data_16558 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16558 _Entry.Title ; MAGI-1 PDZ1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-16 _Entry.Accession_date 2009-10-16 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sebastian Charbonier . . . 16558 2 Yves Nomine . . . 16558 3 Juan Ramirez . . . 16558 4 Katja Luck . . . 16558 5 Roland Stote . H. . 16558 6 Gilles Trave . . . 16558 7 Bruno Kieffer . . . 16558 8 Robert Atkinson . A. . 16558 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16558 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . IGBMC . 16558 2 . ESBS . 16558 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PDZ domain' . 16558 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16558 spectral_density_values 1 16558 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 555 16558 '15N chemical shifts' 125 16558 '1H chemical shifts' 889 16558 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-09 2009-10-16 original author . 16558 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16559 'MAGI-1 PDZ1 / E6CT' 16558 PDB 2KPK 'BMRB Entry Tracking System' 16558 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16558 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16636753 _Citation.Full_citation . _Citation.Title '3C, 15N and 1H resonance assignment of the PDZ1 domain of MAGI-1 using QUASI.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _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 33 _Citation.Page_last 33 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Charbonier . . . 16558 1 2 Marie-Aude Coutouly . . . 16558 1 3 Bruno Kieffer . . . 16558 1 4 Gilles Trave . . . 16558 1 5 Robert Atkinson . A. . 16558 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 16558 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21238461 _Citation.Full_citation . _Citation.Title 'The Structural and Dynamic Response of MAGI-1 PDZ1 with Noncanonical Domain Boundaries to the Binding of Human Papillomavirus E6' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 406 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 745 _Citation.Page_last 763 _Citation.Year 2011 _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 Sebastian Charbonier . . . 16558 2 2 Yves Nomine . . . 16558 2 3 Juan Ramirez . . . 16558 2 4 Katja Luck . . . 16558 2 5 Anne Chapelle . . . 16558 2 6 Roland Stote . H. . 16558 2 7 Gilles Trave . . . 16558 2 8 Bruno Kieffer . . . 16558 2 9 Robert Atkinson . A. . 16558 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16558 _Assembly.ID 1 _Assembly.Name 'MAGI-1 PDZ1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'MAGI-1 PDZ1' 1 $MAGI-1_PDZ1 A . yes native no no . . . 16558 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAGI-1_PDZ1 _Entity.Sf_category entity _Entity.Sf_framecode MAGI-1_PDZ1 _Entity.Entry_ID 16558 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MAGI-1_PDZ1 _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 ; GAMGKPFFTRNPSELKGKFI HTKLRKSSRGFGFTVVGGDE PDEFLQIKSLVLDGPAALDG KMETGDVIVSVNDTCVLGHT HAQVVKIFQSIPIGASVDLE LCRGYPLPFDPDDPNTSLVT SVAILDKEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13871.942 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16559 . MAGI-1_PDZ1 . . . . . 100.00 129 100.00 100.00 1.16e-86 . . . . 16558 1 2 no PDB 2I04 . "X-Ray Crystal Structure Of Magi-1 Pdz1 Bound To The C- Terminal Peptide Of Hpv18 E6" . . . . . 65.12 85 100.00 100.00 1.26e-51 . . . . 16558 1 3 no PDB 2KPK . "Magi-1 Pdz1" . . . . . 100.00 129 100.00 100.00 1.16e-86 . . . . 16558 1 4 no PDB 2KPL . "Magi-1 Pdz1 E6CT" . . . . . 100.00 129 100.00 100.00 1.16e-86 . . . . 16558 1 5 no REF XP_006108887 . "PREDICTED: membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1-like, partial [Myotis lucifugus]" . . . . . 98.45 241 99.21 99.21 7.41e-84 . . . . 16558 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 -3 GLY . 16558 1 2 -2 ALA . 16558 1 3 -1 MET . 16558 1 4 0 GLY . 16558 1 5 1 LYS . 16558 1 6 2 PRO . 16558 1 7 3 PHE . 16558 1 8 4 PHE . 16558 1 9 5 THR . 16558 1 10 6 ARG . 16558 1 11 7 ASN . 16558 1 12 8 PRO . 16558 1 13 9 SER . 16558 1 14 10 GLU . 16558 1 15 11 LEU . 16558 1 16 12 LYS . 16558 1 17 13 GLY . 16558 1 18 14 LYS . 16558 1 19 15 PHE . 16558 1 20 16 ILE . 16558 1 21 17 HIS . 16558 1 22 18 THR . 16558 1 23 19 LYS . 16558 1 24 20 LEU . 16558 1 25 21 ARG . 16558 1 26 22 LYS . 16558 1 27 23 SER . 16558 1 28 24 SER . 16558 1 29 25 ARG . 16558 1 30 26 GLY . 16558 1 31 27 PHE . 16558 1 32 28 GLY . 16558 1 33 29 PHE . 16558 1 34 30 THR . 16558 1 35 31 VAL . 16558 1 36 32 VAL . 16558 1 37 33 GLY . 16558 1 38 34 GLY . 16558 1 39 35 ASP . 16558 1 40 36 GLU . 16558 1 41 37 PRO . 16558 1 42 38 ASP . 16558 1 43 39 GLU . 16558 1 44 40 PHE . 16558 1 45 41 LEU . 16558 1 46 42 GLN . 16558 1 47 43 ILE . 16558 1 48 44 LYS . 16558 1 49 45 SER . 16558 1 50 46 LEU . 16558 1 51 47 VAL . 16558 1 52 48 LEU . 16558 1 53 49 ASP . 16558 1 54 50 GLY . 16558 1 55 51 PRO . 16558 1 56 52 ALA . 16558 1 57 53 ALA . 16558 1 58 54 LEU . 16558 1 59 55 ASP . 16558 1 60 56 GLY . 16558 1 61 57 LYS . 16558 1 62 58 MET . 16558 1 63 59 GLU . 16558 1 64 60 THR . 16558 1 65 61 GLY . 16558 1 66 62 ASP . 16558 1 67 63 VAL . 16558 1 68 64 ILE . 16558 1 69 65 VAL . 16558 1 70 66 SER . 16558 1 71 67 VAL . 16558 1 72 68 ASN . 16558 1 73 69 ASP . 16558 1 74 70 THR . 16558 1 75 71 CYS . 16558 1 76 72 VAL . 16558 1 77 73 LEU . 16558 1 78 74 GLY . 16558 1 79 75 HIS . 16558 1 80 76 THR . 16558 1 81 77 HIS . 16558 1 82 78 ALA . 16558 1 83 79 GLN . 16558 1 84 80 VAL . 16558 1 85 81 VAL . 16558 1 86 82 LYS . 16558 1 87 83 ILE . 16558 1 88 84 PHE . 16558 1 89 85 GLN . 16558 1 90 86 SER . 16558 1 91 87 ILE . 16558 1 92 88 PRO . 16558 1 93 89 ILE . 16558 1 94 90 GLY . 16558 1 95 91 ALA . 16558 1 96 92 SER . 16558 1 97 93 VAL . 16558 1 98 94 ASP . 16558 1 99 95 LEU . 16558 1 100 96 GLU . 16558 1 101 97 LEU . 16558 1 102 98 CYS . 16558 1 103 99 ARG . 16558 1 104 100 GLY . 16558 1 105 101 TYR . 16558 1 106 102 PRO . 16558 1 107 103 LEU . 16558 1 108 104 PRO . 16558 1 109 105 PHE . 16558 1 110 106 ASP . 16558 1 111 107 PRO . 16558 1 112 108 ASP . 16558 1 113 109 ASP . 16558 1 114 110 PRO . 16558 1 115 111 ASN . 16558 1 116 112 THR . 16558 1 117 113 SER . 16558 1 118 114 LEU . 16558 1 119 115 VAL . 16558 1 120 116 THR . 16558 1 121 117 SER . 16558 1 122 118 VAL . 16558 1 123 119 ALA . 16558 1 124 120 ILE . 16558 1 125 121 LEU . 16558 1 126 122 ASP . 16558 1 127 123 LYS . 16558 1 128 124 GLU . 16558 1 129 125 PRO . 16558 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16558 1 . ALA 2 2 16558 1 . MET 3 3 16558 1 . GLY 4 4 16558 1 . LYS 5 5 16558 1 . PRO 6 6 16558 1 . PHE 7 7 16558 1 . PHE 8 8 16558 1 . THR 9 9 16558 1 . ARG 10 10 16558 1 . ASN 11 11 16558 1 . PRO 12 12 16558 1 . SER 13 13 16558 1 . GLU 14 14 16558 1 . LEU 15 15 16558 1 . LYS 16 16 16558 1 . GLY 17 17 16558 1 . LYS 18 18 16558 1 . PHE 19 19 16558 1 . ILE 20 20 16558 1 . HIS 21 21 16558 1 . THR 22 22 16558 1 . LYS 23 23 16558 1 . LEU 24 24 16558 1 . ARG 25 25 16558 1 . LYS 26 26 16558 1 . SER 27 27 16558 1 . SER 28 28 16558 1 . ARG 29 29 16558 1 . GLY 30 30 16558 1 . PHE 31 31 16558 1 . GLY 32 32 16558 1 . PHE 33 33 16558 1 . THR 34 34 16558 1 . VAL 35 35 16558 1 . VAL 36 36 16558 1 . GLY 37 37 16558 1 . GLY 38 38 16558 1 . ASP 39 39 16558 1 . GLU 40 40 16558 1 . PRO 41 41 16558 1 . ASP 42 42 16558 1 . GLU 43 43 16558 1 . PHE 44 44 16558 1 . LEU 45 45 16558 1 . GLN 46 46 16558 1 . ILE 47 47 16558 1 . LYS 48 48 16558 1 . SER 49 49 16558 1 . LEU 50 50 16558 1 . VAL 51 51 16558 1 . LEU 52 52 16558 1 . ASP 53 53 16558 1 . GLY 54 54 16558 1 . PRO 55 55 16558 1 . ALA 56 56 16558 1 . ALA 57 57 16558 1 . LEU 58 58 16558 1 . ASP 59 59 16558 1 . GLY 60 60 16558 1 . LYS 61 61 16558 1 . MET 62 62 16558 1 . GLU 63 63 16558 1 . THR 64 64 16558 1 . GLY 65 65 16558 1 . ASP 66 66 16558 1 . VAL 67 67 16558 1 . ILE 68 68 16558 1 . VAL 69 69 16558 1 . SER 70 70 16558 1 . VAL 71 71 16558 1 . ASN 72 72 16558 1 . ASP 73 73 16558 1 . THR 74 74 16558 1 . CYS 75 75 16558 1 . VAL 76 76 16558 1 . LEU 77 77 16558 1 . GLY 78 78 16558 1 . HIS 79 79 16558 1 . THR 80 80 16558 1 . HIS 81 81 16558 1 . ALA 82 82 16558 1 . GLN 83 83 16558 1 . VAL 84 84 16558 1 . VAL 85 85 16558 1 . LYS 86 86 16558 1 . ILE 87 87 16558 1 . PHE 88 88 16558 1 . GLN 89 89 16558 1 . SER 90 90 16558 1 . ILE 91 91 16558 1 . PRO 92 92 16558 1 . ILE 93 93 16558 1 . GLY 94 94 16558 1 . ALA 95 95 16558 1 . SER 96 96 16558 1 . VAL 97 97 16558 1 . ASP 98 98 16558 1 . LEU 99 99 16558 1 . GLU 100 100 16558 1 . LEU 101 101 16558 1 . CYS 102 102 16558 1 . ARG 103 103 16558 1 . GLY 104 104 16558 1 . TYR 105 105 16558 1 . PRO 106 106 16558 1 . LEU 107 107 16558 1 . PRO 108 108 16558 1 . PHE 109 109 16558 1 . ASP 110 110 16558 1 . PRO 111 111 16558 1 . ASP 112 112 16558 1 . ASP 113 113 16558 1 . PRO 114 114 16558 1 . ASN 115 115 16558 1 . THR 116 116 16558 1 . SER 117 117 16558 1 . LEU 118 118 16558 1 . VAL 119 119 16558 1 . THR 120 120 16558 1 . SER 121 121 16558 1 . VAL 122 122 16558 1 . ALA 123 123 16558 1 . ILE 124 124 16558 1 . LEU 125 125 16558 1 . ASP 126 126 16558 1 . LYS 127 127 16558 1 . GLU 128 128 16558 1 . PRO 129 129 16558 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 16558 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MAGI-1_PDZ1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16558 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 16558 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MAGI-1_PDZ1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM-41 . . . . . . 16558 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Unlabelled _Sample.Sf_category sample _Sample.Sf_framecode Unlabelled _Sample.Entry_ID 16558 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MAGI-1 PDZ1' 'natural abundance' . . 1 $MAGI-1_PDZ1 . . . 0.2 0.6 mM . . . . 16558 1 2 'sodium phosphate' 'natural abundance' . . . . . . . 0.02 0.10 mM . . . . 16558 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16558 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16558 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16558 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16558 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 16558 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MAGI-1 PDZ1' [U-15N] . . 1 $MAGI-1_PDZ1 . . . 0.2 0.6 mM . . . . 16558 2 2 'sodium phosphate' 'natural abundance' . . . . . . . 0.02 0.10 mM . . . . 16558 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16558 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16558 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16558 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16558 2 stop_ save_ save_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N _Sample.Entry_ID 16558 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MAGI-1 PDZ1' '[U-100% 13C; U-100% 15N]' . . 1 $MAGI-1_PDZ1 . . . 0.2 0.6 mM . . . . 16558 3 2 'sodium phosphate' 'natural abundance' . . . . . . . 0.02 0.10 mM . . . . 16558 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16558 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16558 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16558 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16558 3 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 16558 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 16558 1 pressure 1 . atm 16558 1 temperature 295 . K 16558 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16558 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16558 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16558 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16558 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16558 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16558 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16558 _Software.ID 3 _Software.Name XEASY _Software.Version CARA _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16558 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16558 3 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 16558 _Software.ID 4 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16558 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16558 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16558 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16558 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16558 5 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 16558 _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 16558 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16558 _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 . . . 16558 1 2 spectrometer_2 Bruker DRX . 800 . . . 16558 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 16558 _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 HN(CO)CA' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 2 '3D HNCA' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 4 '3D HNCACB' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 5 '3D HNCO' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 7 '3D HCCH-COSY' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $Unlabelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16558 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $Unlabelled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16558 1 13 '2D 15N T1' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 14 '2D 15N T2' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 1 15 '2D 1H-15N NOE' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16558 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 16558 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16558 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16558 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16558 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 16558 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HN(CO)CA' . . . 16558 1 2 '3D HNCA' . . . 16558 1 3 '3D HN(CO)CACB' . . . 16558 1 4 '3D HNCACB' . . . 16558 1 5 '3D HNCO' . . . 16558 1 6 '3D HCCH-TOCSY' . . . 16558 1 7 '3D HCCH-COSY' . . . 16558 1 11 '2D 1H-1H TOCSY' . . . 16558 1 12 '2D 1H-1H NOESY' . . . 16558 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 GLY HA2 H 1 3.835 0.020 . 1 . . . . -3 GLY HA2 . 16558 1 2 . 1 1 1 1 GLY HA3 H 1 3.835 0.020 . 1 . . . . -3 GLY HA3 . 16558 1 3 . 1 1 1 1 GLY CA C 13 43.553 0.3 . 1 . . . . -3 GLY CA . 16558 1 4 . 1 1 2 2 ALA HA H 1 4.354 0.020 . 1 . . . . -2 ALA HA . 16558 1 5 . 1 1 2 2 ALA HB1 H 1 1.403 0.020 . 1 . . . . -2 ALA HB . 16558 1 6 . 1 1 2 2 ALA HB2 H 1 1.403 0.020 . 1 . . . . -2 ALA HB . 16558 1 7 . 1 1 2 2 ALA HB3 H 1 1.403 0.020 . 1 . . . . -2 ALA HB . 16558 1 8 . 1 1 2 2 ALA C C 13 177.887 0.3 . 1 . . . . -2 ALA C . 16558 1 9 . 1 1 2 2 ALA CA C 13 52.052 0.3 . 1 . . . . -2 ALA CA . 16558 1 10 . 1 1 2 2 ALA CB C 13 19.305 0.3 . 1 . . . . -2 ALA CB . 16558 1 11 . 1 1 3 3 MET H H 1 8.567 0.020 . 1 . . . . -1 MET H . 16558 1 12 . 1 1 3 3 MET HA H 1 4.508 0.020 . 1 . . . . -1 MET HA . 16558 1 13 . 1 1 3 3 MET HB2 H 1 2.123 0.020 . 2 . . . . -1 MET HB2 . 16558 1 14 . 1 1 3 3 MET HB3 H 1 2.035 0.020 . 2 . . . . -1 MET HB3 . 16558 1 15 . 1 1 3 3 MET HE1 H 1 2.106 0.020 . 1 . . . . -1 MET HE . 16558 1 16 . 1 1 3 3 MET HE2 H 1 2.106 0.020 . 1 . . . . -1 MET HE . 16558 1 17 . 1 1 3 3 MET HE3 H 1 2.106 0.020 . 1 . . . . -1 MET HE . 16558 1 18 . 1 1 3 3 MET HG2 H 1 2.639 0.020 . 2 . . . . -1 MET HG2 . 16558 1 19 . 1 1 3 3 MET HG3 H 1 2.568 0.020 . 2 . . . . -1 MET HG3 . 16558 1 20 . 1 1 3 3 MET C C 13 176.679 0.3 . 1 . . . . -1 MET C . 16558 1 21 . 1 1 3 3 MET CA C 13 55.467 0.3 . 1 . . . . -1 MET CA . 16558 1 22 . 1 1 3 3 MET CB C 13 32.727 0.3 . 1 . . . . -1 MET CB . 16558 1 23 . 1 1 3 3 MET CE C 13 16.806 0.3 . 1 . . . . -1 MET CE . 16558 1 24 . 1 1 3 3 MET CG C 13 31.804 0.3 . 1 . . . . -1 MET CG . 16558 1 25 . 1 1 3 3 MET N N 15 120.399 0.3 . 1 . . . . -1 MET N . 16558 1 26 . 1 1 4 4 GLY H H 1 8.432 0.020 . 1 . . . . 0 GLY H . 16558 1 27 . 1 1 4 4 GLY HA2 H 1 3.968 0.020 . 1 . . . . 0 GLY HA2 . 16558 1 28 . 1 1 4 4 GLY HA3 H 1 3.968 0.020 . 1 . . . . 0 GLY HA3 . 16558 1 29 . 1 1 4 4 GLY C C 13 173.573 0.3 . 1 . . . . 0 GLY C . 16558 1 30 . 1 1 4 4 GLY CA C 13 44.966 0.3 . 1 . . . . 0 GLY CA . 16558 1 31 . 1 1 4 4 GLY N N 15 110.935 0.3 . 1 . . . . 0 GLY N . 16558 1 32 . 1 1 5 5 LYS H H 1 8.188 0.020 . 1 . . . . 1 LYS H . 16558 1 33 . 1 1 5 5 LYS HA H 1 4.360 0.020 . 1 . . . . 1 LYS HA . 16558 1 34 . 1 1 5 5 LYS HB2 H 1 1.591 0.020 . 1 . . . . 1 LYS HB2 . 16558 1 35 . 1 1 5 5 LYS HB3 H 1 1.591 0.020 . 1 . . . . 1 LYS HB3 . 16558 1 36 . 1 1 5 5 LYS HD2 H 1 1.762 0.020 . 1 . . . . 1 LYS HD2 . 16558 1 37 . 1 1 5 5 LYS HD3 H 1 1.762 0.020 . 1 . . . . 1 LYS HD3 . 16558 1 38 . 1 1 5 5 LYS HE2 H 1 3.153 0.020 . 2 . . . . 1 LYS HE2 . 16558 1 39 . 1 1 5 5 LYS HE3 H 1 3.090 0.020 . 