . . 45 LEU CB . 15348 1 551 . 1 1 45 45 LEU CD1 C 13 24.012 0.001 . 1 . . . . 45 LEU CD1 . 15348 1 552 . 1 1 45 45 LEU CD2 C 13 24.012 0.001 . 1 . . . . 45 LEU CD2 . 15348 1 553 . 1 1 45 45 LEU N N 15 120.621 0.136 . 1 . . . . 45 LEU N . 15348 1 554 . 1 1 46 46 SER H H 1 8.110 0.007 . 1 . . . . 46 SER H . 15348 1 555 . 1 1 46 46 SER HA H 1 4.300 0.05 . 1 . . . . 46 SER HA . 15348 1 556 . 1 1 46 46 SER HB2 H 1 4.135 0.004 . 1 . . . . 46 SER HB2 . 15348 1 557 . 1 1 46 46 SER HB3 H 1 4.135 0.004 . 1 . . . . 46 SER HB3 . 15348 1 558 . 1 1 46 46 SER C C 13 175.019 0.2 . 1 . . . . 46 SER C . 15348 1 559 . 1 1 46 46 SER CA C 13 62.610 0.2 . 1 . . . . 46 SER CA . 15348 1 560 . 1 1 46 46 SER CB C 13 64.092 0.2 . 1 . . . . 46 SER CB . 15348 1 561 . 1 1 46 46 SER N N 15 112.826 0.052 . 1 . . . . 46 SER N . 15348 1 562 . 1 1 47 47 LYS H H 1 7.732 0.005 . 1 . . . . 47 LYS H . 15348 1 563 . 1 1 47 47 LYS HA H 1 3.900 0.020 . 1 . . . . 47 LYS HA . 15348 1 564 . 1 1 47 47 LYS HB2 H 1 1.479 0.006 . 2 . . . . 47 LYS HB2 . 15348 1 565 . 1 1 47 47 LYS HB3 H 1 1.657 0.005 . 2 . . . . 47 LYS HB3 . 15348 1 566 . 1 1 47 47 LYS HD2 H 1 1.466 0.009 . 1 . . . . 47 LYS HD2 . 15348 1 567 . 1 1 47 47 LYS HD3 H 1 1.466 0.009 . 1 . . . . 47 LYS HD3 . 15348 1 568 . 1 1 47 47 LYS HE2 H 1 2.790 0.05 . 2 . . . . 47 LYS HE2 . 15348 1 569 . 1 1 47 47 LYS HE3 H 1 2.923 0.010 . 2 . . . . 47 LYS HE3 . 15348 1 570 . 1 1 47 47 LYS HG2 H 1 1.095 0.012 . 1 . . . . 47 LYS HG2 . 15348 1 571 . 1 1 47 47 LYS HG3 H 1 1.095 0.012 . 1 . . . . 47 LYS HG3 . 15348 1 572 . 1 1 47 47 LYS C C 13 177.441 0.2 . 1 . . . . 47 LYS C . 15348 1 573 . 1 1 47 47 LYS CA C 13 58.575 0.008 . 1 . . . . 47 LYS CA . 15348 1 574 . 1 1 47 47 LYS CB C 13 32.351 0.052 . 1 . . . . 47 LYS CB . 15348 1 575 . 1 1 47 47 LYS CE C 13 41.880 0.2 . 1 . . . . 47 LYS CE . 15348 1 576 . 1 1 47 47 LYS N N 15 121.210 0.036 . 1 . . . . 47 LYS N . 15348 1 577 . 1 1 48 48 ILE H H 1 8.672 0.009 . 1 . . . . 48 ILE H . 15348 1 578 . 1 1 48 48 ILE HA H 1 3.628 0.020 . 1 . . . . 48 ILE HA . 15348 1 579 . 1 1 48 48 ILE HB H 1 1.937 0.014 . 1 . . . . 48 ILE HB . 15348 1 580 . 1 1 48 48 ILE HD11 H 1 0.750 0.014 . 1 . . . . 48 ILE HD11 . 15348 1 581 . 1 1 48 48 ILE HD12 H 1 0.750 0.014 . 1 . . . . 48 ILE HD12 . 15348 1 582 . 1 1 48 48 ILE HD13 H 1 0.750 0.014 . 1 . . . . 48 ILE HD13 . 15348 1 583 . 1 1 48 48 ILE HG12 H 1 1.148 0.05 . 2 . . . . 48 ILE HG12 . 15348 1 584 . 1 1 48 48 ILE HG13 H 1 1.591 0.009 . 2 . . . . 48 ILE HG13 . 15348 1 585 . 1 1 48 48 ILE HG21 H 1 0.916 0.016 . 1 . . . . 48 ILE HG21 . 15348 1 586 . 1 1 48 48 ILE HG22 H 1 0.916 0.016 . 1 . . . . 48 ILE HG22 . 15348 1 587 . 1 1 48 48 ILE HG23 H 1 0.916 0.016 . 1 . . . . 48 ILE HG23 . 15348 1 588 . 1 1 48 48 ILE C C 13 175.861 0.2 . 1 . . . . 48 ILE C . 15348 1 589 . 1 1 48 48 ILE CA C 13 64.188 0.081 . 1 . . . . 48 ILE CA . 15348 1 590 . 1 1 48 48 ILE CB C 13 37.954 0.2 . 1 . . . . 48 ILE CB . 15348 1 591 . 1 1 48 48 ILE CD1 C 13 13.091 0.112 . 1 . . . . 48 ILE CD1 . 15348 1 592 . 1 1 48 48 ILE CG2 C 13 19.787 0.074 . 1 . . . . 48 ILE CG2 . 15348 1 593 . 1 1 48 48 ILE N N 15 120.810 0.033 . 1 . . . . 48 ILE N . 15348 1 594 . 1 1 49 49 VAL H H 1 8.030 0.008 . 1 . . . . 49 VAL H . 15348 1 595 . 1 1 49 49 VAL HA H 1 3.195 0.014 . 1 . . . . 49 VAL HA . 15348 1 596 . 1 1 49 49 VAL HB H 1 2.101 0.009 . 1 . . . . 49 VAL HB . 15348 1 597 . 1 1 49 49 VAL HG11 H 1 0.575 0.016 . 2 . . . . 49 VAL HG11 . 15348 1 598 . 1 1 49 49 VAL HG12 H 1 0.575 0.016 . 2 . . . . 49 VAL HG12 . 15348 1 599 . 1 1 49 49 VAL HG13 H 1 0.575 0.016 . 2 . . . . 49 VAL HG13 . 15348 1 600 . 1 1 49 49 VAL HG21 H 1 0.715 0.012 . 2 . . . . 49 VAL HG21 . 15348 1 601 . 1 1 49 49 VAL HG22 H 1 0.715 0.012 . 2 . . . . 49 VAL HG22 . 15348 1 602 . 1 1 49 49 VAL HG23 H 1 0.715 0.012 . 2 . . . . 49 VAL HG23 . 15348 1 603 . 1 1 49 49 VAL C C 13 176.513 0.2 . 1 . . . . 49 VAL C . 15348 1 604 . 1 1 49 49 VAL CA C 13 66.760 0.084 . 1 . . . . 49 VAL CA . 15348 1 605 . 1 1 49 49 VAL CB C 13 30.935 0.2 . 1 . . . . 49 VAL CB . 15348 1 606 . 1 1 49 49 VAL CG1 C 13 19.973 0.020 . 2 . . . . 49 VAL CG1 . 15348 1 607 . 1 1 49 49 VAL CG2 C 13 24.500 0.024 . 2 . . . . 49 VAL CG2 . 15348 1 608 . 1 1 49 49 VAL N N 15 119.350 0.066 . 1 . . . . 49 VAL N . 15348 1 609 . 1 1 50 50 VAL H H 1 7.336 0.019 . 1 . . . . 50 VAL H . 15348 1 610 . 1 1 50 50 VAL HA H 1 3.497 0.005 . 1 . . . . 50 VAL HA . 15348 1 611 . 1 1 50 50 VAL HB H 1 2.216 0.006 . 1 . . . . 50 VAL HB . 15348 1 612 . 1 1 50 50 VAL HG11 H 1 1.205 0.05 . 2 . . . . 50 VAL HG11 . 15348 1 613 . 1 1 50 50 VAL HG12 H 1 1.205 0.05 . 2 . . . . 50 VAL HG12 . 15348 1 614 . 1 1 50 50 VAL HG13 H 1 1.205 0.05 . 2 . . . . 50 VAL HG13 . 15348 1 615 . 1 1 50 50 VAL HG21 H 1 0.981 0.009 . 2 . . . . 50 VAL HG21 . 15348 1 616 . 1 1 50 50 VAL HG22 H 1 0.981 0.009 . 2 . . . . 50 VAL HG22 . 15348 1 617 . 1 1 50 50 VAL HG23 H 1 0.981 0.009 . 2 . . . . 50 VAL HG23 . 15348 1 618 . 1 1 50 50 VAL C C 13 178.745 0.008 . 1 . . . . 50 VAL C . 15348 1 619 . 1 1 50 50 VAL CA C 13 67.384 0.036 . 1 . . . . 50 VAL CA . 15348 1 620 . 1 1 50 50 VAL CB C 13 31.832 0.087 . 1 . . . . 50 VAL CB . 15348 1 621 . 1 1 50 50 VAL N N 15 118.610 0.107 . 1 . . . . 50 VAL N . 15348 1 622 . 1 1 51 51 GLU H H 1 8.318 0.011 . 1 . . . . 51 GLU H . 15348 1 623 . 1 1 51 51 GLU HA H 1 3.953 0.019 . 1 . . . . 51 GLU HA . 15348 1 624 . 1 1 51 51 GLU HB2 H 1 2.114 0.012 . 1 . . . . 51 GLU HB2 . 15348 1 625 . 1 1 51 51 GLU HB3 H 1 2.114 0.012 . 1 . . . . 51 GLU HB3 . 15348 1 626 . 1 1 51 51 GLU HG2 H 1 2.575 0.012 . 1 . . . . 51 GLU HG2 . 15348 1 627 . 1 1 51 51 GLU HG3 H 1 2.575 0.012 . 1 . . . . 51 GLU HG3 . 15348 1 628 . 1 1 51 51 GLU C C 13 177.281 0.2 . 1 . . . . 51 GLU C . 15348 1 629 . 1 1 51 51 GLU CA C 13 59.668 0.2 . 1 . . . . 51 GLU CA . 15348 1 630 . 1 1 51 51 GLU CB C 13 30.131 0.2 . 1 . . . . 51 GLU CB . 15348 1 631 . 1 1 51 51 GLU CG C 13 37.231 0.018 . 1 . . . . 51 GLU CG . 15348 1 632 . 1 1 51 51 GLU N N 15 122.096 0.020 . 1 . . . . 51 GLU N . 15348 1 633 . 1 1 52 52 GLU H H 1 8.065 0.006 . 1 . . . . 52 GLU H . 15348 1 634 . 1 1 52 52 GLU HA H 1 4.229 0.012 . 1 . . . . 52 GLU HA . 15348 1 635 . 1 1 52 52 GLU HB2 H 1 2.096 0.011 . 1 . . . . 52 GLU HB2 . 15348 1 636 . 1 1 52 52 GLU HB3 H 1 2.096 0.014 . 1 . . . . 52 GLU HB3 . 15348 1 637 . 1 1 52 52 GLU HG2 H 1 1.766 0.006 . 2 . . . . 52 GLU HG2 . 15348 1 638 . 1 1 52 52 GLU HG3 H 1 2.352 0.05 . 2 . . . . 52 GLU HG3 . 15348 1 639 . 1 1 52 52 GLU C C 13 173.534 0.2 . 1 . . . . 52 GLU C . 15348 1 640 . 1 1 52 52 GLU CA C 13 55.547 0.053 . 1 . . . . 52 GLU CA . 15348 1 641 . 1 1 52 52 GLU CB C 13 28.716 0.2 . 1 . . . . 52 GLU CB . 15348 1 642 . 1 1 52 52 GLU CG C 13 36.148 0.103 . 1 . . . . 52 GLU CG . 15348 1 643 . 1 1 52 52 GLU N N 15 114.992 0.055 . 1 . . . . 52 GLU N . 15348 1 644 . 1 1 53 53 GLY H H 1 7.459 0.012 . 1 . . . . 53 GLY H . 15348 1 645 . 1 1 53 53 GLY HA2 H 1 3.630 0.05 . 1 . . . . 53 GLY HA2 . 15348 1 646 . 1 1 53 53 GLY HA3 H 1 3.630 0.021 . 1 . . . . 53 GLY HA3 . 15348 1 647 . 1 1 53 53 GLY C C 13 173.214 0.2 . 1 . . . . 53 GLY C . 15348 1 648 . 1 1 53 53 GLY CA C 13 44.962 0.045 . 1 . . . . 53 GLY CA . 15348 1 649 . 1 1 53 53 GLY N N 15 104.909 0.012 . 1 . . . . 53 GLY N . 15348 1 650 . 1 1 54 54 GLY H H 1 8.533 0.005 . 1 . . . . 54 GLY H . 15348 1 651 . 1 1 54 54 GLY HA2 H 1 3.548 0.05 . 2 . . . . 54 GLY HA2 . 15348 1 652 . 1 1 54 54 GLY HA3 H 1 4.521 0.012 . 2 . . . . 54 GLY HA3 . 15348 1 653 . 1 1 54 54 GLY C C 13 169.966 0.2 . 1 . . . . 54 GLY C . 15348 1 654 . 1 1 54 54 GLY CA C 13 43.988 0.079 . 1 . . . . 54 GLY CA . 15348 1 655 . 1 1 54 54 GLY N N 15 110.587 0.013 . 1 . . . . 54 GLY N . 15348 1 656 . 1 1 55 55 TYR H H 1 8.704 0.014 . 