data_26978 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26978 _Entry.Title ; MeCP2 bound to methylated DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-20 _Entry.Accession_date 2016-12-20 _Entry.Last_release_date 2016-12-20 _Entry.Original_release_date 2016-12-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 'M. Jeannette' Sperlazza . . . . 26978 2 Williams David . C. Jr. . 26978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 26978 '15N chemical shifts' 72 26978 '1H chemical shifts' 305 26978 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-06-08 2016-12-01 update BMRB 'update entry citation' 26978 1 . . 2017-05-23 2016-12-01 original author 'original release' 26978 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26978 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28450074 _Citation.Full_citation . _Citation.Title ; Structural Basis of MeCP2 Distribution on Non-CpG Methylated and Hydroxymethylated DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 429 _Citation.Journal_issue 10 _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 1581 _Citation.Page_last 1594 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'M. Jeannette' Sperlazza . . . . 26978 1 2 Stephanie Bilinovich . M. . . 26978 1 3 Leander Sinanan . M. . . 26978 1 4 Fatima Javier . R. . . 26978 1 5 David Williams . C. Jr. . 26978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26978 _Assembly.ID 1 _Assembly.Name MeCP2-DNA _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 MeCP2 1 $MeCP2_MBD A . yes native no no . . . 26978 1 2 'DNA, chain 1' 2 $BDNF_DNA B . no native no no . . . 26978 1 3 'DNA, chain 2' 2 $BDNF_DNA C . no native no no . . . 26978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MeCP2_MBD _Entity.Sf_category entity _Entity.Sf_framecode MeCP2_MBD _Entity.Entry_ID 26978 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MeCP2_MBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASASPKQRRSIIRDRGPMY DDPTLPEGWTRKLKQRKSGR SAGKYDVYLINPQGKAFRSK VELIAYFEKVGDTSLDPNDF DFTVTGRGS ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 76 MET . 26978 1 2 77 ALA . 26978 1 3 78 SER . 26978 1 4 79 ALA . 26978 1 5 80 SER . 26978 1 6 81 PRO . 26978 1 7 82 LYS . 26978 1 8 83 GLN . 26978 1 9 84 ARG . 26978 1 10 85 ARG . 26978 1 11 86 SER . 26978 1 12 87 ILE . 26978 1 13 88 ILE . 26978 1 14 89 ARG . 26978 1 15 90 ASP . 26978 1 16 91 ARG . 26978 1 17 92 GLY . 26978 1 18 93 PRO . 26978 1 19 94 MET . 26978 1 20 95 TYR . 26978 1 21 96 ASP . 26978 1 22 97 ASP . 26978 1 23 98 PRO . 26978 1 24 99 THR . 26978 1 25 100 LEU . 26978 1 26 101 PRO . 26978 1 27 102 GLU . 26978 1 28 103 GLY . 26978 1 29 104 TRP . 26978 1 30 105 THR . 26978 1 31 106 ARG . 26978 1 32 107 LYS . 26978 1 33 108 LEU . 26978 1 34 109 LYS . 26978 1 35 110 GLN . 26978 1 36 111 ARG . 26978 1 37 112 LYS . 26978 1 38 113 SER . 26978 1 39 114 GLY . 26978 1 40 115 ARG . 26978 1 41 116 SER . 26978 1 42 117 ALA . 26978 1 43 118 GLY . 26978 1 44 119 LYS . 26978 1 45 120 TYR . 26978 1 46 121 ASP . 26978 1 47 122 VAL . 26978 1 48 123 TYR . 26978 1 49 124 LEU . 26978 1 50 125 ILE . 26978 1 51 126 ASN . 26978 1 52 127 PRO . 26978 1 53 128 GLN . 26978 1 54 129 GLY . 26978 1 55 130 LYS . 26978 1 56 131 ALA . 26978 1 57 132 PHE . 26978 1 58 133 ARG . 