2 . . . . 1 LYS HE3 . 16558 1 40 . 1 1 5 5 LYS HG2 H 1 1.551 0.020 . 2 . . . . 1 LYS HG2 . 16558 1 41 . 1 1 5 5 LYS HG3 H 1 1.332 0.020 . 2 . . . . 1 LYS HG3 . 16558 1 42 . 1 1 5 5 LYS CA C 13 54.354 0.3 . 1 . . . . 1 LYS CA . 16558 1 43 . 1 1 5 5 LYS CB C 13 32.518 0.3 . 1 . . . . 1 LYS CB . 16558 1 44 . 1 1 5 5 LYS CD C 13 28.676 0.3 . 1 . . . . 1 LYS CD . 16558 1 45 . 1 1 5 5 LYS CE C 13 42.675 0.3 . 1 . . . . 1 LYS CE . 16558 1 46 . 1 1 5 5 LYS CG C 13 25.676 0.3 . 1 . . . . 1 LYS CG . 16558 1 47 . 1 1 5 5 LYS N N 15 122.909 0.3 . 1 . . . . 1 LYS N . 16558 1 48 . 1 1 6 6 PRO HA H 1 4.532 0.020 . 1 . . . . 2 PRO HA . 16558 1 49 . 1 1 6 6 PRO HB2 H 1 2.439 0.020 . 2 . . . . 2 PRO HB2 . 16558 1 50 . 1 1 6 6 PRO HB3 H 1 1.957 0.020 . 2 . . . . 2 PRO HB3 . 16558 1 51 . 1 1 6 6 PRO HD2 H 1 3.917 0.020 . 2 . . . . 2 PRO HD2 . 16558 1 52 . 1 1 6 6 PRO HD3 H 1 3.687 0.020 . 2 . . . . 2 PRO HD3 . 16558 1 53 . 1 1 6 6 PRO HG2 H 1 2.097 0.020 . 1 . . . . 2 PRO HG2 . 16558 1 54 . 1 1 6 6 PRO HG3 H 1 2.097 0.020 . 1 . . . . 2 PRO HG3 . 16558 1 55 . 1 1 6 6 PRO C C 13 176.110 0.3 . 1 . . . . 2 PRO C . 16558 1 56 . 1 1 6 6 PRO CA C 13 62.841 0.3 . 1 . . . . 2 PRO CA . 16558 1 57 . 1 1 6 6 PRO CB C 13 32.031 0.3 . 1 . . . . 2 PRO CB . 16558 1 58 . 1 1 6 6 PRO CD C 13 50.924 0.3 . 1 . . . . 2 PRO CD . 16558 1 59 . 1 1 6 6 PRO CG C 13 27.426 0.3 . 1 . . . . 2 PRO CG . 16558 1 60 . 1 1 7 7 PHE H H 1 8.447 0.020 . 1 . . . . 3 PHE H . 16558 1 61 . 1 1 7 7 PHE HA H 1 4.388 0.020 . 1 . . . . 3 PHE HA . 16558 1 62 . 1 1 7 7 PHE HB2 H 1 3.366 0.020 . 2 . . . . 3 PHE HB2 . 16558 1 63 . 1 1 7 7 PHE HB3 H 1 2.933 0.020 . 2 . . . . 3 PHE HB3 . 16558 1 64 . 1 1 7 7 PHE HD1 H 1 7.244 0.020 . 1 . . . . 3 PHE HD1 . 16558 1 65 . 1 1 7 7 PHE HD2 H 1 7.244 0.020 . 1 . . . . 3 PHE HD2 . 16558 1 66 . 1 1 7 7 PHE HE1 H 1 7.363 0.020 . 1 . . . . 3 PHE HE1 . 16558 1 67 . 1 1 7 7 PHE HE2 H 1 7.363 0.020 . 1 . . . . 3 PHE HE2 . 16558 1 68 . 1 1 7 7 PHE C C 13 173.521 0.3 . 1 . . . . 3 PHE C . 16558 1 69 . 1 1 7 7 PHE CA C 13 58.851 0.3 . 1 . . . . 3 PHE CA . 16558 1 70 . 1 1 7 7 PHE CB C 13 39.542 0.3 . 1 . . . . 3 PHE CB . 16558 1 71 . 1 1 7 7 PHE CD1 C 13 131.414 0.3 . 1 . . . . 3 PHE CD1 . 16558 1 72 . 1 1 7 7 PHE CD2 C 13 131.414 0.3 . 1 . . . . 3 PHE CD2 . 16558 1 73 . 1 1 7 7 PHE CE1 C 13 131.953 0.3 . 1 . . . . 3 PHE CE1 . 16558 1 74 . 1 1 7 7 PHE CE2 C 13 131.953 0.3 . 1 . . . . 3 PHE CE2 . 16558 1 75 . 1 1 7 7 PHE N N 15 122.322 0.3 . 1 . . . . 3 PHE N . 16558 1 76 . 1 1 8 8 PHE H H 1 7.133 0.020 . 1 . . . . 4 PHE H . 16558 1 77 . 1 1 8 8 PHE HA H 1 3.162 0.020 . 1 . . . . 4 PHE HA . 16558 1 78 . 1 1 8 8 PHE HB2 H 1 2.623 0.020 . 2 . . . . 4 PHE HB2 . 16558 1 79 . 1 1 8 8 PHE HB3 H 1 2.191 0.020 . 2 . . . . 4 PHE HB3 . 16558 1 80 . 1 1 8 8 PHE HD1 H 1 6.324 0.020 . 1 . . . . 4 PHE HD1 . 16558 1 81 . 1 1 8 8 PHE HD2 H 1 6.324 0.020 . 1 . . . . 4 PHE HD2 . 16558 1 82 . 1 1 8 8 PHE HE1 H 1 6.935 0.020 . 1 . . . . 4 PHE HE1 . 16558 1 83 . 1 1 8 8 PHE HE2 H 1 6.935 0.020 . 1 . . . . 4 PHE HE2 . 16558 1 84 . 1 1 8 8 PHE HZ H 1 6.742 0.020 . 1 . . . . 4 PHE HZ . 16558 1 85 . 1 1 8 8 PHE C C 13 172.755 0.3 . 1 . . . . 4 PHE C . 16558 1 86 . 1 1 8 8 PHE CA C 13 57.826 0.3 . 1 . . . . 4 PHE CA . 16558 1 87 . 1 1 8 8 PHE CB C 13 41.628 0.3 . 1 . . . . 4 PHE CB . 16558 1 88 . 1 1 8 8 PHE CD1 C 13 130.876 0.3 . 1 . . . . 4 PHE CD1 . 16558 1 89 . 1 1 8 8 PHE CD2 C 13 130.876 0.3 . 1 . . . . 4 PHE CD2 . 16558 1 90 . 1 1 8 8 PHE CE1 C 13 130.906 0.3 . 1 . . . . 4 PHE CE1 . 16558 1 91 . 1 1 8 8 PHE CE2 C 13 130.906 0.3 . 1 . . . . 4 PHE CE2 . 16558 1 92 . 1 1 8 8 PHE CZ C 13 129.170 0.3 . 1 . . . . 4 PHE CZ . 16558 1 93 . 1 1 8 8 PHE N N 15 125.366 0.3 . 1 . . . . 4 PHE N . 16558 1 94 . 1 1 9 9 THR H H 1 5.169 0.020 . 1 . . . . 5 THR H . 16558 1 95 . 1 1 9 9 THR HA H 1 3.812 0.020 . 1 . . . . 5 THR HA . 16558 1 96 . 1 1 9 9 THR HB H 1 3.971 0.020 . 1 . . . . 5 THR HB . 16558 1 97 . 1 1 9 9 THR HG21 H 1 0.923 0.020 . 1 . . . . 5 THR HG2 . 16558 1 98 . 1 1 9 9 THR HG22 H 1 0.923 0.020 . 1 . . . . 5 THR HG2 . 16558 1 99 . 1 1 9 9 THR HG23 H 1 0.923 0.020 . 1 . . . . 5 THR HG2 . 16558 1 100 . 1 1 9 9 THR C C 13 169.086 0.3 . 1 . . . . 5 THR C . 16558 1 101 . 1 1 9 9 THR CA C 13 59.156 0.3 . 1 . . . . 5 THR CA . 16558 1 102 . 1 1 9 9 THR CB C 13 68.263 0.3 . 1 . . . . 5 THR CB . 16558 1 103 . 1 1 9 9 THR CG2 C 13 19.927 0.3 . 1 . . . . 5 THR CG2 . 16558 1 104 . 1 1 9 9 THR N N 15 120.344 0.3 . 1 . . . . 5 THR N . 16558 1 105 . 1 1 10 10 ARG H H 1 7.864 0.020 . 1 . . . . 6 ARG H . 16558 1 106 . 1 1 10 10 ARG HA H 1 4.131 0.020 . 1 . . . . 6 ARG HA . 16558 1 107 . 1 1 10 10 ARG HB2 H 1 1.952 0.020 . 2 . . . . 6 ARG HB2 . 16558 1 108 . 1 1 10 10 ARG HB3 H 1 1.622 0.020 . 2 . . . . 6 ARG HB3 . 16558 1 109 . 1 1 10 10 ARG HD2 H 1 3.317 0.020 . 1 . . . . 6 ARG HD2 . 16558 1 110 . 1 1 10 10 ARG HD3 H 1 3.317 0.020 . 1 . . . . 6 ARG HD3 . 16558 1 111 . 1 1 10 10 ARG HE H 1 7.542 0.020 . 1 . . . . 6 ARG HE . 16558 1 112 . 1 1 10 10 ARG HG2 H 1 1.729 0.020 . 2 . . . . 6 ARG HG2 . 16558 1 113 . 1 1 10 10 ARG HG3 H 1 1.603 0.020 . 2 . . . . 6 ARG HG3 . 16558 1 114 . 1 1 10 10 ARG C C 13 175.281 0.3 . 1 . . . . 6 ARG C . 16558 1 115 . 1 1 10 10 ARG CA C 13 55.720 0.3 . 1 . . . . 6 ARG CA . 16558 1 116 . 1 1 10 10 ARG CB C 13 30.919 0.3 . 1 . . . . 6 ARG CB . 16558 1 117 . 1 1 10 10 ARG CD C 13 43.675 0.3 . 1 . . . . 6 ARG CD . 16558 1 118 . 1 1 10 10 ARG CG C 13 28.676 0.3 . 1 . . . . 6 ARG CG . 16558 1 119 . 1 1 10 10 ARG CZ C 13 159.776 0.3 . 1 . . . . 6 ARG CZ . 16558 1 120 . 1 1 10 10 ARG N N 15 120.434 0.3 . 1 . . . . 6 ARG N . 16558 1 121 . 1 1 10 10 ARG NE N 15 115.053 0.3 . 1 . . . . 6 ARG NE . 16558 1 122 . 1 1 11 11 ASN H H 1 8.576 0.020 . 1 . . . . 7 ASN H . 16558 1 123 . 1 1 11 11 ASN HA H 1 5.130 0.020 . 1 . . . . 7 ASN HA . 16558 1 124 . 1 1 11 11 ASN HB2 H 1 2.829 0.020 . 2 . . . . 7 ASN HB2 . 16558 1 125 . 1 1 11 11 ASN HB3 H 1 2.608 0.020 . 2 . . . . 7 ASN HB3 . 16558 1 126 . 1 1 11 11 ASN HD21 H 1 7.618 0.020 . 1 . . . . 7 ASN HD21 . 16558 1 127 . 1 1 11 11 ASN HD22 H 1 7.015 0.020 . 1 . . . . 7 ASN HD22 . 16558 1 128 . 1 1 11 11 ASN CA C 13 49.236 0.3 . 1 . . . . 7 ASN CA . 16558 1 129 . 1 1 11 11 ASN CB C 13 39.681 0.3 . 1 . . . . 7 ASN CB . 16558 1 130 . 1 1 11 11 ASN N N 15 121.589 0.3 . 1 . . . . 7 ASN N . 16558 1 131 . 1 1 11 11 ASN ND2 N 15 113.323 0.3 . 1 . . . . 7 ASN ND2 . 16558 1 132 . 1 1 12 12 PRO HA H 1 4.022 0.020 . 1 . . . . 8 PRO HA . 16558 1 133 . 1 1 12 12 PRO HB2 H 1 2.206 0.020 . 2 . . . . 8 PRO HB2 . 16558 1 134 . 1 1 12 12 PRO HB3 H 1 2.070 0.020 . 2 . . . . 8 PRO HB3 . 16558 1 135 . 1 1 12 12 PRO HD2 H 1 4.256 0.020 . 2 . . . . 8 PRO HD2 . 16558 1 136 . 1 1 12 12 PRO HD3 H 1 4.037 0.020 . 2 . . . . 8 PRO HD3 . 16558 1 137 . 1 1 12 12 PRO HG2 H 1 2.203 0.020 . 2 . . . . 8 PRO HG2 . 16558 1 138 . 1 1 12 12 PRO HG3 H 1 1.937 0.020 . 2 . . . . 8 PRO HG3 . 16558 1 139 . 1 1 12 12 PRO C C 13 178.059 0.3 . 1 . . . . 8 PRO C . 16558 1 140 . 1 1 12 12 PRO CA C 13 65.550 0.3 . 1 . . . . 8 PRO CA . 16558 1 141 . 1 1 12 12 PRO CD C 13 50.802 0.3 . 1 . . . . 8 PRO CD . 16558 1 142 . 1 1 12 12 PRO CG C 13 27.804 0.3 . 1 . . . . 8 PRO CG . 16558 1 143 . 1 1 13 13 SER H H 1 7.948 0.020 . 1 . . . . 9 SER H . 16558 1 144 . 1 1 13 13 SER HA H 1 4.299 0.020 . 1 . . . . 9 SER HA . 16558 1 145 . 1 1 13 13 SER HB2 H 1 3.920 0.020 . 1 . . . . 9 SER HB2 . 16558 1 146 . 1 1 13 13 SER HB3 H 1 3.920 0.020 . 1 . . . . 9 SER HB3 . 16558 1 147 . 1 1 13 13 SER C C 13 175.281 0.3 . 1 . . . . 9 SER C . 16558 1 148 . 1 1 13 13 SER CA C 13 60.430 0.3 . 1 . . . . 9 SER CA . 16558 1 149 . 1 1 13 13 SER CB C 13 62.630 0.3 . 1 . . . . 9 SER CB . 16558 1 150 . 1 1 13 13 SER N N 15 111.022 0.3 . 1 . . . . 9 SER N . 16558 1 151 . 1 1 14 14 GLU H H 1 8.067 0.020 . 1 . . . . 10 GLU H . 16558 1 152 . 1 1 14 14 GLU HA H 1 4.365 0.020 . 1 . . . . 10 GLU HA . 16558 1 153 . 1 1 14 14 GLU HB2 H 1 2.398 0.020 . 2 . . . . 10 GLU HB2 . 16558 1 154 . 1 1 14 14 GLU HB3 H 1 2.334 0.020 . 2 . . . . 10 GLU HB3 . 16558 1 155 . 1 1 14 14 GLU HG2 H 1 2.317 0.020 . 2 . . . . 10 GLU HG2 . 16558 1 156 . 1 1 14 14 GLU HG3 H 1 2.238 0.020 . 2 . . . . 10 GLU HG3 . 16558 1 157 . 1 1 14 14 GLU C C 13 176.593 0.3 . 1 . . . . 10 GLU C . 16558 1 158 . 1 1 14 14 GLU CA C 13 55.803 0.3 . 1 . . . . 10 GLU CA . 16558 1 159 . 1 1 14 14 GLU CB C 13 30.432 0.3 . 1 . . . . 10 GLU CB . 16558 1 160 . 1 1 14 14 GLU CG C 13 37.175 0.3 . 1 . . . . 10 GLU CG . 16558 1 161 . 1 1 14 14 GLU N N 15 120.286 0.3 . 1 . . . . 10 GLU N . 16558 1 162 . 1 1 15 15 LEU H H 1 7.243 0.020 . 1 . . . . 11 LEU H . 16558 1 163 . 1 1 15 15 LEU HA H 1 4.426 0.020 . 1 . . . . 11 LEU HA . 16558 1 164 . 1 1 15 15 LEU HB2 H 1 2.160 0.020 . 2 . . . . 11 LEU HB2 . 16558 1 165 . 1 1 15 15 LEU HB3 H 1 1.795 0.020 . 2 . . . . 11 LEU HB3 . 16558 1 166 . 1 1 15 15 LEU HD11 H 1 0.796 0.020 . 1 . . . . 11 LEU HD1 . 16558 1 167 . 1 1 15 15 LEU HD12 H 1 0.796 0.020 . 1 . . . . 11 LEU HD1 . 16558 1 168 . 1 1 15 15 LEU HD13 H 1 0.796 0.020 . 1 . . . . 11 LEU HD1 . 16558 1 169 . 1 1 15 15 LEU HD21 H 1 0.796 0.020 . 1 . . . . 11 LEU HD2 . 16558 1 170 . 1 1 15 15 LEU HD22 H 1 0.796 0.020 . 1 . . . . 11 LEU HD2 . 16558 1 171 . 1 1 15 15 LEU HD23 H 1 0.796 0.020 . 1 . . . . 11 LEU HD2 . 16558 1 172 . 1 1 15 15 LEU HG H 1 0.977 0.020 . 1 . . . . 11 LEU HG . 16558 1 173 . 1 1 15 15 LEU C C 13 177.059 0.3 . 1 . . . . 11 LEU C . 16558 1 174 . 1 1 15 15 LEU CA C 13 55.221 0.3 . 1 . . . . 11 LEU CA . 16558 1 175 . 1 1 15 15 LEU CB C 13 42.463 0.3 . 1 . . . . 11 LEU CB . 16558 1 176 . 1 1 15 15 LEU CD1 C 13 24.427 0.3 . 1 . . . . 11 LEU CD1 . 16558 1 177 . 1 1 15 15 LEU CD2 C 13 24.427 0.3 . 1 . . . . 11 LEU CD2 . 16558 1 178 . 1 1 15 15 LEU CG C 13 28.176 0.3 . 1 . . . . 11 LEU CG . 16558 1 179 . 1 1 15 15 LEU N N 15 120.451 0.3 . 1 . . . . 11 LEU N . 16558 1 180 . 1 1 16 16 LYS H H 1 8.337 0.020 . 1 . . . . 12 LYS H . 16558 1 181 . 1 1 16 16 LYS HA H 1 4.544 0.020 . 1 . . . . 12 LYS HA . 16558 1 182 . 1 1 16 16 LYS HB2 H 1 1.636 0.020 . 2 . . . . 12 LYS HB2 . 16558 1 183 . 1 1 16 16 LYS HB3 H 1 1.530 0.020 . 2 . . . . 12 LYS HB3 . 16558 1 184 . 1 1 16 16 LYS HD2 H 1 1.580 0.020 . 1 . . . . 12 LYS HD2 . 16558 1 185 . 1 1 16 16 LYS HD3 H 1 1.580 0.020 . 1 . . . . 12 LYS HD3 . 16558 1 186 . 1 1 16 16 LYS HE2 H 1 2.936 0.020 . 1 . . . . 12 LYS HE2 . 16558 1 187 . 1 1 16 16 LYS HE3 H 1 2.936 0.020 . 1 . . . . 12 LYS HE3 . 16558 1 188 . 1 1 16 16 LYS HG2 H 1 1.384 0.020 . 2 . . . . 12 LYS HG2 . 16558 1 189 . 1 1 16 16 LYS HG3 H 1 1.282 0.020 . 2 . . . . 12 LYS HG3 . 16558 1 190 . 1 1 16 16 LYS C C 13 174.539 0.3 . 1 . . . . 12 LYS C . 16558 1 191 . 1 1 16 16 LYS CA C 13 54.251 0.3 . 1 . . . . 12 LYS CA . 16558 1 192 . 1 1 16 16 LYS CB C 13 33.005 0.3 . 1 . . . . 12 LYS CB . 16558 1 193 . 1 1 16 16 LYS CD C 13 28.926 0.3 . 1 . . . . 12 LYS CD . 16558 1 194 . 1 1 16 16 LYS CE C 13 42.175 0.3 . 1 . . . . 12 LYS CE . 16558 1 195 . 1 1 16 16 LYS CG C 13 24.677 0.3 . 1 . . . . 12 LYS CG . 16558 1 196 . 1 1 16 16 LYS N N 15 122.796 0.3 . 1 . . . . 12 LYS N . 16558 1 197 . 1 1 17 17 GLY H H 1 7.450 0.020 . 1 . . . . 13 GLY H . 16558 1 198 . 1 1 17 17 GLY HA2 H 1 4.065 0.020 . 2 . . . . 13 GLY HA2 . 16558 1 199 . 1 1 17 17 GLY HA3 H 1 3.684 0.020 . 2 . . . . 13 GLY HA3 . 16558 1 200 . 1 1 17 17 GLY C C 13 171.934 0.3 . 1 . . . . 13 GLY C . 16558 1 201 . 1 1 17 17 GLY CA C 13 44.443 0.3 . 1 . . . . 13 GLY CA . 16558 1 202 . 1 1 17 17 GLY N N 15 107.321 0.3 . 1 . . . . 13 GLY N . 16558 1 203 . 1 1 18 18 LYS H H 1 8.092 0.020 . 1 . . . . 14 LYS H . 16558 1 204 . 1 1 18 18 LYS HA H 1 4.558 0.020 . 1 . . . . 14 LYS HA . 16558 1 205 . 1 1 18 18 LYS HB2 H 1 1.673 0.020 . 1 . . . . 14 LYS HB2 . 16558 1 206 . 1 1 18 18 LYS HB3 H 1 1.673 0.020 . 1 . . . . 14 LYS HB3 . 16558 1 207 . 1 1 18 18 LYS HD2 H 1 1.634 0.020 . 1 . . . . 14 LYS HD2 . 16558 1 208 . 1 1 18 18 LYS HD3 H 1 1.634 0.020 . 1 . . . . 14 LYS HD3 . 16558 1 209 . 1 1 18 18 LYS HE2 H 1 2.957 0.020 . 1 . . . . 14 LYS HE2 . 16558 1 210 . 1 1 18 18 LYS HE3 H 1 2.957 0.020 . 1 . . . . 14 LYS HE3 . 16558 1 211 . 1 1 18 18 LYS HG2 H 1 1.449 0.020 . 2 . . . . 14 LYS HG2 . 16558 1 212 . 1 1 18 18 LYS HG3 H 1 1.301 0.020 . 2 . . . . 14 LYS HG3 . 16558 1 213 . 1 1 18 18 LYS C C 13 175.454 0.3 . 1 . . . . 14 LYS C . 16558 1 214 . 1 1 18 18 LYS CA C 13 54.418 0.3 . 1 . . . . 14 LYS CA . 16558 1 215 . 1 1 18 18 LYS CB C 13 34.952 0.3 . 1 . . . . 14 LYS CB . 16558 1 216 . 1 1 18 18 LYS CD C 13 29.426 0.3 . 1 . . . . 14 LYS CD . 16558 1 217 . 1 1 18 18 LYS CE C 13 41.925 0.3 . 1 . . . . 14 LYS CE . 16558 1 218 . 1 1 18 18 LYS CG C 13 24.677 0.3 . 1 . . . . 14 LYS CG . 16558 1 219 . 1 1 18 18 LYS N N 15 120.933 0.3 . 1 . . . . 14 LYS N . 16558 1 220 . 1 1 19 19 PHE H H 1 9.024 0.020 . 1 . . . . 15 PHE H . 16558 1 221 . 1 1 19 19 PHE HA H 1 5.378 0.020 . 1 . . . . 15 PHE HA . 16558 1 222 . 1 1 19 19 PHE HB2 H 1 3.015 0.020 . 2 . . . . 15 PHE HB2 . 16558 1 223 . 1 1 19 19 PHE HB3 H 1 2.957 0.020 . 2 . . . . 15 PHE HB3 . 16558 1 224 . 1 1 19 19 PHE HD1 H 1 7.251 0.020 . 1 . . . . 15 PHE HD1 . 16558 1 225 . 1 1 19 19 PHE HD2 H 1 7.251 0.020 . 1 . . . . 15 PHE HD2 . 16558 1 226 . 1 1 19 19 PHE HE1 H 1 7.195 0.020 . 1 . . . . 15 PHE HE1 . 16558 1 227 . 1 1 19 19 PHE HE2 H 1 7.195 0.020 . 1 . . . . 15 PHE HE2 . 16558 1 228 . 1 1 19 19 PHE HZ H 1 7.363 0.020 . 1 . . . . 15 PHE HZ . 16558 1 229 . 1 1 19 19 PHE C C 13 175.920 0.3 . 1 . . . . 15 PHE C . 16558 1 230 . 1 1 19 19 PHE CA C 13 57.743 0.3 . 1 . . . . 15 PHE CA . 16558 1 231 . 1 1 19 19 PHE CB C 13 39.890 0.3 . 1 . . . . 15 PHE CB . 16558 1 232 . 1 1 19 19 PHE CD1 C 13 131.414 0.3 . 1 . . . . 15 PHE CD1 . 16558 1 233 . 1 1 19 19 PHE CD2 C 13 131.414 0.3 . 1 . . . . 15 PHE CD2 . 16558 1 234 . 1 1 19 19 PHE CE1 C 13 131.564 0.3 . 1 . . . . 15 PHE CE1 . 16558 1 235 . 1 1 19 19 PHE CE2 C 13 131.564 0.3 . 1 . . . . 15 PHE CE2 . 16558 1 236 . 1 1 19 19 PHE CZ C 13 131.714 0.3 . 1 . . . . 15 PHE CZ . 16558 1 237 . 1 1 19 19 PHE N N 15 125.700 0.3 . 1 . . . . 15 PHE N . 16558 1 238 . 1 1 20 20 ILE H H 1 8.934 0.020 . 1 . . . . 16 ILE H . 16558 1 239 . 1 1 20 20 ILE HA H 1 4.363 0.020 . 1 . . . . 16 ILE HA . 16558 1 240 . 1 1 20 20 ILE HB H 1 1.516 0.020 . 1 . . . . 16 ILE HB . 16558 1 241 . 1 1 20 20 ILE HD11 H 1 0.664 0.020 . 1 . . . . 16 ILE HD1 . 16558 1 242 . 1 1 20 20 ILE HD12 H 1 0.664 0.020 . 1 . . . . 16 ILE HD1 . 16558 1 243 . 1 1 20 20 ILE HD13 H 1 0.664 0.020 . 1 . . . . 16 ILE HD1 . 16558 1 244 . 1 1 20 20 ILE HG12 H 1 1.298 0.020 . 2 . . . . 16 ILE HG12 . 16558 1 245 . 1 1 20 20 ILE HG13 H 1 1.191 0.020 . 2 . . . . 16 ILE HG13 . 16558 1 246 . 1 1 20 20 ILE HG21 H 1 0.740 0.020 . 1 . . . . 16 ILE HG2 . 16558 1 247 . 1 1 20 20 ILE HG22 H 1 0.740 0.020 . 1 . . . . 16 ILE HG2 . 16558 1 248 . 1 1 20 20 ILE HG23 H 1 0.740 0.020 . 1 . . . . 16 ILE HG2 . 16558 1 249 . 1 1 20 20 ILE C C 13 173.711 0.3 . 1 . . . . 16 ILE C . 16558 1 250 . 1 1 20 20 ILE CA C 13 59.627 0.3 . 1 . . . . 16 ILE CA . 16558 1 251 . 1 1 20 20 ILE CB C 13 41.976 0.3 . 1 . . . . 16 ILE CB . 16558 1 252 . 1 1 20 20 ILE CD1 C 13 13.928 0.3 . 1 . . . . 16 ILE CD1 . 16558 1 253 . 1 1 20 20 ILE CG1 C 13 27.926 0.3 . 1 . . . . 16 ILE CG1 . 16558 1 254 . 1 1 20 20 ILE CG2 C 13 18.427 0.3 . 1 . . . . 16 ILE CG2 . 16558 1 255 . 1 1 20 20 ILE N N 15 125.046 0.3 . 1 . . . . 16 ILE N . 16558 1 256 . 1 1 21 21 HIS H H 1 8.718 0.020 . 1 . . . . 17 HIS H . 16558 1 257 . 1 1 21 21 HIS HA H 1 5.583 0.020 . 1 . . . . 17 HIS HA . 16558 1 258 . 1 1 21 21 HIS HB2 H 1 3.167 0.020 . 2 . . . . 17 HIS HB2 . 16558 1 259 . 1 1 21 21 HIS HB3 H 1 3.125 0.020 . 2 . . . . 17 HIS HB3 . 16558 1 260 . 1 1 21 21 HIS HD2 H 1 7.145 0.020 . 1 . . . . 17 HIS HD2 . 16558 1 261 . 1 1 21 21 HIS HE1 H 1 8.272 0.020 . 1 . . . . 17 HIS HE1 . 16558 1 262 . 1 1 21 21 HIS C C 13 174.522 0.3 . 1 . . . . 17 HIS C . 16558 1 263 . 1 1 21 21 HIS CA C 13 54.251 0.3 . 1 . . . . 17 HIS CA . 16558 1 264 . 1 1 21 21 HIS CB C 13 31.475 0.3 . 1 . . . . 17 HIS CB . 16558 1 265 . 1 1 21 21 HIS CD2 C 13 119.643 0.3 . 1 . . . . 17 HIS CD2 . 16558 1 266 . 1 1 21 21 HIS CE1 C 13 136.244 0.3 . 1 . . . . 17 HIS CE1 . 16558 1 267 . 1 1 21 21 HIS N N 15 125.751 0.3 . 1 . . . . 17 HIS N . 16558 1 268 . 1 1 22 22 THR H H 1 8.557 0.020 . 1 . . . . 18 THR H . 16558 1 269 . 1 1 22 22 THR HA H 1 4.660 0.020 . 1 . . . . 18 THR HA . 16558 1 270 . 1 1 22 22 THR HB H 1 3.811 0.020 . 1 . . . . 18 THR HB . 16558 1 271 . 1 1 22 22 THR HG21 H 1 0.841 0.020 . 1 . . . . 18 THR HG2 . 16558 1 272 . 1 1 22 22 THR HG22 H 1 0.841 0.020 . 1 . . . . 18 THR HG2 . 16558 1 273 . 1 1 22 22 THR HG23 H 1 0.841 0.020 . 1 . . . . 18 THR HG2 . 16558 1 274 . 1 1 22 22 THR C C 13 170.139 0.3 . 1 . . . . 18 THR C . 16558 1 275 . 1 1 22 22 THR CA C 13 59.959 0.3 . 1 . . . . 18 THR CA . 16558 1 276 . 1 1 22 22 THR CB C 13 69.028 0.3 . 1 . . . . 18 THR CB . 16558 1 277 . 