1 . . . . 55 TYR H . 15348 1 657 . 1 1 55 55 TYR HA H 1 3.618 0.013 . 1 . . . . 55 TYR HA . 15348 1 658 . 1 1 55 55 TYR HB2 H 1 3.188 0.016 . 1 . . . . 55 TYR HB2 . 15348 1 659 . 1 1 55 55 TYR HB3 H 1 3.188 0.014 . 1 . . . . 55 TYR HB3 . 15348 1 660 . 1 1 55 55 TYR HD1 H 1 7.001 0.026 . 3 . . . . 55 TYR HD1 . 15348 1 661 . 1 1 55 55 TYR HD2 H 1 7.001 0.026 . 3 . . . . 55 TYR HD2 . 15348 1 662 . 1 1 55 55 TYR HE1 H 1 6.827 0.006 . 3 . . . . 55 TYR HE1 . 15348 1 663 . 1 1 55 55 TYR HE2 H 1 6.827 0.006 . 3 . . . . 55 TYR HE2 . 15348 1 664 . 1 1 55 55 TYR C C 13 174.807 0.2 . 1 . . . . 55 TYR C . 15348 1 665 . 1 1 55 55 TYR CA C 13 62.540 0.100 . 1 . . . . 55 TYR CA . 15348 1 666 . 1 1 55 55 TYR CB C 13 39.669 0.014 . 1 . . . . 55 TYR CB . 15348 1 667 . 1 1 55 55 TYR CD1 C 13 131.910 0.2 . 3 . . . . 55 TYR CD1 . 15348 1 668 . 1 1 55 55 TYR CD2 C 13 131.910 0.2 . 3 . . . . 55 TYR CD2 . 15348 1 669 . 1 1 55 55 TYR N N 15 119.168 0.013 . 1 . . . . 55 TYR N . 15348 1 670 . 1 1 56 56 GLU H H 1 9.006 0.004 . 1 . . . . 56 GLU H . 15348 1 671 . 1 1 56 56 GLU HA H 1 3.638 0.014 . 1 . . . . 56 GLU HA . 15348 1 672 . 1 1 56 56 GLU HB2 H 1 2.091 0.021 . 1 . . . . 56 GLU HB2 . 15348 1 673 . 1 1 56 56 GLU HB3 H 1 2.091 0.021 . 1 . . . . 56 GLU HB3 . 15348 1 674 . 1 1 56 56 GLU HG2 H 1 2.499 0.010 . 1 . . . . 56 GLU HG2 . 15348 1 675 . 1 1 56 56 GLU HG3 H 1 2.499 0.010 . 1 . . . . 56 GLU HG3 . 15348 1 676 . 1 1 56 56 GLU C C 13 177.400 0.2 . 1 . . . . 56 GLU C . 15348 1 677 . 1 1 56 56 GLU CA C 13 60.530 0.023 . 1 . . . . 56 GLU CA . 15348 1 678 . 1 1 56 56 GLU CB C 13 29.168 0.138 . 1 . . . . 56 GLU CB . 15348 1 679 . 1 1 56 56 GLU N N 15 118.969 0.077 . 1 . . . . 56 GLU N . 15348 1 680 . 1 1 57 57 ALA H H 1 8.235 0.008 . 1 . . . . 57 ALA H . 15348 1 681 . 1 1 57 57 ALA HA H 1 3.980 0.020 . 1 . . . . 57 ALA HA . 15348 1 682 . 1 1 57 57 ALA HB1 H 1 1.304 0.023 . 1 . . . . 57 ALA HB1 . 15348 1 683 . 1 1 57 57 ALA HB2 H 1 1.304 0.023 . 1 . . . . 57 ALA HB2 . 15348 1 684 . 1 1 57 57 ALA HB3 H 1 1.304 0.023 . 1 . . . . 57 ALA HB3 . 15348 1 685 . 1 1 57 57 ALA C C 13 177.678 0.2 . 1 . . . . 57 ALA C . 15348 1 686 . 1 1 57 57 ALA CA C 13 54.910 0.146 . 1 . . . . 57 ALA CA . 15348 1 687 . 1 1 57 57 ALA CB C 13 18.122 0.019 . 1 . . . . 57 ALA CB . 15348 1 688 . 1 1 57 57 ALA N N 15 122.860 0.060 . 1 . . . . 57 ALA N . 15348 1 689 . 1 1 58 58 ILE H H 1 7.831 0.011 . 1 . . . . 58 ILE H . 15348 1 690 . 1 1 58 58 ILE HA H 1 3.189 0.014 . 1 . . . . 58 ILE HA . 15348 1 691 . 1 1 58 58 ILE HB H 1 0.845 0.013 . 1 . . . . 58 ILE HB . 15348 1 692 . 1 1 58 58 ILE HD11 H 1 0.135 0.009 . 1 . . . . 58 ILE HD11 . 15348 1 693 . 1 1 58 58 ILE HD12 H 1 0.135 0.009 . 1 . . . . 58 ILE HD12 . 15348 1 694 . 1 1 58 58 ILE HD13 H 1 0.135 0.009 . 1 . . . . 58 ILE HD13 . 15348 1 695 . 1 1 58 58 ILE HG12 H 1 1.410 0.05 . 1 . . . . 58 ILE HG12 . 15348 1 696 . 1 1 58 58 ILE HG13 H 1 1.410 0.05 . 1 . . . . 58 ILE HG13 . 15348 1 697 . 1 1 58 58 ILE HG21 H 1 -0.974 0.013 . 1 . . . . 58 ILE HG21 . 15348 1 698 . 1 1 58 58 ILE HG22 H 1 -0.974 0.013 . 1 . . . . 58 ILE HG22 . 15348 1 699 . 1 1 58 58 ILE HG23 H 1 -0.974 0.013 . 1 . . . . 58 ILE HG23 . 15348 1 700 . 1 1 58 58 ILE C C 13 177.818 0.2 . 1 . . . . 58 ILE C . 15348 1 701 . 1 1 58 58 ILE CA C 13 65.074 0.070 . 1 . . . . 58 ILE CA . 15348 1 702 . 1 1 58 58 ILE CB C 13 38.178 0.069 . 1 . . . . 58 ILE CB . 15348 1 703 . 1 1 58 58 ILE CD1 C 13 16.241 0.016 . 1 . . . . 58 ILE CD1 . 15348 1 704 . 1 1 58 58 ILE CG1 C 13 28.544 0.2 . 1 . . . . 58 ILE CG1 . 15348 1 705 . 1 1 58 58 ILE CG2 C 13 14.897 0.008 . 1 . . . . 58 ILE CG2 . 15348 1 706 . 1 1 58 58 ILE N N 15 117.418 0.042 . 1 . . . . 58 ILE N . 15348 1 707 . 1 1 59 59 CYS H H 1 7.760 0.013 . 1 . . . . 59 CYS H . 15348 1 708 . 1 1 59 59 CYS HA H 1 4.203 0.034 . 1 . . . . 59 CYS HA . 15348 1 709 . 1 1 59 59 CYS HB2 H 1 2.943 0.024 . 1 . . . . 59 CYS HB2 . 15348 1 710 . 1 1 59 59 CYS HB3 H 1 2.943 0.024 . 1 . . . . 59 CYS HB3 . 15348 1 711 . 1 1 59 59 CYS C C 13 176.357 0.2 . 1 . . . . 59 CYS C . 15348 1 712 . 1 1 59 59 CYS CA C 13 63.760 0.024 . 1 . . . . 59 CYS CA . 15348 1 713 . 1 1 59 59 CYS CB C 13 27.638 0.112 . 1 . . . . 59 CYS CB . 15348 1 714 . 1 1 59 59 CYS N N 15 115.302 0.027 . 1 . . . . 59 CYS N . 15348 1 715 . 1 1 60 60 LYS H H 1 8.350 0.014 . 1 . . . . 60 LYS H . 15348 1 716 . 1 1 60 60 LYS HA H 1 3.972 0.011 . 1 . . . . 60 LYS HA . 15348 1 717 . 1 1 60 60 LYS HB2 H 1 1.867 0.017 . 1 . . . . 60 LYS HB2 . 15348 1 718 . 1 1 60 60 LYS HB3 H 1 1.867 0.017 . 1 . . . . 60 LYS HB3 . 15348 1 719 . 1 1 60 60 LYS HD2 H 1 1.677 0.05 . 1 . . . . 60 LYS HD2 . 15348 1 720 . 1 1 60 60 LYS HD3 H 1 1.677 0.05 . 1 . . . . 60 LYS HD3 . 15348 1 721 . 1 1 60 60 LYS HE2 H 1 2.960 0.012 . 1 . . . . 60 LYS HE2 . 15348 1 722 . 1 1 60 60 LYS HE3 H 1 2.960 0.012 . 1 . . . . 60 LYS HE3 . 15348 1 723 . 1 1 60 60 LYS HG2 H 1 1.462 0.05 . 1 . . . . 60 LYS HG2 . 15348 1 724 . 1 1 60 60 LYS HG3 H 1 1.462 0.05 . 1 . . . . 60 LYS HG3 . 15348 1 725 . 1 1 60 60 LYS C C 13 176.373 0.2 . 1 . . . . 60 LYS C . 15348 1 726 . 1 1 60 60 LYS CA C 13 59.796 0.129 . 1 . . . . 60 LYS CA . 15348 1 727 . 1 1 60 60 LYS CB C 13 32.560 0.110 . 1 . . . . 60 LYS CB . 15348 1 728 . 1 1 60 60 LYS CE C 13 41.919 0.2 . 1 . . . . 60 LYS CE . 15348 1 729 . 1 1 60 60 LYS N N 15 122.343 0.071 . 1 . . . . 60 LYS N . 15348 1 730 . 1 1 61 61 ASP H H 1 8.157 0.016 . 1 . . . . 61 ASP H . 15348 1 731 . 1 1 61 61 ASP HA H 1 4.616 0.008 . 1 . . . . 61 ASP HA . 15348 1 732 . 1 1 61 61 ASP HB2 H 1 2.477 0.011 . 2 . . . . 61 ASP HB2 . 15348 1 733 . 1 1 61 61 ASP HB3 H 1 2.735 0.017 . 2 . . . . 61 ASP HB3 . 15348 1 734 . 1 1 61 61 ASP C C 13 173.246 0.2 . 1 . . . . 61 ASP C . 15348 1 735 . 1 1 61 61 ASP CA C 13 54.272 0.2 . 1 . . . . 61 ASP CA . 15348 1 736 . 1 1 61 61 ASP CB C 13 41.023 0.039 . 1 . . . . 61 ASP CB . 15348 1 737 . 1 1 61 61 ASP N N 15 116.173 0.047 . 1 . . . . 61 ASP N . 15348 1 738 . 1 1 62 62 ARG H H 1 7.655 0.007 . 1 . . . . 62 ARG H . 15348 1 739 . 1 1 62 62 ARG HA H 1 4.149 0.010 . 1 . . . . 62 ARG HA . 15348 1 740 . 1 1 62 62 ARG HB2 H 1 1.966 0.007 . 2 . . . . 62 ARG HB2 . 15348 1 741 . 1 1 62 62 ARG HB3 H 1 2.219 0.013 . 2 . . . . 62 ARG HB3 . 15348 1 742 . 1 1 62 62 ARG HD2 H 1 3.293 0.020 . 1 . . . . 62 ARG HD2 . 15348 1 743 . 1 1 62 62 ARG HD3 H 1 3.293 0.020 . 1 . . . . 62 ARG HD3 . 15348 1 744 . 1 1 62 62 ARG HG2 H 1 1.698 0.05 . 1 . . . . 62 ARG HG2 . 15348 1 745 . 1 1 62 62 ARG HG3 H 1 1.698 0.05 . 1 . . . . 62 ARG HG3 . 15348 1 746 . 1 1 62 62 ARG C C 13 175.891 0.2 . 1 . . . . 62 ARG C . 15348 1 747 . 1 1 62 62 ARG CA C 13 57.381 0.2 . 1 . . . . 62 ARG CA . 15348 1 748 . 1 1 62 62 ARG CB C 13 26.538 0.053 . 1 . . . . 62 ARG CB . 15348 1 749 . 1 1 62 62 ARG CD C 13 43.812 0.072 . 1 . . . . 62 ARG CD . 15348 1 750 . 1 1 62 62 ARG N N 15 117.213 0.014 . 1 . . . . 62 ARG N . 15348 1 751 . 1 1 63 63 ARG H H 1 8.302 0.013 . 1 . . . . 63 ARG H . 15348 1 752 . 1 1 63 63 ARG HA H 1 4.240 0.019 . 1 . . . . 63 ARG HA . 15348 1 753 . 1 1 63 63 ARG HB2 H 1 2.069 0.007 . 1 . . . . 63 ARG HB2 . 15348 1 754 . 1 1 63 63 ARG HB3 H 1 2.069 0.007 . 1 . . . . 63 ARG HB3 . 15348 1 755 . 1 1 63 63 ARG HD2 H 1 2.295 0.013 . 1 . . . . 63 ARG HD2 . 15348 1 756 . 1 1 63 63 ARG HD3 H 1 2.295 0.013 . 1 . . . . 63 ARG HD3 . 15348 1 757 . 1 1 63 63 ARG C C 13 175.775 0.2 . 1 . . . . 63 ARG C . 15348 1 758 . 1 1 63 63 ARG CA C 13 55.718 0.007 . 1 . . . . 63 ARG CA . 15348 1 759 . 1 1 63 63 ARG CD C 13 36.359 0.2 . 1 . . . . 63 ARG CD . 15348 1 760 . 1 1 63 63 ARG N N 15 116.292 0.068 . 1 . . . . 63 ARG N . 15348 1 761 . 1 1 64 64 TRP H H 1 8.161 0.013 . 1 . . . . 64 TRP H . 15348 1 762 . 1 1 64 64 TRP HA H 1 3.836 0.010 . 1 . . . . 