26978 1 59 134 SER . 26978 1 60 135 LYS . 26978 1 61 136 VAL . 26978 1 62 137 GLU . 26978 1 63 138 LEU . 26978 1 64 139 ILE . 26978 1 65 140 ALA . 26978 1 66 141 TYR . 26978 1 67 142 PHE . 26978 1 68 143 GLU . 26978 1 69 144 LYS . 26978 1 70 145 VAL . 26978 1 71 146 GLY . 26978 1 72 147 ASP . 26978 1 73 148 THR . 26978 1 74 149 SER . 26978 1 75 150 LEU . 26978 1 76 151 ASP . 26978 1 77 152 PRO . 26978 1 78 153 ASN . 26978 1 79 154 ASP . 26978 1 80 155 PHE . 26978 1 81 156 ASP . 26978 1 82 157 PHE . 26978 1 83 158 THR . 26978 1 84 159 VAL . 26978 1 85 160 THR . 26978 1 86 161 GLY . 26978 1 87 162 ARG . 26978 1 88 163 GLY . 26978 1 89 164 SER . 26978 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26978 1 . ALA 2 2 26978 1 . SER 3 3 26978 1 . ALA 4 4 26978 1 . SER 5 5 26978 1 . PRO 6 6 26978 1 . LYS 7 7 26978 1 . GLN 8 8 26978 1 . ARG 9 9 26978 1 . ARG 10 10 26978 1 . SER 11 11 26978 1 . ILE 12 12 26978 1 . ILE 13 13 26978 1 . ARG 14 14 26978 1 . ASP 15 15 26978 1 . ARG 16 16 26978 1 . GLY 17 17 26978 1 . PRO 18 18 26978 1 . MET 19 19 26978 1 . TYR 20 20 26978 1 . ASP 21 21 26978 1 . ASP 22 22 26978 1 . PRO 23 23 26978 1 . THR 24 24 26978 1 . LEU 25 25 26978 1 . PRO 26 26 26978 1 . GLU 27 27 26978 1 . GLY 28 28 26978 1 . TRP 29 29 26978 1 . THR 30 30 26978 1 . ARG 31 31 26978 1 . LYS 32 32 26978 1 . LEU 33 33 26978 1 . LYS 34 34 26978 1 . GLN 35 35 26978 1 . ARG 36 36 26978 1 . LYS 37 37 26978 1 . SER 38 38 26978 1 . GLY 39 39 26978 1 . ARG 40 40 26978 1 . SER 41 41 26978 1 . ALA 42 42 26978 1 . GLY 43 43 26978 1 . LYS 44 44 26978 1 . TYR 45 45 26978 1 . ASP 46 46 26978 1 . VAL 47 47 26978 1 . TYR 48 48 26978 1 . LEU 49 49 26978 1 . ILE 50 50 26978 1 . ASN 51 51 26978 1 . PRO 52 52 26978 1 . GLN 53 53 26978 1 . GLY 54 54 26978 1 . LYS 55 55 26978 1 . ALA 56 56 26978 1 . PHE 57 57 26978 1 . ARG 58 58 26978 1 . SER 59 59 26978 1 . LYS 60 60 26978 1 . VAL 61 61 26978 1 . GLU 62 62 26978 1 . LEU 63 63 26978 1 . ILE 64 64 26978 1 . ALA 65 65 26978 1 . TYR 66 66 26978 1 . PHE 67 67 26978 1 . GLU 68 68 26978 1 . LYS 69 69 26978 1 . VAL 70 70 26978 1 . GLY 71 71 26978 1 . ASP 72 72 26978 1 . THR 73 73 26978 1 . SER 74 74 26978 1 . LEU 75 75 26978 1 . ASP 76 76 26978 1 . PRO 77 77 26978 1 . ASN 78 78 26978 1 . ASP 79 79 26978 1 . PHE 80 80 26978 1 . ASP 81 81 26978 1 . PHE 82 82 26978 1 . THR 83 83 26978 1 . VAL 84 84 26978 1 . THR 85 85 26978 1 . GLY 86 86 26978 1 . ARG 87 87 26978 1 . GLY 88 88 26978 1 . SER 89 89 26978 1 stop_ save_ save_BDNF_DNA _Entity.Sf_category entity _Entity.Sf_framecode BDNF_DNA _Entity.Entry_ID 26978 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name BDNF_DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGAAGAATTCXGTTCCAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; double stranded DNA X = methyl-cytosine ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DT . 26978 2 2 . DA . 26978 2 3 . DG . 26978 2 4 . DA . 26978 2 5 . DA . 26978 2 6 . DG . 26978 2 7 . DA . 26978 2 8 . DA . 26978 2 9 . DT . 26978 2 10 . DT . 26978 2 11 . DC . 26978 2 12 . 1MC . 26978 2 13 . DG . 26978 2 14 . DT . 26978 2 15 . DT . 26978 2 16 . DC . 26978 2 17 . DC . 26978 2 18 . DA . 26978 2 19 . DG . 