1 1 22 22 THR CG2 C 13 19.177 0.3 . 1 . . . . 18 THR CG2 . 16558 1 278 . 1 1 22 22 THR N N 15 118.026 0.3 . 1 . . . . 18 THR N . 16558 1 279 . 1 1 23 23 LYS H H 1 8.019 0.020 . 1 . . . . 19 LYS H . 16558 1 280 . 1 1 23 23 LYS HA H 1 5.572 0.020 . 1 . . . . 19 LYS HA . 16558 1 281 . 1 1 23 23 LYS HB2 H 1 1.719 0.020 . 2 . . . . 19 LYS HB2 . 16558 1 282 . 1 1 23 23 LYS HB3 H 1 1.678 0.020 . 2 . . . . 19 LYS HB3 . 16558 1 283 . 1 1 23 23 LYS HD2 H 1 1.675 0.020 . 1 . . . . 19 LYS HD2 . 16558 1 284 . 1 1 23 23 LYS HD3 H 1 1.675 0.020 . 1 . . . . 19 LYS HD3 . 16558 1 285 . 1 1 23 23 LYS HE2 H 1 2.960 0.020 . 1 . . . . 19 LYS HE2 . 16558 1 286 . 1 1 23 23 LYS HE3 H 1 2.960 0.020 . 1 . . . . 19 LYS HE3 . 16558 1 287 . 1 1 23 23 LYS HG2 H 1 1.349 0.020 . 2 . . . . 19 LYS HG2 . 16558 1 288 . 1 1 23 23 LYS HG3 H 1 1.210 0.020 . 2 . . . . 19 LYS HG3 . 16558 1 289 . 1 1 23 23 LYS C C 13 175.609 0.3 . 1 . . . . 19 LYS C . 16558 1 290 . 1 1 23 23 LYS CA C 13 54.612 0.3 . 1 . . . . 19 LYS CA . 16558 1 291 . 1 1 23 23 LYS CB C 13 35.230 0.3 . 1 . . . . 19 LYS CB . 16558 1 292 . 1 1 23 23 LYS CD C 13 29.426 0.3 . 1 . . . . 19 LYS CD . 16558 1 293 . 1 1 23 23 LYS CE C 13 41.175 0.3 . 1 . . . . 19 LYS CE . 16558 1 294 . 1 1 23 23 LYS CG C 13 24.427 0.3 . 1 . . . . 19 LYS CG . 16558 1 295 . 1 1 23 23 LYS N N 15 127.228 0.3 . 1 . . . . 19 LYS N . 16558 1 296 . 1 1 24 24 LEU H H 1 8.539 0.020 . 1 . . . . 20 LEU H . 16558 1 297 . 1 1 24 24 LEU HA H 1 4.979 0.020 . 1 . . . . 20 LEU HA . 16558 1 298 . 1 1 24 24 LEU HB2 H 1 1.705 0.020 . 2 . . . . 20 LEU HB2 . 16558 1 299 . 1 1 24 24 LEU HB3 H 1 1.414 0.020 . 2 . . . . 20 LEU HB3 . 16558 1 300 . 1 1 24 24 LEU HD11 H 1 0.896 0.020 . 1 . . . . 20 LEU HD1 . 16558 1 301 . 1 1 24 24 LEU HD12 H 1 0.896 0.020 . 1 . . . . 20 LEU HD1 . 16558 1 302 . 1 1 24 24 LEU HD13 H 1 0.896 0.020 . 1 . . . . 20 LEU HD1 . 16558 1 303 . 1 1 24 24 LEU HD21 H 1 0.925 0.020 . 1 . . . . 20 LEU HD2 . 16558 1 304 . 1 1 24 24 LEU HD22 H 1 0.925 0.020 . 1 . . . . 20 LEU HD2 . 16558 1 305 . 1 1 24 24 LEU HD23 H 1 0.925 0.020 . 1 . . . . 20 LEU HD2 . 16558 1 306 . 1 1 24 24 LEU HG H 1 1.535 0.020 . 1 . . . . 20 LEU HG . 16558 1 307 . 1 1 24 24 LEU C C 13 175.161 0.3 . 1 . . . . 20 LEU C . 16558 1 308 . 1 1 24 24 LEU CA C 13 52.506 0.3 . 1 . . . . 20 LEU CA . 16558 1 309 . 1 1 24 24 LEU CB C 13 46.844 0.3 . 1 . . . . 20 LEU CB . 16558 1 310 . 1 1 24 24 LEU CD1 C 13 26.926 0.3 . 1 . . . . 20 LEU CD1 . 16558 1 311 . 1 1 24 24 LEU CD2 C 13 23.927 0.3 . 1 . . . . 20 LEU CD2 . 16558 1 312 . 1 1 24 24 LEU CG C 13 26.676 0.3 . 1 . . . . 20 LEU CG . 16558 1 313 . 1 1 24 24 LEU N N 15 123.386 0.3 . 1 . . . . 20 LEU N . 16558 1 314 . 1 1 25 25 ARG H H 1 8.774 0.020 . 1 . . . . 21 ARG H . 16558 1 315 . 1 1 25 25 ARG HA H 1 4.796 0.020 . 1 . . . . 21 ARG HA . 16558 1 316 . 1 1 25 25 ARG HB2 H 1 1.677 0.020 . 2 . . . . 21 ARG HB2 . 16558 1 317 . 1 1 25 25 ARG HB3 H 1 1.643 0.020 . 2 . . . . 21 ARG HB3 . 16558 1 318 . 1 1 25 25 ARG HD2 H 1 3.147 0.020 . 1 . . . . 21 ARG HD2 . 16558 1 319 . 1 1 25 25 ARG HD3 H 1 3.147 0.020 . 1 . . . . 21 ARG HD3 . 16558 1 320 . 1 1 25 25 ARG HG2 H 1 1.373 0.020 . 2 . . . . 21 ARG HG2 . 16558 1 321 . 1 1 25 25 ARG HG3 H 1 1.280 0.020 . 2 . . . . 21 ARG HG3 . 16558 1 322 . 1 1 25 25 ARG C C 13 175.972 0.3 . 1 . . . . 21 ARG C . 16558 1 323 . 1 1 25 25 ARG CA C 13 54.916 0.3 . 1 . . . . 21 ARG CA . 16558 1 324 . 1 1 25 25 ARG CB C 13 31.197 0.3 . 1 . . . . 21 ARG CB . 16558 1 325 . 1 1 25 25 ARG CD C 13 43.425 0.3 . 1 . . . . 21 ARG CD . 16558 1 326 . 1 1 25 25 ARG CG C 13 27.676 0.3 . 1 . . . . 21 ARG CG . 16558 1 327 . 1 1 25 25 ARG N N 15 124.207 0.3 . 1 . . . . 21 ARG N . 16558 1 328 . 1 1 26 26 LYS H H 1 8.824 0.020 . 1 . . . . 22 LYS H . 16558 1 329 . 1 1 26 26 LYS HA H 1 3.134 0.020 . 1 . . . . 22 LYS HA . 16558 1 330 . 1 1 26 26 LYS HB2 H 1 1.860 0.020 . 2 . . . . 22 LYS HB2 . 16558 1 331 . 1 1 26 26 LYS HB3 H 1 1.252 0.020 . 2 . . . . 22 LYS HB3 . 16558 1 332 . 1 1 26 26 LYS HD2 H 1 1.343 0.020 . 2 . . . . 22 LYS HD2 . 16558 1 333 . 1 1 26 26 LYS HD3 H 1 1.129 0.020 . 2 . . . . 22 LYS HD3 . 16558 1 334 . 1 1 26 26 LYS HE2 H 1 2.669 0.020 . 2 . . . . 22 LYS HE2 . 16558 1 335 . 1 1 26 26 LYS HE3 H 1 2.570 0.020 . 2 . . . . 22 LYS HE3 . 16558 1 336 . 1 1 26 26 LYS HG2 H 1 1.335 0.020 . 2 . . . . 22 LYS HG2 . 16558 1 337 . 1 1 26 26 LYS HG3 H 1 -0.363 0.020 . 2 . . . . 22 LYS HG3 . 16558 1 338 . 1 1 26 26 LYS C C 13 176.765 0.3 . 1 . . . . 22 LYS C . 16558 1 339 . 1 1 26 26 LYS CA C 13 58.047 0.3 . 1 . . . . 22 LYS CA . 16558 1 340 . 1 1 26 26 LYS CB C 13 32.796 0.3 . 1 . . . . 22 LYS CB . 16558 1 341 . 1 1 26 26 LYS CD C 13 29.426 0.3 . 1 . . . . 22 LYS CD . 16558 1 342 . 1 1 26 26 LYS CE C 13 42.425 0.3 . 1 . . . . 22 LYS CE . 16558 1 343 . 1 1 26 26 LYS CG C 13 25.676 0.3 . 1 . . . . 22 LYS CG . 16558 1 344 . 1 1 26 26 LYS N N 15 127.407 0.3 . 1 . . . . 22 LYS N . 16558 1 345 . 1 1 27 27 SER H H 1 7.531 0.020 . 1 . . . . 23 SER H . 16558 1 346 . 1 1 27 27 SER HA H 1 4.905 0.020 . 1 . . . . 23 SER HA . 16558 1 347 . 1 1 27 27 SER HB2 H 1 4.369 0.020 . 2 . . . . 23 SER HB2 . 16558 1 348 . 1 1 27 27 SER HB3 H 1 3.979 0.020 . 2 . . . . 23 SER HB3 . 16558 1 349 . 1 1 27 27 SER CA C 13 57.188 0.3 . 1 . . . . 23 SER CA . 16558 1 350 . 1 1 27 27 SER CB C 13 66.872 0.3 . 1 . . . . 23 SER CB . 16558 1 351 . 1 1 27 27 SER N N 15 126.271 0.3 . 1 . . . . 23 SER N . 16558 1 352 . 1 1 28 28 SER HA H 1 4.099 0.020 . 1 . . . . 24 SER HA . 16558 1 353 . 1 1 28 28 SER HB2 H 1 4.024 0.020 . 2 . . . . 24 SER HB2 . 16558 1 354 . 1 1 28 28 SER HB3 H 1 3.967 0.020 . 2 . . . . 24 SER HB3 . 16558 1 355 . 1 1 28 28 SER CA C 13 61.673 0.3 . 1 . . . . 24 SER CA . 16558 1 356 . 1 1 28 28 SER CB C 13 62.423 0.3 . 1 . . . . 24 SER CB . 16558 1 357 . 1 1 29 29 ARG HA H 1 4.519 0.020 . 1 . . . . 25 ARG HA . 16558 1 358 . 1 1 29 29 ARG HB2 H 1 2.052 0.020 . 2 . . . . 25 ARG HB2 . 16558 1 359 . 1 1 29 29 ARG HB3 H 1 1.457 0.020 . 2 . . . . 25 ARG HB3 . 16558 1 360 . 1 1 29 29 ARG HD2 H 1 3.142 0.020 . 1 . . . . 25 ARG HD2 . 16558 1 361 . 1 1 29 29 ARG HD3 H 1 3.142 0.020 . 1 . . . . 25 ARG HD3 . 16558 1 362 . 1 1 29 29 ARG HG2 H 1 1.603 0.020 . 2 . . . . 25 ARG HG2 . 16558 1 363 . 1 1 29 29 ARG HG3 H 1 1.568 0.020 . 2 . . . . 25 ARG HG3 . 16558 1 364 . 1 1 29 29 ARG C C 13 175.954 0.3 . 1 . . . . 25 ARG C . 16558 1 365 . 1 1 29 29 ARG CA C 13 55.055 0.3 . 1 . . . . 25 ARG CA . 16558 1 366 . 1 1 29 29 ARG CB C 13 29.945 0.3 . 1 . . . . 25 ARG CB . 16558 1 367 . 1 1 29 29 ARG CD C 13 43.425 0.3 . 1 . . . . 25 ARG CD . 16558 1 368 . 1 1 29 29 ARG CG C 13 27.176 0.3 . 1 . . . . 25 ARG CG . 16558 1 369 . 1 1 29 29 ARG N N 15 120.071 0.3 . 1 . . . . 25 ARG N . 16558 1 370 . 1 1 30 30 GLY H H 1 7.703 0.020 . 1 . . . . 26 GLY H . 16558 1 371 . 1 1 30 30 GLY HA2 H 1 4.427 0.020 . 2 . . . . 26 GLY HA2 . 16558 1 372 . 1 1 30 30 GLY HA3 H 1 3.545 0.020 . 2 . . . . 26 GLY HA3 . 16558 1 373 . 1 1 30 30 GLY CA C 13 44.688 0.3 . 1 . . . . 26 GLY CA . 16558 1 374 . 1 1 30 30 GLY N N 15 109.556 0.3 . 1 . . . . 26 GLY N . 16558 1 375 . 1 1 31 31 PHE HA H 1 4.525 0.020 . 1 . . . . 27 PHE HA . 16558 1 376 . 1 1 31 31 PHE HB2 H 1 3.206 0.020 . 2 . . . . 27 PHE HB2 . 16558 1 377 . 1 1 31 31 PHE HB3 H 1 2.188 0.020 . 2 . . . . 27 PHE HB3 . 16558 1 378 . 1 1 31 31 PHE HD1 H 1 6.901 0.020 . 1 . . . . 27 PHE HD1 . 16558 1 379 . 1 1 31 31 PHE HD2 H 1 6.901 0.020 . 1 . . . . 27 PHE HD2 . 16558 1 380 . 1 1 31 31 PHE HE1 H 1 7.382 0.020 . 1 . . . . 27 PHE HE1 . 16558 1 381 . 1 1 31 31 PHE HE2 H 1 7.382 0.020 . 1 . . . . 27 PHE HE2 . 16558 1 382 . 1 1 31 31 PHE HZ H 1 7.187 0.020 . 1 . . . . 27 PHE HZ . 16558 1 383 . 1 1 31 31 PHE C C 13 176.110 0.3 . 1 . . . . 27 PHE C . 16558 1 384 . 1 1 31 31 PHE CA C 13 59.571 0.3 . 1 . . . . 27 PHE CA . 16558 1 385 . 1 1 31 31 PHE CB C 13 41.141 0.3 . 1 . . . . 27 PHE CB . 16558 1 386 . 1 1 31 31 PHE CD1 C 13 131.175 0.3 . 1 . . . . 27 PHE CD1 . 16558 1 387 . 1 1 31 31 PHE CD2 C 13 131.175 0.3 . 1 . . . . 27 PHE CD2 . 16558 1 388 . 1 1 31 31 PHE CE1 C 13 130.995 0.3 . 1 . . . . 27 PHE CE1 . 16558 1 389 . 1 1 31 31 PHE CE2 C 13 130.995 0.3 . 1 . . . . 27 PHE CE2 . 16558 1 390 . 1 1 31 31 PHE CZ C 13 130.397 0.3 . 1 . . . . 27 PHE CZ . 16558 1 391 . 1 1 32 32 GLY H H 1 8.797 0.020 . 1 . . . . 28 GLY H . 16558 1 392 . 1 1 32 32 GLY HA2 H 1 4.292 0.020 . 2 . . . . 28 GLY HA2 . 16558 1 393 . 1 1 32 32 GLY HA3 H 1 3.950 0.020 . 2 . . . . 28 GLY HA3 . 16558 1 394 . 1 1 32 32 GLY C C 13 175.299 0.3 . 1 . . . . 28 GLY C . 16558 1 395 . 1 1 32 32 GLY CA C 13 46.161 0.3 . 1 . . . . 28 GLY CA . 16558 1 396 . 1 1 32 32 GLY N N 15 106.746 0.3 . 1 . . . . 28 GLY N . 16558 1 397 . 1 1 33 33 PHE H H 1 7.287 0.020 . 1 . . . . 29 PHE H . 16558 1 398 . 1 1 33 33 PHE HA H 1 5.700 0.020 . 1 . . . . 29 PHE HA . 16558 1 399 . 1 1 33 33 PHE HB2 H 1 3.295 0.020 . 2 . . . . 29 PHE HB2 . 16558 1 400 . 1 1 33 33 PHE HB3 H 1 2.952 0.020 . 2 . . . . 29 PHE HB3 . 16558 1 401 . 1 1 33 33 PHE HD1 H 1 6.739 0.020 . 1 . . . . 29 PHE HD1 . 16558 1 402 . 1 1 33 33 PHE HD2 H 1 6.739 0.020 . 1 . . . . 29 PHE HD2 . 16558 1 403 . 1 1 33 33 PHE HE1 H 1 6.567 0.020 . 1 . . . . 29 PHE HE1 . 16558 1 404 . 1 1 33 33 PHE HE2 H 1 6.567 0.020 . 1 . . . . 29 PHE HE2 . 16558 1 405 . 1 1 33 33 PHE HZ H 1 6.124 0.020 . 1 . . . . 29 PHE HZ . 16558 1 406 . 1 1 33 33 PHE C C 13 173.383 0.3 . 1 . . . . 29 PHE C . 16558 1 407 . 1 1 33 33 PHE CA C 13 55.969 0.3 . 1 . . . . 29 PHE CA . 16558 1 408 . 1 1 33 33 PHE CB C 13 41.837 0.3 . 1 . . . . 29 PHE CB . 16558 1 409 . 1 1 33 33 PHE CD1 C 13 132.791 0.3 . 1 . . . . 29 PHE CD1 . 16558 1 410 . 1 1 33 33 PHE CD2 C 13 132.791 0.3 . 1 . . . . 29 PHE CD2 . 16558 1 411 . 1 1 33 33 PHE CE1 C 13 130.908 0.3 . 1 . . . . 29 PHE CE1 . 16558 1 412 . 1 1 33 33 PHE CE2 C 13 130.908 0.3 . 1 . . . . 29 PHE CE2 . 16558 1 413 . 1 1 33 33 PHE CZ C 13 128.303 0.3 . 1 . . . . 29 PHE CZ . 16558 1 414 . 1 1 33 33 PHE N N 15 116.507 0.3 . 1 . . . . 29 PHE N . 16558 1 415 . 1 1 34 34 THR H H 1 8.666 0.020 . 1 . . . . 30 THR H . 16558 1 416 . 1 1 34 34 THR HA H 1 4.865 0.020 . 1 . . . . 30 THR HA . 16558 1 417 . 1 1 34 34 THR HB H 1 4.376 0.020 . 1 . . . . 30 THR HB . 16558 1 418 . 1 1 34 34 THR HG21 H 1 1.171 0.020 . 1 . . . . 30 THR HG2 . 16558 1 419 . 1 1 34 34 THR HG22 H 1 1.171 0.020 . 1 . . . . 30 THR HG2 . 16558 1 420 . 1 1 34 34 THR HG23 H 1 1.171 0.020 . 1 . . . . 30 THR HG2 . 16558 1 421 . 1 1 34 34 THR C C 13 174.022 0.3 . 1 . . . . 30 THR C . 16558 1 422 . 1 1 34 34 THR CA C 13 59.959 0.3 . 1 . . . . 30 THR CA . 16558 1 423 . 1 1 34 34 THR CB C 13 71.323 0.3 . 1 . . . . 30 THR CB . 16558 1 424 . 1 1 34 34 THR CG2 C 13 21.677 0.3 . 1 . . . . 30 THR CG2 . 16558 1 425 . 1 1 34 34 THR N N 15 113.991 0.3 . 1 . . . . 30 THR N . 16558 1 426 . 1 1 35 35 VAL H H 1 9.079 0.020 . 1 . . . . 31 VAL H . 16558 1 427 . 1 1 35 35 VAL HA H 1 5.244 0.020 . 1 . . . . 31 VAL HA . 16558 1 428 . 1 1 35 35 VAL HB H 1 2.018 0.020 . 1 . . . . 31 VAL HB . 16558 1 429 . 1 1 35 35 VAL HG11 H 1 1.007 0.020 . 1 . . . . 31 VAL HG1 . 16558 1 430 . 1 1 35 35 VAL HG12 H 1 1.007 0.020 . 1 . . . . 31 VAL HG1 . 16558 1 431 . 1 1 35 35 VAL HG13 H 1 1.007 0.020 . 1 . . . . 31 VAL HG1 . 16558 1 432 . 1 1 35 35 VAL HG21 H 1 1.007 0.020 . 1 . . . . 31 VAL HG2 . 16558 1 433 . 1 1 35 35 VAL HG22 H 1 1.007 0.020 . 1 . . . . 31 VAL HG2 . 16558 1 434 . 1 1 35 35 VAL HG23 H 1 1.007 0.020 . 1 . . . . 31 VAL HG2 . 16558 1 435 . 1 1 35 35 VAL C C 13 174.850 0.3 . 1 . . . . 31 VAL C . 16558 1 436 . 1 1 35 35 VAL CA C 13 60.680 0.3 . 1 . . . . 31 VAL CA . 16558 1 437 . 1 1 35 35 VAL CB C 13 35.230 0.3 . 1 . . . . 31 VAL CB . 16558 1 438 . 1 1 35 35 VAL CG1 C 13 23.427 0.3 . 1 . . . . 31 VAL CG1 . 16558 1 439 . 1 1 35 35 VAL CG2 C 13 22.427 0.3 . 1 . . . . 31 VAL CG2 . 16558 1 440 . 1 1 35 35 VAL N N 15 122.697 0.3 . 1 . . . . 31 VAL N . 16558 1 441 . 1 1 36 36 VAL H H 1 9.439 0.020 . 1 . . . . 32 VAL H . 16558 1 442 . 1 1 36 36 VAL HA H 1 4.781 0.020 . 1 . . . . 32 VAL HA . 16558 1 443 . 1 1 36 36 VAL HB H 1 2.147 0.020 . 1 . . . . 32 VAL HB . 16558 1 444 . 1 1 36 36 VAL HG11 H 1 1.045 0.020 . 1 . . . . 32 VAL HG1 . 16558 1 445 . 1 1 36 36 VAL HG12 H 1 1.045 0.020 . 1 . . . . 32 VAL HG1 . 16558 1 446 . 1 1 36 36 VAL HG13 H 1 1.045 0.020 . 1 . . . . 32 VAL HG1 . 16558 1 447 . 1 1 36 36 VAL HG21 H 1 0.922 0.020 . 1 . . . . 32 VAL HG2 . 16558 1 448 . 1 1 36 36 VAL HG22 H 1 0.922 0.020 . 1 . . . . 32 VAL HG2 . 16558 1 449 . 1 1 36 36 VAL HG23 H 1 0.922 0.020 . 1 . . . . 32 VAL HG2 . 16558 1 450 . 1 1 36 36 VAL C C 13 173.245 0.3 . 1 . . . . 32 VAL C . 16558 1 451 . 1 1 36 36 VAL CA C 13 59.682 0.3 . 1 . . . . 32 VAL CA . 16558 1 452 . 1 1 36 36 VAL CB C 13 35.439 0.3 . 1 . . . . 32 VAL CB . 16558 1 453 . 1 1 36 36 VAL CG1 C 13 20.427 0.3 . 1 . . . . 32 VAL CG1 . 16558 1 454 . 1 1 36 36 VAL CG2 C 13 20.677 0.3 . 1 . . . . 32 VAL CG2 . 16558 1 455 . 1 1 36 36 VAL N N 15 123.268 0.3 . 1 . . . . 32 VAL N . 16558 1 456 . 1 1 37 37 GLY H H 1 8.253 0.020 . 1 . . . . 33 GLY H . 16558 1 457 . 1 1 37 37 GLY HA2 H 1 5.228 0.020 . 2 . . . . 33 GLY HA2 . 16558 1 458 . 1 1 37 37 GLY HA3 H 1 3.912 0.020 . 2 . . . . 33 GLY HA3 . 16558 1 459 . 1 1 37 37 GLY C C 13 174.729 0.3 . 1 . . . . 33 GLY C . 16558 1 460 . 1 1 37 37 GLY CA C 13 43.667 0.3 . 1 . . . . 33 GLY CA . 16558 1 461 . 1 1 37 37 GLY N N 15 111.206 0.3 . 1 . . . . 33 GLY N . 16558 1 462 . 1 1 38 38 GLY H H 1 7.620 0.020 . 1 . . . . 34 GLY H . 16558 1 463 . 1 1 38 38 GLY HA2 H 1 4.074 0.020 . 1 . . . . 34 GLY HA2 . 16558 1 464 . 1 1 38 38 GLY HA3 H 1 4.074 0.020 . 1 . . . . 34 GLY HA3 . 16558 1 465 . 1 1 38 38 GLY C C 13 176.023 0.3 . 1 . . . . 34 GLY C . 16558 1 466 . 1 1 38 38 GLY CA C 13 46.521 0.3 . 1 . . . . 34 GLY CA . 16558 1 467 . 1 1 38 38 GLY N N 15 103.547 0.3 . 1 . . . . 34 GLY N . 16558 1 468 . 1 1 39 39 ASP H H 1 8.660 0.020 . 1 . . . . 35 ASP H . 16558 1 469 . 1 1 39 39 ASP HA H 1 4.668 0.020 . 1 . . . . 35 ASP HA . 16558 1 470 . 1 1 39 39 ASP HB2 H 1 2.771 0.020 . 2 . . . . 35 ASP HB2 . 16558 1 471 . 1 1 39 39 ASP HB3 H 1 2.737 0.020 . 2 . . . . 35 ASP HB3 . 16558 1 472 . 1 1 39 39 ASP C C 13 176.127 0.3 . 1 . . . . 35 ASP C . 16558 1 473 . 1 1 39 39 ASP CA C 13 56.551 0.3 . 1 . . . . 35 ASP CA . 16558 1 474 . 1 1 39 39 ASP CB C 13 41.281 0.3 . 1 . . . . 35 ASP CB . 16558 1 475 . 1 1 39 39 ASP N N 15 121.793 0.3 . 1 . . . . 35 ASP N . 16558 1 476 . 1 1 40 40 GLU H H 1 7.548 0.020 . 1 . . . . 36 GLU H . 16558 1 477 . 1 1 40 40 GLU HA H 1 4.571 0.020 . 1 . . . . 36 GLU HA . 16558 1 478 . 1 1 40 40 GLU HB2 H 1 2.052 0.020 . 2 . . . . 36 GLU HB2 . 16558 1 479 . 1 1 40 40 GLU HB3 H 1 1.539 0.020 . 2 . . . . 36 GLU HB3 . 16558 1 480 . 1 1 40 40 GLU HG2 H 1 2.221 0.020 . 2 . . . . 36 GLU HG2 . 16558 1 481 . 1 1 40 40 GLU HG3 H 1 2.134 0.020 . 2 . . . . 36 GLU HG3 . 16558 1 482 . 1 1 40 40 GLU CA C 13 53.115 0.3 . 1 . . . . 36 GLU CA . 16558 1 483 . 1 1 40 40 GLU CB C 13 30.988 0.3 . 1 . . . . 36 GLU CB . 16558 1 484 . 1 1 40 40 GLU CG C 13 35.925 0.3 . 1 . . . . 36 GLU CG . 16558 1 485 . 1 1 40 40 GLU N N 15 118.161 0.3 . 1 . . . . 36 GLU N . 16558 1 486 . 1 1 41 41 PRO HA H 1 4.110 0.020 . 1 . . . . 37 PRO HA . 16558 1 487 . 1 1 41 41 PRO HB2 H 1 2.209 0.020 . 2 . . . . 37 PRO HB2 . 16558 1 488 . 1 1 41 41 PRO HB3 H 1 1.738 0.020 . 2 . . . . 37 PRO HB3 . 16558 1 489 . 1 1 41 41 PRO HD2 H 1 3.608 0.020 . 1 . . . . 37 PRO HD2 . 16558 1 490 . 1 1 41 41 PRO HD3 H 1 3.608 0.020 . 1 . . . . 37 PRO HD3 . 16558 1 491 . 1 1 41 41 PRO HG2 H 1 1.909 0.020 . 2 . . . . 37 PRO HG2 . 16558 1 492 . 1 1 41 41 PRO HG3 H 1 1.832 0.020 . 2 . . . . 37 PRO HG3 . 16558 1 493 . 1 1 41 41 PRO C C 13 174.936 0.3 . 1 . . . . 37 PRO C . 16558 1 494 . 1 1 41 41 PRO CA C 13 63.288 0.3 . 1 . . . . 37 PRO CA . 16558 1 495 . 1 1 41 41 PRO CB C 13 31.823 0.3 . 1 . . . . 37 PRO CB . 16558 1 496 . 1 1 41 41 PRO CD C 13 50.424 0.3 . 1 . . . . 37 PRO CD . 16558 1 497 . 1 1 41 41 PRO CG C 13 27.676 0.3 . 1 . . . . 37 PRO CG . 16558 1 498 . 1 1 42 42 ASP H H 1 7.806 0.020 . 1 . . . . 38 ASP H . 16558 1 499 . 1 1 42 42 ASP HA H 1 2.930 0.020 . 1 . . . . 38 ASP HA . 16558 1 500 . 1 1 42 42 ASP HB2 H 1 2.414 0.020 . 2 . . . . 38 ASP HB2 . 16558 1 501 . 1 1 42 42 ASP HB3 H 1 2.013 0.020 . 2 . . . . 38 ASP HB3 . 16558 1 502 . 1 1 42 42 ASP C C 13 172.935 0.3 . 1 . . . . 38 ASP C . 16558 1 503 . 1 1 42 42 ASP CA C 13 52.838 0.3 . 1 . . . . 38 ASP CA . 16558 1 504 . 1 1 42 42 ASP CB C 13 37.873 0.3 . 1 . . . . 38 ASP CB . 16558 1 505 . 1 1 42 42 ASP N N 15 116.997 0.3 . 1 . . . . 38 ASP N . 16558 1 506 . 1 1 43 43 GLU H H 1 7.030 0.020 . 1 . . . . 39 GLU H . 16558 1 507 . 1 1 43 43 GLU HA H 1 4.157 0.020 . 1 . . . . 39 GLU HA . 16558 1 508 . 1 1 43 43 GLU HB2 H 1 1.991 0.020 . 2 . . . . 39 GLU HB2 . 16558 1 509 . 1 1 43 43 GLU HB3 H 1 1.702 0.020 . 2 . . . . 39 GLU HB3 . 16558 1 510 . 1 1 43 43 GLU HG2 H 1 2.173 0.020 . 2 . . . . 