64 TRP HA . 15348 1 763 . 1 1 64 64 TRP HB2 H 1 3.184 0.023 . 1 . . . . 64 TRP HB2 . 15348 1 764 . 1 1 64 64 TRP HB3 H 1 3.184 0.004 . 1 . . . . 64 TRP HB3 . 15348 1 765 . 1 1 64 64 TRP HD1 H 1 7.450 0.004 . 1 . . . . 64 TRP HD1 . 15348 1 766 . 1 1 64 64 TRP HE1 H 1 9.446 0.002 . 1 . . . . 64 TRP HE1 . 15348 1 767 . 1 1 64 64 TRP HE3 H 1 7.411 0.013 . 1 . . . . 64 TRP HE3 . 15348 1 768 . 1 1 64 64 TRP HH2 H 1 6.603 0.010 . 1 . . . . 64 TRP HH2 . 15348 1 769 . 1 1 64 64 TRP HZ2 H 1 7.276 0.013 . 1 . . . . 64 TRP HZ2 . 15348 1 770 . 1 1 64 64 TRP HZ3 H 1 6.647 0.003 . 1 . . . . 64 TRP HZ3 . 15348 1 771 . 1 1 64 64 TRP C C 13 176.862 0.2 . 1 . . . . 64 TRP C . 15348 1 772 . 1 1 64 64 TRP CA C 13 62.036 0.016 . 1 . . . . 64 TRP CA . 15348 1 773 . 1 1 64 64 TRP CB C 13 27.028 0.126 . 1 . . . . 64 TRP CB . 15348 1 774 . 1 1 64 64 TRP CD1 C 13 125.767 0.021 . 1 . . . . 64 TRP CD1 . 15348 1 775 . 1 1 64 64 TRP CE3 C 13 120.260 0.059 . 1 . . . . 64 TRP CE3 . 15348 1 776 . 1 1 64 64 TRP CH2 C 13 123.638 0.012 . 1 . . . . 64 TRP CH2 . 15348 1 777 . 1 1 64 64 TRP CZ2 C 13 113.354 0.042 . 1 . . . . 64 TRP CZ2 . 15348 1 778 . 1 1 64 64 TRP CZ3 C 13 121.140 0.011 . 1 . . . . 64 TRP CZ3 . 15348 1 779 . 1 1 64 64 TRP N N 15 121.486 0.154 . 1 . . . . 64 TRP N . 15348 1 780 . 1 1 64 64 TRP NE1 N 15 128.839 0.018 . 1 . . . . 64 TRP NE1 . 15348 1 781 . 1 1 65 65 ALA H H 1 8.954 0.008 . 1 . . . . 65 ALA H . 15348 1 782 . 1 1 65 65 ALA HA H 1 4.290 0.05 . 1 . . . . 65 ALA HA . 15348 1 783 . 1 1 65 65 ALA HB1 H 1 1.532 0.016 . 1 . . . . 65 ALA HB1 . 15348 1 784 . 1 1 65 65 ALA HB2 H 1 1.532 0.016 . 1 . . . . 65 ALA HB2 . 15348 1 785 . 1 1 65 65 ALA HB3 H 1 1.532 0.016 . 1 . . . . 65 ALA HB3 . 15348 1 786 . 1 1 65 65 ALA C C 13 178.986 0.2 . 1 . . . . 65 ALA C . 15348 1 787 . 1 1 65 65 ALA CA C 13 55.314 0.2 . 1 . . . . 65 ALA CA . 15348 1 788 . 1 1 65 65 ALA CB C 13 18.119 0.069 . 1 . . . . 65 ALA CB . 15348 1 789 . 1 1 65 65 ALA N N 15 121.559 0.020 . 1 . . . . 65 ALA N . 15348 1 790 . 1 1 66 66 ARG H H 1 7.473 0.010 . 1 . . . . 66 ARG H . 15348 1 791 . 1 1 66 66 ARG HA H 1 4.221 0.011 . 1 . . . . 66 ARG HA . 15348 1 792 . 1 1 66 66 ARG HB2 H 1 2.012 0.047 . 1 . . . . 66 ARG HB2 . 15348 1 793 . 1 1 66 66 ARG HB3 H 1 2.012 0.047 . 1 . . . . 66 ARG HB3 . 15348 1 794 . 1 1 66 66 ARG HD2 H 1 3.091 0.05 . 2 . . . . 66 ARG HD2 . 15348 1 795 . 1 1 66 66 ARG HD3 H 1 3.363 0.05 . 2 . . . . 66 ARG HD3 . 15348 1 796 . 1 1 66 66 ARG HG2 H 1 1.737 0.05 . 1 . . . . 66 ARG HG2 . 15348 1 797 . 1 1 66 66 ARG HG3 H 1 1.737 0.05 . 1 . . . . 66 ARG HG3 . 15348 1 798 . 1 1 66 66 ARG C C 13 176.670 0.2 . 1 . . . . 66 ARG C . 15348 1 799 . 1 1 66 66 ARG CA C 13 57.871 0.078 . 1 . . . . 66 ARG CA . 15348 1 800 . 1 1 66 66 ARG CB C 13 29.097 0.127 . 1 . . . . 66 ARG CB . 15348 1 801 . 1 1 66 66 ARG N N 15 119.915 0.060 . 1 . . . . 66 ARG N . 15348 1 802 . 1 1 67 67 VAL H H 1 7.134 0.005 . 1 . . . . 67 VAL H . 15348 1 803 . 1 1 67 67 VAL HA H 1 3.304 0.015 . 1 . . . . 67 VAL HA . 15348 1 804 . 1 1 67 67 VAL HB H 1 2.570 0.020 . 1 . . . . 67 VAL HB . 15348 1 805 . 1 1 67 67 VAL HG11 H 1 0.536 0.011 . 2 . . . . 67 VAL HG11 . 15348 1 806 . 1 1 67 67 VAL HG12 H 1 0.536 0.011 . 2 . . . . 67 VAL HG12 . 15348 1 807 . 1 1 67 67 VAL HG13 H 1 0.536 0.011 . 2 . . . . 67 VAL HG13 . 15348 1 808 . 1 1 67 67 VAL HG21 H 1 0.968 0.020 . 2 . . . . 67 VAL HG21 . 15348 1 809 . 1 1 67 67 VAL HG22 H 1 0.968 0.020 . 2 . . . . 67 VAL HG22 . 15348 1 810 . 1 1 67 67 VAL HG23 H 1 0.968 0.020 . 2 . . . . 67 VAL HG23 . 15348 1 811 . 1 1 67 67 VAL C C 13 175.341 0.2 . 1 . . . . 67 VAL C . 15348 1 812 . 1 1 67 67 VAL CA C 13 66.722 0.094 . 1 . . . . 67 VAL CA . 15348 1 813 . 1 1 67 67 VAL CB C 13 31.108 0.037 . 1 . . . . 67 VAL CB . 15348 1 814 . 1 1 67 67 VAL CG1 C 13 22.222 0.085 . 2 . . . . 67 VAL CG1 . 15348 1 815 . 1 1 67 67 VAL CG2 C 13 21.086 0.044 . 2 . . . . 67 VAL CG2 . 15348 1 816 . 1 1 67 67 VAL N N 15 119.970 0.013 . 1 . . . . 67 VAL N . 15348 1 817 . 1 1 68 68 ALA H H 1 7.745 0.004 . 1 . . . . 68 ALA H . 15348 1 818 . 1 1 68 68 ALA HA H 1 4.076 0.025 . 1 . . . . 68 ALA HA . 15348 1 819 . 1 1 68 68 ALA HB1 H 1 1.446 0.010 . 1 . . . . 68 ALA HB1 . 15348 1 820 . 1 1 68 68 ALA HB2 H 1 1.446 0.010 . 1 . . . . 68 ALA HB2 . 15348 1 821 . 1 1 68 68 ALA HB3 H 1 1.446 0.010 . 1 . . . . 68 ALA HB3 . 15348 1 822 . 1 1 68 68 ALA C C 13 177.358 0.2 . 1 . . . . 68 ALA C . 15348 1 823 . 1 1 68 68 ALA CA C 13 55.607 0.061 . 1 . . . . 68 ALA CA . 15348 1 824 . 1 1 68 68 ALA CB C 13 18.061 0.025 . 1 . . . . 68 ALA CB . 15348 1 825 . 1 1 68 68 ALA N N 15 118.239 0.019 . 1 . . . . 68 ALA N . 15348 1 826 . 1 1 69 69 GLN H H 1 7.979 0.004 . 1 . . . . 69 GLN H . 15348 1 827 . 1 1 69 69 GLN HA H 1 4.310 0.031 . 1 . . . . 69 GLN HA . 15348 1 828 . 1 1 69 69 GLN HB2 H 1 2.293 0.05 . 1 . . . . 69 GLN HB2 . 15348 1 829 . 1 1 69 69 GLN HB3 H 1 2.293 0.05 . 1 . . . . 69 GLN HB3 . 15348 1 830 . 1 1 69 69 GLN HE21 H 1 7.540 0.05 . 1 . . . . 69 GLN HE21 . 15348 1 831 . 1 1 69 69 GLN HE22 H 1 6.860 0.05 . 1 . . . . 69 GLN HE22 . 15348 1 832 . 1 1 69 69 GLN HG2 H 1 2.577 0.015 . 1 . . . . 69 GLN HG2 . 15348 1 833 . 1 1 69 69 GLN HG3 H 1 2.577 0.007 . 1 . . . . 69 GLN HG3 . 15348 1 834 . 1 1 69 69 GLN C C 13 179.370 0.2 . 1 . . . . 69 GLN C . 15348 1 835 . 1 1 69 69 GLN CA C 13 59.307 0.005 . 1 . . . . 69 GLN CA . 15348 1 836 . 1 1 69 69 GLN CB C 13 29.257 0.2 . 1 . . . . 69 GLN CB . 15348 1 837 . 1 1 69 69 GLN CG C 13 34.035 0.051 . 1 . . . . 69 GLN CG . 15348 1 838 . 1 1 69 69 GLN N N 15 118.484 0.033 . 1 . . . . 69 GLN N . 15348 1 839 . 1 1 69 69 GLN NE2 N 15 112.624 0.006 . 1 . . . . 69 GLN NE2 . 15348 1 840 . 1 1 70 70 ARG H H 1 8.374 0.010 . 1 . . . . 70 ARG H . 15348 1 841 . 1 1 70 70 ARG HA H 1 4.148 0.05 . 1 . . . . 70 ARG HA . 15348 1 842 . 1 1 70 70 ARG HB2 H 1 1.989 0.010 . 1 . . . . 70 ARG HB2 . 15348 1 843 . 1 1 70 70 ARG HB3 H 1 1.989 0.010 . 1 . . . . 70 ARG HB3 . 15348 1 844 . 1 1 70 70 ARG HD2 H 1 2.963 0.005 . 2 . . . . 70 ARG HD2 . 15348 1 845 . 1 1 70 70 ARG HD3 H 1 3.232 0.011 . 2 . . . . 70 ARG HD3 . 15348 1 846 . 1 1 70 70 ARG HG2 H 1 1.644 0.007 . 1 . . . . 70 ARG HG2 . 15348 1 847 . 1 1 70 70 ARG HG3 H 1 1.644 0.007 . 1 . . . . 70 ARG HG3 . 15348 1 848 . 1 1 70 70 ARG C C 13 175.850 0.2 . 1 . . . . 70 ARG C . 15348 1 849 . 1 1 70 70 ARG CA C 13 58.957 0.2 . 1 . . . . 70 ARG CA . 15348 1 850 . 1 1 70 70 ARG CB C 13 29.799 0.012 . 1 . . . . 70 ARG CB . 15348 1 851 . 1 1 70 70 ARG CD C 13 43.019 0.113 . 1 . . . . 70 ARG CD . 15348 1 852 . 1 1 70 70 ARG N N 15 120.309 0.031 . 1 . . . . 70 ARG N . 15348 1 853 . 1 1 71 71 LEU H H 1 7.413 0.008 . 1 . . . . 71 LEU H . 15348 1 854 . 1 1 71 71 LEU HA H 1 4.341 0.05 . 1 . . . . 71 LEU HA . 15348 1 855 . 1 1 71 71 LEU HB2 H 1 1.893 0.009 . 1 . . . . 71 LEU HB2 . 15348 1 856 . 1 1 71 71 LEU HB3 H 1 1.893 0.009 . 1 . . . . 71 LEU HB3 . 15348 1 857 . 1 1 71 71 LEU HD11 H 1 1.059 0.011 . 2 . . . . 71 LEU HD11 . 15348 1 858 . 1 1 71 71 LEU HD12 H 1 1.059 0.011 . 2 . . . . 71 LEU HD12 . 15348 1 859 . 1 1 71 71 LEU HD13 H 1 1.059 0.011 . 2 . . . . 71 LEU HD13 . 15348 1 860 . 1 1 71 71 LEU HD21 H 1 0.916 0.013 . 2 . . . . 71 LEU HD21 . 15348 1 861 . 1 1 71 71 LEU HD22 H 1 0.916 0.013 . 2 . . . . 71 LEU HD22 . 15348 1 862 . 1 1 71 71 LEU HD23 H 1 0.916 0.013 . 2 . . . . 71 LEU HD23 . 15348 1 863 . 1 1 71 71 LEU HG H 1 1.769 0.05 . 1 . . . . 71 LEU HG . 15348 1 864 . 1 1 71 71 LEU C C 13 173.391 0.2 . 1 . . . . 71 LEU C . 15348 1 865 . 1 1 71 71 LEU CA C 13 54.911 0.2 . 1 . . . . 71 LEU CA . 15348 1 866 . 1 1 71 71 LEU CB C 13 42.693 0.002 . 1 . . . . 71 LEU CB . 15348 1 867 . 1 1 71 71 LEU N N 15 118.841 0.036 . 1 . . . . 71 LEU N . 15348 1 868 . 