39 GLU HG2 . 16558 1 511 . 1 1 43 43 GLU HG3 H 1 2.093 0.020 . 2 . . . . 39 GLU HG3 . 16558 1 512 . 1 1 43 43 GLU C C 13 176.403 0.3 . 1 . . . . 39 GLU C . 16558 1 513 . 1 1 43 43 GLU CA C 13 54.141 0.3 . 1 . . . . 39 GLU CA . 16558 1 514 . 1 1 43 43 GLU CB C 13 33.631 0.3 . 1 . . . . 39 GLU CB . 16558 1 515 . 1 1 43 43 GLU CG C 13 36.175 0.3 . 1 . . . . 39 GLU CG . 16558 1 516 . 1 1 43 43 GLU N N 15 115.587 0.3 . 1 . . . . 39 GLU N . 16558 1 517 . 1 1 44 44 PHE H H 1 8.700 0.020 . 1 . . . . 40 PHE H . 16558 1 518 . 1 1 44 44 PHE HA H 1 4.981 0.020 . 1 . . . . 40 PHE HA . 16558 1 519 . 1 1 44 44 PHE HB2 H 1 3.145 0.020 . 2 . . . . 40 PHE HB2 . 16558 1 520 . 1 1 44 44 PHE HB3 H 1 2.876 0.020 . 2 . . . . 40 PHE HB3 . 16558 1 521 . 1 1 44 44 PHE HD1 H 1 7.192 0.020 . 1 . . . . 40 PHE HD1 . 16558 1 522 . 1 1 44 44 PHE HD2 H 1 7.192 0.020 . 1 . . . . 40 PHE HD2 . 16558 1 523 . 1 1 44 44 PHE HE1 H 1 6.889 0.020 . 1 . . . . 40 PHE HE1 . 16558 1 524 . 1 1 44 44 PHE HE2 H 1 6.889 0.020 . 1 . . . . 40 PHE HE2 . 16558 1 525 . 1 1 44 44 PHE HZ H 1 6.734 0.020 . 1 . . . . 40 PHE HZ . 16558 1 526 . 1 1 44 44 PHE C C 13 176.075 0.3 . 1 . . . . 40 PHE C . 16558 1 527 . 1 1 44 44 PHE CA C 13 56.108 0.3 . 1 . . . . 40 PHE CA . 16558 1 528 . 1 1 44 44 PHE CB C 13 40.307 0.3 . 1 . . . . 40 PHE CB . 16558 1 529 . 1 1 44 44 PHE CD1 C 13 131.414 0.3 . 1 . . . . 40 PHE CD1 . 16558 1 530 . 1 1 44 44 PHE CD2 C 13 131.414 0.3 . 1 . . . . 40 PHE CD2 . 16558 1 531 . 1 1 44 44 PHE CE1 C 13 131.025 0.3 . 1 . . . . 40 PHE CE1 . 16558 1 532 . 1 1 44 44 PHE CE2 C 13 131.025 0.3 . 1 . . . . 40 PHE CE2 . 16558 1 533 . 1 1 44 44 PHE CZ C 13 132.910 0.3 . 1 . . . . 40 PHE CZ . 16558 1 534 . 1 1 44 44 PHE N N 15 122.094 0.3 . 1 . . . . 40 PHE N . 16558 1 535 . 1 1 45 45 LEU H H 1 9.353 0.020 . 1 . . . . 41 LEU H . 16558 1 536 . 1 1 45 45 LEU HA H 1 4.958 0.020 . 1 . . . . 41 LEU HA . 16558 1 537 . 1 1 45 45 LEU HB2 H 1 2.048 0.020 . 2 . . . . 41 LEU HB2 . 16558 1 538 . 1 1 45 45 LEU HB3 H 1 1.167 0.020 . 2 . . . . 41 LEU HB3 . 16558 1 539 . 1 1 45 45 LEU HD11 H 1 0.909 0.020 . 1 . . . . 41 LEU HD1 . 16558 1 540 . 1 1 45 45 LEU HD12 H 1 0.909 0.020 . 1 . . . . 41 LEU HD1 . 16558 1 541 . 1 1 45 45 LEU HD13 H 1 0.909 0.020 . 1 . . . . 41 LEU HD1 . 16558 1 542 . 1 1 45 45 LEU HD21 H 1 0.792 0.020 . 1 . . . . 41 LEU HD2 . 16558 1 543 . 1 1 45 45 LEU HD22 H 1 0.792 0.020 . 1 . . . . 41 LEU HD2 . 16558 1 544 . 1 1 45 45 LEU HD23 H 1 0.792 0.020 . 1 . . . . 41 LEU HD2 . 16558 1 545 . 1 1 45 45 LEU HG H 1 0.885 0.020 . 1 . . . . 41 LEU HG . 16558 1 546 . 1 1 45 45 LEU C C 13 176.834 0.3 . 1 . . . . 41 LEU C . 16558 1 547 . 1 1 45 45 LEU CA C 13 53.670 0.3 . 1 . . . . 41 LEU CA . 16558 1 548 . 1 1 45 45 LEU CB C 13 42.880 0.3 . 1 . . . . 41 LEU CB . 16558 1 549 . 1 1 45 45 LEU CD1 C 13 26.926 0.3 . 1 . . . . 41 LEU CD1 . 16558 1 550 . 1 1 45 45 LEU CD2 C 13 23.677 0.3 . 1 . . . . 41 LEU CD2 . 16558 1 551 . 1 1 45 45 LEU CG C 13 26.676 0.3 . 1 . . . . 41 LEU CG . 16558 1 552 . 1 1 45 45 LEU N N 15 123.821 0.3 . 1 . . . . 41 LEU N . 16558 1 553 . 1 1 46 46 GLN H H 1 9.245 0.020 . 1 . . . . 42 GLN H . 16558 1 554 . 1 1 46 46 GLN HA H 1 5.663 0.020 . 1 . . . . 42 GLN HA . 16558 1 555 . 1 1 46 46 GLN HB2 H 1 1.695 0.020 . 2 . . . . 42 GLN HB2 . 16558 1 556 . 1 1 46 46 GLN HB3 H 1 1.595 0.020 . 2 . . . . 42 GLN HB3 . 16558 1 557 . 1 1 46 46 GLN HE21 H 1 7.847 0.020 . 1 . . . . 42 GLN HE21 . 16558 1 558 . 1 1 46 46 GLN HE22 H 1 6.585 0.020 . 1 . . . . 42 GLN HE22 . 16558 1 559 . 1 1 46 46 GLN HG2 H 1 2.221 0.020 . 2 . . . . 42 GLN HG2 . 16558 1 560 . 1 1 46 46 GLN HG3 H 1 1.856 0.020 . 2 . . . . 42 GLN HG3 . 16558 1 561 . 1 1 46 46 GLN C C 13 175.385 0.3 . 1 . . . . 42 GLN C . 16558 1 562 . 1 1 46 46 GLN CA C 13 52.949 0.3 . 1 . . . . 42 GLN CA . 16558 1 563 . 1 1 46 46 GLN CB C 13 36.621 0.3 . 1 . . . . 42 GLN CB . 16558 1 564 . 1 1 46 46 GLN CG C 13 37.925 0.3 . 1 . . . . 42 GLN CG . 16558 1 565 . 1 1 46 46 GLN N N 15 121.490 0.3 . 1 . . . . 42 GLN N . 16558 1 566 . 1 1 46 46 GLN NE2 N 15 111.835 0.3 . 1 . . . . 42 GLN NE2 . 16558 1 567 . 1 1 47 47 ILE H H 1 8.621 0.020 . 1 . . . . 43 ILE H . 16558 1 568 . 1 1 47 47 ILE HA H 1 4.189 0.020 . 1 . . . . 43 ILE HA . 16558 1 569 . 1 1 47 47 ILE HB H 1 2.227 0.020 . 1 . . . . 43 ILE HB . 16558 1 570 . 1 1 47 47 ILE HD11 H 1 0.159 0.020 . 1 . . . . 43 ILE HD1 . 16558 1 571 . 1 1 47 47 ILE HD12 H 1 0.159 0.020 . 1 . . . . 43 ILE HD1 . 16558 1 572 . 1 1 47 47 ILE HD13 H 1 0.159 0.020 . 1 . . . . 43 ILE HD1 . 16558 1 573 . 1 1 47 47 ILE HG12 H 1 1.628 0.020 . 2 . . . . 43 ILE HG12 . 16558 1 574 . 1 1 47 47 ILE HG13 H 1 1.095 0.020 . 2 . . . . 43 ILE HG13 . 16558 1 575 . 1 1 47 47 ILE HG21 H 1 0.672 0.020 . 1 . . . . 43 ILE HG2 . 16558 1 576 . 1 1 47 47 ILE HG22 H 1 0.672 0.020 . 1 . . . . 43 ILE HG2 . 16558 1 577 . 1 1 47 47 ILE HG23 H 1 0.672 0.020 . 1 . . . . 43 ILE HG2 . 16558 1 578 . 1 1 47 47 ILE C C 13 175.644 0.3 . 1 . . . . 43 ILE C . 16558 1 579 . 1 1 47 47 ILE CA C 13 58.962 0.3 . 1 . . . . 43 ILE CA . 16558 1 580 . 1 1 47 47 ILE CB C 13 35.300 0.3 . 1 . . . . 43 ILE CB . 16558 1 581 . 1 1 47 47 ILE CD1 C 13 10.178 0.3 . 1 . . . . 43 ILE CD1 . 16558 1 582 . 1 1 47 47 ILE CG1 C 13 26.176 0.3 . 1 . . . . 43 ILE CG1 . 16558 1 583 . 1 1 47 47 ILE CG2 C 13 17.427 0.3 . 1 . . . . 43 ILE CG2 . 16558 1 584 . 1 1 47 47 ILE N N 15 119.874 0.3 . 1 . . . . 43 ILE N . 16558 1 585 . 1 1 48 48 LYS H H 1 9.269 0.020 . 1 . . . . 44 LYS H . 16558 1 586 . 1 1 48 48 LYS HA H 1 4.492 0.020 . 1 . . . . 44 LYS HA . 16558 1 587 . 1 1 48 48 LYS HB2 H 1 1.941 0.020 . 2 . . . . 44 LYS HB2 . 16558 1 588 . 1 1 48 48 LYS HB3 H 1 1.629 0.020 . 2 . . . . 44 LYS HB3 . 16558 1 589 . 1 1 48 48 LYS C C 13 174.332 0.3 . 1 . . . . 44 LYS C . 16558 1 590 . 1 1 48 48 LYS CA C 13 56.413 0.3 . 1 . . . . 44 LYS CA . 16558 1 591 . 1 1 48 48 LYS CB C 13 33.561 0.3 . 1 . . . . 44 LYS CB . 16558 1 592 . 1 1 48 48 LYS N N 15 132.356 0.3 . 1 . . . . 44 LYS N . 16558 1 593 . 1 1 49 49 SER H H 1 7.421 0.020 . 1 . . . . 45 SER H . 16558 1 594 . 1 1 49 49 SER HA H 1 4.623 0.020 . 1 . . . . 45 SER HA . 16558 1 595 . 1 1 49 49 SER HB2 H 1 3.785 0.020 . 2 . . . . 45 SER HB2 . 16558 1 596 . 1 1 49 49 SER HB3 H 1 3.753 0.020 . 2 . . . . 45 SER HB3 . 16558 1 597 . 1 1 49 49 SER C C 13 171.796 0.3 . 1 . . . . 45 SER C . 16558 1 598 . 1 1 49 49 SER CA C 13 57.078 0.3 . 1 . . . . 45 SER CA . 16558 1 599 . 1 1 49 49 SER CB C 13 65.273 0.3 . 1 . . . . 45 SER CB . 16558 1 600 . 1 1 49 49 SER N N 15 110.586 0.3 . 1 . . . . 45 SER N . 16558 1 601 . 1 1 50 50 LEU H H 1 8.618 0.020 . 1 . . . . 46 LEU H . 16558 1 602 . 1 1 50 50 LEU HA H 1 5.034 0.020 . 1 . . . . 46 LEU HA . 16558 1 603 . 1 1 50 50 LEU HB2 H 1 1.698 0.020 . 2 . . . . 46 LEU HB2 . 16558 1 604 . 1 1 50 50 LEU HB3 H 1 1.333 0.020 . 2 . . . . 46 LEU HB3 . 16558 1 605 . 1 1 50 50 LEU HD11 H 1 0.768 0.020 . 1 . . . . 46 LEU HD1 . 16558 1 606 . 1 1 50 50 LEU HD12 H 1 0.768 0.020 . 1 . . . . 46 LEU HD1 . 16558 1 607 . 1 1 50 50 LEU HD13 H 1 0.768 0.020 . 1 . . . . 46 LEU HD1 . 16558 1 608 . 1 1 50 50 LEU HD21 H 1 0.704 0.020 . 1 . . . . 46 LEU HD2 . 16558 1 609 . 1 1 50 50 LEU HD22 H 1 0.704 0.020 . 1 . . . . 46 LEU HD2 . 16558 1 610 . 1 1 50 50 LEU HD23 H 1 0.704 0.020 . 1 . . . . 46 LEU HD2 . 16558 1 611 . 1 1 50 50 LEU HG H 1 1.512 0.020 . 1 . . . . 46 LEU HG . 16558 1 612 . 1 1 50 50 LEU C C 13 176.437 0.3 . 1 . . . . 46 LEU C . 16558 1 613 . 1 1 50 50 LEU CA C 13 53.780 0.3 . 1 . . . . 46 LEU CA . 16558 1 614 . 1 1 50 50 LEU CB C 13 44.201 0.3 . 1 . . . . 46 LEU CB . 16558 1 615 . 1 1 50 50 LEU CD1 C 13 25.926 0.3 . 1 . . . . 46 LEU CD1 . 16558 1 616 . 1 1 50 50 LEU CD2 C 13 25.926 0.3 . 1 . . . . 46 LEU CD2 . 16558 1 617 . 1 1 50 50 LEU CG C 13 27.926 0.3 . 1 . . . . 46 LEU CG . 16558 1 618 . 1 1 50 50 LEU N N 15 121.596 0.3 . 1 . . . . 46 LEU N . 16558 1 619 . 1 1 51 51 VAL H H 1 7.649 0.020 . 1 . . . . 47 VAL H . 16558 1 620 . 1 1 51 51 VAL HA H 1 3.985 0.020 . 1 . . . . 47 VAL HA . 16558 1 621 . 1 1 51 51 VAL HB H 1 1.768 0.020 . 1 . . . . 47 VAL HB . 16558 1 622 . 1 1 51 51 VAL HG11 H 1 1.007 0.020 . 1 . . . . 47 VAL HG1 . 16558 1 623 . 1 1 51 51 VAL HG12 H 1 1.007 0.020 . 1 . . . . 47 VAL HG1 . 16558 1 624 . 1 1 51 51 VAL HG13 H 1 1.007 0.020 . 1 . . . . 47 VAL HG1 . 16558 1 625 . 1 1 51 51 VAL HG21 H 1 0.905 0.020 . 1 . . . . 47 VAL HG2 . 16558 1 626 . 1 1 51 51 VAL HG22 H 1 0.905 0.020 . 1 . . . . 47 VAL HG2 . 16558 1 627 . 1 1 51 51 VAL HG23 H 1 0.905 0.020 . 1 . . . . 47 VAL HG2 . 16558 1 628 . 1 1 51 51 VAL C C 13 177.749 0.3 . 1 . . . . 47 VAL C . 16558 1 629 . 1 1 51 51 VAL CA C 13 62.120 0.3 . 1 . . . . 47 VAL CA . 16558 1 630 . 1 1 51 51 VAL CB C 13 32.657 0.3 . 1 . . . . 47 VAL CB . 16558 1 631 . 1 1 51 51 VAL CG1 C 13 20.927 0.3 . 1 . . . . 47 VAL CG1 . 16558 1 632 . 1 1 51 51 VAL CG2 C 13 20.927 0.3 . 1 . . . . 47 VAL CG2 . 16558 1 633 . 1 1 51 51 VAL N N 15 123.369 0.3 . 1 . . . . 47 VAL N . 16558 1 634 . 1 1 52 52 LEU H H 1 8.895 0.020 . 1 . . . . 48 LEU H . 16558 1 635 . 1 1 52 52 LEU HA H 1 3.941 0.020 . 1 . . . . 48 LEU HA . 16558 1 636 . 1 1 52 52 LEU HB2 H 1 1.689 0.020 . 2 . . . . 48 LEU HB2 . 16558 1 637 . 1 1 52 52 LEU HB3 H 1 1.553 0.020 . 2 . . . . 48 LEU HB3 . 16558 1 638 . 1 1 52 52 LEU HD11 H 1 0.951 0.020 . 1 . . . . 48 LEU HD1 . 16558 1 639 . 1 1 52 52 LEU HD12 H 1 0.951 0.020 . 1 . . . . 48 LEU HD1 . 16558 1 640 . 1 1 52 52 LEU HD13 H 1 0.951 0.020 . 1 . . . . 48 LEU HD1 . 16558 1 641 . 1 1 52 52 LEU HD21 H 1 0.899 0.020 . 1 . . . . 48 LEU HD2 . 16558 1 642 . 1 1 52 52 LEU HD22 H 1 0.899 0.020 . 1 . . . . 48 LEU HD2 . 16558 1 643 . 1 1 52 52 LEU HD23 H 1 0.899 0.020 . 1 . . . . 48 LEU HD2 . 16558 1 644 . 1 1 52 52 LEU HG H 1 1.671 0.020 . 1 . . . . 48 LEU HG . 16558 1 645 . 1 1 52 52 LEU C C 13 177.007 0.3 . 1 . . . . 48 LEU C . 16558 1 646 . 1 1 52 52 LEU CA C 13 57.992 0.3 . 1 . . . . 48 LEU CA . 16558 1 647 . 1 1 52 52 LEU CB C 13 41.489 0.3 . 1 . . . . 48 LEU CB . 16558 1 648 . 1 1 52 52 LEU CD1 C 13 24.677 0.3 . 1 . . . . 48 LEU CD1 . 16558 1 649 . 1 1 52 52 LEU CD2 C 13 24.177 0.3 . 1 . . . . 48 LEU CD2 . 16558 1 650 . 1 1 52 52 LEU CG C 13 26.926 0.3 . 1 . . . . 48 LEU CG . 16558 1 651 . 1 1 52 52 LEU N N 15 131.685 0.3 . 1 . . . . 48 LEU N . 16558 1 652 . 1 1 53 53 ASP H H 1 8.547 0.020 . 1 . . . . 49 ASP H . 16558 1 653 . 1 1 53 53 ASP HA H 1 4.457 0.020 . 1 . . . . 49 ASP HA . 16558 1 654 . 1 1 53 53 ASP HB2 H 1 2.910 0.020 . 2 . . . . 49 ASP HB2 . 16558 1 655 . 1 1 53 53 ASP HB3 H 1 2.730 0.020 . 2 . . . . 49 ASP HB3 . 16558 1 656 . 1 1 53 53 ASP C C 13 175.540 0.3 . 1 . . . . 49 ASP C . 16558 1 657 . 1 1 53 53 ASP CA C 13 54.418 0.3 . 1 . . . . 49 ASP CA . 16558 1 658 . 1 1 53 53 ASP CB C 13 39.403 0.3 . 1 . . . . 49 ASP CB . 16558 1 659 . 1 1 53 53 ASP N N 15 117.828 0.3 . 1 . . . . 49 ASP N . 16558 1 660 . 1 1 54 54 GLY H H 1 7.714 0.020 . 1 . . . . 50 GLY H . 16558 1 661 . 1 1 54 54 GLY HA2 H 1 4.565 0.020 . 2 . . . . 50 GLY HA2 . 16558 1 662 . 1 1 54 54 GLY HA3 H 1 3.672 0.020 . 2 . . . . 50 GLY HA3 . 16558 1 663 . 1 1 54 54 GLY CA C 13 44.886 0.3 . 1 . . . . 50 GLY CA . 16558 1 664 . 1 1 54 54 GLY N N 15 106.536 0.3 . 1 . . . . 50 GLY N . 16558 1 665 . 1 1 55 55 PRO HA H 1 4.272 0.020 . 1 . . . . 51 PRO HA . 16558 1 666 . 1 1 55 55 PRO HB2 H 1 2.681 0.020 . 2 . . . . 51 PRO HB2 . 16558 1 667 . 1 1 55 55 PRO HB3 H 1 2.232 0.020 . 2 . . . . 51 PRO HB3 . 16558 1 668 . 1 1 55 55 PRO HD2 H 1 3.833 0.020 . 2 . . . . 51 PRO HD2 . 16558 1 669 . 1 1 55 55 PRO HD3 H 1 3.066 0.020 . 2 . . . . 51 PRO HD3 . 16558 1 670 . 1 1 55 55 PRO HG2 H 1 2.588 0.020 . 2 . . . . 51 PRO HG2 . 16558 1 671 . 1 1 55 55 PRO HG3 H 1 2.219 0.020 . 2 . . . . 51 PRO HG3 . 16558 1 672 . 1 1 55 55 PRO C C 13 179.578 0.3 . 1 . . . . 51 PRO C . 16558 1 673 . 1 1 55 55 PRO CA C 13 65.972 0.3 . 1 . . . . 51 PRO CA . 16558 1 674 . 1 1 55 55 PRO CB C 13 32.101 0.3 . 1 . . . . 51 PRO CB . 16558 1 675 . 1 1 55 55 PRO CD C 13 49.174 0.3 . 1 . . . . 51 PRO CD . 16558 1 676 . 1 1 55 55 PRO CG C 13 28.676 0.3 . 1 . . . . 51 PRO CG . 16558 1 677 . 1 1 56 56 ALA H H 1 7.772 0.020 . 1 . . . . 52 ALA H . 16558 1 678 . 1 1 56 56 ALA HA H 1 4.234 0.020 . 1 . . . . 52 ALA HA . 16558 1 679 . 1 1 56 56 ALA HB1 H 1 1.640 0.020 . 1 . . . . 52 ALA HB . 16558 1 680 . 1 1 56 56 ALA HB2 H 1 1.640 0.020 . 1 . . . . 52 ALA HB . 16558 1 681 . 1 1 56 56 ALA HB3 H 1 1.640 0.020 . 1 . . . . 52 ALA HB . 16558 1 682 . 1 1 56 56 ALA C C 13 180.389 0.3 . 1 . . . . 52 ALA C . 16558 1 683 . 1 1 56 56 ALA CA C 13 55.387 0.3 . 1 . . . . 52 ALA CA . 16558 1 684 . 1 1 56 56 ALA CB C 13 19.514 0.3 . 1 . . . . 52 ALA CB . 16558 1 685 . 1 1 56 56 ALA N N 15 119.780 0.3 . 1 . . . . 52 ALA N . 16558 1 686 . 1 1 57 57 ALA H H 1 9.698 0.020 . 1 . . . . 53 ALA H . 16558 1 687 . 1 1 57 57 ALA HA H 1 4.136 0.020 . 1 . . . . 53 ALA HA . 16558 1 688 . 1 1 57 57 ALA HB1 H 1 1.537 0.020 . 1 . . . . 53 ALA HB . 16558 1 689 . 1 1 57 57 ALA HB2 H 1 1.537 0.020 . 1 . . . . 53 ALA HB . 16558 1 690 . 1 1 57 57 ALA HB3 H 1 1.537 0.020 . 1 . . . . 53 ALA HB . 16558 1 691 . 1 1 57 57 ALA C C 13 180.320 0.3 . 1 . . . . 53 ALA C . 16558 1 692 . 1 1 57 57 ALA CA C 13 54.806 0.3 . 1 . . . . 53 ALA CA . 16558 1 693 . 1 1 57 57 ALA CB C 13 18.957 0.3 . 1 . . . . 53 ALA CB . 16558 1 694 . 1 1 57 57 ALA N N 15 125.981 0.3 . 1 . . . . 53 ALA N . 16558 1 695 . 1 1 58 58 LEU H H 1 8.253 0.020 . 1 . . . . 54 LEU H . 16558 1 696 . 1 1 58 58 LEU HA H 1 4.062 0.020 . 1 . . . . 54 LEU HA . 16558 1 697 . 1 1 58 58 LEU HB2 H 1 1.747 0.020 . 2 . . . . 54 LEU HB2 . 16558 1 698 . 1 1 58 58 LEU HB3 H 1 1.507 0.020 . 2 . . . . 54 LEU HB3 . 16558 1 699 . 1 1 58 58 LEU HD11 H 1 0.894 0.020 . 1 . . . . 54 LEU HD1 . 16558 1 700 . 1 1 58 58 LEU HD12 H 1 0.894 0.020 . 1 . . . . 54 LEU HD1 . 16558 1 701 . 1 1 58 58 LEU HD13 H 1 0.894 0.020 . 1 . . . . 54 LEU HD1 . 16558 1 702 . 1 1 58 58 LEU HD21 H 1 0.793 0.020 . 1 . . . . 54 LEU HD2 . 16558 1 703 . 1 1 58 58 LEU HD22 H 1 0.793 0.020 . 1 . . . . 54 LEU HD2 . 16558 1 704 . 1 1 58 58 LEU HD23 H 1 0.793 0.020 . 1 . . . . 54 LEU HD2 . 16558 1 705 . 1 1 58 58 LEU HG H 1 1.732 0.020 . 1 . . . . 54 LEU HG . 16558 1 706 . 1 1 58 58 LEU C C 13 179.302 0.3 . 1 . . . . 54 LEU C . 16558 1 707 . 1 1 58 58 LEU CA C 13 57.382 0.3 . 1 . . . . 54 LEU CA . 16558 1 708 . 1 1 58 58 LEU CB C 13 41.281 0.3 . 1 . . . . 54 LEU CB . 16558 1 709 . 1 1 58 58 LEU CD1 C 13 22.927 0.3 . 1 . . . . 54 LEU CD1 . 16558 1 710 . 1 1 58 58 LEU CD2 C 13 25.177 0.3 . 1 . . . . 54 LEU CD2 . 16558 1 711 . 1 1 58 58 LEU CG C 13 27.176 0.3 . 1 . . . . 54 LEU CG . 16558 1 712 . 1 1 58 58 LEU N N 15 119.015 0.3 . 1 . . . . 54 LEU N . 16558 1 713 . 1 1 59 59 ASP H H 1 7.754 0.020 . 1 . . . . 55 ASP H . 16558 1 714 . 1 1 59 59 ASP HA H 1 4.454 0.020 . 1 . . . . 55 ASP HA . 16558 1 715 . 1 1 59 59 ASP HB2 H 1 2.814 0.020 . 2 . . . . 55 ASP HB2 . 16558 1 716 . 1 1 59 59 ASP HB3 H 1 2.617 0.020 . 2 . . . . 55 ASP HB3 . 16558 1 717 . 1 1 59 59 ASP C C 13 177.818 0.3 . 1 . . . . 55 ASP C . 16558 1 718 . 1 1 59 59 ASP CA C 13 56.523 0.3 . 1 . . . . 55 ASP CA . 16558 1 719 . 1 1 59 59 ASP CB C 13 43.645 0.3 . 1 . . . . 55 ASP CB . 16558 1 720 . 1 1 59 59 ASP N N 15 118.664 0.3 . 1 . . . . 55 ASP N . 16558 1 721 . 1 1 60 60 GLY H H 1 7.396 0.020 . 1 . . . . 56 GLY H . 16558 1 722 . 1 1 60 60 GLY HA2 H 1 3.940 0.020 . 1 . . . . 56 GLY HA2 . 16558 1 723 . 1 1 60 60 GLY HA3 H 1 3.940 0.020 . 1 . . . . 56 GLY HA3 . 16558 1 724 . 1 1 60 60 GLY C C 13 174.677 0.3 . 1 . . . . 56 GLY C . 16558 1 725 . 1 1 60 60 GLY CA C 13 46.826 0.3 . 1 . . . . 56 GLY CA . 16558 1 726 . 1 1 60 60 GLY N N 15 103.380 0.3 . 1 . . . . 56 GLY N . 16558 1 727 . 1 1 61 61 LYS H H 1 7.834 0.020 . 1 . . . . 57 LYS H . 16558 1 728 . 1 1 61 61 LYS HA H 1 4.349 0.020 . 1 . . . . 57 LYS HA . 16558 1 729 . 1 1 61 61 LYS HB2 H 1 1.641 0.020 . 2 . . . . 57 LYS HB2 . 16558 1 730 . 1 1 61 61 LYS HB3 H 1 1.558 0.020 . 2 . . . . 57 LYS HB3 . 16558 1 731 . 1 1 61 61 LYS HG2 H 1 1.342 0.020 . 1 . . . . 57 LYS HG2 . 16558 1 732 . 1 1 61 61 LYS HG3 H 1 1.342 0.020 . 1 . . . . 57 LYS HG3 . 16558 1 733 . 1 1 61 61 LYS C C 13 176.834 0.3 . 1 . . . . 57 LYS C . 16558 1 734 . 1 1 61 61 LYS CA C 13 57.521 0.3 . 1 . . . . 57 LYS CA . 16558 1 735 . 1 1 61 61 LYS CB C 13 33.631 0.3 . 1 . . . . 57 LYS CB . 16558 1 736 . 1 1 61 61 LYS N N 15 118.748 0.3 . 1 . . . . 57 LYS N . 16558 1 737 . 1 1 62 62 MET H H 1 8.665 0.020 . 1 . . . . 58 MET H . 16558 1 738 . 1 1 62 62 MET HA H 1 3.930 0.020 . 1 . . . . 58 MET HA . 16558 1 739 . 1 1 62 62 MET HB2 H 1 1.820 0.020 . 2 . . . . 58 MET HB2 . 16558 1 740 . 1 1 62 62 MET HB3 H 1 1.631 0.020 . 2 . . . . 58 MET HB3 . 16558 1 741 . 1 1 62 62 MET HE1 H 1 1.149 0.020 . 1 . . . . 58 MET HE . 16558 1 742 . 1 1 62 62 MET HE2 H 1 1.149 0.020 . 1 . . . . 58 MET HE . 16558 1 743 . 1 1 62 62 MET HE3 H 1 1.149 0.020 . 1 . . . . 58 MET HE . 16558 1 744 . 