1 1 72 72 ASN H H 1 8.038 0.005 . 1 . . . . 72 ASN H . 15348 1 869 . 1 1 72 72 ASN HA H 1 4.394 0.003 . 1 . . . . 72 ASN HA . 15348 1 870 . 1 1 72 72 ASN HB2 H 1 2.779 0.003 . 2 . . . . 72 ASN HB2 . 15348 1 871 . 1 1 72 72 ASN HB3 H 1 3.024 0.004 . 2 . . . . 72 ASN HB3 . 15348 1 872 . 1 1 72 72 ASN HD21 H 1 6.710 0.003 . 1 . . . . 72 ASN HD21 . 15348 1 873 . 1 1 72 72 ASN HD22 H 1 6.710 0.003 . 1 . . . . 72 ASN HD22 . 15348 1 874 . 1 1 72 72 ASN C C 13 173.042 0.2 . 1 . . . . 72 ASN C . 15348 1 875 . 1 1 72 72 ASN CB C 13 36.412 0.048 . 1 . . . . 72 ASN CB . 15348 1 876 . 1 1 72 72 ASN N N 15 112.919 0.022 . 1 . . . . 72 ASN N . 15348 1 877 . 1 1 72 72 ASN ND2 N 15 111.533 0.031 . 1 . . . . 72 ASN ND2 . 15348 1 878 . 1 1 73 73 TYR H H 1 7.874 0.005 . 1 . . . . 73 TYR H . 15348 1 879 . 1 1 73 73 TYR HA H 1 4.868 0.006 . 1 . . . . 73 TYR HA . 15348 1 880 . 1 1 73 73 TYR HB2 H 1 2.573 0.009 . 2 . . . . 73 TYR HB2 . 15348 1 881 . 1 1 73 73 TYR HB3 H 1 3.053 0.019 . 2 . . . . 73 TYR HB3 . 15348 1 882 . 1 1 73 73 TYR HD1 H 1 7.185 0.002 . 3 . . . . 73 TYR HD1 . 15348 1 883 . 1 1 73 73 TYR HD2 H 1 7.185 0.002 . 3 . . . . 73 TYR HD2 . 15348 1 884 . 1 1 73 73 TYR HE1 H 1 6.793 0.017 . 3 . . . . 73 TYR HE1 . 15348 1 885 . 1 1 73 73 TYR HE2 H 1 6.793 0.017 . 3 . . . . 73 TYR HE2 . 15348 1 886 . 1 1 73 73 TYR C C 13 172.194 0.2 . 1 . . . . 73 TYR C . 15348 1 887 . 1 1 73 73 TYR CA C 13 57.105 0.037 . 1 . . . . 73 TYR CA . 15348 1 888 . 1 1 73 73 TYR CB C 13 37.918 0.006 . 1 . . . . 73 TYR CB . 15348 1 889 . 1 1 73 73 TYR N N 15 117.432 0.032 . 1 . . . . 73 TYR N . 15348 1 890 . 1 1 74 74 PRO HB2 H 1 2.440 0.05 . 1 . . . . 74 PRO HB2 . 15348 1 891 . 1 1 74 74 PRO HB3 H 1 2.440 0.05 . 1 . . . . 74 PRO HB3 . 15348 1 892 . 1 1 74 74 PRO HD2 H 1 4.081 0.006 . 1 . . . . 74 PRO HD2 . 15348 1 893 . 1 1 74 74 PRO HD3 H 1 4.081 0.006 . 1 . . . . 74 PRO HD3 . 15348 1 894 . 1 1 74 74 PRO HG2 H 1 2.155 0.013 . 1 . . . . 74 PRO HG2 . 15348 1 895 . 1 1 74 74 PRO HG3 H 1 2.155 0.013 . 1 . . . . 74 PRO HG3 . 15348 1 896 . 1 1 74 74 PRO CD C 13 50.645 0.020 . 1 . . . . 74 PRO CD . 15348 1 897 . 1 1 75 75 PRO HA H 1 4.626 0.005 . 1 . . . . 75 PRO HA . 15348 1 898 . 1 1 75 75 PRO HB2 H 1 2.074 0.002 . 2 . . . . 75 PRO HB2 . 15348 1 899 . 1 1 75 75 PRO HB3 H 1 2.258 0.05 . 2 . . . . 75 PRO HB3 . 15348 1 900 . 1 1 75 75 PRO HD2 H 1 3.748 0.014 . 1 . . . . 75 PRO HD2 . 15348 1 901 . 1 1 75 75 PRO HD3 H 1 3.748 0.014 . 1 . . . . 75 PRO HD3 . 15348 1 902 . 1 1 75 75 PRO C C 13 175.728 0.2 . 1 . . . . 75 PRO C . 15348 1 903 . 1 1 75 75 PRO CA C 13 62.502 0.064 . 1 . . . . 75 PRO CA . 15348 1 904 . 1 1 75 75 PRO CB C 13 32.339 0.2 . 1 . . . . 75 PRO CB . 15348 1 905 . 1 1 76 76 GLY H H 1 8.369 0.003 . 1 . . . . 76 GLY H . 15348 1 906 . 1 1 76 76 GLY HA2 H 1 4.057 0.05 . 2 . . . . 76 GLY HA2 . 15348 1 907 . 1 1 76 76 GLY HA3 H 1 4.556 0.05 . 2 . . . . 76 GLY HA3 . 15348 1 908 . 1 1 76 76 GLY C C 13 173.248 0.2 . 1 . . . . 76 GLY C . 15348 1 909 . 1 1 76 76 GLY CA C 13 46.180 0.016 . 1 . . . . 76 GLY CA . 15348 1 910 . 1 1 76 76 GLY N N 15 106.185 0.046 . 1 . . . . 76 GLY N . 15348 1 911 . 1 1 77 77 LYS H H 1 8.632 0.014 . 1 . . . . 77 LYS H . 15348 1 912 . 1 1 77 77 LYS HA H 1 4.433 0.05 . 1 . . . . 77 LYS HA . 15348 1 913 . 1 1 77 77 LYS HB2 H 1 1.574 0.05 . 2 . . . . 77 LYS HB2 . 15348 1 914 . 1 1 77 77 LYS HB3 H 1 2.002 0.05 . 2 . . . . 77 LYS HB3 . 15348 1 915 . 1 1 77 77 LYS HD2 H 1 1.666 0.008 . 1 . . . . 77 LYS HD2 . 15348 1 916 . 1 1 77 77 LYS HD3 H 1 1.666 0.008 . 1 . . . . 77 LYS HD3 . 15348 1 917 . 1 1 77 77 LYS HE2 H 1 2.999 0.001 . 1 . . . . 77 LYS HE2 . 15348 1 918 . 1 1 77 77 LYS HE3 H 1 2.999 0.001 . 1 . . . . 77 LYS HE3 . 15348 1 919 . 1 1 77 77 LYS HG2 H 1 1.441 0.05 . 1 . . . . 77 LYS HG2 . 15348 1 920 . 1 1 77 77 LYS HG3 H 1 1.441 0.05 . 1 . . . . 77 LYS HG3 . 15348 1 921 . 1 1 77 77 LYS C C 13 174.924 0.2 . 1 . . . . 77 LYS C . 15348 1 922 . 1 1 77 77 LYS CA C 13 56.453 0.2 . 1 . . . . 77 LYS CA . 15348 1 923 . 1 1 77 77 LYS CB C 13 33.170 0.2 . 1 . . . . 77 LYS CB . 15348 1 924 . 1 1 77 77 LYS CE C 13 42.044 0.020 . 1 . . . . 77 LYS CE . 15348 1 925 . 1 1 77 77 LYS N N 15 119.592 0.014 . 1 . . . . 77 LYS N . 15348 1 926 . 1 1 78 78 ASN H H 1 8.865 0.004 . 1 . . . . 78 ASN H . 15348 1 927 . 1 1 78 78 ASN HA H 1 4.654 0.008 . 1 . . . . 78 ASN HA . 15348 1 928 . 1 1 78 78 ASN HB2 H 1 2.739 0.002 . 2 . . . . 78 ASN HB2 . 15348 1 929 . 1 1 78 78 ASN HB3 H 1 3.078 0.006 . 2 . . . . 78 ASN HB3 . 15348 1 930 . 1 1 78 78 ASN HD21 H 1 7.626 0.05 . 1 . . . . 78 ASN HD21 . 15348 1 931 . 1 1 78 78 ASN HD22 H 1 6.959 0.05 . 1 . . . . 78 ASN HD22 . 15348 1 932 . 1 1 78 78 ASN C C 13 174.869 0.2 . 1 . . . . 78 ASN C . 15348 1 933 . 1 1 78 78 ASN CA C 13 54.117 0.119 . 1 . . . . 78 ASN CA . 15348 1 934 . 1 1 78 78 ASN CB C 13 37.841 0.018 . 1 . . . . 78 ASN CB . 15348 1 935 . 1 1 78 78 ASN N N 15 116.880 0.014 . 1 . . . . 78 ASN N . 15348 1 936 . 1 1 78 78 ASN ND2 N 15 113.200 0.004 . 1 . . . . 78 ASN ND2 . 15348 1 937 . 1 1 79 79 ILE H H 1 8.008 0.006 . 1 . . . . 79 ILE H . 15348 1 938 . 1 1 79 79 ILE HA H 1 3.718 0.009 . 1 . . . . 79 ILE HA . 15348 1 939 . 1 1 79 79 ILE HB H 1 1.764 0.012 . 1 . . . . 79 ILE HB . 15348 1 940 . 1 1 79 79 ILE HD11 H 1 0.786 0.006 . 1 . . . . 79 ILE HD11 . 15348 1 941 . 1 1 79 79 ILE HD12 H 1 0.786 0.006 . 1 . . . . 79 ILE HD12 . 15348 1 942 . 1 1 79 79 ILE HD13 H 1 0.786 0.006 . 1 . . . . 79 ILE HD13 . 15348 1 943 . 1 1 79 79 ILE HG12 H 1 1.425 0.013 . 1 . . . . 79 ILE HG12 . 15348 1 944 . 1 1 79 79 ILE HG13 H 1 1.425 0.05 . 1 . . . . 79 ILE HG13 . 15348 1 945 . 1 1 79 79 ILE HG21 H 1 0.530 0.010 . 1 . . . . 79 ILE HG21 . 15348 1 946 . 1 1 79 79 ILE HG22 H 1 0.530 0.010 . 1 . . . . 79 ILE HG22 . 15348 1 947 . 1 1 79 79 ILE HG23 H 1 0.530 0.010 . 1 . . . . 79 ILE HG23 . 15348 1 948 . 1 1 79 79 ILE C C 13 175.921 0.2 . 1 . . . . 79 ILE C . 15348 1 949 . 1 1 79 79 ILE CA C 13 63.618 0.025 . 1 . . . . 79 ILE CA . 15348 1 950 . 1 1 79 79 ILE CB C 13 37.158 0.020 . 1 . . . . 79 ILE CB . 15348 1 951 . 1 1 79 79 ILE CG2 C 13 17.980 0.015 . 1 . . . . 79 ILE CG2 . 15348 1 952 . 1 1 79 79 ILE N N 15 119.688 0.025 . 1 . . . . 79 ILE N . 15348 1 953 . 1 1 80 80 GLY H H 1 9.062 0.005 . 1 . . . . 80 GLY H . 15348 1 954 . 1 1 80 80 GLY HA2 H 1 3.739 0.013 . 1 . . . . 80 GLY HA2 . 15348 1 955 . 1 1 80 80 GLY HA3 H 1 3.739 0.070 . 1 . . . . 80 GLY HA3 . 15348 1 956 . 1 1 80 80 GLY C C 13 173.185 0.2 . 1 . . . . 80 GLY C . 15348 1 957 . 1 1 80 80 GLY CA C 13 48.166 0.102 . 1 . . . . 80 GLY CA . 15348 1 958 . 1 1 80 80 GLY N N 15 110.338 0.052 . 1 . . . . 80 GLY N . 15348 1 959 . 1 1 81 81 SER H H 1 7.460 0.010 . 1 . . . . 81 SER H . 15348 1 960 . 1 1 81 81 SER HA H 1 3.904 0.016 . 1 . . . . 81 SER HA . 15348 1 961 . 1 1 81 81 SER HB2 H 1 3.815 0.019 . 1 . . . . 81 SER HB2 . 15348 1 962 . 1 1 81 81 SER HB3 H 1 3.815 0.019 . 1 . . . . 81 SER HB3 . 15348 1 963 . 1 1 81 81 SER C C 13 174.999 0.2 . 1 . . . . 81 SER C . 15348 1 964 . 1 1 81 81 SER CA C 13 61.138 0.036 . 1 . . . . 81 SER CA . 15348 1 965 . 1 1 81 81 SER CB C 13 62.740 0.120 . 1 . . . . 81 SER CB . 15348 1 966 . 1 1 81 81 SER N N 15 115.348 0.011 . 1 . . . . 81 SER N . 15348 1 967 . 1 1 82 82 LEU H H 1 7.367 0.007 . 1 . . . . 82 LEU H . 15348 1 968 . 1 1 82 82 LEU HA H 1 3.946 0.012 . 1 . . . . 82 LEU HA . 15348 1 969 . 1 1 82 82 LEU HB2 H 1 1.611 0.005 . 2 . . . . 82 LEU HB2 . 15348 1 970 . 1 1 82 82 LEU HB3 H 1 1.797 0.008 . 2 . . . . 82 LEU HB3 . 15348 1 971 . 1 1 82 82 LEU HD11 H 1 0.878 0.018 . 1 . . . . 82 LEU HD11 . 15348 1 972 . 1 1 82 82 LEU HD12 H 1 0.878 0.018 . 1 . . . . 82 LEU HD12 . 15348 1 973 . 1 1 82 82 LEU HD13 H 1 0.878 0.018 . 1 . . . . 82 LEU HD13 . 15348 1 974 . 1 1 82 82 LEU HD21 H 1 0.878 0.018 . 1 . . . . 82 LEU HD21 . 15348 1 975 . 1 1 82 82 LEU HD22 H 1 0.878 0.018 . 1 . . . . 82 LEU HD22 . 15348 1 976 . 1 1 82 82 LEU HD23 H 1 0.878 0.018 . 1 . . . . 82 LEU HD23 . 15348 1 977 . 1 1 82 82 LEU C C 13 176.969 0.2 . 1 . . . . 82 LEU C . 15348 1 978 . 1 1 82 82 LEU CA C 13 57.504 0.019 . 1 . . . . 82 LEU CA . 15348 1 979 . 1 1 82 82 LEU CB C 13 42.185 0.042 . 1 . . . . 82 LEU CB . 15348 1 980 . 1 1 82 82 LEU N N 15 124.267 0.017 . 1 . . . . 82 LEU N . 15348 1 981 . 1 1 83 83 LEU H H 1 8.330 0.005 . 1 . . . . 83 LEU H . 15348 1 982 . 1 1 83 83 LEU HA H 1 3.924 0.022 . 1 . . . . 83 LEU HA . 15348 1 983 . 1 1 83 83 LEU HB2 H 1 1.413 0.017 . 2 . . . . 83 LEU HB2 . 15348 1 984 . 1 1 83 83 LEU HB3 H 1 2.196 0.021 . 2 . . . . 83 LEU HB3 . 15348 1 985 . 1 1 83 83 LEU HD11 H 1 1.008 0.05 . 2 . . . . 83 LEU HD11 . 15348 1 986 . 1 1 83 83 LEU HD12 H 1 1.008 0.05 . 2 . . . . 83 LEU HD12 . 15348 1 987 . 1 1 83 83 LEU HD13 H 1 1.008 0.05 . 2 . . . . 83 LEU HD13 . 15348 1 988 . 1 1 83 83 LEU HD21 H 1 0.869 0.016 . 2 . . . . 83 LEU HD21 . 15348 1 989 . 1 1 83 83 LEU HD22 H 1 0.869 0.016 . 2 . . . . 83 LEU HD22 . 15348 1 990 . 1 1 83 83 LEU HD23 H 1 0.869 0.016 . 2 . . . . 83 LEU HD23 . 15348 1 991 . 1 1 83 83 LEU C C 13 176.303 0.2 . 1 . . . . 83 LEU C . 15348 1 992 . 1 1 83 83 LEU CA C 13 58.067 0.087 . 1 . . . . 83 LEU CA . 15348 1 993 . 1 1 83 83 LEU CB C 13 41.061 0.029 . 1 . . . . 83 LEU CB . 15348 1 994 . 1 1 83 83 LEU N N 15 117.452 0.024 . 1 . . . . 83 LEU N . 15348 1 995 . 1 1 84 84 ARG H H 1 7.651 0.006 . 1 . . . . 84 ARG H . 15348 1 996 . 1 1 84 84 ARG HA H 1 2.230 0.017 . 1 . . . . 84 ARG HA . 15348 1 997 . 1 1 84 84 ARG HB2 H 1 1.209 0.033 . 1 . . . . 84 ARG HB2 . 15348 1 998 . 1 1 84 84 ARG HB3 H 1 1.209 0.033 . 1 . . . . 84 ARG HB3 . 15348 1 999 . 1 1 84 84 ARG HD2 H 1 2.700 0.009 . 1 . . . . 84 ARG HD2 . 15348 1 1000 . 1 1 84 84 ARG HD3 H 1 2.700 0.009 . 1 . . . . 84 ARG HD3 . 15348 1 1001 . 1 1 84 84 ARG HG2 H 1 0.743 0.002 . 2 . . . . 84 ARG HG2 . 15348 1 1002 . 1 1 84 84 ARG HG3 H 1 1.083 0.015 . 2 . . . . 84 ARG HG3 . 15348 1 1003 . 1 1 84 84 ARG C C 13 175.902 0.2 . 1 . . . . 84 ARG C . 15348 1 1004 . 1 1 84 84 ARG CA C 13 59.112 0.065 . 1 . . . . 84 ARG CA . 15348 1 1005 . 1 1 84 84 ARG CB C 13 28.579 0.135 . 1 . . . . 84 ARG CB . 15348 1 1006 . 1 1 84 84 ARG CD C 13 43.838 0.2 . 1 . . . . 84 ARG CD . 15348 1 1007 . 1 1 84 84 ARG N N 15 119.586 0.020 . 1 . . . . 84 ARG N . 15348 1 1008 . 1 1 85 85 SER H H 1 7.291 0.010 . 1 . . . . 85 SER H . 15348 1 1009 . 1 1 85 85 SER HA H 1 4.189 0.010 . 1 . . . . 85 SER HA . 15348 1 1010 . 1 1 85 85 SER HB2 H 1 3.757 0.005 . 1 . . . . 85 SER HB2 . 15348 1 1011 . 1 1 85 85 SER HB3 H 1 3.757 0.005 . 1 . . . . 85 SER HB3 . 15348 1 1012 . 1 1 85 85 SER C C 13 175.546 0.2 . 1 . . . . 85 SER C . 15348 1 1013 . 1 1 85 85 SER CA C 13 61.376 0.132 . 1 . . . . 85 SER CA . 15348 1 1014 . 1 1 85 85 SER CB C 13 62.805 0.089 . 1 . . . . 85 SER CB . 15348 1 1015 . 1 1 85 85 SER N N 15 112.921 0.022 . 1 . . . . 85 SER N . 15348 1 1016 . 1 1 86 86 HIS H H 1 8.156 0.008 . 1 . . . . 86 HIS H . 15348 1 1017 . 1 1 86 86 HIS HA H 1 4.782 0.015 . 1 . . . . 86 HIS HA . 15348 1 1018 . 1 1 86 86 HIS HB2 H 1 2.699 0.010 . 2 . . . . 86 HIS HB2 . 15348 1 1019 . 1 1 86 86 HIS HB3 H 1 2.927 0.009 . 2 . . . . 86 HIS HB3 . 15348 1 1020 . 1 1 86 86 HIS HD2 H 1 6.341 0.006 . 1 . . . . 86 HIS HD2 . 15348 1 1021 . 1 1 86 86 HIS HE1 H 1 7.733 0.002 . 1 . . . . 86 HIS HE1 . 15348 1 1022 . 1 1 86 86 HIS C C 13 176.851 0.2 . 1 . . . . 86 HIS C . 15348 1 1023 . 1 1 86 86 HIS CA C 13 58.898 0.081 . 1 . . . . 86 HIS CA . 15348 1 1024 . 1 1 86 86 HIS CB C 13 31.110 0.050 . 1 . . . . 86 HIS CB . 15348 1 1025 . 1 1 86 86 HIS CD2 C 13 117.177 0.021 . 1 . . . . 86 HIS CD2 . 15348 1 1026 . 1 1 86 86 HIS CE1 C 13 139.302 0.014 . 1 . . . . 86 HIS CE1 . 15348 1 1027 . 1 1 86 86 HIS N N 15 119.258 0.057 . 1 . . . . 86 HIS N . 15348 1 1028 . 1 1 87 87 TYR H H 1 9.180 0.013 . 1 . . . . 87 TYR H . 15348 1 1029 . 1 1 87 87 TYR HA H 1 3.913 0.010 . 1 . . . . 87 TYR HA . 15348 1 1030 . 1 1 87 87 TYR HB2 H 1 3.480 0.023 . 1 . . . . 87 TYR HB2 . 15348 1 1031 . 1 1 87 87 TYR HB3 H 1 3.480 0.010 . 1 . . . . 87 TYR HB3 . 15348 1 1032 . 1 1 87 87 TYR HD1 H 1 6.943 0.032 . 3 . . . . 87 TYR HD1 . 15348 1 1033 . 1 1 87 87 TYR HD2 H 1 6.943 0.032 . 3 . . . . 87 TYR HD2 . 15348 1 1034 . 1 1 87 87 TYR HE1 H 1 6.792 0.018 . 3 . . . . 87 TYR HE1 . 15348 1 1035 . 1 1 87 87 TYR HE2 H 1 6.792 0.018 . 3 . . . . 87 TYR HE2 . 15348 1 1036 . 1 1 87 87 TYR C C 13 176.841 0.2 . 1 . . . . 87 TYR C . 15348 1 1037 . 1 1 87 87 TYR CA C 13 63.526 0.101 . 1 . . . . 87 TYR CA . 15348 1 1038 . 1 1 87 87 TYR CB C 13 39.431 0.005 . 1 . . . . 87 TYR CB . 15348 1 1039 . 1 1 87 87 TYR CD1 C 13 133.665 0.2 . 3 . . . . 87 TYR CD1 . 15348 1 1040 . 1 1 87 87 TYR CD2 C 13 133.665 0.2 . 3 . . . . 87 TYR CD2 . 15348 1 1041 . 1 1 87 87 TYR N N 15 120.625 0.005 . 1 . . . . 87 TYR N . 15348 1 1042 . 1 1 88 88 GLU H H 1 9.028 0.007 . 1 . . . . 88 GLU H . 15348 1 1043 . 1 1 88 88 GLU HA H 1 3.682 0.004 . 1 . . . . 88 GLU HA . 15348 1 1044 . 1 1 88 88 GLU HB2 H 1 2.053 0.05 . 2 . . . . 88 GLU HB2 . 15348 1 1045 . 1 1 88 88 GLU HB3 H 1 2.454 0.001 . 2 . . . . 88 GLU HB3 . 15348 1 1046 . 1 1 88 88 GLU HG2 H 1 2.261 0.05 . 2 . . . . 88 GLU HG2 . 15348 1 1047 . 1 1 88 88 GLU HG3 H 1 2.652 0.018 . 2 . . . . 88 GLU HG3 . 15348 1 1048 . 1 1 88 88 GLU C C 13 175.833 0.2 . 1 . . . . 88 GLU C . 15348 1 1049 . 1 1 88 88 GLU CA C 13 59.730 0.148 . 1 . . . . 88 GLU CA . 15348 1 1050 . 1 1 88 88 GLU CB C 13 30.009 0.2 . 1 . . . . 88 GLU CB . 15348 1 1051 . 1 1 88 88 GLU CG C 13 37.021 0.202 . 1 . . . . 88 GLU CG . 15348 1 1052 . 1 1 88 88 GLU N N 15 119.531 0.080 . 1 . . . . 88 GLU N . 15348 1 1053 . 1 1 89 89 ARG H H 1 8.052 0.025 . 1 . . . . 89 ARG H . 15348 1 1054 . 1 1 89 89 ARG HA H 1 4.292 0.009 . 1 . . . . 89 ARG HA . 15348 1 1055 . 1 1 89 89 ARG HB2 H 1 1.956 0.001 . 1 . . . . 89 ARG HB2 . 15348 1 1056 . 1 1 89 89 ARG HB3 H 1 1.956 0.001 . 1 . . . . 89 ARG HB3 . 15348 1 1057 . 1 1 89 89 ARG HD2 H 1 3.175 0.05 . 1 . . . . 89 ARG HD2 . 15348 1 1058 . 1 1 89 89 ARG HD3 H 1 3.175 0.05 . 1 . . . . 89 ARG HD3 . 15348 1 1059 . 1 1 89 89 ARG HG2 H 1 1.629 0.029 . 1 . . . . 89 ARG HG2 . 15348 1 1060 . 1 1 89 89 ARG HG3 H 1 1.629 0.029 . 1 . . . . 89 ARG HG3 . 15348 1 1061 . 1 1 89 89 ARG C C 13 176.045 0.2 . 1 . . . . 89 ARG C . 15348 1 1062 . 1 1 89 89 ARG CA C 13 58.538 0.017 . 1 . . . . 89 ARG CA . 15348 1 1063 . 1 1 89 89 ARG CB C 13 31.841 0.018 . 1 . . . . 89 ARG CB . 15348 1 1064 . 1 1 89 89 ARG CD C 13 43.403 0.2 . 1 . . . . 89 ARG CD . 15348 1 1065 . 1 1 89 89 ARG N N 15 114.741 0.097 . 1 . . . . 89 ARG N . 15348 1 1066 . 1 1 90 90 ILE H H 1 8.141 0.003 . 1 . . . . 90 ILE H . 15348 1 1067 . 1 1 90 90 ILE HA H 1 4.296 0.018 . 1 . . . . 90 ILE HA . 15348 1 1068 . 1 1 90 90 ILE HB H 1 1.862 0.004 . 1 . . . . 90 ILE HB . 15348 1 1069 . 1 1 90 90 ILE HD11 H 1 0.698 0.009 . 1 . . . . 90 ILE HD11 . 15348 1 1070 . 1 1 90 90 ILE HD12 H 1 0.698 0.009 . 1 . . . . 90 ILE HD12 . 15348 1 1071 . 1 1 90 90 ILE HD13 H 1 0.698 0.009 . 1 . . . . 90 ILE HD13 . 15348 1 1072 . 1 1 90 90 ILE HG21 H 1 0.912 0.017 . 1 . . . . 90 ILE HG21 . 15348 1 1073 . 1 1 90 90 ILE HG22 H 1 0.912 0.017 . 1 . . . . 90 ILE HG22 . 15348 1 1074 . 1 1 90 90 ILE HG23 H 1 0.912 0.017 . 1 . . . . 90 ILE HG23 . 15348 1 1075 . 1 1 90 90 ILE C C 13 174.461 0.2 . 1 . . . . 90 ILE C . 15348 1 1076 . 1 1 90 90 ILE CA C 13 63.649 0.108 . 1 . . . . 90 ILE CA . 15348 1 1077 . 1 1 90 90 ILE CB C 13 40.626 0.010 . 1 . . . . 90 ILE CB . 15348 1 1078 . 1 1 90 90 ILE CG2 C 13 18.796 0.014 . 1 . . . . 90 ILE CG2 . 