1 1 62 62 MET HG2 H 1 2.128 0.020 . 1 . . . . 58 MET HG2 . 16558 1 745 . 1 1 62 62 MET HG3 H 1 2.128 0.020 . 1 . . . . 58 MET HG3 . 16558 1 746 . 1 1 62 62 MET C C 13 173.366 0.3 . 1 . . . . 58 MET C . 16558 1 747 . 1 1 62 62 MET CA C 13 55.775 0.3 . 1 . . . . 58 MET CA . 16558 1 748 . 1 1 62 62 MET CB C 13 35.856 0.3 . 1 . . . . 58 MET CB . 16558 1 749 . 1 1 62 62 MET CE C 13 16.177 0.3 . 1 . . . . 58 MET CE . 16558 1 750 . 1 1 62 62 MET CG C 13 31.176 0.3 . 1 . . . . 58 MET CG . 16558 1 751 . 1 1 62 62 MET N N 15 120.217 0.3 . 1 . . . . 58 MET N . 16558 1 752 . 1 1 63 63 GLU H H 1 8.524 0.020 . 1 . . . . 59 GLU H . 16558 1 753 . 1 1 63 63 GLU HA H 1 4.539 0.020 . 1 . . . . 59 GLU HA . 16558 1 754 . 1 1 63 63 GLU HB2 H 1 1.601 0.020 . 2 . . . . 59 GLU HB2 . 16558 1 755 . 1 1 63 63 GLU HB3 H 1 1.518 0.020 . 2 . . . . 59 GLU HB3 . 16558 1 756 . 1 1 63 63 GLU C C 13 175.989 0.3 . 1 . . . . 59 GLU C . 16558 1 757 . 1 1 63 63 GLU CA C 13 54.418 0.3 . 1 . . . . 59 GLU CA . 16558 1 758 . 1 1 63 63 GLU CB C 13 33.979 0.3 . 1 . . . . 59 GLU CB . 16558 1 759 . 1 1 63 63 GLU N N 15 122.158 0.3 . 1 . . . . 59 GLU N . 16558 1 760 . 1 1 64 64 THR H H 1 8.586 0.020 . 1 . . . . 60 THR H . 16558 1 761 . 1 1 64 64 THR HA H 1 3.622 0.020 . 1 . . . . 60 THR HA . 16558 1 762 . 1 1 64 64 THR HB H 1 4.088 0.020 . 1 . . . . 60 THR HB . 16558 1 763 . 1 1 64 64 THR HG21 H 1 1.207 0.020 . 1 . . . . 60 THR HG2 . 16558 1 764 . 1 1 64 64 THR HG22 H 1 1.207 0.020 . 1 . . . . 60 THR HG2 . 16558 1 765 . 1 1 64 64 THR HG23 H 1 1.207 0.020 . 1 . . . . 60 THR HG2 . 16558 1 766 . 1 1 64 64 THR C C 13 176.526 0.3 . 1 . . . . 60 THR C . 16558 1 767 . 1 1 64 64 THR CA C 13 63.949 0.3 . 1 . . . . 60 THR CA . 16558 1 768 . 1 1 64 64 THR CB C 13 68.472 0.3 . 1 . . . . 60 THR CB . 16558 1 769 . 1 1 64 64 THR CG2 C 13 22.677 0.3 . 1 . . . . 60 THR CG2 . 16558 1 770 . 1 1 64 64 THR N N 15 115.014 0.3 . 1 . . . . 60 THR N . 16558 1 771 . 1 1 65 65 GLY H H 1 10.151 0.020 . 1 . . . . 61 GLY H . 16558 1 772 . 1 1 65 65 GLY HA2 H 1 4.685 0.020 . 2 . . . . 61 GLY HA2 . 16558 1 773 . 1 1 65 65 GLY HA3 H 1 3.384 0.020 . 2 . . . . 61 GLY HA3 . 16558 1 774 . 1 1 65 65 GLY C C 13 174.919 0.3 . 1 . . . . 61 GLY C . 16558 1 775 . 1 1 65 65 GLY CA C 13 44.443 0.3 . 1 . . . . 61 GLY CA . 16558 1 776 . 1 1 65 65 GLY N N 15 114.849 0.3 . 1 . . . . 61 GLY N . 16558 1 777 . 1 1 66 66 ASP H H 1 8.006 0.020 . 1 . . . . 62 ASP H . 16558 1 778 . 1 1 66 66 ASP HA H 1 4.506 0.020 . 1 . . . . 62 ASP HA . 16558 1 779 . 1 1 66 66 ASP HB2 H 1 2.566 0.020 . 2 . . . . 62 ASP HB2 . 16558 1 780 . 1 1 66 66 ASP HB3 H 1 2.242 0.020 . 2 . . . . 62 ASP HB3 . 16558 1 781 . 1 1 66 66 ASP C C 13 175.368 0.3 . 1 . . . . 62 ASP C . 16558 1 782 . 1 1 66 66 ASP CA C 13 56.274 0.3 . 1 . . . . 62 ASP CA . 16558 1 783 . 1 1 66 66 ASP CB C 13 40.724 0.3 . 1 . . . . 62 ASP CB . 16558 1 784 . 1 1 66 66 ASP N N 15 125.517 0.3 . 1 . . . . 62 ASP N . 16558 1 785 . 1 1 67 67 VAL H H 1 8.744 0.020 . 1 . . . . 63 VAL H . 16558 1 786 . 1 1 67 67 VAL HA H 1 4.466 0.020 . 1 . . . . 63 VAL HA . 16558 1 787 . 1 1 67 67 VAL HB H 1 1.703 0.020 . 1 . . . . 63 VAL HB . 16558 1 788 . 1 1 67 67 VAL HG11 H 1 0.618 0.020 . 1 . . . . 63 VAL HG1 . 16558 1 789 . 1 1 67 67 VAL HG12 H 1 0.618 0.020 . 1 . . . . 63 VAL HG1 . 16558 1 790 . 1 1 67 67 VAL HG13 H 1 0.618 0.020 . 1 . . . . 63 VAL HG1 . 16558 1 791 . 1 1 67 67 VAL HG21 H 1 0.278 0.020 . 1 . . . . 63 VAL HG2 . 16558 1 792 . 1 1 67 67 VAL HG22 H 1 0.278 0.020 . 1 . . . . 63 VAL HG2 . 16558 1 793 . 1 1 67 67 VAL HG23 H 1 0.278 0.020 . 1 . . . . 63 VAL HG2 . 16558 1 794 . 1 1 67 67 VAL C C 13 176.955 0.3 . 1 . . . . 63 VAL C . 16558 1 795 . 1 1 67 67 VAL CA C 13 60.984 0.3 . 1 . . . . 63 VAL CA . 16558 1 796 . 1 1 67 67 VAL CB C 13 34.326 0.3 . 1 . . . . 63 VAL CB . 16558 1 797 . 1 1 67 67 VAL CG1 C 13 22.427 0.3 . 1 . . . . 63 VAL CG1 . 16558 1 798 . 1 1 67 67 VAL CG2 C 13 20.177 0.3 . 1 . . . . 63 VAL CG2 . 16558 1 799 . 1 1 67 67 VAL N N 15 123.050 0.3 . 1 . . . . 63 VAL N . 16558 1 800 . 1 1 68 68 ILE H H 1 8.530 0.020 . 1 . . . . 64 ILE H . 16558 1 801 . 1 1 68 68 ILE HA H 1 3.845 0.020 . 1 . . . . 64 ILE HA . 16558 1 802 . 1 1 68 68 ILE HB H 1 1.701 0.020 . 1 . . . . 64 ILE HB . 16558 1 803 . 1 1 68 68 ILE HD11 H 1 0.826 0.020 . 1 . . . . 64 ILE HD1 . 16558 1 804 . 1 1 68 68 ILE HD12 H 1 0.826 0.020 . 1 . . . . 64 ILE HD1 . 16558 1 805 . 1 1 68 68 ILE HD13 H 1 0.826 0.020 . 1 . . . . 64 ILE HD1 . 16558 1 806 . 1 1 68 68 ILE HG12 H 1 1.530 0.020 . 2 . . . . 64 ILE HG12 . 16558 1 807 . 1 1 68 68 ILE HG13 H 1 0.482 0.020 . 2 . . . . 64 ILE HG13 . 16558 1 808 . 1 1 68 68 ILE HG21 H 1 0.627 0.020 . 1 . . . . 64 ILE HG2 . 16558 1 809 . 1 1 68 68 ILE HG22 H 1 0.627 0.020 . 1 . . . . 64 ILE HG2 . 16558 1 810 . 1 1 68 68 ILE HG23 H 1 0.627 0.020 . 1 . . . . 64 ILE HG2 . 16558 1 811 . 1 1 68 68 ILE C C 13 172.658 0.3 . 1 . . . . 64 ILE C . 16558 1 812 . 1 1 68 68 ILE CA C 13 62.758 0.3 . 1 . . . . 64 ILE CA . 16558 1 813 . 1 1 68 68 ILE CB C 13 37.247 0.3 . 1 . . . . 64 ILE CB . 16558 1 814 . 1 1 68 68 ILE CD1 C 13 13.928 0.3 . 1 . . . . 64 ILE CD1 . 16558 1 815 . 1 1 68 68 ILE CG1 C 13 27.426 0.3 . 1 . . . . 64 ILE CG1 . 16558 1 816 . 1 1 68 68 ILE CG2 C 13 18.427 0.3 . 1 . . . . 64 ILE CG2 . 16558 1 817 . 1 1 68 68 ILE N N 15 126.501 0.3 . 1 . . . . 64 ILE N . 16558 1 818 . 1 1 69 69 VAL H H 1 8.844 0.020 . 1 . . . . 65 VAL H . 16558 1 819 . 1 1 69 69 VAL HA H 1 3.893 0.020 . 1 . . . . 65 VAL HA . 16558 1 820 . 1 1 69 69 VAL HB H 1 1.746 0.020 . 1 . . . . 65 VAL HB . 16558 1 821 . 1 1 69 69 VAL HG11 H 1 0.971 0.020 . 1 . . . . 65 VAL HG1 . 16558 1 822 . 1 1 69 69 VAL HG12 H 1 0.971 0.020 . 1 . . . . 65 VAL HG1 . 16558 1 823 . 1 1 69 69 VAL HG13 H 1 0.971 0.020 . 1 . . . . 65 VAL HG1 . 16558 1 824 . 1 1 69 69 VAL HG21 H 1 0.729 0.020 . 1 . . . . 65 VAL HG2 . 16558 1 825 . 1 1 69 69 VAL HG22 H 1 0.729 0.020 . 1 . . . . 65 VAL HG2 . 16558 1 826 . 1 1 69 69 VAL HG23 H 1 0.729 0.020 . 1 . . . . 65 VAL HG2 . 16558 1 827 . 1 1 69 69 VAL C C 13 176.541 0.3 . 1 . . . . 65 VAL C . 16558 1 828 . 1 1 69 69 VAL CA C 13 64.088 0.3 . 1 . . . . 65 VAL CA . 16558 1 829 . 1 1 69 69 VAL CB C 13 32.866 0.3 . 1 . . . . 65 VAL CB . 16558 1 830 . 1 1 69 69 VAL CG1 C 13 21.677 0.3 . 1 . . . . 65 VAL CG1 . 16558 1 831 . 1 1 69 69 VAL CG2 C 13 23.427 0.3 . 1 . . . . 65 VAL CG2 . 16558 1 832 . 1 1 69 69 VAL N N 15 128.716 0.3 . 1 . . . . 65 VAL N . 16558 1 833 . 1 1 70 70 SER H H 1 7.844 0.020 . 1 . . . . 66 SER H . 16558 1 834 . 1 1 70 70 SER HA H 1 5.303 0.020 . 1 . . . . 66 SER HA . 16558 1 835 . 1 1 70 70 SER HB2 H 1 3.580 0.020 . 2 . . . . 66 SER HB2 . 16558 1 836 . 1 1 70 70 SER HB3 H 1 3.516 0.020 . 2 . . . . 66 SER HB3 . 16558 1 837 . 1 1 70 70 SER C C 13 172.279 0.3 . 1 . . . . 66 SER C . 16558 1 838 . 1 1 70 70 SER CA C 13 56.939 0.3 . 1 . . . . 66 SER CA . 16558 1 839 . 1 1 70 70 SER CB C 13 65.968 0.3 . 1 . . . . 66 SER CB . 16558 1 840 . 1 1 70 70 SER N N 15 110.804 0.3 . 1 . . . . 66 SER N . 16558 1 841 . 1 1 71 71 VAL H H 1 8.360 0.020 . 1 . . . . 67 VAL H . 16558 1 842 . 1 1 71 71 VAL HA H 1 4.477 0.020 . 1 . . . . 67 VAL HA . 16558 1 843 . 1 1 71 71 VAL HB H 1 1.732 0.020 . 1 . . . . 67 VAL HB . 16558 1 844 . 1 1 71 71 VAL HG11 H 1 0.705 0.020 . 1 . . . . 67 VAL HG1 . 16558 1 845 . 1 1 71 71 VAL HG12 H 1 0.705 0.020 . 1 . . . . 67 VAL HG1 . 16558 1 846 . 1 1 71 71 VAL HG13 H 1 0.705 0.020 . 1 . . . . 67 VAL HG1 . 16558 1 847 . 1 1 71 71 VAL HG21 H 1 0.705 0.020 . 1 . . . . 67 VAL HG2 . 16558 1 848 . 1 1 71 71 VAL HG22 H 1 0.705 0.020 . 1 . . . . 67 VAL HG2 . 16558 1 849 . 1 1 71 71 VAL HG23 H 1 0.705 0.020 . 1 . . . . 67 VAL HG2 . 16558 1 850 . 1 1 71 71 VAL C C 13 175.956 0.3 . 1 . . . . 67 VAL C . 16558 1 851 . 1 1 71 71 VAL CA C 13 60.846 0.3 . 1 . . . . 67 VAL CA . 16558 1 852 . 1 1 71 71 VAL CB C 13 33.700 0.3 . 1 . . . . 67 VAL CB . 16558 1 853 . 1 1 71 71 VAL CG1 C 13 21.427 0.3 . 1 . . . . 67 VAL CG1 . 16558 1 854 . 1 1 71 71 VAL CG2 C 13 21.427 0.3 . 1 . . . . 67 VAL CG2 . 16558 1 855 . 1 1 71 71 VAL N N 15 121.775 0.3 . 1 . . . . 67 VAL N . 16558 1 856 . 1 1 72 72 ASN H H 1 9.994 0.020 . 1 . . . . 68 ASN H . 16558 1 857 . 1 1 72 72 ASN HA H 1 4.560 0.020 . 1 . . . . 68 ASN HA . 16558 1 858 . 1 1 72 72 ASN HB2 H 1 3.160 0.020 . 2 . . . . 68 ASN HB2 . 16558 1 859 . 1 1 72 72 ASN HB3 H 1 2.959 0.020 . 2 . . . . 68 ASN HB3 . 16558 1 860 . 1 1 72 72 ASN HD21 H 1 8.010 0.020 . 1 . . . . 68 ASN HD21 . 16558 1 861 . 1 1 72 72 ASN HD22 H 1 6.971 0.020 . 1 . . . . 68 ASN HD22 . 16558 1 862 . 1 1 72 72 ASN CA C 13 54.667 0.3 . 1 . . . . 68 ASN CA . 16558 1 863 . 1 1 72 72 ASN CB C 13 36.343 0.3 . 1 . . . . 68 ASN CB . 16558 1 864 . 1 1 72 72 ASN N N 15 128.330 0.3 . 1 . . . . 68 ASN N . 16558 1 865 . 1 1 72 72 ASN ND2 N 15 112.270 0.3 . 1 . . . . 68 ASN ND2 . 16558 1 866 . 1 1 73 73 ASP H H 1 8.868 0.020 . 1 . . . . 69 ASP H . 16558 1 867 . 1 1 73 73 ASP HA H 1 4.324 0.020 . 1 . . . . 69 ASP HA . 16558 1 868 . 1 1 73 73 ASP HB2 H 1 2.885 0.020 . 2 . . . . 69 ASP HB2 . 16558 1 869 . 1 1 73 73 ASP HB3 H 1 2.848 0.020 . 2 . . . . 69 ASP HB3 . 16558 1 870 . 1 1 73 73 ASP C C 13 175.350 0.3 . 1 . . . . 69 ASP C . 16558 1 871 . 1 1 73 73 ASP CA C 13 55.748 0.3 . 1 . . . . 69 ASP CA . 16558 1 872 . 1 1 73 73 ASP CB C 13 40.029 0.3 . 1 . . . . 69 ASP CB . 16558 1 873 . 1 1 73 73 ASP N N 15 114.741 0.3 . 1 . . . . 69 ASP N . 16558 1 874 . 1 1 74 74 THR H H 1 8.022 0.020 . 1 . . . . 70 THR H . 16558 1 875 . 1 1 74 74 THR HA H 1 4.350 0.020 . 1 . . . . 70 THR HA . 16558 1 876 . 1 1 74 74 THR HB H 1 4.084 0.020 . 1 . . . . 70 THR HB . 16558 1 877 . 1 1 74 74 THR HG21 H 1 1.103 0.020 . 1 . . . . 70 THR HG2 . 16558 1 878 . 1 1 74 74 THR HG22 H 1 1.103 0.020 . 1 . . . . 70 THR HG2 . 16558 1 879 . 1 1 74 74 THR HG23 H 1 1.103 0.020 . 1 . . . . 70 THR HG2 . 16558 1 880 . 1 1 74 74 THR C C 13 172.900 0.3 . 1 . . . . 70 THR C . 16558 1 881 . 1 1 74 74 THR CA C 13 62.176 0.3 . 1 . . . . 70 THR CA . 16558 1 882 . 1 1 74 74 THR CB C 13 70.210 0.3 . 1 . . . . 70 THR CB . 16558 1 883 . 1 1 74 74 THR CG2 C 13 21.177 0.3 . 1 . . . . 70 THR CG2 . 16558 1 884 . 1 1 74 74 THR N N 15 118.446 0.3 . 1 . . . . 70 THR N . 16558 1 885 . 1 1 75 75 CYS H H 1 9.092 0.020 . 1 . . . . 71 CYS H . 16558 1 886 . 1 1 75 75 CYS HA H 1 4.544 0.020 . 1 . . . . 71 CYS HA . 16558 1 887 . 1 1 75 75 CYS HB2 H 1 3.236 0.020 . 2 . . . . 71 CYS HB2 . 16558 1 888 . 1 1 75 75 CYS HB3 H 1 2.823 0.020 . 2 . . . . 71 CYS HB3 . 16558 1 889 . 1 1 75 75 CYS C C 13 175.713 0.3 . 1 . . . . 71 CYS C . 16558 1 890 . 1 1 75 75 CYS CA C 13 59.654 0.3 . 1 . . . . 71 CYS CA . 16558 1 891 . 1 1 75 75 CYS CB C 13 27.163 0.3 . 1 . . . . 71 CYS CB . 16558 1 892 . 1 1 75 75 CYS N N 15 129.387 0.3 . 1 . . . . 71 CYS N . 16558 1 893 . 1 1 76 76 VAL H H 1 8.762 0.020 . 1 . . . . 72 VAL H . 16558 1 894 . 1 1 76 76 VAL HA H 1 3.969 0.020 . 1 . . . . 72 VAL HA . 16558 1 895 . 1 1 76 76 VAL HB H 1 2.034 0.020 . 1 . . . . 72 VAL HB . 16558 1 896 . 1 1 76 76 VAL HG11 H 1 0.420 0.020 . 1 . . . . 72 VAL HG1 . 16558 1 897 . 1 1 76 76 VAL HG12 H 1 0.420 0.020 . 1 . . . . 72 VAL HG1 . 16558 1 898 . 1 1 76 76 VAL HG13 H 1 0.420 0.020 . 1 . . . . 72 VAL HG1 . 16558 1 899 . 1 1 76 76 VAL HG21 H 1 0.268 0.020 . 1 . . . . 72 VAL HG2 . 16558 1 900 . 1 1 76 76 VAL HG22 H 1 0.268 0.020 . 1 . . . . 72 VAL HG2 . 16558 1 901 . 1 1 76 76 VAL HG23 H 1 0.268 0.020 . 1 . . . . 72 VAL HG2 . 16558 1 902 . 1 1 76 76 VAL C C 13 176.610 0.3 . 1 . . . . 72 VAL C . 16558 1 903 . 1 1 76 76 VAL CA C 13 59.848 0.3 . 1 . . . . 72 VAL CA . 16558 1 904 . 1 1 76 76 VAL CB C 13 30.571 0.3 . 1 . . . . 72 VAL CB . 16558 1 905 . 1 1 76 76 VAL CG1 C 13 19.677 0.3 . 1 . . . . 72 VAL CG1 . 16558 1 906 . 1 1 76 76 VAL CG2 C 13 20.427 0.3 . 1 . . . . 72 VAL CG2 . 16558 1 907 . 1 1 76 76 VAL N N 15 121.775 0.3 . 1 . . . . 72 VAL N . 16558 1 908 . 1 1 77 77 LEU H H 1 7.783 0.020 . 1 . . . . 73 LEU H . 16558 1 909 . 1 1 77 77 LEU HA H 1 4.633 0.020 . 1 . . . . 73 LEU HA . 16558 1 910 . 1 1 77 77 LEU HB2 H 1 2.007 0.020 . 2 . . . . 73 LEU HB2 . 16558 1 911 . 1 1 77 77 LEU HB3 H 1 1.819 0.020 . 2 . . . . 73 LEU HB3 . 16558 1 912 . 1 1 77 77 LEU HD11 H 1 1.098 0.020 . 1 . . . . 73 LEU HD1 . 16558 1 913 . 1 1 77 77 LEU HD12 H 1 1.098 0.020 . 1 . . . . 73 LEU HD1 . 16558 1 914 . 1 1 77 77 LEU HD13 H 1 1.098 0.020 . 1 . . . . 73 LEU HD1 . 16558 1 915 . 1 1 77 77 LEU HD21 H 1 0.719 0.020 . 1 . . . . 73 LEU HD2 . 16558 1 916 . 1 1 77 77 LEU HD22 H 1 0.719 0.020 . 1 . . . . 73 LEU HD2 . 16558 1 917 . 1 1 77 77 LEU HD23 H 1 0.719 0.020 . 1 . . . . 73 LEU HD2 . 16558 1 918 . 1 1 77 77 LEU HG H 1 1.951 0.020 . 1 . . . . 73 LEU HG . 16558 1 919 . 1 1 77 77 LEU C C 13 178.034 0.3 . 1 . . . . 73 LEU C . 16558 1 920 . 1 1 77 77 LEU CA C 13 56.634 0.3 . 1 . . . . 73 LEU CA . 16558 1 921 . 1 1 77 77 LEU CB C 13 40.585 0.3 . 1 . . . . 73 LEU CB . 16558 1 922 . 1 1 77 77 LEU CD1 C 13 23.427 0.3 . 1 . . . . 73 LEU CD1 . 16558 1 923 . 1 1 77 77 LEU CD2 C 13 25.177 0.3 . 1 . . . . 73 LEU CD2 . 16558 1 924 . 1 1 77 77 LEU CG C 13 26.176 0.3 . 1 . . . . 73 LEU CG . 16558 1 925 . 1 1 77 77 LEU N N 15 124.208 0.3 . 1 . . . . 73 LEU N . 16558 1 926 . 1 1 78 78 GLY H H 1 9.831 0.020 . 1 . . . . 74 GLY H . 16558 1 927 . 1 1 78 78 GLY HA2 H 1 4.688 0.020 . 2 . . . . 74 GLY HA2 . 16558 1 928 . 1 1 78 78 GLY HA3 H 1 3.920 0.020 . 2 . . . . 74 GLY HA3 . 16558 1 929 . 1 1 78 78 GLY C C 13 174.867 0.3 . 1 . . . . 74 GLY C . 16558 1 930 . 1 1 78 78 GLY CA C 13 45.884 0.3 . 1 . . . . 74 GLY CA . 16558 1 931 . 1 1 78 78 GLY N N 15 117.374 0.3 . 1 . . . . 74 GLY N . 16558 1 932 . 1 1 79 79 HIS H H 1 8.388 0.020 . 1 . . . . 75 HIS H . 16558 1 933 . 1 1 79 79 HIS HA H 1 4.734 0.020 . 1 . . . . 75 HIS HA . 16558 1 934 . 1 1 79 79 HIS HB2 H 1 3.447 0.020 . 2 . . . . 75 HIS HB2 . 16558 1 935 . 1 1 79 79 HIS HB3 H 1 3.103 0.020 . 2 . . . . 75 HIS HB3 . 16558 1 936 . 1 1 79 79 HIS HD2 H 1 6.416 0.020 . 1 . . . . 75 HIS HD2 . 16558 1 937 . 1 1 79 79 HIS HE1 H 1 7.638 0.020 . 1 . . . . 75 HIS HE1 . 16558 1 938 . 1 1 79 79 HIS C C 13 176.610 0.3 . 1 . . . . 75 HIS C . 16558 1 939 . 1 1 79 79 HIS CA C 13 56.468 0.3 . 1 . . . . 75 HIS CA . 16558 1 940 . 1 1 79 79 HIS CB C 13 31.197 0.3 . 1 . . . . 75 HIS CB . 16558 1 941 . 1 1 79 79 HIS CD2 C 13 118.471 0.3 . 1 . . . . 75 HIS CD2 . 16558 1 942 . 1 1 79 79 HIS CE1 C 13 139.136 0.3 . 1 . . . . 75 HIS CE1 . 16558 1 943 . 1 1 79 79 HIS N N 15 123.271 0.3 . 1 . . . . 75 HIS N . 16558 1 944 . 1 1 80 80 THR H H 1 8.615 0.020 . 1 . . . . 76 THR H . 16558 1 945 . 1 1 80 80 THR HA H 1 4.550 0.020 . 1 . . . . 76 THR HA . 16558 1 946 . 1 1 80 80 THR HB H 1 4.846 0.020 . 1 . . . . 76 THR HB . 16558 1 947 . 1 1 80 80 THR HG21 H 1 1.118 0.020 . 1 . . . . 76 THR HG2 . 16558 1 948 . 1 1 80 80 THR HG22 H 1 1.118 0.020 . 1 . . . . 76 THR HG2 . 16558 1 949 . 1 1 80 80 THR HG23 H 1 1.118 0.020 . 1 . . . . 76 THR HG2 . 16558 1 950 . 1 1 80 80 THR C C 13 175.747 0.3 . 1 . . . . 76 THR C . 16558 1 951 . 1 1 80 80 THR CA C 13 60.209 0.3 . 1 . . . . 76 THR CA . 16558 1 952 . 1 1 80 80 THR CB C 13 70.906 0.3 . 1 . . . . 76 THR CB . 16558 1 953 . 1 1 80 80 THR CG2 C 13 21.427 0.3 . 1 . . . . 76 THR CG2 . 16558 1 954 . 1 1 80 80 THR N N 15 110.250 0.3 . 1 . . . . 76 THR N . 16558 1 955 . 1 1 81 81 HIS H H 1 9.148 0.020 . 1 . . . . 77 HIS H . 16558 1 956 . 1 1 81 81 HIS HA H 1 4.025 0.020 . 1 . . . . 77 HIS HA . 16558 1 957 . 1 1 81 81 HIS HB2 H 1 3.568 0.020 . 2 . . . . 77 HIS HB2 . 16558 1 958 . 1 1 81 81 HIS HB3 H 1 3.138 0.020 . 2 . . . . 77 HIS HB3 . 16558 1 959 . 1 1 81 81 HIS HD2 H 1 6.825 0.020 . 1 . . . . 77 HIS HD2 . 16558 1 960 . 1 1 81 81 HIS HE1 H 1 7.929 0.020 . 1 . . . . 77 HIS HE1 . 16558 1 961 . 1 1 81 81 HIS C C 13 177.283 0.3 . 1 . . . . 77 HIS C . 16558 1 962 . 1 1 81 81 HIS CA C 13 60.430 0.3 . 1 . . . . 77 HIS CA . 16558 1 963 . 1 1 81 81 HIS CB C 13 29.250 0.3 . 1 . . . . 77 HIS CB . 16558 1 964 . 1 1 81 81 HIS CD2 C 13 119.838 0.3 . 1 . . . . 77 HIS CD2 . 16558 1 965 . 1 1 81 81 HIS CE1 C 13 138.122 0.3 . 1 . . . . 77 HIS CE1 . 16558 1 966 . 1 1 81 81 HIS N N 15 122.177 0.3 . 1 . . . . 77 HIS N . 16558 1 967 . 1 1 82 82 ALA H H 1 8.611 0.020 . 1 . . . . 78 ALA H . 16558 1 968 . 1 1 82 82 ALA HA H 1 4.043 0.020 . 1 . . . . 78 ALA HA . 16558 1 969 . 1 1 82 82 ALA HB1 H 1 1.429 0.020 . 1 . . . . 78 ALA HB . 16558 1 970 . 1 1 82 82 ALA HB2 H 1 1.429 0.020 . 1 . . . . 78 ALA HB . 16558 1 971 . 1 1 82 82 ALA HB3 H 1 1.429 0.020 . 1 . . . . 78 ALA HB . 16558 1 972 . 1 1 82 82 ALA C C 13 181.062 0.3 . 1 . . . . 78 ALA C . 16558 1 973 . 1 1 82 82 ALA CA C 13 55.110 0.3 . 1 . . . . 78 ALA CA . 16558 1 974 . 1 1 82 82 ALA CB C 13 18.193 0.3 . 1 . . . . 78 ALA CB . 16558 1 975 . 1 1 82 82 ALA N N 15 119.800 0.3 . 1 . . . . 78 ALA N . 16558 1 976 . 1 1 83 83 GLN H H 1 7.792 0.020 . 1 . . . . 79 GLN H . 16558 1 977 . 1 1 83 83 GLN HA H 1 3.965 0.020 . 1 . . . . 79 GLN HA . 16558 1 978 . 1 1 83 83 GLN HB2 H 1 2.452 0.020 . 2 . . . . 79 GLN HB2 . 16558 1 979 . 1 1 83 83 GLN HB3 H 1 1.930 0.020 . 2 . . . . 79 GLN HB3 . 16558 1 980 . 1 1 83 83 GLN HE21 H 1 7.307 0.020 . 1 . . . . 79 GLN HE21 . 16558 1 981 . 1 1 83 83 GLN HE22 H 1 6.473 0.020 . 1 . . . . 79 GLN HE22 . 16558 1 982 . 1 1 83 83 GLN HG2 H 1 2.416 0.020 . 2 . . . . 79 GLN HG2 . 16558 1 983 . 1 1 83 83 GLN HG3 H 1 2.317 0.020 . 2 . . . . 79 GLN HG3 . 16558 1 984 . 1 1 83 83 GLN C C 13 179.578 0.3 . 1 . . . . 79 GLN C . 16558 1 985 . 1 1 83 83 GLN CA C 13 58.879 0.3 . 1 . . . . 79 GLN CA . 16558 1 986 . 1 1 83 83 GLN CB C 13 29.458 0.3 . 1 . . . . 79 GLN CB . 16558 1 987 . 1 1 83 83 GLN CG C 13 34.926 0.3 . 1 . . . . 79 GLN CG . 16558 1 988 . 1 1 83 83 GLN N N 15 116.917 0.3 . 1 . . . . 79 GLN N . 16558 1 989 . 1 1 83 83 GLN NE2 N 15 111.059 0.3 . 1 . . . . 79 GLN NE2 . 16558 1 990 . 1 1 84 84 VAL H H 1 8.166 0.020 . 1 . . . . 80 VAL H . 16558 1 991 . 1 1 84 84 VAL HA H 1 3.862 0.020 . 1 . . . . 80 VAL HA . 16558 1 992 . 1 1 84 84 VAL HB H 1 1.944 0.020 . 1 . . . . 80 VAL HB . 16558 1 993 . 1 1 84 84 VAL HG11 H 1 0.883 0.020 . 1 . . . . 80 VAL HG1 . 16558 1 994 . 1 1 84 84 VAL HG12 H 1 0.883 0.020 . 1 . . . . 80 VAL HG1 . 16558 1 995 . 1 1 84 84 VAL HG13 H 1 0.883 0.020 . 1 . . . . 80 VAL HG1 . 16558 1 996 . 1 1 84 84 VAL HG21 H 1 0.864 0.020 . 1 . . . . 80 VAL HG2 . 16558 1 997 . 1 1 84 84 VAL HG22 H 1 0.864 0.020 . 1 . . . . 80 VAL HG2 . 16558 1 998 . 1 1 84 84 VAL HG23 H 1 0.864 0.020 . 1 . . . . 80 VAL HG2 . 16558 1 999 . 1 1 84 84 VAL C C 13 176.783 0.3 . 1 . . . . 80 VAL C . 16558 1 1000 . 1 1 84 84 VAL CA C 13 65.501 0.3 . 1 . . . . 80 VAL CA . 16558 1 1001 . 1 1 84 84 VAL CB C 13 31.266 0.3 . 1 . . . . 80 VAL CB . 16558 1 1002 . 1 1 84 84 VAL CG1 C 13 24.427 0.3 . 1 . . . . 80 VAL CG1 . 16558 1 1003 . 1 1 84 84 VAL CG2 C 13 21.677 0.3 . 1 . . . . 80 VAL CG2 . 16558 1 1004 . 1 1 84 84 VAL N N 15 121.020 0.3 . 1 . . . . 80 VAL N . 16558 1 1005 . 1 1 85 85 VAL H H 1 8.501 0.020 . 1 . . . . 81 VAL H . 16558 1 1006 . 1 1 85 85 VAL HA H 1 3.751 0.020 . 1 . . . . 81 VAL HA . 16558 1 1007 . 1 1 85 85 VAL HB H 1 2.118 0.020 . 1 . . . . 81 VAL HB . 16558 1 1008 . 1 1 85 85 VAL HG11 H 1 0.960 0.020 . 1 . . . . 81 VAL HG1 . 16558 1 1009 . 1 1 85 85 VAL HG12 H 1 0.960 0.020 . 1 . . . . 81 VAL HG1 . 16558 1 1010 . 1 1 85 85 VAL HG13 H 1 0.960 0.020 . 1 . . . . 81 VAL HG1 . 16558 1 1011 . 1 1 85 85 VAL HG21 H 1 0.960 0.020 . 1 . . . . 81 VAL HG2 . 16558 1 1012 . 1 1 85 85 VAL HG22 H 1 0.960 0.020 . 1 . . . . 81 VAL HG2 . 16558 1 1013 . 1 1 85 85 VAL HG23 H 1 0.960 0.020 . 1 . . . . 81 VAL HG2 . 16558 1 1014 . 1 1 85 85 VAL C C 13 178.577 0.3 . 1 . . . . 81 VAL C . 16558 1 1015 . 1 1 85 85 VAL CA C 13 66.997 0.3 . 1 . . . . 81 VAL CA . 16558 1 1016 . 1 1 85 85 VAL CB C 13 30.919 0.3 . 1 . . . . 81 VAL CB . 16558 1 1017 . 1 1 85 85 VAL CG1 C 13 23.177 0.3 . 1 . . . . 81 VAL CG1 . 16558 1 1018 . 1 1 85 85 VAL CG2 C 13 21.427 0.3 . 1 . . . . 81 VAL CG2 . 16558 1 1019 . 1 1 85 85 VAL N N 15 122.408 0.3 . 1 . . . . 81 VAL N . 16558 1 1020 . 1 1 86 86 LYS H H 1 7.420 0.020 . 1 . . . . 82 LYS H . 16558 1 1021 . 1 1 86 86 LYS HA H 1 4.114 0.020 . 1 . . . . 82 LYS HA . 16558 1 1022 . 1 1 86 86 LYS HB2 H 1 1.954 0.020 . 2 . . . . 82 LYS HB2 . 16558 1 1023 . 1 1 86 86 LYS HB3 H 1 1.911 0.020 . 2 . . . . 82 LYS HB3 . 16558 1 1024 . 1 1 86 86 LYS HD2 H 1 1.702 0.020 . 1 . . . . 82 LYS HD2 . 16558 1 1025 . 1 1 86 86 LYS HD3 H 1 1.702 0.020 . 1 . . . . 82 LYS HD3 . 16558 1 1026 . 1 1 86 86 LYS HE2 H 1 2.980 0.020 . 1 . . . . 82 LYS HE2 . 16558 1 1027 . 1 1 86 86 LYS HE3 H 1 2.980 0.020 . 1 . . . . 82 LYS HE3 . 16558 1 1028 . 1 1 86 86 LYS HG2 H 1 1.571 0.020 . 2 . . . . 82 LYS HG2 . 16558 1 1029 . 1 1 86 86 LYS HG3 H 1 1.469 0.020 . 2 . . . . 82 LYS HG3 . 16558 1 1030 . 1 1 86 86 LYS C C 13 179.578 0.3 . 1 . . . . 82 LYS C . 16558 1 1031 . 1 1 86 86 LYS CA C 13 59.433 0.3 . 1 . . . . 82 LYS CA . 16558 1 1032 . 1 1 86 86 LYS CB C 13 31.962 0.3 . 1 . . . . 82 LYS CB . 16558 1 1033 . 1 1 86 86 LYS CD C 13 29.176 0.3 . 1 . . . . 82 LYS CD . 16558 1 1034 . 1 1 86 86 LYS CE C 13 41.925 0.3 . 1 . . . . 82 LYS CE . 16558 1 1035 . 1 1 86 86 LYS CG C 13 25.177 0.3 . 1 . . . . 82 LYS CG . 16558 1 1036 . 1 1 86 86 LYS N N 15 119.880 0.3 . 1 . . . . 82 LYS N . 16558 1 1037 . 1 1 87 87 ILE H H 1 7.333 0.020 . 1 . . . . 83 ILE H . 16558 1 1038 . 1 1 87 87 ILE HA H 1 3.711 0.020 . 1 . . . . 83 ILE HA . 16558 1 1039 . 1 1 87 87 ILE HB H 1 1.802 0.020 . 1 . . . . 83 ILE HB . 16558 1 1040 . 1 1 87 87 ILE HD11 H 1 0.821 0.020 . 1 . . . . 83 ILE HD1 . 16558 1 1041 . 1 1 87 87 ILE HD12 H 1 0.821 0.020 . 1 . . . . 83 ILE HD1 . 16558 1 1042 . 1 1 87 87 ILE HD13 H 1 0.821 0.020 . 1 . . . . 83 ILE HD1 . 16558 1 1043 . 1 1 87 87 ILE HG12 H 1 1.883 0.020 . 2 . . . . 83 ILE HG12 . 16558 1 1044 . 1 1 87 87 ILE HG13 H 1 1.045 0.020 . 2 . . . . 83 ILE HG13 . 16558 1 1045 . 1 1 87 87 ILE HG21 H 1 0.723 0.020 . 1 . . . . 83 ILE HG2 . 16558 1 1046 . 1 1 87 87 ILE HG22 H 1 0.723 0.020 . 1 . . . . 83 ILE HG2 . 16558 1 1047 . 1 1 87 87 ILE HG23 H 1 0.723 0.020 . 1 . . . . 83 ILE HG2 . 16558 1 1048 . 1 1 87 87 ILE C C 13 179.837 0.3 . 1 . . . . 83 ILE C . 16558 1 1049 . 1 1 87 87 ILE CA C 13 65.528 0.3 . 1 . . . . 83 ILE CA . 16558 1 1050 . 1 1 87 87 ILE CB C 13 37.664 0.3 . 1 . . . . 83 ILE CB . 16558 1 1051 . 1 1 87 87 ILE CD1 C 13 13.678 0.3 . 1 . . . . 83 ILE CD1 . 16558 1 1052 . 1 1 87 87 ILE CG1 C 13 27.926 0.3 . 1 . . . . 83 ILE CG1 . 16558 1 1053 . 1 1 87 87 ILE CG2 C 13 16.677 0.3 . 1 . . . . 83 ILE CG2 . 16558 1 1054 . 1 1 87 87 ILE N N 15 120.568 0.3 . 1 . . . . 83 ILE N . 16558 1 1055 . 1 1 88 88 PHE H H 1 7.930 0.020 . 1 . . . . 84 PHE H . 16558 1 1056 . 1 1 88 88 PHE HA H 1 4.664 0.020 . 1 . . . . 84 PHE HA . 16558 1 1057 . 1 1 88 88 PHE HB2 H 1 3.551 0.020 . 2 . . . . 84 PHE HB2 . 16558 1 1058 . 1 1 88 88 PHE HB3 H 1 3.374 0.020 . 2 . . . . 84 PHE HB3 . 16558 1 1059 . 1 1 88 88 PHE HD1 H 1 7.158 0.020 . 1 . . . . 84 PHE HD1 . 16558 1 1060 . 1 1 88 88 PHE HD2 H 1 7.158 0.020 . 1 . . . . 84 PHE HD2 . 16558 1 1061 . 1 1 88 88 PHE HE1 H 1 7.040 0.020 . 1 . . . . 84 PHE HE1 . 16558 1 1062 . 1 1 88 88 PHE HE2 H 1 7.040 0.020 . 1 . . . . 84 PHE HE2 . 16558 1 1063 . 1 1 88 88 PHE HZ H 1 6.918 0.020 . 1 . . . . 84 PHE HZ . 16558 1 1064 . 1 1 88 88 PHE C C 13 179.561 0.3 . 1 . . . . 84 PHE C . 16558 1 1065 . 1 1 88 88 PHE CA C 13 59.516 0.3 . 1 . . . . 84 PHE CA . 16558 1 1066 . 1 1 88 88 PHE CB C 13 37.386 0.3 . 1 . . . . 84 PHE CB . 16558 1 1067 . 1 1 88 88 PHE CD1 C 13 130.247 0.3 . 1 . . . . 84 PHE CD1 . 16558 1 1068 . 1 1 88 88 PHE CD2 C 13 130.247 0.3 . 1 . . . . 84 PHE CD2 . 16558 1 1069 . 1 1 88 88 PHE CE1 C 13 130.666 0.3 . 1 . . . . 84 PHE CE1 . 16558 1 1070 . 1 1 88 88 PHE CE2 C 13 130.666 0.3 . 1 . . . . 84 PHE CE2 . 16558 1 1071 . 1 1 88 88 PHE CZ C 13 128.063 0.3 . 1 . . . . 84 PHE CZ . 16558 1 1072 . 1 1 88 88 PHE N N 15 118.748 0.3 . 1 . . . . 84 PHE N . 16558 1 1073 . 1 1 89 89 GLN H H 1 8.975 0.020 . 1 . . . . 85 GLN H . 16558 1 1074 . 1 1 89 89 GLN HA H 1 4.067 0.020 . 1 . . . . 85 GLN HA . 16558 1 1075 . 1 1 89 89 GLN HB2 H 1 2.289 0.020 . 2 . . . . 85 GLN HB2 . 16558 1 1076 . 1 1 89 89 GLN HB3 H 1 2.158 0.020 . 2 . . . . 85 GLN HB3 . 16558 1 1077 . 1 1 89 89 GLN HE21 H 1 7.501 0.020 . 1 . . . . 85 GLN HE21 . 16558 1 1078 . 1 1 89 89 GLN HE22 H 1 6.857 0.020 . 1 . . . . 85 GLN HE22 . 16558 1 1079 . 1 1 89 89 GLN HG2 H 1 2.641 0.020 . 2 . . . . 85 GLN HG2 . 16558 1 1080 . 1 1 89 89 GLN HG3 H 1 2.492 0.020 . 2 . . . . 85 GLN HG3 . 16558 1 1081 . 1 1 89 89 GLN C C 13 176.972 0.3 . 1 . . . . 85 GLN C . 16558 1 1082 . 1 1 89 89 GLN CA C 13 58.602 0.3 . 1 . . . . 85 GLN CA . 16558 1 1083 . 1 1 89 89 GLN CB C 13 28.624 0.3 . 1 . . . . 85 GLN CB . 16558 1 1084 . 1 1 89 89 GLN CG C 13 34.176 0.3 . 1 . . . . 85 GLN CG . 16558 1 1085 . 1 1 89 89 GLN N N 15 119.795 0.3 . 1 . . . . 85 GLN N . 16558 1 1086 . 1 1 89 89 GLN NE2 N 15 112.213 0.3 . 1 . . . . 85 GLN NE2 . 16558 1 1087 . 1 1 90 90 SER H H 1 7.675 0.020 . 1 . . . . 86 SER H . 16558 1 1088 . 1 1 90 90 SER HA H 1 4.325 0.020 . 1 . . . . 86 SER HA . 16558 1 1089 . 1 1 90 90 SER HB2 H 1 4.068 0.020 . 1 . . . . 86 SER HB2 . 16558 1 1090 . 1 1 90 90 SER HB3 H 1 4.068 0.020 . 1 . . . . 86 SER HB3 . 16558 1 1091 . 1 1 90 90 SER C C 13 174.056 0.3 . 1 . . . . 86 SER C . 16558 1 1092 . 1 1 90 90 SER CA C 13 59.904 0.3 . 1 . . . . 86 SER CA . 16558 1 1093 . 1 1 90 90 SER CB C 13 63.812 0.3 . 1 . . . . 86 SER CB . 16558 1 1094 . 1 1 90 90 SER N N 15 113.454 0.3 . 1 . . . . 86 SER N . 16558 1 1095 . 1 1 91 91 ILE H H 1 7.242 0.020 . 1 . . . . 87 ILE H . 16558 1 1096 . 1 1 91 91 ILE HA H 1 4.364 0.020 . 1 . . . . 87 ILE HA . 16558 1 1097 . 1 1 91 91 ILE HB H 1 2.118 0.020 . 1 . . . . 87 ILE HB . 16558 1 1098 . 1 1 91 91 ILE HD11 H 1 1.026 0.020 . 1 . . . . 87 ILE HD1 . 16558 1 1099 . 1 1 91 91 ILE HD12 H 1 1.026 0.020 . 1 . . . . 87 ILE HD1 . 16558 1 1100 . 1 1 91 91 ILE HD13 H 1 1.026 0.020 . 1 . . . . 87 ILE HD1 . 16558 1 1101 . 1 1 91 91 ILE HG12 H 1 2.017 0.020 . 2 . . . . 87 ILE HG12 . 16558 1 1102 . 1 1 91 91 ILE HG13 H 1 1.620 0.020 . 2 . . . . 87 ILE HG13 . 16558 1 1103 . 1 1 91 91 ILE HG21 H 1 1.189 0.020 . 1 . . . . 87 ILE HG2 . 16558 1 1104 . 1 1 91 91 ILE HG22 H 1 1.189 0.020 . 1 . . . . 87 ILE HG2 . 16558 1 1105 . 1 1 91 91 ILE HG23 H 1 1.189 0.020 . 1 . . . . 87 ILE HG2 . 16558 1 1106 . 1 1 91 91 ILE CA C 13 58.823 0.3 . 1 . . . . 87 ILE CA . 16558 1 1107 . 1 1 91 91 ILE CB C 13 38.707 0.3 . 1 . . . . 87 ILE CB . 16558 1 1108 . 1 1 91 91 ILE CD1 C 13 12.928 0.3 . 1 . . . . 87 ILE CD1 . 16558 1 1109 . 1 1 91 91 ILE CG1 C 13 27.426 0.3 . 1 . . . . 87 ILE CG1 . 16558 1 1110 . 1 1 91 91 ILE CG2 C 13 16.927 0.3 . 1 . . . . 87 ILE CG2 . 16558 1 1111 . 1 1 91 91 ILE N N 15 126.422 0.3 . 1 . . . . 87 ILE N . 16558 1 1112 . 1 1 92 92 PRO HA H 1 4.488 0.020 . 1 . . . . 88 PRO HA . 16558 1 1113 . 1 1 92 92 PRO HB2 H 1 2.331 0.020 . 2 . . . . 88 PRO HB2 . 16558 1 1114 . 1 1 92 92 PRO HB3 H 1 1.821 0.020 . 2 . . . . 88 PRO HB3 . 16558 1 1115 . 1 1 92 92 PRO HD2 H 1 4.128 0.020 . 2 . . . . 88 PRO HD2 . 16558 1 1116 . 1 1 92 92 PRO HD3 H 1 3.648 0.020 . 2 . . . . 88 PRO HD3 . 16558 1 1117 . 1 1 92 92 PRO HG2 H 1 2.049 0.020 . 1 . . . . 88 PRO HG2 . 16558 1 1118 . 1 1 92 92 PRO HG3 H 1 2.049 0.020 . 1 . . . . 88 PRO HG3 . 16558 1 1119 . 1 1 92 92 PRO C C 13 176.748 0.3 . 1 . . . . 88 PRO C . 16558 1 1120 . 1 1 92 92 PRO CA C 13 62.808 0.3 . 1 . . . . 88 PRO CA . 16558 1 1121 . 1 1 92 92 PRO CB C 13 32.171 0.3 . 1 . . . . 88 PRO CB . 16558 1 1122 . 1 1 92 92 PRO CD C 13 51.174 0.3 . 1 . . . . 88 PRO CD . 16558 1 1123 . 1 1 92 92 PRO CG C 13 27.676 0.3 . 1 . . . . 88 PRO CG . 16558 1 1124 . 1 1 93 93 ILE H H 1 8.353 0.020 . 1 . . . . 89 ILE H . 16558 1 1125 . 1 1 93 93 ILE HA H 1 3.131 0.020 . 1 . . . . 89 ILE HA . 16558 1 1126 . 1 1 93 93 ILE HB H 1 1.614 0.020 . 1 . . . . 89 ILE HB . 16558 1 1127 . 1 1 93 93 ILE HD11 H 1 0.884 0.020 . 1 . . . . 89 ILE HD1 . 16558 1 1128 . 1 1 93 93 ILE HD12 H 1 0.884 0.020 . 1 . . . . 89 ILE HD1 . 16558 1 1129 . 1 1 93 93 ILE HD13 H 1 0.884 0.020 . 1 . . . . 89 ILE HD1 . 16558 1 1130 . 1 1 93 93 ILE HG12 H 1 0.935 0.020 . 2 . . . . 89 ILE HG12 . 16558 1 1131 . 1 1 93 93 ILE HG13 H 1 0.882 0.020 . 2 . . . . 89 ILE HG13 . 16558 1 1132 . 1 1 93 93 ILE HG21 H 1 0.760 0.020 . 1 . . . . 89 ILE HG2 . 16558 1 1133 . 1 1 93 93 ILE HG22 H 1 0.760 0.020 . 1 . . . . 89 ILE HG2 . 16558 1 1134 . 1 1 93 93 ILE HG23 H 1 0.760 0.020 . 1 . . . . 89 ILE HG2 . 16558 1 1135 . 1 1 93 93 ILE C C 13 177.680 0.3 . 1 . . . . 89 ILE C . 16558 1 1136 . 1 1 93 93 ILE CA C 13 64.642 0.3 . 1 . . . . 89 ILE CA . 16558 1 1137 . 1 1 93 93 ILE CB C 13 37.247 0.3 . 1 . . . . 89 ILE CB . 16558 1 1138 . 1 1 93 93 ILE CD1 C 13 12.806 0.3 . 1 . . . . 89 ILE CD1 . 16558 1 1139 . 1 1 93 93 ILE CG1 C 13 28.676 0.3 . 1 . . . . 89 ILE CG1 . 16558 1 1140 . 1 1 93 93 ILE CG2 C 13 17.177 0.3 . 1 . . . . 89 ILE CG2 . 16558 1 1141 . 1 1 93 93 ILE N N 15 121.560 0.3 . 1 . . . . 89 ILE N . 16558 1 1142 . 1 1 94 94 GLY H H 1 8.668 0.020 . 1 . . . . 90 GLY H . 16558 1 1143 . 1 1 94 94 GLY HA2 H 1 4.438 0.020 . 2 . . . . 90 GLY HA2 . 16558 1 1144 . 1 1 94 94 GLY HA3 H 1 3.137 0.020 . 2 . . . . 90 GLY HA3 . 16558 1 1145 . 1 1 94 94 GLY C C 13 173.677 0.3 . 1 . . . . 90 GLY C . 16558 1 1146 . 1 1 94 94 GLY CA C 13 44.942 0.3 . 1 . . . . 90 GLY CA . 16558 1 1147 . 1 1 94 94 GLY N N 15 116.893 0.3 . 1 . . . . 90 GLY N . 16558 1 1148 . 1 1 95 95 ALA H H 1 8.036 0.020 . 1 . . . . 91 ALA H . 16558 1 1149 . 1 1 95 95 ALA HA H 1 4.707 0.020 . 1 . . . . 91 ALA HA . 16558 1 1150 . 1 1 95 95 ALA HB1 H 1 1.628 0.020 . 1 . . . . 91 ALA HB . 16558 1 1151 . 1 1 95 95 ALA HB2 H 1 1.628 0.020 . 1 . . . . 91 ALA HB . 16558 1 1152 . 1 1 95 95 ALA HB3 H 1 1.628 0.020 . 1 . . . . 91 ALA HB . 16558 1 1153 . 1 1 95 95 ALA C C 13 175.937 0.3 . 1 . . . . 91 ALA C . 16558 1 1154 . 1 1 95 95 ALA CA C 13 51.231 0.3 . 1 . . . . 91 ALA CA . 16558 1 1155 . 1 1 95 95 ALA CB C 13 20.140 0.3 . 1 . . . . 91 ALA CB . 16558 1 1156 . 1 1 95 95 ALA N N 15 125.131 0.3 . 1 . . . . 91 ALA N . 16558 1 1157 . 1 1 96 96 SER H H 1 8.374 0.020 . 1 . . . . 92 SER H . 16558 1 1158 . 1 1 96 96 SER HA H 1 5.817 0.020 . 1 . . . . 92 SER HA . 16558 1 1159 . 1 1 96 96 SER HB2 H 1 3.664 0.020 . 2 . . . . 92 SER HB2 . 16558 1 1160 . 1 1 96 96 SER HB3 H 1 3.554 0.020 . 2 . . . . 92 SER HB3 . 16558 1 1161 . 1 1 96 96 SER C C 13 173.642 0.3 . 1 . . . . 92 SER C . 16558 1 1162 . 1 1 96 96 SER CA C 13 57.438 0.3 . 1 . . . . 92 SER CA . 16558 1 1163 . 1 1 96 96 SER CB C 13 65.968 0.3 . 1 . . . . 92 SER CB . 16558 1 1164 . 1 1 96 96 SER N N 15 113.119 0.3 . 1 . . . . 92 SER N . 16558 1 1165 . 1 1 97 97 VAL H H 1 9.068 0.020 . 1 . . . . 93 VAL H . 16558 1 1166 . 1 1 97 97 VAL HA H 1 4.868 0.020 . 1 . . . . 93 VAL HA . 16558 1 1167 . 1 1 97 97 VAL HB H 1 1.859 0.020 . 1 . . . . 93 VAL HB . 16558 1 1168 . 1 1 97 97 VAL HG11 H 1 0.884 0.020 . 1 . . . . 93 VAL HG1 . 16558 1 1169 . 1 1 97 97 VAL HG12 H 1 0.884 0.020 . 1 . . . . 93 VAL HG1 . 16558 1 1170 . 1 1 97 97 VAL HG13 H 1 0.884 0.020 . 1 . . . . 93 VAL HG1 . 16558 1 1171 . 1 1 97 97 VAL HG21 H 1 0.500 0.020 . 1 . . . . 93 VAL HG2 . 16558 1 1172 . 1 1 97 97 VAL HG22 H 1 0.500 0.020 . 1 . . . . 93 VAL HG2 . 16558 1 1173 . 1 1 97 97 VAL HG23 H 1 0.500 0.020 . 1 . . . . 93 VAL HG2 . 16558 1 1174 . 1 1 97 97 VAL C C 13 172.348 0.3 . 1 . . . . 93 VAL C . 16558 1 1175 . 1 1 97 97 VAL CA C 13 58.934 0.3 . 1 . . . . 93 VAL CA . 16558 1 1176 . 1 1 97 97 VAL CB C 13 35.648 0.3 . 1 . . . . 93 VAL CB . 16558 1 1177 . 1 1 97 97 VAL CG1 C 13 22.927 0.3 . 1 . . . . 93 VAL CG1 . 16558 1 1178 . 1 1 97 97 VAL CG2 C 13 20.927 0.3 . 1 . . . . 93 VAL CG2 . 16558 1 1179 . 1 1 97 97 VAL N N 15 121.070 0.3 . 1 . . . . 93 VAL N . 16558 1 1180 . 1 1 98 98 ASP H H 1 8.426 0.020 . 1 . . . . 94 ASP H . 16558 1 1181 . 1 1 98 98 ASP HA H 1 5.209 0.020 . 1 . . . . 94 ASP HA . 16558 1 1182 . 1 1 98 98 ASP HB2 H 1 2.689 0.020 . 2 . . . . 94 ASP HB2 . 16558 1 1183 . 1 1 98 98 ASP HB3 H 1 2.642 0.020 . 2 . . . . 94 ASP HB3 . 16558 1 1184 . 1 1 98 98 ASP C C 13 175.851 0.3 . 1 . . . . 94 ASP C . 16558 1 1185 . 1 1 98 98 ASP CA C 13 53.725 0.3 . 1 . . . . 94 ASP CA . 16558 1 1186 . 1 1 98 98 ASP CB C 13 43.019 0.3 . 1 . . . . 94 ASP CB . 16558 1 1187 . 1 1 98 98 ASP N N 15 126.468 0.3 . 1 . . . . 94 ASP N . 16558 1 1188 . 1 1 99 99 LEU H H 1 9.102 0.020 . 1 . . . . 95 LEU H . 16558 1 1189 . 1 1 99 99 LEU HA H 1 5.110 0.020 . 1 . . . . 95 LEU HA . 16558 1 1190 . 1 1 99 99 LEU HB2 H 1 1.518 0.020 . 2 . . . . 95 LEU HB2 . 16558 1 1191 . 1 1 99 99 LEU HB3 H 1 1.064 0.020 . 2 . . . . 95 LEU HB3 . 16558 1 1192 . 1 1 99 99 LEU HD11 H 1 0.488 0.020 . 1 . . . . 95 LEU HD1 . 16558 1 1193 . 1 1 99 99 LEU HD12 H 1 0.488 0.020 . 1 . . . . 95 LEU HD1 . 16558 1 1194 . 1 1 99 99 LEU HD13 H 1 0.488 0.020 . 1 . . . . 95 LEU HD1 . 16558 1 1195 . 1 1 99 99 LEU HD21 H 1 0.911 0.020 . 1 . . . . 95 LEU HD2 . 16558 1 1196 . 1 1 99 99 LEU HD22 H 1 0.911 0.020 . 1 . . . . 95 LEU HD2 . 16558 1 1197 . 1 1 99 99 LEU HD23 H 1 0.911 0.020 . 1 . . . . 95 LEU HD2 . 16558 1 1198 . 1 1 99 99 LEU HG H 1 1.468 0.020 . 1 . . . . 95 LEU HG . 16558 1 1199 . 1 1 99 99 LEU C C 13 174.626 0.3 . 1 . . . . 95 LEU C . 16558 1 1200 . 1 1 99 99 LEU CA C 13 53.559 0.3 . 1 . . . . 95 LEU CA . 16558 1 1201 . 1 1 99 99 LEU CB C 13 45.731 0.3 . 1 . . . . 95 LEU CB . 16558 1 1202 . 1 1 99 99 LEU CD1 C 13 26.676 0.3 . 1 . . . . 95 LEU CD1 . 16558 1 1203 . 1 1 99 99 LEU CD2 C 13 25.177 0.3 . 1 . . . . 95 LEU CD2 . 16558 1 1204 . 1 1 99 99 LEU CG C 13 26.676 0.3 . 1 . . . . 95 LEU CG . 16558 1 1205 . 1 1 99 99 LEU N N 15 124.828 0.3 . 1 . . . . 95 LEU N . 16558 1 1206 . 1 1 100 100 GLU H H 1 8.088 0.020 . 1 . . . . 96 GLU H . 16558 1 1207 . 1 1 100 100 GLU HA H 1 4.962 0.020 . 1 . . . . 96 GLU HA . 