15348 1 1079 . 1 1 90 90 ILE N N 15 113.421 0.030 . 1 . . . . 90 ILE N . 15348 1 1080 . 1 1 91 91 VAL H H 1 7.350 0.006 . 1 . . . . 91 VAL H . 15348 1 1081 . 1 1 91 91 VAL HA H 1 4.144 0.009 . 1 . . . . 91 VAL HA . 15348 1 1082 . 1 1 91 91 VAL HB H 1 1.459 0.018 . 1 . . . . 91 VAL HB . 15348 1 1083 . 1 1 91 91 VAL HG11 H 1 1.059 0.023 . 1 . . . . 91 VAL HG11 . 15348 1 1084 . 1 1 91 91 VAL HG12 H 1 1.059 0.023 . 1 . . . . 91 VAL HG12 . 15348 1 1085 . 1 1 91 91 VAL HG13 H 1 1.059 0.023 . 1 . . . . 91 VAL HG13 . 15348 1 1086 . 1 1 91 91 VAL HG21 H 1 1.059 0.023 . 1 . . . . 91 VAL HG21 . 15348 1 1087 . 1 1 91 91 VAL HG22 H 1 1.059 0.023 . 1 . . . . 91 VAL HG22 . 15348 1 1088 . 1 1 91 91 VAL HG23 H 1 1.059 0.023 . 1 . . . . 91 VAL HG23 . 15348 1 1089 . 1 1 91 91 VAL C C 13 175.422 0.2 . 1 . . . . 91 VAL C . 15348 1 1090 . 1 1 91 91 VAL CA C 13 65.042 0.094 . 1 . . . . 91 VAL CA . 15348 1 1091 . 1 1 91 91 VAL CB C 13 33.215 0.003 . 1 . . . . 91 VAL CB . 15348 1 1092 . 1 1 91 91 VAL N N 15 118.215 0.007 . 1 . . . . 91 VAL N . 15348 1 1093 . 1 1 92 92 TYR H H 1 8.565 0.006 . 1 . . . . 92 TYR H . 15348 1 1094 . 1 1 92 92 TYR HA H 1 4.217 0.007 . 1 . . . . 92 TYR HA . 15348 1 1095 . 1 1 92 92 TYR HB2 H 1 3.214 0.020 . 1 . . . . 92 TYR HB2 . 15348 1 1096 . 1 1 92 92 TYR HB3 H 1 3.214 0.020 . 1 . . . . 92 TYR HB3 . 15348 1 1097 . 1 1 92 92 TYR HD1 H 1 6.982 0.009 . 3 . . . . 92 TYR HD1 . 15348 1 1098 . 1 1 92 92 TYR HD2 H 1 6.982 0.009 . 3 . . . . 92 TYR HD2 . 15348 1 1099 . 1 1 92 92 TYR C C 13 171.495 0.2 . 1 . . . . 92 TYR C . 15348 1 1100 . 1 1 92 92 TYR CA C 13 61.558 0.055 . 1 . . . . 92 TYR CA . 15348 1 1101 . 1 1 92 92 TYR CB C 13 36.757 0.008 . 1 . . . . 92 TYR CB . 15348 1 1102 . 1 1 92 92 TYR N N 15 121.370 0.038 . 1 . . . . 92 TYR N . 15348 1 1103 . 1 1 93 93 PRO HA H 1 4.136 0.020 . 1 . . . . 93 PRO HA . 15348 1 1104 . 1 1 93 93 PRO HB2 H 1 2.582 0.004 . 1 . . . . 93 PRO HB2 . 15348 1 1105 . 1 1 93 93 PRO HB3 H 1 2.582 0.05 . 1 . . . . 93 PRO HB3 . 15348 1 1106 . 1 1 93 93 PRO HG2 H 1 0.952 0.05 . 2 . . . . 93 PRO HG2 . 15348 1 1107 . 1 1 93 93 PRO HG3 H 1 1.102 0.05 . 2 . . . . 93 PRO HG3 . 15348 1 1108 . 1 1 93 93 PRO C C 13 177.077 0.2 . 1 . . . . 93 PRO C . 15348 1 1109 . 1 1 93 93 PRO CA C 13 66.037 0.119 . 1 . . . . 93 PRO CA . 15348 1 1110 . 1 1 93 93 PRO CB C 13 31.482 0.2 . 1 . . . . 93 PRO CB . 15348 1 1111 . 1 1 94 94 TYR H H 1 6.517 0.004 . 1 . . . . 94 TYR H . 15348 1 1112 . 1 1 94 94 TYR HA H 1 2.798 0.005 . 1 . . . . 94 TYR HA . 15348 1 1113 . 1 1 94 94 TYR HB2 H 1 2.359 0.005 . 2 . . . . 94 TYR HB2 . 15348 1 1114 . 1 1 94 94 TYR HB3 H 1 3.016 0.004 . 2 . . . . 94 TYR HB3 . 15348 1 1115 . 1 1 94 94 TYR HD1 H 1 6.560 0.038 . 3 . . . . 94 TYR HD1 . 15348 1 1116 . 1 1 94 94 TYR HD2 H 1 6.560 0.038 . 3 . . . . 94 TYR HD2 . 15348 1 1117 . 1 1 94 94 TYR HE1 H 1 6.869 0.002 . 3 . . . . 94 TYR HE1 . 15348 1 1118 . 1 1 94 94 TYR HE2 H 1 6.869 0.002 . 3 . . . . 94 TYR HE2 . 15348 1 1119 . 1 1 94 94 TYR C C 13 174.985 0.2 . 1 . . . . 94 TYR C . 15348 1 1120 . 1 1 94 94 TYR CA C 13 59.356 0.095 . 1 . . . . 94 TYR CA . 15348 1 1121 . 1 1 94 94 TYR CB C 13 37.987 0.161 . 1 . . . . 94 TYR CB . 15348 1 1122 . 1 1 94 94 TYR CD1 C 13 132.817 0.040 . 3 . . . . 94 TYR CD1 . 15348 1 1123 . 1 1 94 94 TYR CD2 C 13 132.817 0.040 . 3 . . . . 94 TYR CD2 . 15348 1 1124 . 1 1 94 94 TYR N N 15 115.987 0.018 . 1 . . . . 94 TYR N . 15348 1 1125 . 1 1 95 95 GLU H H 1 8.205 0.006 . 1 . . . . 95 GLU H . 15348 1 1126 . 1 1 95 95 GLU HA H 1 3.682 0.004 . 1 . . . . 95 GLU HA . 15348 1 1127 . 1 1 95 95 GLU HB2 H 1 1.967 0.012 . 2 . . . . 95 GLU HB2 . 15348 1 1128 . 1 1 95 95 GLU HB3 H 1 2.108 0.009 . 2 . . . . 95 GLU HB3 . 15348 1 1129 . 1 1 95 95 GLU HG2 H 1 2.367 0.010 . 2 . . . . 95 GLU HG2 . 15348 1 1130 . 1 1 95 95 GLU HG3 H 1 2.500 0.006 . 2 . . . . 95 GLU HG3 . 15348 1 1131 . 1 1 95 95 GLU C C 13 178.530 0.2 . 1 . . . . 95 GLU C . 15348 1 1132 . 1 1 95 95 GLU CA C 13 58.910 0.029 . 1 . . . . 95 GLU CA . 15348 1 1133 . 1 1 95 95 GLU CB C 13 29.187 0.2 . 1 . . . . 95 GLU CB . 15348 1 1134 . 1 1 95 95 GLU N N 15 119.946 0.019 . 1 . . . . 95 GLU N . 15348 1 1135 . 1 1 96 96 MET H H 1 8.248 0.004 . 1 . . . . 96 MET H . 15348 1 1136 . 1 1 96 96 MET HA H 1 4.172 0.011 . 1 . . . . 96 MET HA . 15348 1 1137 . 1 1 96 96 MET HB2 H 1 1.713 0.05 . 2 . . . . 96 MET HB2 . 15348 1 1138 . 1 1 96 96 MET HB3 H 1 1.801 0.025 . 2 . . . . 96 MET HB3 . 15348 1 1139 . 1 1 96 96 MET HE1 H 1 1.856 0.05 . 1 . . . . 96 MET HE1 . 15348 1 1140 . 1 1 96 96 MET HE2 H 1 1.856 0.05 . 1 . . . . 96 MET HE2 . 15348 1 1141 . 1 1 96 96 MET HE3 H 1 1.856 0.05 . 1 . . . . 96 MET HE3 . 15348 1 1142 . 1 1 96 96 MET C C 13 176.874 0.2 . 1 . . . . 96 MET C . 15348 1 1143 . 1 1 96 96 MET CA C 13 57.159 0.006 . 1 . . . . 96 MET CA . 15348 1 1144 . 1 1 96 96 MET CB C 13 31.829 0.2 . 1 . . . . 96 MET CB . 15348 1 1145 . 1 1 96 96 MET CE C 13 17.304 0.2 . 1 . . . . 96 MET CE . 15348 1 1146 . 1 1 96 96 MET N N 15 117.570 0.011 . 1 . . . . 96 MET N . 15348 1 1147 . 1 1 97 97 TYR H H 1 7.445 0.006 . 1 . . . . 97 TYR H . 15348 1 1148 . 1 1 97 97 TYR HA H 1 4.248 0.021 . 1 . . . . 97 TYR HA . 15348 1 1149 . 1 1 97 97 TYR HB2 H 1 2.837 0.05 . 2 . . . . 97 TYR HB2 . 15348 1 1150 . 1 1 97 97 TYR HB3 H 1 3.103 0.006 . 2 . . . . 97 TYR HB3 . 15348 1 1151 . 1 1 97 97 TYR HD1 H 1 7.050 0.006 . 3 . . . . 97 TYR HD1 . 15348 1 1152 . 1 1 97 97 TYR HD2 H 1 7.050 0.006 . 3 . . . . 97 TYR HD2 . 15348 1 1153 . 1 1 97 97 TYR HE1 H 1 6.880 0.05 . 3 . . . . 97 TYR HE1 . 15348 1 1154 . 1 1 97 97 TYR HE2 H 1 6.880 0.05 . 3 . . . . 97 TYR HE2 . 15348 1 1155 . 1 1 97 97 TYR C C 13 176.476 0.2 . 1 . . . . 97 TYR C . 15348 1 1156 . 1 1 97 97 TYR CA C 13 60.470 0.014 . 1 . . . . 97 TYR CA . 15348 1 1157 . 1 1 97 97 TYR CB C 13 38.612 0.2 . 1 . . . . 97 TYR CB . 15348 1 1158 . 1 1 97 97 TYR CD1 C 13 133.631 0.046 . 3 . . . . 97 TYR CD1 . 15348 1 1159 . 1 1 97 97 TYR CD2 C 13 133.631 0.046 . 3 . . . . 97 TYR CD2 . 15348 1 1160 . 1 1 97 97 TYR N N 15 122.246 0.017 . 1 . . . . 97 TYR N . 15348 1 1161 . 1 1 98 98 GLN H H 1 8.087 0.009 . 1 . . . . 98 GLN H . 15348 1 1162 . 1 1 98 98 GLN HA H 1 3.793 0.006 . 1 . . . . 98 GLN HA . 15348 1 1163 . 1 1 98 98 GLN HB2 H 1 1.830 0.003 . 1 . . . . 98 GLN HB2 . 15348 1 1164 . 1 1 98 98 GLN HB3 H 1 1.830 0.003 . 1 . . . . 98 GLN HB3 . 15348 1 1165 . 1 1 98 98 GLN HE21 H 1 7.813 0.05 . 1 . . . . 98 GLN HE21 . 15348 1 1166 . 1 1 98 98 GLN HE22 H 1 6.954 0.05 . 1 . . . . 98 GLN HE22 . 15348 1 1167 . 1 1 98 98 GLN HG2 H 1 1.875 0.05 . 2 . . . . 98 GLN HG2 . 15348 1 1168 . 1 1 98 98 GLN HG3 H 1 1.972 0.05 . 2 . . . . 98 GLN HG3 . 15348 1 1169 . 1 1 98 98 GLN C C 13 175.549 0.2 . 1 . . . . 98 GLN C . 15348 1 1170 . 1 1 98 98 GLN CA C 13 57.365 0.131 . 1 . . . . 98 GLN CA . 15348 1 1171 . 1 1 98 98 GLN CB C 13 28.901 0.093 . 1 . . . . 98 GLN CB . 15348 1 1172 . 1 1 98 98 GLN CG C 13 33.829 0.2 . 1 . . . . 98 GLN CG . 15348 1 1173 . 1 1 98 98 GLN N N 15 118.769 0.041 . 1 . . . . 98 GLN N . 15348 1 1174 . 1 1 98 98 GLN NE2 N 15 112.319 0.008 . 1 . . . . 98 GLN NE2 . 15348 1 1175 . 1 1 99 99 SER H H 1 7.724 0.007 . 1 . . . . 99 SER H . 15348 1 1176 . 1 1 99 99 SER HA H 1 4.293 0.023 . 1 . . . . 99 SER HA . 15348 1 1177 . 1 1 99 99 SER HB2 H 1 3.966 0.05 . 1 . . . . 99 SER HB2 . 15348 1 1178 . 1 1 99 99 SER HB3 H 1 3.966 0.05 . 1 . . . . 99 SER HB3 . 15348 1 1179 . 1 1 99 99 SER C C 13 173.696 0.2 . 1 . . . . 99 SER C . 15348 1 1180 . 1 1 99 99 SER CA C 13 59.566 0.2 . 1 . . . . 99 SER CA . 15348 1 1181 . 1 1 99 99 SER CB C 13 63.847 0.2 . 1 . . . . 99 SER CB . 15348 1 1182 . 1 1 99 99 SER N N 15 113.257 0.015 . 1 . . . . 99 SER N . 15348 1 1183 . 1 1 100 100 GLY H H 1 7.751 0.005 . 