16558 1 1208 . 1 1 100 100 GLU HB2 H 1 2.107 0.020 . 2 . . . . 96 GLU HB2 . 16558 1 1209 . 1 1 100 100 GLU HB3 H 1 1.817 0.020 . 2 . . . . 96 GLU HB3 . 16558 1 1210 . 1 1 100 100 GLU HG2 H 1 1.984 0.020 . 2 . . . . 96 GLU HG2 . 16558 1 1211 . 1 1 100 100 GLU HG3 H 1 1.928 0.020 . 2 . . . . 96 GLU HG3 . 16558 1 1212 . 1 1 100 100 GLU C C 13 174.677 0.3 . 1 . . . . 96 GLU C . 16558 1 1213 . 1 1 100 100 GLU CA C 13 55.000 0.3 . 1 . . . . 96 GLU CA . 16558 1 1214 . 1 1 100 100 GLU CB C 13 32.310 0.3 . 1 . . . . 96 GLU CB . 16558 1 1215 . 1 1 100 100 GLU CG C 13 36.425 0.3 . 1 . . . . 96 GLU CG . 16558 1 1216 . 1 1 100 100 GLU N N 15 123.020 0.3 . 1 . . . . 96 GLU N . 16558 1 1217 . 1 1 101 101 LEU H H 1 9.427 0.020 . 1 . . . . 97 LEU H . 16558 1 1218 . 1 1 101 101 LEU HA H 1 5.614 0.020 . 1 . . . . 97 LEU HA . 16558 1 1219 . 1 1 101 101 LEU HB2 H 1 1.581 0.020 . 2 . . . . 97 LEU HB2 . 16558 1 1220 . 1 1 101 101 LEU HB3 H 1 1.346 0.020 . 2 . . . . 97 LEU HB3 . 16558 1 1221 . 1 1 101 101 LEU HD11 H 1 0.665 0.020 . 1 . . . . 97 LEU HD1 . 16558 1 1222 . 1 1 101 101 LEU HD12 H 1 0.665 0.020 . 1 . . . . 97 LEU HD1 . 16558 1 1223 . 1 1 101 101 LEU HD13 H 1 0.665 0.020 . 1 . . . . 97 LEU HD1 . 16558 1 1224 . 1 1 101 101 LEU HD21 H 1 0.665 0.020 . 1 . . . . 97 LEU HD2 . 16558 1 1225 . 1 1 101 101 LEU HD22 H 1 0.665 0.020 . 1 . . . . 97 LEU HD2 . 16558 1 1226 . 1 1 101 101 LEU HD23 H 1 0.665 0.020 . 1 . . . . 97 LEU HD2 . 16558 1 1227 . 1 1 101 101 LEU HG H 1 1.447 0.020 . 1 . . . . 97 LEU HG . 16558 1 1228 . 1 1 101 101 LEU C C 13 175.471 0.3 . 1 . . . . 97 LEU C . 16558 1 1229 . 1 1 101 101 LEU CA C 13 52.450 0.3 . 1 . . . . 97 LEU CA . 16558 1 1230 . 1 1 101 101 LEU CB C 13 44.619 0.3 . 1 . . . . 97 LEU CB . 16558 1 1231 . 1 1 101 101 LEU CD1 C 13 25.177 0.3 . 1 . . . . 97 LEU CD1 . 16558 1 1232 . 1 1 101 101 LEU CD2 C 13 25.177 0.3 . 1 . . . . 97 LEU CD2 . 16558 1 1233 . 1 1 101 101 LEU CG C 13 27.426 0.3 . 1 . . . . 97 LEU CG . 16558 1 1234 . 1 1 101 101 LEU N N 15 127.206 0.3 . 1 . . . . 97 LEU N . 16558 1 1235 . 1 1 102 102 CYS H H 1 9.089 0.020 . 1 . . . . 98 CYS H . 16558 1 1236 . 1 1 102 102 CYS HA H 1 4.926 0.020 . 1 . . . . 98 CYS HA . 16558 1 1237 . 1 1 102 102 CYS HB2 H 1 2.030 0.020 . 1 . . . . 98 CYS HB2 . 16558 1 1238 . 1 1 102 102 CYS HB3 H 1 2.030 0.020 . 1 . . . . 98 CYS HB3 . 16558 1 1239 . 1 1 102 102 CYS C C 13 173.543 0.3 . 1 . . . . 98 CYS C . 16558 1 1240 . 1 1 102 102 CYS CA C 13 56.939 0.3 . 1 . . . . 98 CYS CA . 16558 1 1241 . 1 1 102 102 CYS CB C 13 28.693 0.3 . 1 . . . . 98 CYS CB . 16558 1 1242 . 1 1 102 102 CYS N N 15 119.443 0.3 . 1 . . . . 98 CYS N . 16558 1 1243 . 1 1 103 103 ARG H H 1 9.879 0.020 . 1 . . . . 99 ARG H . 16558 1 1244 . 1 1 103 103 ARG HA H 1 4.520 0.020 . 1 . . . . 99 ARG HA . 16558 1 1245 . 1 1 103 103 ARG HB2 H 1 1.623 0.020 . 1 . . . . 99 ARG HB2 . 16558 1 1246 . 1 1 103 103 ARG HB3 H 1 1.623 0.020 . 1 . . . . 99 ARG HB3 . 16558 1 1247 . 1 1 103 103 ARG HD2 H 1 3.272 0.020 . 2 . . . . 99 ARG HD2 . 16558 1 1248 . 1 1 103 103 ARG HD3 H 1 2.752 0.020 . 2 . . . . 99 ARG HD3 . 16558 1 1249 . 1 1 103 103 ARG HE H 1 9.061 0.020 . 1 . . . . 99 ARG HE . 16558 1 1250 . 1 1 103 103 ARG HG2 H 1 1.512 0.020 . 1 . . . . 99 ARG HG2 . 16558 1 1251 . 1 1 103 103 ARG HG3 H 1 1.512 0.020 . 1 . . . . 99 ARG HG3 . 16558 1 1252 . 1 1 103 103 ARG HH11 H 1 9.772 0.020 . 1 . . . . 99 ARG HH11 . 16558 1 1253 . 1 1 103 103 ARG HH12 H 1 8.530 0.020 . 1 . . . . 99 ARG HH12 . 16558 1 1254 . 1 1 103 103 ARG HH21 H 1 6.650 0.020 . 1 . . . . 99 ARG HH21 . 16558 1 1255 . 1 1 103 103 ARG HH22 H 1 6.650 0.020 . 1 . . . . 99 ARG HH22 . 16558 1 1256 . 1 1 103 103 ARG C C 13 174.833 0.3 . 1 . . . . 99 ARG C . 16558 1 1257 . 1 1 103 103 ARG CA C 13 56.662 0.3 . 1 . . . . 99 ARG CA . 16558 1 1258 . 1 1 103 103 ARG CB C 13 33.005 0.3 . 1 . . . . 99 ARG CB . 16558 1 1259 . 1 1 103 103 ARG CD C 13 43.303 0.3 . 1 . . . . 99 ARG CD . 16558 1 1260 . 1 1 103 103 ARG CG C 13 25.555 0.3 . 1 . . . . 99 ARG CG . 16558 1 1261 . 1 1 103 103 ARG CZ C 13 159.761 0.3 . 1 . . . . 99 ARG CZ . 16558 1 1262 . 1 1 103 103 ARG N N 15 137.523 0.3 . 1 . . . . 99 ARG N . 16558 1 1263 . 1 1 103 103 ARG NE N 15 115.336 0.3 . 1 . . . . 99 ARG NE . 16558 1 1264 . 1 1 103 103 ARG NH1 N 15 75.320 0.3 . 1 . . . . 99 ARG NH1 . 16558 1 1265 . 1 1 103 103 ARG NH2 N 15 71.783 0.3 . 1 . . . . 99 ARG NH2 . 16558 1 1266 . 1 1 104 104 GLY H H 1 8.760 0.020 . 1 . . . . 100 GLY H . 16558 1 1267 . 1 1 104 104 GLY HA2 H 1 4.347 0.020 . 2 . . . . 100 GLY HA2 . 16558 1 1268 . 1 1 104 104 GLY HA3 H 1 3.515 0.020 . 2 . . . . 100 GLY HA3 . 16558 1 1269 . 1 1 104 104 GLY C C 13 173.055 0.3 . 1 . . . . 100 GLY C . 16558 1 1270 . 1 1 104 104 GLY CA C 13 45.440 0.3 . 1 . . . . 100 GLY CA . 16558 1 1271 . 1 1 104 104 GLY N N 15 116.440 0.3 . 1 . . . . 100 GLY N . 16558 1 1272 . 1 1 105 105 TYR H H 1 9.608 0.020 . 1 . . . . 101 TYR H . 16558 1 1273 . 1 1 105 105 TYR HA H 1 4.776 0.020 . 1 . . . . 101 TYR HA . 16558 1 1274 . 1 1 105 105 TYR HB2 H 1 3.084 0.020 . 2 . . . . 101 TYR HB2 . 16558 1 1275 . 1 1 105 105 TYR HB3 H 1 2.910 0.020 . 2 . . . . 101 TYR HB3 . 16558 1 1276 . 1 1 105 105 TYR HD1 H 1 7.047 0.020 . 1 . . . . 101 TYR HD1 . 16558 1 1277 . 1 1 105 105 TYR HD2 H 1 7.047 0.020 . 1 . . . . 101 TYR HD2 . 16558 1 1278 . 1 1 105 105 TYR HE1 H 1 6.719 0.020 . 1 . . . . 101 TYR HE1 . 16558 1 1279 . 1 1 105 105 TYR HE2 H 1 6.719 0.020 . 1 . . . . 101 TYR HE2 . 16558 1 1280 . 1 1 105 105 TYR CA C 13 56.690 0.3 . 1 . . . . 101 TYR CA . 16558 1 1281 . 1 1 105 105 TYR CB C 13 36.830 0.3 . 1 . . . . 101 TYR CB . 16558 1 1282 . 1 1 105 105 TYR CD1 C 13 132.725 0.3 . 1 . . . . 101 TYR CD1 . 16558 1 1283 . 1 1 105 105 TYR CD2 C 13 132.725 0.3 . 1 . . . . 101 TYR CD2 . 16558 1 1284 . 1 1 105 105 TYR CE1 C 13 118.285 0.3 . 1 . . . . 101 TYR CE1 . 16558 1 1285 . 1 1 105 105 TYR CE2 C 13 118.285 0.3 . 1 . . . . 101 TYR CE2 . 16558 1 1286 . 1 1 105 105 TYR N N 15 124.794 0.3 . 1 . . . . 101 TYR N . 16558 1 1287 . 1 1 106 106 PRO HA H 1 4.596 0.020 . 1 . . . . 102 PRO HA . 16558 1 1288 . 1 1 106 106 PRO HB2 H 1 2.297 0.020 . 2 . . . . 102 PRO HB2 . 16558 1 1289 . 1 1 106 106 PRO HB3 H 1 2.051 0.020 . 2 . . . . 102 PRO HB3 . 16558 1 1290 . 1 1 106 106 PRO HD2 H 1 3.913 0.020 . 1 . . . . 102 PRO HD2 . 16558 1 1291 . 1 1 106 106 PRO HD3 H 1 3.913 0.020 . 1 . . . . 102 PRO HD3 . 16558 1 1292 . 1 1 106 106 PRO HG2 H 1 2.101 0.020 . 1 . . . . 102 PRO HG2 . 16558 1 1293 . 1 1 106 106 PRO HG3 H 1 2.101 0.020 . 1 . . . . 102 PRO HG3 . 16558 1 1294 . 1 1 106 106 PRO C C 13 178.284 0.3 . 1 . . . . 102 PRO C . 16558 1 1295 . 1 1 106 106 PRO CA C 13 61.954 0.3 . 1 . . . . 102 PRO CA . 16558 1 1296 . 1 1 106 106 PRO CB C 13 31.962 0.3 . 1 . . . . 102 PRO CB . 16558 1 1297 . 1 1 106 106 PRO CD C 13 50.522 0.3 . 1 . . . . 102 PRO CD . 16558 1 1298 . 1 1 106 106 PRO CG C 13 27.055 0.3 . 1 . . . . 102 PRO CG . 16558 1 1299 . 1 1 107 107 LEU H H 1 8.677 0.020 . 1 . . . . 103 LEU H . 16558 1 1300 . 1 1 107 107 LEU HA H 1 4.474 0.020 . 1 . . . . 103 LEU HA . 16558 1 1301 . 1 1 107 107 LEU HB2 H 1 1.626 0.020 . 2 . . . . 103 LEU HB2 . 16558 1 1302 . 1 1 107 107 LEU HB3 H 1 1.533 0.020 . 2 . . . . 103 LEU HB3 . 16558 1 1303 . 1 1 107 107 LEU HD11 H 1 0.984 0.020 . 1 . . . . 103 LEU HD1 . 16558 1 1304 . 1 1 107 107 LEU HD12 H 1 0.984 0.020 . 1 . . . . 103 LEU HD1 . 16558 1 1305 . 1 1 107 107 LEU HD13 H 1 0.984 0.020 . 1 . . . . 103 LEU HD1 . 16558 1 1306 . 1 1 107 107 LEU HD21 H 1 0.911 0.020 . 1 . . . . 103 LEU HD2 . 16558 1 1307 . 1 1 107 107 LEU HD22 H 1 0.911 0.020 . 1 . . . . 103 LEU HD2 . 16558 1 1308 . 1 1 107 107 LEU HD23 H 1 0.911 0.020 . 1 . . . . 103 LEU HD2 . 16558 1 1309 . 1 1 107 107 LEU HG H 1 1.670 0.020 . 1 . . . . 103 LEU HG . 16558 1 1310 . 1 1 107 107 LEU CA C 13 53.531 0.3 . 1 . . . . 103 LEU CA . 16558 1 1311 . 1 1 107 107 LEU CB C 13 41.976 0.3 . 1 . . . . 103 LEU CB . 16558 1 1312 . 1 1 107 107 LEU CD1 C 13 25.676 0.3 . 1 . . . . 103 LEU CD1 . 16558 1 1313 . 1 1 107 107 LEU CD2 C 13 24.427 0.3 . 1 . . . . 103 LEU CD2 . 16558 1 1314 . 1 1 107 107 LEU CG C 13 27.676 0.3 . 1 . . . . 103 LEU CG . 16558 1 1315 . 1 1 107 107 LEU N N 15 123.285 0.3 . 1 . . . . 103 LEU N . 16558 1 1316 . 1 1 108 108 PRO HA H 1 4.517 0.020 . 1 . . . . 104 PRO HA . 16558 1 1317 . 1 1 108 108 PRO HB2 H 1 2.386 0.020 . 2 . . . . 104 PRO HB2 . 16558 1 1318 . 1 1 108 108 PRO HB3 H 1 1.923 0.020 . 2 . . . . 104 PRO HB3 . 16558 1 1319 . 1 1 108 108 PRO HD2 H 1 4.025 0.020 . 2 . . . . 104 PRO HD2 . 16558 1 1320 . 1 1 108 108 PRO HD3 H 1 3.464 0.020 . 2 . . . . 104 PRO HD3 . 16558 1 1321 . 1 1 108 108 PRO HG2 H 1 2.126 0.020 . 2 . . . . 104 PRO HG2 . 16558 1 1322 . 1 1 108 108 PRO HG3 H 1 2.079 0.020 . 2 . . . . 104 PRO HG3 . 16558 1 1323 . 1 1 108 108 PRO C C 13 176.179 0.3 . 1 . . . . 104 PRO C . 16558 1 1324 . 1 1 108 108 PRO CA C 13 62.896 0.3 . 1 . . . . 104 PRO CA . 16558 1 1325 . 1 1 108 108 PRO CB C 13 32.240 0.3 . 1 . . . . 104 PRO CB . 16558 1 1326 . 1 1 108 108 PRO CD C 13 50.424 0.3 . 1 . . . . 104 PRO CD . 16558 1 1327 . 1 1 108 108 PRO CG C 13 27.676 0.3 . 1 . . . . 104 PRO CG . 16558 1 1328 . 1 1 109 109 PHE H H 1 8.333 0.020 . 1 . . . . 105 PHE H . 16558 1 1329 . 1 1 109 109 PHE HA H 1 4.404 0.020 . 1 . . . . 105 PHE HA . 16558 1 1330 . 1 1 109 109 PHE HB2 H 1 3.193 0.020 . 2 . . . . 105 PHE HB2 . 16558 1 1331 . 1 1 109 109 PHE HB3 H 1 2.929 0.020 . 2 . . . . 105 PHE HB3 . 16558 1 1332 . 1 1 109 109 PHE HD1 H 1 7.205 0.020 . 1 . . . . 105 PHE HD1 . 16558 1 1333 . 1 1 109 109 PHE HD2 H 1 7.205 0.020 . 1 . . . . 105 PHE HD2 . 16558 1 1334 . 1 1 109 109 PHE HE1 H 1 7.354 0.020 . 1 . . . . 105 PHE HE1 . 16558 1 1335 . 1 1 109 109 PHE HE2 H 1 7.354 0.020 . 1 . . . . 105 PHE HE2 . 16558 1 1336 . 1 1 109 109 PHE C C 13 174.436 0.3 . 1 . . . . 105 PHE C . 16558 1 1337 . 1 1 109 109 PHE CA C 13 58.158 0.3 . 1 . . . . 105 PHE CA . 16558 1 1338 . 1 1 109 109 PHE CB C 13 39.542 0.3 . 1 . . . . 105 PHE CB . 16558 1 1339 . 1 1 109 109 PHE CD1 C 13 131.594 0.3 . 1 . . . . 105 PHE CD1 . 16558 1 1340 . 1 1 109 109 PHE CD2 C 13 131.594 0.3 . 1 . . . . 105 PHE CD2 . 16558 1 1341 . 1 1 109 109 PHE CE1 C 13 131.654 0.3 . 1 . . . . 105 PHE CE1 . 16558 1 1342 . 1 1 109 109 PHE CE2 C 13 131.654 0.3 . 1 . . . . 105 PHE CE2 . 16558 1 1343 . 1 1 109 109 PHE N N 15 121.979 0.3 . 1 . . . . 105 PHE N . 16558 1 1344 . 1 1 110 110 ASP H H 1 8.270 0.020 . 1 . . . . 106 ASP H . 16558 1 1345 . 1 1 110 110 ASP HA H 1 4.835 0.020 . 1 . . . . 106 ASP HA . 16558 1 1346 . 1 1 110 110 ASP HB2 H 1 2.777 0.020 . 2 . . . . 106 ASP HB2 . 16558 1 1347 . 1 1 110 110 ASP HB3 H 1 2.504 0.020 . 2 . . . . 106 ASP HB3 . 16558 1 1348 . 1 1 110 110 ASP CA C 13 50.345 0.3 . 1 . . . . 106 ASP CA . 16558 1 1349 . 1 1 110 110 ASP CB C 13 42.115 0.3 . 1 . . . . 106 ASP CB . 16558 1 1350 . 1 1 110 110 ASP N N 15 127.307 0.3 . 1 . . . . 106 ASP N . 16558 1 1351 . 1 1 111 111 PRO HA H 1 4.178 0.020 . 1 . . . . 107 PRO HA . 16558 1 1352 . 1 1 111 111 PRO HB2 H 1 2.336 0.020 . 2 . . . . 107 PRO HB2 . 16558 1 1353 . 1 1 111 111 PRO HB3 H 1 2.000 0.020 . 2 . . . . 107 PRO HB3 . 16558 1 1354 . 1 1 111 111 PRO HD2 H 1 3.863 0.020 . 2 . . . . 107 PRO HD2 . 16558 1 1355 . 1 1 111 111 PRO HD3 H 1 3.531 0.020 . 2 . . . . 107 PRO HD3 . 16558 1 1356 . 1 1 111 111 PRO HG2 H 1 2.012 0.020 . 2 . . . . 107 PRO HG2 . 16558 1 1357 . 1 1 111 111 PRO HG3 H 1 1.945 0.020 . 2 . . . . 107 PRO HG3 . 16558 1 1358 . 1 1 111 111 PRO C C 13 176.714 0.3 . 1 . . . . 107 PRO C . 16558 1 1359 . 1 1 111 111 PRO CA C 13 63.644 0.3 . 1 . . . . 107 PRO CA . 16558 1 1360 . 1 1 111 111 PRO CB C 13 31.962 0.3 . 1 . . . . 107 PRO CB . 16558 1 1361 . 1 1 111 111 PRO CD C 13 50.924 0.3 . 1 . . . . 107 PRO CD . 16558 1 1362 . 1 1 111 111 PRO CG C 13 26.926 0.3 . 1 . . . . 107 PRO CG . 16558 1 1363 . 1 1 112 112 ASP H H 1 8.176 0.020 . 1 . . . . 108 ASP H . 16558 1 1364 . 1 1 112 112 ASP HA H 1 4.634 0.020 . 1 . . . . 108 ASP HA . 16558 1 1365 . 1 1 112 112 ASP HB2 H 1 2.733 0.020 . 2 . . . . 108 ASP HB2 . 16558 1 1366 . 1 1 112 112 ASP HB3 H 1 2.527 0.020 . 2 . . . . 108 ASP HB3 . 16558 1 1367 . 1 1 112 112 ASP C C 13 175.626 0.3 . 1 . . . . 108 ASP C . 16558 1 1368 . 1 1 112 112 ASP CA C 13 54.279 0.3 . 1 . . . . 108 ASP CA . 16558 1 1369 . 1 1 112 112 ASP CB C 13 41.072 0.3 . 1 . . . . 108 ASP CB . 16558 1 1370 . 1 1 112 112 ASP N N 15 118.536 0.3 . 1 . . . . 108 ASP N . 16558 1 1371 . 1 1 113 113 ASP H H 1 7.634 0.020 . 1 . . . . 109 ASP H . 16558 1 1372 . 1 1 113 113 ASP HA H 1 4.871 0.020 . 1 . . . . 109 ASP HA . 16558 1 1373 . 1 1 113 113 ASP HB2 H 1 2.847 0.020 . 2 . . . . 109 ASP HB2 . 16558 1 1374 . 1 1 113 113 ASP HB3 H 1 2.514 0.020 . 2 . . . . 109 ASP HB3 . 16558 1 1375 . 1 1 113 113 ASP CA C 13 51.564 0.3 . 1 . . . . 109 ASP CA . 16558 1 1376 . 1 1 113 113 ASP CB C 13 41.559 0.3 . 1 . . . . 109 ASP CB . 16558 1 1377 . 1 1 113 113 ASP N N 15 121.776 0.3 . 1 . . . . 109 ASP N . 16558 1 1378 . 1 1 114 114 PRO HA H 1 4.455 0.020 . 1 . . . . 110 PRO HA . 16558 1 1379 . 1 1 114 114 PRO HB2 H 1 2.309 0.020 . 2 . . . . 110 PRO HB2 . 16558 1 1380 . 1 1 114 114 PRO HB3 H 1 1.998 0.020 . 2 . . . . 110 PRO HB3 . 16558 1 1381 . 1 1 114 114 PRO HD2 H 1 3.853 0.020 . 1 . . . . 110 PRO HD2 . 16558 1 1382 . 1 1 114 114 PRO HD3 H 1 3.853 0.020 . 1 . . . . 110 PRO HD3 . 16558 1 1383 . 1 1 114 114 PRO HG2 H 1 2.028 0.020 . 2 . . . . 110 PRO HG2 . 16558 1 1384 . 1 1 114 114 PRO HG3 H 1 1.968 0.020 . 2 . . . . 110 PRO HG3 . 16558 1 1385 . 1 1 114 114 PRO C C 13 177.421 0.3 . 1 . . . . 110 PRO C . 16558 1 1386 . 1 1 114 114 PRO CA C 13 63.838 0.3 . 1 . . . . 110 PRO CA . 16558 1 1387 . 1 1 114 114 PRO CB C 13 31.892 0.3 . 1 . . . . 110 PRO CB . 16558 1 1388 . 1 1 114 114 PRO CD C 13 50.674 0.3 . 1 . . . . 110 PRO CD . 16558 1 1389 . 1 1 114 114 PRO CG C 13 26.805 0.3 . 1 . . . . 110 PRO CG . 16558 1 1390 . 1 1 115 115 ASN H H 1 8.564 0.020 . 1 . . . . 111 ASN H . 16558 1 1391 . 1 1 115 115 ASN HA H 1 4.715 0.020 . 1 . . . . 111 ASN HA . 16558 1 1392 . 1 1 115 115 ASN HB2 H 1 2.866 0.020 . 2 . . . . 111 ASN HB2 . 16558 1 1393 . 1 1 115 115 ASN HB3 H 1 2.829 0.020 . 2 . . . . 111 ASN HB3 . 16558 1 1394 . 1 1 115 115 ASN HD21 H 1 7.922 0.020 . 1 . . . . 111 ASN HD21 . 16558 1 1395 . 1 1 115 115 ASN HD22 H 1 6.995 0.020 . 1 . . . . 111 ASN HD22 . 16558 1 1396 . 1 1 115 115 ASN C C 13 175.954 0.3 . 1 . . . . 111 ASN C . 16558 1 1397 . 1 1 115 115 ASN CA C 13 53.947 0.3 . 1 . . . . 111 ASN CA . 16558 1 1398 . 1 1 115 115 ASN CB C 13 38.499 0.3 . 1 . . . . 111 ASN CB . 16558 1 1399 . 1 1 115 115 ASN N N 15 118.009 0.3 . 1 . . . . 111 ASN N . 16558 1 1400 . 1 1 115 115 ASN ND2 N 15 115.115 0.3 . 1 . . . . 111 ASN ND2 . 16558 1 1401 . 1 1 116 116 THR H H 1 7.961 0.020 . 1 . . . . 112 THR H . 16558 1 1402 . 1 1 116 116 THR HA H 1 4.390 0.020 . 1 . . . . 112 THR HA . 16558 1 1403 . 1 1 116 116 THR HB H 1 4.227 0.020 . 1 . . . . 112 THR HB . 16558 1 1404 . 1 1 116 116 THR HG21 H 1 1.201 0.020 . 1 . . . . 112 THR HG2 . 16558 1 1405 . 1 1 116 116 THR HG22 H 1 1.201 0.020 . 1 . . . . 112 THR HG2 . 16558 1 1406 . 1 1 116 116 THR HG23 H 1 1.201 0.020 . 1 . . . . 112 THR HG2 . 16558 1 1407 . 1 1 116 116 THR C C 13 174.626 0.3 . 1 . . . . 112 THR C . 16558 1 1408 . 1 1 116 116 THR CA C 13 62.287 0.3 . 1 . . . . 112 THR CA . 16558 1 1409 . 1 1 116 116 THR CB C 13 69.584 0.3 . 1 . . . . 112 THR CB . 16558 1 1410 . 1 1 116 116 THR CG2 C 13 21.677 0.3 . 1 . . . . 112 THR CG2 . 16558 1 1411 . 1 1 116 116 THR N N 15 113.840 0.3 . 1 . . . . 112 THR N . 16558 1 1412 . 1 1 117 117 SER H H 1 8.167 0.020 . 1 . . . . 113 SER H . 16558 1 1413 . 1 1 117 117 SER HA H 1 4.510 0.020 . 1 . . . . 113 SER HA . 16558 1 1414 . 1 1 117 117 SER HB2 H 1 3.883 0.020 . 1 . . . . 113 SER HB2 . 16558 1 1415 . 1 1 117 117 SER HB3 H 1 3.883 0.020 . 1 . . . . 113 SER HB3 . 16558 1 1416 . 1 1 117 117 SER C C 13 174.298 0.3 . 1 . . . . 113 SER C . 16558 1 1417 . 1 1 117 117 SER CA C 13 58.491 0.3 . 1 . . . . 113 SER CA . 16558 1 1418 . 1 1 117 117 SER CB C 13 63.882 0.3 . 1 . . . . 113 SER CB . 16558 1 1419 . 1 1 117 117 SER N N 15 117.955 0.3 . 1 . . . . 113 SER N . 16558 1 1420 . 1 1 118 118 LEU H H 1 8.185 0.020 . 1 . . . . 114 LEU H . 16558 1 1421 . 1 1 118 118 LEU HA H 1 4.350 0.020 . 1 . . . . 114 LEU HA . 16558 1 1422 . 1 1 118 118 LEU HB2 H 1 1.574 0.020 . 1 . . . . 114 LEU HB2 . 16558 1 1423 . 1 1 118 118 LEU HB3 H 1 1.574 0.020 . 1 . . . . 114 LEU HB3 . 16558 1 1424 . 1 1 118 118 LEU HG H 1 1.530 0.020 . 1 . . . . 114 LEU HG . 16558 1 1425 . 1 1 118 118 LEU C C 13 177.387 0.3 . 1 . . . . 114 LEU C . 16558 1 1426 . 1 1 118 118 LEU CA C 13 55.332 0.3 . 1 . . . . 114 LEU CA . 16558 1 1427 . 1 1 118 118 LEU CB C 13 42.185 0.3 . 1 . . . . 114 LEU CB . 16558 1 1428 . 1 1 118 118 LEU CG C 13 27.554 0.3 . 1 . . . . 114 LEU CG . 16558 1 1429 . 1 1 118 118 LEU N N 15 124.661 0.3 . 1 . . . . 