1 . . . . 100 GLY H . 15348 1 1184 . 1 1 100 100 GLY HA2 H 1 3.813 0.012 . 2 . . . . 100 GLY HA2 . 15348 1 1185 . 1 1 100 100 GLY HA3 H 1 3.934 0.092 . 2 . . . . 100 GLY HA3 . 15348 1 1186 . 1 1 100 100 GLY C C 13 172.643 0.2 . 1 . . . . 100 GLY C . 15348 1 1187 . 1 1 100 100 GLY CA C 13 45.570 0.112 . 1 . . . . 100 GLY CA . 15348 1 1188 . 1 1 100 100 GLY N N 15 109.750 0.005 . 1 . . . . 100 GLY N . 15348 1 1189 . 1 1 101 101 ALA H H 1 7.824 0.002 . 1 . . . . 101 ALA H . 15348 1 1190 . 1 1 101 101 ALA HA H 1 4.221 0.013 . 1 . . . . 101 ALA HA . 15348 1 1191 . 1 1 101 101 ALA HB1 H 1 1.283 0.005 . 1 . . . . 101 ALA HB1 . 15348 1 1192 . 1 1 101 101 ALA HB2 H 1 1.283 0.005 . 1 . . . . 101 ALA HB2 . 15348 1 1193 . 1 1 101 101 ALA HB3 H 1 1.283 0.005 . 1 . . . . 101 ALA HB3 . 15348 1 1194 . 1 1 101 101 ALA C C 13 175.639 0.2 . 1 . . . . 101 ALA C . 15348 1 1195 . 1 1 101 101 ALA CA C 13 52.745 0.092 . 1 . . . . 101 ALA CA . 15348 1 1196 . 1 1 101 101 ALA CB C 13 19.437 0.140 . 1 . . . . 101 ALA CB . 15348 1 1197 . 1 1 101 101 ALA N N 15 123.241 0.007 . 1 . . . . 101 ALA N . 15348 1 1198 . 1 1 102 102 ASN H H 1 8.191 0.008 . 1 . . . . 102 ASN H . 15348 1 1199 . 1 1 102 102 ASN HA H 1 4.658 0.021 . 1 . . . . 102 ASN HA . 15348 1 1200 . 1 1 102 102 ASN HB2 H 1 2.679 0.05 . 2 . . . . 102 ASN HB2 . 15348 1 1201 . 1 1 102 102 ASN HB3 H 1 2.841 0.05 . 2 . . . . 102 ASN HB3 . 15348 1 1202 . 1 1 102 102 ASN HD21 H 1 7.590 0.05 . 1 . . . . 102 ASN HD21 . 15348 1 1203 . 1 1 102 102 ASN HD22 H 1 6.879 0.05 . 1 . . . . 102 ASN HD22 . 15348 1 1204 . 1 1 102 102 ASN C C 13 173.337 0.2 . 1 . . . . 102 ASN C . 15348 1 1205 . 1 1 102 102 ASN CA C 13 53.374 0.002 . 1 . . . . 102 ASN CA . 15348 1 1206 . 1 1 102 102 ASN CB C 13 38.819 0.2 . 1 . . . . 102 ASN CB . 15348 1 1207 . 1 1 102 102 ASN N N 15 116.572 0.034 . 1 . . . . 102 ASN N . 15348 1 1208 . 1 1 102 102 ASN ND2 N 15 112.382 0.013 . 1 . . . . 102 ASN ND2 . 15348 1 1209 . 1 1 103 103 LEU H H 1 8.065 0.002 . 1 . . . . 103 LEU H . 15348 1 1210 . 1 1 103 103 LEU HA H 1 4.363 0.016 . 1 . . . . 103 LEU HA . 15348 1 1211 . 1 1 103 103 LEU HB2 H 1 1.642 0.002 . 1 . . . . 103 LEU HB2 . 15348 1 1212 . 1 1 103 103 LEU HB3 H 1 1.642 0.002 . 1 . . . . 103 LEU HB3 . 15348 1 1213 . 1 1 103 103 LEU HD11 H 1 0.913 0.008 . 2 . . . . 103 LEU HD11 . 15348 1 1214 . 1 1 103 103 LEU HD12 H 1 0.913 0.008 . 2 . . . . 103 LEU HD12 . 15348 1 1215 . 1 1 103 103 LEU HD13 H 1 0.913 0.008 . 2 . . . . 103 LEU HD13 . 15348 1 1216 . 1 1 103 103 LEU HD21 H 1 0.867 0.05 . 2 . . . . 103 LEU HD21 . 15348 1 1217 . 1 1 103 103 LEU HD22 H 1 0.867 0.05 . 2 . . . . 103 LEU HD22 . 15348 1 1218 . 1 1 103 103 LEU HD23 H 1 0.867 0.05 . 2 . . . . 103 LEU HD23 . 15348 1 1219 . 1 1 103 103 LEU C C 13 175.637 0.2 . 1 . . . . 103 LEU C . 15348 1 1220 . 1 1 103 103 LEU CA C 13 55.292 0.056 . 1 . . . . 103 LEU CA . 15348 1 1221 . 1 1 103 103 LEU CB C 13 42.433 0.080 . 1 . . . . 103 LEU CB . 15348 1 1222 . 1 1 103 103 LEU N N 15 122.074 0.029 . 1 . . . . 103 LEU N . 15348 1 1223 . 1 1 104 104 VAL H H 1 8.055 0.005 . 1 . . . . 104 VAL H . 15348 1 1224 . 1 1 104 104 VAL HA H 1 4.131 0.011 . 1 . . . . 104 VAL HA . 15348 1 1225 . 1 1 104 104 VAL HB H 1 2.116 0.005 . 1 . . . . 104 VAL HB . 15348 1 1226 . 1 1 104 104 VAL HG11 H 1 0.935 0.014 . 1 . . . . 104 VAL HG11 . 15348 1 1227 . 1 1 104 104 VAL HG12 H 1 0.935 0.014 . 1 . . . . 104 VAL HG12 . 15348 1 1228 . 1 1 104 104 VAL HG13 H 1 0.935 0.014 . 1 . . . . 104 VAL HG13 . 15348 1 1229 . 1 1 104 104 VAL HG21 H 1 0.935 0.014 . 1 . . . . 104 VAL HG21 . 15348 1 1230 . 1 1 104 104 VAL HG22 H 1 0.935 0.014 . 1 . . . . 104 VAL HG22 . 15348 1 1231 . 1 1 104 104 VAL HG23 H 1 0.935 0.014 . 1 . . . . 104 VAL HG23 . 15348 1 1232 . 1 1 104 104 VAL C C 13 174.364 0.2 . 1 . . . . 104 VAL C . 15348 1 1233 . 1 1 104 104 VAL CA C 13 62.552 0.049 . 1 . . . . 104 VAL CA . 15348 1 1234 . 1 1 104 104 VAL CB C 13 32.766 0.043 . 1 . . . . 104 VAL CB . 15348 1 1235 . 1 1 104 104 VAL N N 15 120.606 0.106 . 1 . . . . 104 VAL N . 15348 1 1236 . 1 1 105 105 CYS H H 1 8.392 0.017 . 1 . . . . 105 CYS H . 15348 1 1237 . 1 1 105 105 CYS HA H 1 4.535 0.010 . 1 . . . . 105 CYS HA . 15348 1 1238 . 1 1 105 105 CYS HB2 H 1 2.913 0.004 . 1 . . . . 105 CYS HB2 . 15348 1 1239 . 1 1 105 105 CYS HB3 H 1 2.913 0.004 . 1 . . . . 105 CYS HB3 . 15348 1 1240 . 1 1 105 105 CYS C C 13 172.593 0.2 . 1 . . . . 105 CYS C . 15348 1 1241 . 1 1 105 105 CYS CA C 13 58.449 0.067 . 1 . . . . 105 CYS CA . 15348 1 1242 . 1 1 105 105 CYS CB C 13 27.952 0.088 . 1 . . . . 105 CYS CB . 15348 1 1243 . 1 1 105 105 CYS N N 15 122.791 0.051 . 1 . . . . 105 CYS N . 15348 1 1244 . 1 1 106 106 ASN H H 1 8.575 0.014 . 1 . . . . 106 ASN H . 15348 1 1245 . 1 1 106 106 ASN HA H 1 4.843 0.002 . 1 . . . . 106 ASN HA . 15348 1 1246 . 1 1 106 106 ASN HB2 H 1 2.786 0.05 . 2 . . . . 106 ASN HB2 . 15348 1 1247 . 1 1 106 106 ASN HB3 H 1 2.909 0.05 . 2 . . . . 106 ASN HB3 . 15348 1 1248 . 1 1 106 106 ASN HD21 H 1 7.592 0.05 . 1 . . . . 106 ASN HD21 . 15348 1 1249 . 1 1 106 106 ASN HD22 H 1 6.837 0.05 . 1 . . . . 106 ASN HD22 . 15348 1 1250 . 1 1 106 106 ASN C C 13 173.594 0.2 . 1 . . . . 106 ASN C . 15348 1 1251 . 1 1 106 106 ASN CA C 13 53.337 0.080 . 1 . . . . 106 ASN CA . 15348 1 1252 . 1 1 106 106 ASN CB C 13 39.088 0.2 . 1 . . . . 106 ASN CB . 15348 1 1253 . 1 1 106 106 ASN N N 15 122.001 0.036 . 1 . . . . 106 ASN N . 15348 1 1254 . 1 1 106 106 ASN ND2 N 15 112.141 0.022 . 1 . . . . 106 ASN ND2 . 15348 1 1255 . 1 1 107 107 THR H H 1 8.090 0.015 . 1 . . . . 107 THR H . 15348 1 1256 . 1 1 107 107 THR HA H 1 4.348 0.017 . 1 . . . . 107 THR HA . 15348 1 1257 . 1 1 107 107 THR HB H 1 4.250 0.003 . 1 . . . . 107 THR HB . 15348 1 1258 . 1 1 107 107 THR HG21 H 1 1.215 0.005 . 1 . . . . 107 THR HG21 . 15348 1 1259 . 1 1 107 107 THR HG22 H 1 1.215 0.005 . 1 . . . . 107 THR HG22 . 15348 1 1260 . 1 1 107 107 THR HG23 H 1 1.215 0.005 . 1 . . . . 107 THR HG23 . 15348 1 1261 . 1 1 107 107 THR C C 13 172.516 0.2 . 1 . . . . 107 THR C . 15348 1 1262 . 1 1 107 107 THR CA C 13 61.803 0.081 . 1 . . . . 107 THR CA . 15348 1 1263 . 1 1 107 107 THR CB C 13 69.812 0.124 . 1 . . . . 107 THR CB . 15348 1 1264 . 1 1 107 107 THR CG2 C 13 21.795 0.2 . 1 . . . . 107 THR CG2 . 15348 1 1265 . 1 1 107 107 THR N N 15 114.374 0.061 . 1 . . . . 107 THR N . 15348 1 1266 . 1 1 108 108 ARG H H 1 8.322 0.001 . 1 . . . . 108 ARG H . 15348 1 1267 . 1 1 108 108 ARG HA H 1 4.634 0.015 . 1 . . . . 108 ARG HA . 15348 1 1268 . 1 1 108 108 ARG HB2 H 1 1.777 0.001 . 1 . . . . 108 ARG HB2 . 15348 1 1269 . 1 1 108 108 ARG HB3 H 1 1.777 0.001 . 1 . . . . 108 ARG HB3 . 15348 1 1270 . 1 1 108 108 ARG HD2 H 1 3.231 0.05 . 1 . . . . 108 ARG HD2 . 15348 1 1271 . 1 1 108 108 ARG HD3 H 1 3.231 0.05 . 1 . . . . 108 ARG HD3 . 15348 1 1272 . 1 1 108 108 ARG HG2 H 1 1.667 0.05 . 1 . . . . 108 ARG HG2 . 15348 1 1273 . 1 1 108 108 ARG HG3 H 1 1.667 0.05 . 1 . . . . 108 ARG HG3 . 15348 1 1274 . 1 1 108 108 ARG C C 13 172.608 0.2 . 1 . . . . 108 ARG C . 15348 1 1275 . 1 1 108 108 ARG CA C 13 54.026 0.048 . 1 . . . . 108 ARG CA . 15348 1 1276 . 1 1 108 108 ARG CB C 13 30.246 0.013 . 1 . . . . 108 ARG CB . 15348 1 1277 . 1 1 108 108 ARG CD C 13 43.209 0.2 . 1 . . . . 108 ARG CD . 15348 1 1278 . 1 1 108 108 ARG N N 15 124.017 0.034 . 1 . . . . 108 ARG N . 15348 1 1279 . 1 1 109 109 PRO HA H 1 4.354 0.007 . 1 . . . . 109 PRO HA . 15348 1 1280 . 1 1 109 109 PRO HB2 H 1 1.720 0.004 . 2 . . . . 109 PRO HB2 . 15348 1 1281 . 1 1 109 109 PRO HB3 H 1 2.162 0.006 . 2 . . . . 109 PRO HB3 . 15348 1 1282 . 1 1 109 109 PRO HD2 H 1 3.716 0.007 . 1 . . . . 109 PRO HD2 . 15348 1 1283 . 1 1 109 109 PRO HD3 H 1 3.716 0.002 . 1 . . . . 109 PRO HD3 . 15348 1 1284 . 1 1 109 109 PRO HG2 H 1 1.850 0.006 . 1 . . . . 109 PRO HG2 . 15348 1 1285 . 1 1 109 109 PRO HG3 H 1 1.850 0.006 . 1 . . . . 109 PRO HG3 . 15348 1 1286 . 1 1 109 109 PRO C C 13 174.978 0.2 . 1 . . . . 109 PRO C . 15348 1 1287 . 1 1 109 109 PRO CA C 13 63.396 0.048 . 1 . . . . 109 PRO CA . 15348 1 1288 . 1 1 109 109 PRO CB C 13 32.046 0.001 . 1 . . . . 109 PRO CB . 15348 1 1289 . 1 1 109 109 PRO CD C 13 50.514 0.011 . 1 . . . . 109 PRO CD . 15348 1 1290 . 1 1 110 110 PHE H H 1 8.123 0.002 . 1 . . . . 110 PHE H . 15348 1 1291 . 1 1 110 110 PHE HA H 1 4.619 0.005 . 1 . . . . 110 PHE HA . 15348 1 1292 . 1 1 110 110 PHE HB2 H 1 3.180 0.003 . 2 . . . . 110 PHE HB2 . 15348 1 1293 . 1 1 110 110 PHE HB3 H 1 3.055 0.012 . 2 . . . . 110 PHE HB3 . 15348 1 1294 . 1 1 110 110 PHE HD1 H 1 7.281 0.001 . 3 . . . . 110 PHE HD1 . 15348 1 1295 . 1 1 110 110 PHE HD2 H 1 7.281 0.001 . 3 . . . . 110 PHE HD2 . 15348 1 1296 . 1 1 110 110 PHE C C 13 173.856 0.2 . 1 . . . . 110 PHE C . 15348 1 1297 . 1 1 110 110 PHE CA C 13 57.353 0.2 . 1 . . . . 110 PHE CA . 15348 1 1298 . 1 1 110 110 PHE CB C 13 39.364 0.081 . 1 . . . . 110 PHE CB . 15348 1 1299 . 1 1 110 110 PHE CD1 C 13 131.458 0.2 . 3 . . . . 110 PHE CD1 . 15348 1 1300 . 1 1 110 110 PHE CD2 C 13 131.458 0.2 . 3 . . . . 110 PHE CD2 . 15348 1 1301 . 1 1 110 110 PHE N N 15 119.265 0.078 . 1 . . . . 110 PHE N . 15348 1 1302 . 1 1 111 111 ASP H H 1 8.161 0.004 . 1 . . . . 111 ASP H . 15348 1 1303 . 1 1 111 111 ASP HA H 1 4.613 0.007 . 1 . . . . 111 ASP HA . 15348 1 1304 . 1 1 111 111 ASP HB2 H 1 2.575 0.05 . 2 . . . . 111 ASP HB2 . 15348 1 1305 . 1 1 111 111 ASP HB3 H 1 2.720 0.008 . 2 . . . . 111 ASP HB3 . 15348 1 1306 . 1 1 111 111 ASP C C 13 174.114 0.2 . 1 . . . . 111 ASP C . 15348 1 1307 . 1 1 111 111 ASP CA C 13 54.350 0.015 . 1 . . . . 111 ASP CA . 15348 1 1308 . 1 1 111 111 ASP CB C 13 41.413 0.2 . 1 . . . . 111 ASP CB . 15348 1 1309 . 1 1 111 111 ASP N N 15 121.764 0.056 . 1 . . . . 111 ASP N . 15348 1 1310 . 1 1 112 112 ASN H H 1 8.307 0.001 . 1 . . . . 112 ASN H . 15348 1 1311 . 1 1 112 112 ASN HA H 1 4.662 0.015 . 1 . . . . 112 ASN HA . 15348 1 1312 . 1 1 112 112 ASN HB2 H 1 2.735 0.05 . 2 . . . . 112 ASN HB2 . 15348 1 1313 . 1 1 112 112 ASN HB3 H 1 2.885 0.05 . 2 . . . . 112 ASN HB3 . 15348 1 1314 . 1 1 112 112 ASN HD21 H 1 7.601 0.05 . 1 . . . . 112 ASN HD21 . 15348 1 1315 . 1 1 112 112 ASN HD22 H 1 6.912 0.05 . 1 . . . . 112 ASN HD22 . 15348 1 1316 . 1 1 112 112 ASN C C 13 173.595 0.2 . 1 . . . . 112 ASN C . 15348 1 1317 . 1 1 112 112 ASN CA C 13 53.486 0.2 . 1 . . . . 112 ASN CA . 15348 1 1318 . 1 1 112 112 ASN CB C 13 39.225 0.2 . 1 . . . . 112 ASN CB . 15348 1 1319 . 1 1 112 112 ASN N N 15 119.154 0.022 . 1 . . . . 112 ASN N . 15348 1 1320 . 1 1 112 112 ASN ND2 N 15 112.824 0.001 . 1 . . . . 112 ASN ND2 . 15348 1 1321 . 1 1 113 113 GLU H H 1 8.404 0.004 . 1 . . . . 113 GLU H . 15348 1 1322 . 1 1 113 113 GLU HA H 1 4.264 0.015 . 1 . . . . 113 GLU HA . 15348 1 1323 . 1 1 113 113 GLU HB2 H 1 1.960 0.010 . 2 . . . . 113 GLU HB2 . 15348 1 1324 . 1 1 113 113 GLU HB3 H 1 2.087 0.019 . 2 . . . . 113 GLU HB3 . 15348 1 1325 . 1 1 113 113 GLU HG2 H 1 2.268 0.007 . 1 . . . . 113 GLU HG2 . 15348 1 1326 . 1 1 113 113 GLU HG3 H 1 2.268 0.007 . 1 . . . . 113 GLU HG3 . 15348 1 1327 . 1 1 113 113 GLU C C 13 174.886 0.2 . 1 . . . . 113 GLU C . 15348 1 1328 . 1 1 113 113 GLU CA C 13 56.681 0.080 . 1 . . . . 113 GLU CA . 15348 1 1329 . 1 1 113 113 GLU CB C 13 30.403 0.2 . 1 . . . . 113 GLU CB . 15348 1 1330 . 1 1 113 113 GLU CG C 13 36.536 0.2 . 1 . . . . 113 GLU CG . 15348 1 1331 . 1 1 113 113 GLU N N 15 120.943 0.011 . 1 . . . . 113 GLU N . 15348 1 1332 . 1 1 114 114 GLU H H 1 8.388 0.004 . 1 . . . . 114 GLU H . 15348 1 1333 . 1 1 114 114 GLU HA H 1 4.262 0.006 . 1 . . . . 114 GLU HA . 15348 1 1334 . 1 1 114 114 GLU HB2 H 1 2.011 0.05 . 1 . . . . 114 GLU HB2 . 15348 1 1335 . 1 1 114 114 GLU HB3 H 1 2.011 0.05 . 1 . . . . 114 GLU HB3 . 15348 1 1336 . 1 1 114 114 GLU HG2 H 1 2.271 0.05 . 1 . . . . 114 GLU HG2 . 15348 1 1337 . 1 1 114 114 GLU HG3 H 1 2.271 0.05 . 1 . . . . 114 GLU HG3 . 15348 1 1338 . 1 1 114 114 GLU C C 13 174.819 0.2 . 1 . . . . 114 GLU C . 15348 1 1339 . 1 1 114 114 GLU CA C 13 56.769 0.2 . 1 . . . . 114 GLU CA . 15348 1 1340 . 1 1 114 114 GLU CB C 13 30.125 0.2 . 1 . . . . 114 GLU CB . 15348 1 1341 . 1 1 114 114 GLU CG C 13 36.439 0.2 . 1 . . . . 114 GLU CG . 15348 1 1342 . 1 1 114 114 GLU N N 15 121.869 0.070 . 1 . . . . 114 GLU N . 15348 1 1343 . 1 1 115 115 LYS H H 1 8.236 0.005 . 1 . . . . 115 LYS H . 15348 1 1344 . 1 1 115 115 LYS HA H 1 4.347 0.005 . 1 . . . . 115 LYS HA . 15348 1 1345 . 1 1 115 115 LYS HB2 H 1 1.832 0.009 . 1 . . . . 115 LYS HB2 . 15348 1 1346 . 1 1 115 115 LYS HB3 H 1 1.832 0.009 . 1 . . . . 115 LYS HB3 . 15348 1 1347 . 1 1 115 115 LYS HD2 H 1 1.689 0.008 . 1 . . . . 115 LYS HD2 . 15348 1 1348 . 1 1 115 115 LYS HD3 H 1 1.689 0.008 . 1 . . . . 115 LYS HD3 . 15348 1 1349 . 1 1 115 115 LYS HE2 H 1 3.011 0.014 . 1 . . . . 115 LYS HE2 . 15348 1 1350 . 1 1 115 115 LYS HE3 H 1 3.011 0.014 . 1 . . . . 115 LYS HE3 . 15348 1 1351 . 1 1 115 115 LYS HG2 H 1 1.443 0.006 . 1 . . . . 115 LYS HG2 . 15348 1 1352 . 1 1 115 115 LYS HG3 H 1 1.443 0.006 . 1 . . . . 115 LYS HG3 . 15348 1 1353 . 1 1 115 115 LYS C C 13 174.633 0.2 . 1 . . . . 115 LYS C . 15348 1 1354 . 1 1 115 115 LYS CA C 13 56.426 0.101 . 1 . . . . 115 LYS CA . 15348 1 1355 . 1 1 115 115 LYS CB C 13 33.277 0.045 . 1 . . . . 115 LYS CB . 15348 1 1356 . 1 1 115 115 LYS CD C 13 28.978 0.2 . 1 . . . . 115 LYS CD . 15348 1 1357 . 1 1 115 115 LYS CE C 13 41.919 0.2 . 1 . . . . 115 LYS CE . 15348 1 1358 . 1 1 115 115 LYS CG C 13 24.605 0.2 . 1 . . . . 115 LYS CG . 15348 1 1359 . 1 1 115 115 LYS N N 15 121.997 0.023 . 1 . . . . 115 LYS N . 15348 1 1360 . 1 1 116 116 ASP H H 1 8.386 0.004 . 1 . . . . 116 ASP H . 15348 1 1361 . 1 1 116 116 ASP HA H 1 4.600 0.014 . 1 . . . . 116 ASP HA . 15348 1 1362 . 1 1 116 116 ASP HB2 H 1 2.618 0.05 . 2 . . . . 116 ASP HB2 . 15348 1 1363 . 1 1 116 116 ASP HB3 H 1 2.762 0.05 . 2 . . . . 116 ASP HB3 . 15348 1 1364 . 1 1 116 116 ASP C C 13 173.448 0.2 . 1 . . . . 116 ASP C . 15348 1 1365 . 1 1 116 116 ASP CA C 13 54.773 0.2 . 1 . . . . 116 ASP CA . 15348 1 1366 . 1 1 116 116 ASP CB C 13 41.029 0.016 . 1 . . . . 116 ASP CB . 15348 1 1367 . 1 1 116 116 ASP N N 15 121.057 0.042 . 1 . . . . 116 ASP N . 15348 1 1368 . 1 1 117 117 LYS H H 1 7.739 0.008 . 1 . . . . 117 LYS H . 15348 1 1369 . 1 1 117 117 LYS HA H 1 4.158 0.006 . 1 . . . . 117 LYS HA . 15348 1 1370 . 1 1 117 117 LYS HB2 H 1 1.727 0.05 . 2 . . . . 117 LYS HB2 . 15348 1 1371 . 1 1 117 117 LYS HB3 H 1 1.835 0.05 . 2 . . . . 117 LYS HB3 . 15348 1 1372 . 1 1 117 117 LYS HD2 H 1 1.688 0.05 . 1 . . . . 117 LYS HD2 . 15348 1 1373 . 1 1 117 117 LYS HD3 H 1 1.688 0.05 . 1 . . . . 117 LYS HD3 . 15348 1 1374 . 1 1 117 117 LYS HE2 H 1 3.014 0.05 . 1 . . . . 117 LYS HE2 . 15348 1 1375 . 1 1 117 117 LYS HE3 H 1 3.014 0.05 . 1 . . . . 117 LYS HE3 . 15348 1 1376 . 1 1 117 117 LYS HG2 H 1 1.403 0.05 . 1 . . . . 117 LYS HG2 . 15348 1 1377 . 1 1 117 117 LYS HG3 H 1 1.403 0.05 . 1 . . . . 117 LYS HG3 . 15348 1 1378 . 1 1 117 117 LYS C C 13 179.650 0.2 . 1 . . . . 117 LYS C . 15348 1 1379 . 1 1 117 117 LYS CA C 13 57.706 0.2 . 1 . . . . 117 LYS CA . 15348 1 1380 . 1 1 117 117 LYS CB C 13 33.232 0.2 . 1 . . . . 117 LYS CB . 15348 1 1381 . 1 1 117 117 LYS CD C 13 28.978 0.2 . 1 . . . . 117 LYS CD . 15348 1 1382 . 1 1 117 117 LYS CE C 13 41.919 0.2 . 1 . . . . 117 LYS CE . 15348 1 1383 . 1 1 117 117 LYS CG C 13 24.605 0.2 . 1 . . . . 117 LYS CG . 15348 1 1384 . 1 1 117 117 LYS N N 15 125.656 0.015 . 1 . . . . 117 LYS N . 15348 1 stop_ save_