114 LEU N . 16558 1 1430 . 1 1 119 119 VAL H H 1 8.138 0.020 . 1 . . . . 115 VAL H . 16558 1 1431 . 1 1 119 119 VAL HA H 1 4.174 0.020 . 1 . . . . 115 VAL HA . 16558 1 1432 . 1 1 119 119 VAL HB H 1 2.093 0.020 . 1 . . . . 115 VAL HB . 16558 1 1433 . 1 1 119 119 VAL HG11 H 1 0.945 0.020 . 1 . . . . 115 VAL HG1 . 16558 1 1434 . 1 1 119 119 VAL HG12 H 1 0.945 0.020 . 1 . . . . 115 VAL HG1 . 16558 1 1435 . 1 1 119 119 VAL HG13 H 1 0.945 0.020 . 1 . . . . 115 VAL HG1 . 16558 1 1436 . 1 1 119 119 VAL HG21 H 1 0.945 0.020 . 1 . . . . 115 VAL HG2 . 16558 1 1437 . 1 1 119 119 VAL HG22 H 1 0.945 0.020 . 1 . . . . 115 VAL HG2 . 16558 1 1438 . 1 1 119 119 VAL HG23 H 1 0.945 0.020 . 1 . . . . 115 VAL HG2 . 16558 1 1439 . 1 1 119 119 VAL C C 13 176.403 0.3 . 1 . . . . 115 VAL C . 16558 1 1440 . 1 1 119 119 VAL CA C 13 62.481 0.3 . 1 . . . . 115 VAL CA . 16558 1 1441 . 1 1 119 119 VAL CB C 13 32.588 0.3 . 1 . . . . 115 VAL CB . 16558 1 1442 . 1 1 119 119 VAL CG1 C 13 20.927 0.3 . 1 . . . . 115 VAL CG1 . 16558 1 1443 . 1 1 119 119 VAL CG2 C 13 20.927 0.3 . 1 . . . . 115 VAL CG2 . 16558 1 1444 . 1 1 119 119 VAL N N 15 121.908 0.3 . 1 . . . . 115 VAL N . 16558 1 1445 . 1 1 120 120 THR H H 1 8.226 0.020 . 1 . . . . 116 THR H . 16558 1 1446 . 1 1 120 120 THR HA H 1 4.388 0.020 . 1 . . . . 116 THR HA . 16558 1 1447 . 1 1 120 120 THR HB H 1 4.322 0.020 . 1 . . . . 116 THR HB . 16558 1 1448 . 1 1 120 120 THR HG21 H 1 1.200 0.020 . 1 . . . . 116 THR HG2 . 16558 1 1449 . 1 1 120 120 THR HG22 H 1 1.200 0.020 . 1 . . . . 116 THR HG2 . 16558 1 1450 . 1 1 120 120 THR HG23 H 1 1.200 0.020 . 1 . . . . 116 THR HG2 . 16558 1 1451 . 1 1 120 120 THR C C 13 174.401 0.3 . 1 . . . . 116 THR C . 16558 1 1452 . 1 1 120 120 THR CA C 13 61.677 0.3 . 1 . . . . 116 THR CA . 16558 1 1453 . 1 1 120 120 THR CB C 13 69.584 0.3 . 1 . . . . 116 THR CB . 16558 1 1454 . 1 1 120 120 THR CG2 C 13 21.927 0.3 . 1 . . . . 116 THR CG2 . 16558 1 1455 . 1 1 120 120 THR N N 15 118.634 0.3 . 1 . . . . 116 THR N . 16558 1 1456 . 1 1 121 121 SER H H 1 8.289 0.020 . 1 . . . . 117 SER H . 16558 1 1457 . 1 1 121 121 SER HA H 1 4.506 0.020 . 1 . . . . 117 SER HA . 16558 1 1458 . 1 1 121 121 SER HB2 H 1 3.863 0.020 . 1 . . . . 117 SER HB2 . 16558 1 1459 . 1 1 121 121 SER HB3 H 1 3.863 0.020 . 1 . . . . 117 SER HB3 . 16558 1 1460 . 1 1 121 121 SER C C 13 174.315 0.3 . 1 . . . . 117 SER C . 16558 1 1461 . 1 1 121 121 SER CA C 13 58.158 0.3 . 1 . . . . 117 SER CA . 16558 1 1462 . 1 1 121 121 SER CB C 13 63.743 0.3 . 1 . . . . 117 SER CB . 16558 1 1463 . 1 1 121 121 SER N N 15 119.027 0.3 . 1 . . . . 117 SER N . 16558 1 1464 . 1 1 122 122 VAL H H 1 8.132 0.020 . 1 . . . . 118 VAL H . 16558 1 1465 . 1 1 122 122 VAL HA H 1 4.134 0.020 . 1 . . . . 118 VAL HA . 16558 1 1466 . 1 1 122 122 VAL HB H 1 2.074 0.020 . 1 . . . . 118 VAL HB . 16558 1 1467 . 1 1 122 122 VAL HG11 H 1 0.920 0.020 . 1 . . . . 118 VAL HG1 . 16558 1 1468 . 1 1 122 122 VAL HG12 H 1 0.920 0.020 . 1 . . . . 118 VAL HG1 . 16558 1 1469 . 1 1 122 122 VAL HG13 H 1 0.920 0.020 . 1 . . . . 118 VAL HG1 . 16558 1 1470 . 1 1 122 122 VAL HG21 H 1 0.920 0.020 . 1 . . . . 118 VAL HG2 . 16558 1 1471 . 1 1 122 122 VAL HG22 H 1 0.920 0.020 . 1 . . . . 118 VAL HG2 . 16558 1 1472 . 1 1 122 122 VAL HG23 H 1 0.920 0.020 . 1 . . . . 118 VAL HG2 . 16558 1 1473 . 1 1 122 122 VAL C C 13 175.678 0.3 . 1 . . . . 118 VAL C . 16558 1 1474 . 1 1 122 122 VAL CA C 13 62.120 0.3 . 1 . . . . 118 VAL CA . 16558 1 1475 . 1 1 122 122 VAL CB C 13 32.657 0.3 . 1 . . . . 118 VAL CB . 16558 1 1476 . 1 1 122 122 VAL CG1 C 13 20.677 0.3 . 1 . . . . 118 VAL CG1 . 16558 1 1477 . 1 1 122 122 VAL CG2 C 13 20.677 0.3 . 1 . . . . 118 VAL CG2 . 16558 1 1478 . 1 1 122 122 VAL N N 15 122.374 0.3 . 1 . . . . 118 VAL N . 16558 1 1479 . 1 1 123 123 ALA H H 1 8.322 0.020 . 1 . . . . 119 ALA H . 16558 1 1480 . 1 1 123 123 ALA HA H 1 4.326 0.020 . 1 . . . . 119 ALA HA . 16558 1 1481 . 1 1 123 123 ALA HB1 H 1 1.344 0.020 . 1 . . . . 119 ALA HB . 16558 1 1482 . 1 1 123 123 ALA HB2 H 1 1.344 0.020 . 1 . . . . 119 ALA HB . 16558 1 1483 . 1 1 123 123 ALA HB3 H 1 1.344 0.020 . 1 . . . . 119 ALA HB . 16558 1 1484 . 1 1 123 123 ALA C C 13 177.387 0.3 . 1 . . . . 119 ALA C . 16558 1 1485 . 1 1 123 123 ALA CA C 13 52.312 0.3 . 1 . . . . 119 ALA CA . 16558 1 1486 . 1 1 123 123 ALA CB C 13 19.166 0.3 . 1 . . . . 119 ALA CB . 16558 1 1487 . 1 1 123 123 ALA N N 15 128.515 0.3 . 1 . . . . 119 ALA N . 16558 1 1488 . 1 1 124 124 ILE H H 1 8.155 0.020 . 1 . . . . 120 ILE H . 16558 1 1489 . 1 1 124 124 ILE HA H 1 4.122 0.020 . 1 . . . . 120 ILE HA . 16558 1 1490 . 1 1 124 124 ILE HB H 1 1.842 0.020 . 1 . . . . 120 ILE HB . 16558 1 1491 . 1 1 124 124 ILE HD11 H 1 0.847 0.020 . 1 . . . . 120 ILE HD1 . 16558 1 1492 . 1 1 124 124 ILE HD12 H 1 0.847 0.020 . 1 . . . . 120 ILE HD1 . 16558 1 1493 . 1 1 124 124 ILE HD13 H 1 0.847 0.020 . 1 . . . . 120 ILE HD1 . 16558 1 1494 . 1 1 124 124 ILE HG12 H 1 1.478 0.020 . 2 . . . . 120 ILE HG12 . 16558 1 1495 . 1 1 124 124 ILE HG13 H 1 1.184 0.020 . 2 . . . . 120 ILE HG13 . 16558 1 1496 . 1 1 124 124 ILE HG21 H 1 0.890 0.020 . 1 . . . . 120 ILE HG2 . 16558 1 1497 . 1 1 124 124 ILE HG22 H 1 0.890 0.020 . 1 . . . . 120 ILE HG2 . 16558 1 1498 . 1 1 124 124 ILE HG23 H 1 0.890 0.020 . 1 . . . . 120 ILE HG2 . 16558 1 1499 . 1 1 124 124 ILE C C 13 176.230 0.3 . 1 . . . . 120 ILE C . 16558 1 1500 . 1 1 124 124 ILE CA C 13 60.984 0.3 . 1 . . . . 120 ILE CA . 16558 1 1501 . 1 1 124 124 ILE CB C 13 38.360 0.3 . 1 . . . . 120 ILE CB . 16558 1 1502 . 1 1 124 124 ILE CD1 C 13 12.678 0.3 . 1 . . . . 120 ILE CD1 . 16558 1 1503 . 1 1 124 124 ILE CG1 C 13 27.426 0.3 . 1 . . . . 120 ILE CG1 . 16558 1 1504 . 1 1 124 124 ILE CG2 C 13 17.677 0.3 . 1 . . . . 120 ILE CG2 . 16558 1 1505 . 1 1 124 124 ILE N N 15 121.589 0.3 . 1 . . . . 120 ILE N . 16558 1 1506 . 1 1 125 125 LEU H H 1 8.311 0.020 . 1 . . . . 121 LEU H . 16558 1 1507 . 1 1 125 125 LEU HA H 1 4.388 0.020 . 1 . . . . 121 LEU HA . 16558 1 1508 . 1 1 125 125 LEU HB2 H 1 1.626 0.020 . 2 . . . . 121 LEU HB2 . 16558 1 1509 . 1 1 125 125 LEU HB3 H 1 1.566 0.020 . 2 . . . . 121 LEU HB3 . 16558 1 1510 . 1 1 125 125 LEU HD11 H 1 0.915 0.020 . 1 . . . . 121 LEU HD1 . 16558 1 1511 . 1 1 125 125 LEU HD12 H 1 0.915 0.020 . 1 . . . . 121 LEU HD1 . 16558 1 1512 . 1 1 125 125 LEU HD13 H 1 0.915 0.020 . 1 . . . . 121 LEU HD1 . 16558 1 1513 . 1 1 125 125 LEU HD21 H 1 0.853 0.020 . 1 . . . . 121 LEU HD2 . 16558 1 1514 . 1 1 125 125 LEU HD22 H 1 0.853 0.020 . 1 . . . . 121 LEU HD2 . 16558 1 1515 . 1 1 125 125 LEU HD23 H 1 0.853 0.020 . 1 . . . . 121 LEU HD2 . 16558 1 1516 . 1 1 125 125 LEU HG H 1 1.577 0.020 . 1 . . . . 121 LEU HG . 16558 1 1517 . 1 1 125 125 LEU C C 13 176.903 0.3 . 1 . . . . 121 LEU C . 16558 1 1518 . 1 1 125 125 LEU CA C 13 54.916 0.3 . 1 . . . . 121 LEU CA . 16558 1 1519 . 1 1 125 125 LEU CB C 13 42.393 0.3 . 1 . . . . 121 LEU CB . 16558 1 1520 . 1 1 125 125 LEU CD1 C 13 24.677 0.3 . 1 . . . . 121 LEU CD1 . 16558 1 1521 . 1 1 125 125 LEU CD2 C 13 23.427 0.3 . 1 . . . . 121 LEU CD2 . 16558 1 1522 . 1 1 125 125 LEU CG C 13 26.926 0.3 . 1 . . . . 121 LEU CG . 16558 1 1523 . 1 1 125 125 LEU N N 15 127.223 0.3 . 1 . . . . 121 LEU N . 16558 1 1524 . 1 1 126 126 ASP H H 1 8.301 0.020 . 1 . . . . 122 ASP H . 16558 1 1525 . 1 1 126 126 ASP HA H 1 4.558 0.020 . 1 . . . . 122 ASP HA . 16558 1 1526 . 1 1 126 126 ASP HB2 H 1 2.671 0.020 . 2 . . . . 122 ASP HB2 . 16558 1 1527 . 1 1 126 126 ASP HB3 H 1 2.591 0.020 . 2 . . . . 122 ASP HB3 . 16558 1 1528 . 1 1 126 126 ASP C C 13 175.747 0.3 . 1 . . . . 122 ASP C . 16558 1 1529 . 1 1 126 126 ASP CA C 13 54.307 0.3 . 1 . . . . 122 ASP CA . 16558 1 1530 . 1 1 126 126 ASP CB C 13 40.933 0.3 . 1 . . . . 122 ASP CB . 16558 1 1531 . 1 1 126 126 ASP N N 15 122.106 0.3 . 1 . . . . 122 ASP N . 16558 1 1532 . 1 1 127 127 LYS H H 1 8.087 0.020 . 1 . . . . 123 LYS H . 16558 1 1533 . 1 1 127 127 LYS HA H 1 4.335 0.020 . 1 . . . . 123 LYS HA . 16558 1 1534 . 1 1 127 127 LYS HB2 H 1 1.817 0.020 . 2 . . . . 123 LYS HB2 . 16558 1 1535 . 1 1 127 127 LYS HB3 H 1 1.733 0.020 . 2 . . . . 123 LYS HB3 . 16558 1 1536 . 1 1 127 127 LYS HD2 H 1 1.677 0.020 . 1 . . . . 123 LYS HD2 . 16558 1 1537 . 1 1 127 127 LYS HD3 H 1 1.677 0.020 . 1 . . . . 123 LYS HD3 . 16558 1 1538 . 1 1 127 127 LYS HE2 H 1 3.007 0.020 . 1 . . . . 123 LYS HE2 . 16558 1 1539 . 1 1 127 127 LYS HE3 H 1 3.007 0.020 . 1 . . . . 123 LYS HE3 . 16558 1 1540 . 1 1 127 127 LYS HG2 H 1 1.410 0.020 . 1 . . . . 123 LYS HG2 . 16558 1 1541 . 1 1 127 127 LYS HG3 H 1 1.410 0.020 . 1 . . . . 123 LYS HG3 . 16558 1 1542 . 1 1 127 127 LYS C C 13 176.127 0.3 . 1 . . . . 123 LYS C . 16558 1 1543 . 1 1 127 127 LYS CA C 13 55.775 0.3 . 1 . . . . 123 LYS CA . 16558 1 1544 . 1 1 127 127 LYS CB C 13 33.353 0.3 . 1 . . . . 123 LYS CB . 16558 1 1545 . 1 1 127 127 LYS CD C 13 29.176 0.3 . 1 . . . . 123 LYS CD . 16558 1 1546 . 1 1 127 127 LYS CE C 13 42.175 0.3 . 1 . . . . 123 LYS CE . 16558 1 1547 . 1 1 127 127 LYS CG C 13 24.427 0.3 . 1 . . . . 123 LYS CG . 16558 1 1548 . 1 1 127 127 LYS N N 15 121.572 0.3 . 1 . . . . 123 LYS N . 16558 1 1549 . 1 1 128 128 GLU H H 1 8.475 0.020 . 1 . . . . 124 GLU H . 16558 1 1550 . 1 1 128 128 GLU HA H 1 4.541 0.020 . 1 . . . . 124 GLU HA . 16558 1 1551 . 1 1 128 128 GLU HB2 H 1 2.089 0.020 . 2 . . . . 124 GLU HB2 . 16558 1 1552 . 1 1 128 128 GLU HB3 H 1 1.915 0.020 . 2 . . . . 124 GLU HB3 . 16558 1 1553 . 1 1 128 128 GLU HG2 H 1 2.325 0.020 . 1 . . . . 124 GLU HG2 . 16558 1 1554 . 1 1 128 128 GLU HG3 H 1 2.325 0.020 . 1 . . . . 124 GLU HG3 . 16558 1 1555 . 1 1 128 128 GLU CA C 13 54.418 0.3 . 1 . . . . 124 GLU CA . 16558 1 1556 . 1 1 128 128 GLU CB C 13 29.389 0.3 . 1 . . . . 124 GLU CB . 16558 1 1557 . 1 1 128 128 GLU CG C 13 36.175 0.3 . 1 . . . . 124 GLU CG . 16558 1 1558 . 1 1 128 128 GLU N N 15 125.198 0.3 . 1 . . . . 124 GLU N . 16558 1 1559 . 1 1 129 129 PRO HA H 1 4.230 0.020 . 1 . . . . 125 PRO HA . 16558 1 1560 . 1 1 129 129 PRO HB2 H 1 2.223 0.020 . 2 . . . . 125 PRO HB2 . 16558 1 1561 . 1 1 129 129 PRO HB3 H 1 1.901 0.020 . 2 . . . . 125 PRO HB3 . 16558 1 1562 . 1 1 129 129 PRO HD2 H 1 3.787 0.020 . 2 . . . . 125 PRO HD2 . 16558 1 1563 . 1 1 129 129 PRO HD3 H 1 3.693 0.020 . 2 . . . . 125 PRO HD3 . 16558 1 1564 . 1 1 129 129 PRO HG2 H 1 2.010 0.020 . 2 . . . . 125 PRO HG2 . 16558 1 1565 . 1 1 129 129 PRO HG3 H 1 1.975 0.020 . 2 . . . . 125 PRO HG3 . 16558 1 1566 . 1 1 129 129 PRO CA C 13 64.974 0.3 . 1 . . . . 125 PRO CA . 16558 1 1567 . 1 1 129 129 PRO CB C 13 31.892 0.3 . 1 . . . . 125 PRO CB . 16558 1 1568 . 1 1 129 129 PRO CD C 13 50.424 0.3 . 1 . . . . 125 PRO CD . 16558 1 1569 . 1 1 129 129 PRO CG C 13 27.426 0.3 . 1 . . . . 125 PRO CG . 16558 1 stop_ save_ ############################# # Spectral density values # ############################# save_spectral_density_list_1 _Spectral_density_list.Sf_category spectral_density_values _Spectral_density_list.Sf_framecode spectral_density_list_1 _Spectral_density_list.Entry_ID 16558 _Spectral_density_list.ID 1 _Spectral_density_list.Sample_condition_list_ID 1 _Spectral_density_list.Sample_condition_list_label $sample_conditions_1 _Spectral_density_list.Details . _Spectral_density_list.Text_data_format Text _Spectral_density_list.Text_data ; -1 7.5784645e-10 2.0430575e-10 3.9672760e-11 0 8.8996785e-10 2.5356129e-10 3.8161855e-11 1 1.4927882e-09 2.6210722e-10 2.2427715e-11 3 3.0702895e-09 2.7099669e-10 8.7894600e-12 4 3.3318875e-09 2.7029718e-10 5.6313593e-12 6 3.5416285e-09 2.7069089e-10 4.7323560e-12 7 4.1328866e-09 2.5838337e-10 4.5106436e-12 9 3.6168848e-09 2.9644567e-10 5.0224870e-12 10 3.5132123e-09 2.7353457e-10 4.6252170e-12 11 3.6134620e-09 2.5560498e-10 4.4160751e-12 12 3.2714492e-09 2.6495416e-10 5.5350922e-12 13 1.7331393e-09 1.5489623e-10 1.0542551e-11 14 3.1148939e-09 2.2706177e-10 5.4136715e-12 15 3.3874842e-09 2.4815829e-10 5.1990157e-12 16 3.5833422e-09 2.5627899e-10 4.9529064e-12 17 3.3879253e-09 2.7170257e-10 4.5548025e-12 18 2.4777694e-09 2.9721376e-10 1.3351953e-11 19 3.8082476e-09 2.6396489e-10 5.1337062e-12 20 3.4925264e-09 2.6115828e-10 4.8054151e-12 21 3.3928528e-09 2.5320614e-10 4.8473072e-12 22 4.0363952e-09 2.6832715e-10 4.8244874e-12 23 4.1509148e-09 2.6873474e-10 4.8875284e-12 25 3.5536422e-09 3.3504266e-10 9.3324268e-12 26 3.6756182e-09 2.7995176e-10 6.6247350e-12 28 3.8499349e-09 3.4260826e-10 6.3309628e-12 29 4.2324687e-09 3.3490974e-10 4.6187848e-12 30 3.7863722e-09 2.7369139e-10 3.8051262e-12 31 3.7113274e-09 2.6733736e-10 4.6311837e-12 32 3.8359362e-09 2.7351149e-10 4.6317198e-12 33 3.6134585e-09 2.5364877e-10 5.1025976e-12 34 3.7200556e-09 2.2794837e-10 7.6158600e-12 35 3.2932156e-09 2.5450660e-10 6.6132957e-12 36 2.8441714e-09 2.4086796e-10 7.4777967e-12 38 3.4703448e-09 2.5601725e-10 5.8914152e-12 39 3.8813626e-09 2.6491774e-10 6.0081960e-12 40 3.7331162e-09 2.4414624e-10 5.5213451e-12 41 3.7782473e-09 2.6802606e-10 4.6537807e-12 42 3.4903541e-09 2.6244456e-10 4.4211875e-12 43 3.7673235e-09 2.6648396e-10 3.3805349e-12 44 4.2119691e-09 2.6416385e-10 4.1957622e-12 45 3.8611734e-09 2.5907474e-10 5.3872443e-12 46 3.7563078e-09 2.5238177e-10 4.2585935e-12 47 3.5507415e-09 2.6512275e-10 5.1553419e-12 48 4.3164957e-09 2.7568654e-10 5.3599552e-12 49 2.9186704e-09 2.8852095e-10 9.6718214e-12 50 3.9357432e-09 2.6590658e-10 5.1321258e-12 52 3.6685409e-09 2.8579975e-10 4.4174489e-12 53 3.7904304e-09 3.0316095e-10 4.4419951e-12 54 2.9171960e-09 2.7710255e-10 1.0962573e-11 55 3.6193816e-09 2.8600831e-10 4.9084858e-12 56 3.8010962e-09 2.7640207e-10 5.0100982e-12 57 3.5323401e-09 2.5538243e-10 5.2232081e-12 58 3.5044753e-09 2.5250261e-10 4.8298391e-12 59 3.7787480e-09 2.6485525e-10 4.1194722e-12 60 3.6118927e-09 2.6250774e-10 4.2807783e-12 61 3.8195154e-09 2.7310148e-10 4.1323062e-12 62 3.9803967e-09 2.8573586e-10 3.9864327e-12 63 3.6170878e-09 2.9296825e-10 4.4634215e-12 64 3.9417993e-09 2.6799768e-10 4.2113466e-12 65 3.9740361e-09 2.7388717e-10 4.2521874e-12 66 3.6960149e-09 2.7303986e-10 4.4021386e-12 67 3.8930701e-09 2.6290754e-10 3.9897439e-12 68 5.2743561e-09 2.7009320e-10 4.3156752e-12 69 5.8740496e-08 2.6524861e-10 6.6749457e-12 70 3.6061075e-09 2.6119693e-10 5.6190966e-12 71 4.1370476e-09 2.9423024e-10 4.2753583e-12 72 3.6720449e-09 2.9068852e-10 3.6691786e-12 73 4.0553528e-09 2.7815128e-10 4.6826220e-12 74 4.5927076e-09 2.8595276e-10 5.8062967e-12 75 4.1818943e-09 2.9963872e-10 4.3821162e-12 76 3.8493539e-09 2.6301481e-10 4.5741302e-12 77 4.0753859e-09 2.5456913e-10 4.7087114e-12 78 3.9551199e-09 2.5712491e-10 4.5750905e-12 79 3.8639101e-09 2.4793651e-10 5.5410724e-12 80 4.1348360e-09 2.4822148e-10 3.6508753e-12 81 3.7823771e-09 2.5668460e-10 4.7452828e-12 82 3.9990632e-09 2.5074020e-10 3.6636216e-12 83 3.7928467e-09 2.4137179e-10 4.1553555e-12 84 4.1295434e-09 2.4393121e-10 4.1153119e-12 85 4.0131566e-09 2.5448390e-10 3.9704887e-12 86 3.8192550e-09 2.4777191e-10 4.3642915e-12 87 4.0619447e-09 2.5127630e-10 5.0009056e-12 89 3.3528881e-09 2.5811647e-10 3.8161579e-12 90 4.1377446e-09 2.5350326e-10 4.9707805e-12 91 3.7760789e-09 2.8238662e-10 4.8965503e-12 92 3.5161977e-09 2.3411274e-10 4.3536639e-12 93 3.4942197e-09 2.5876113e-10 5.3242787e-12 94 3.5589091e-09 2.6310496e-10 5.1640957e-12 95 4.1034835e-09 2.5341131e-10 4.3995246e-12 96 3.4570482e-09 2.6958507e-10 4.4808446e-12 97 3.9333948e-09 2.6841380e-10 4.3859219e-12 98 3.5519121e-09 2.6547502e-10 4.0331069e-12 99 4.1567043e-09 2.7793347e-10 4.6925783e-12 100 3.6570095e-09 2.7051251e-10 4.8625962e-12 101 3.9668829e-09 2.6580022e-10 3.9549419e-12 103 3.0542812e-09 2.5173692e-10 5.6543045e-12 105 3.2809535e-09 2.4258866e-10 3.7238077e-12 106 2.6954545e-09 2.8642453e-10 1.1558887e-11 108 2.3425518e-09 2.6446955e-10 1.3473134e-11 109 1.8497261e-09 2.7332616e-10 1.5187175e-11 111 2.2751398e-09 3.0478420e-10 1.3427521e-11 112 1.4836926e-09 3.4473334e-10 2.2830121e-11 113 1.3680002e-09 3.5055749e-10 2.5129277e-11 114 1.0560957e-09 3.2371336e-10 2.6418280e-11 115 7.7324641e-10 2.7954075e-10 3.0726097e-11 116 1.0123934e-09 3.2668679e-10 3.1792576e-11 117 9.7673865e-10 3.2318008e-10 3.1440313e-11 118 7.6486799e-10 2.9229613e-10 3.0564177e-11 119 8.6657598e-10 2.9416938e-10 3.2648676e-11 120 6.2705113e-10 2.5734647e-10 2.8584843e-11 121 6.9566276e-10 2.5872765e-10 3.3721275e-11 122 6.6030921e-10 2.5741686e-10 3.4789190e-11 123 4.7900791e-10 2.2763888e-10 3.4986792e-11 124 4.0877714e-10 1.9232685e-10 4.0842868e-11 ; loop_ _Spectral_density_experiment.Experiment_ID _Spectral_density_experiment.Experiment_name _Spectral_density_experiment.Sample_ID _Spectral_density_experiment.Sample_label _Spectral_density_experiment.Sample_state _Spectral_density_experiment.Entry_ID _Spectral_density_experiment.Spectral_density_list_ID 13 '2D 15N T1' 3 $13C-15N . 16558 1 14 '2D 15N T2' 3 $13C-15N . 16558 1 15 '2D 1H-15N NOE' 3 $13C-15N . 16558 1 stop_ save_