26978 2 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 . DT 1 1 26978 2 . DA 2 2 26978 2 . DG 3 3 26978 2 . DA 4 4 26978 2 . DA 5 5 26978 2 . DG 6 6 26978 2 . DA 7 7 26978 2 . DA 8 8 26978 2 . DT 9 9 26978 2 . DT 10 10 26978 2 . DC 11 11 26978 2 . 1MC 12 12 26978 2 . DG 13 13 26978 2 . DT 14 14 26978 2 . DT 15 15 26978 2 . DC 16 16 26978 2 . DC 17 17 26978 2 . DA 18 18 26978 2 . DG 19 19 26978 2 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 26978 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MeCP2_MBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26978 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 26978 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MeCP2_MBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26978 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_1MC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1MC _Chem_comp.Entry_ID 26978 _Chem_comp.ID 1MC _Chem_comp.Provenance PDB _Chem_comp.Name 1-METHYLCYTOSINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 1MC _Chem_comp.PDB_code 1MC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 1MC _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N3 O' _Chem_comp.Formula_weight 125.129 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BKY _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CN1C=CC(=NC1=O)N SMILES CACTVS 3.341 26978 1MC CN1C=CC(=NC1=O)N SMILES 'OpenEye OEToolkits' 1.5.0 26978 1MC CN1C=CC(=NC1=O)N SMILES_CANONICAL CACTVS 3.341 26978 1MC CN1C=CC(=NC1=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26978 1MC HWPZZUQOWRWFDB-UHFFFAOYSA-N InChIKey InChI 1.03 26978 1MC InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9) InChI InChI 1.03 26978 1MC O=C1N=C(N)C=CN1C SMILES ACDLabs 10.04 26978 1MC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 4-amino-1-methyl-pyrimidin-2-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26978 1MC 4-amino-1-methylpyrimidin-2(1H)-one 'SYSTEMATIC NAME' ACDLabs 10.04 26978 1MC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 18.462 . 14.393 . 19.933 . 1.023 -0.002 -0.666 1 . 26978 1MC C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 18.598 . 13.050 . 19.916 . 0.023 -0.000 -1.537 2 . 26978 1MC N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 16.775 . 14.451 . 21.672 . -0.474 -0.001 1.120 3 . 26978 1MC CN1 CN1 CN1 CN1 . C . . N 0 . . . 1 no no . . . . 15.851 . 15.168 . 22.543 . -0.706 -0.001 2.566 4 . 26978 1MC C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 17.597 . 14.997 . 20.761 . 0.784 0.002 0.643 5 . 26978 1MC O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 17.531 . 16.382 . 20.674 . 1.721 0.001 1.424 6 . 26978 1MC N4 N4 N4 N4 . N . . N 0 . . . 1 no no . . . . 19.434 . 12.462 . 19.068 . 0.282 -0.000 -2.888 7 . 26978 1MC C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 17.794 . 12.345 . 20.829 . -1.307 0.001 -1.071 8 . 26978 1MC C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 16.921 . 13.119 . 21.663 . -1.534 0.000 0.263 9 . 26978 1MC H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . 15.168 . 14.714 . 23.299 . 0.251 -0.003 3.087 10 . 26978 1MC H12 H12 H12 2H1 . H . . N 0 . . . 1 no no . . . . 16.460 . 15.927 . 23.087 . -1.269 0.889 2.844 11 . 26978 1MC H13 H13 H13 3H1 . H . . N 0 . . . 1 no no . . . . 15.208 . 15.787 . 21.874 . -1.272 -0.890 2.843 12 . 26978 1MC HN41 HN41 HN41 1HN4 . H . . N 0 . . . 0 no no . . . . 19.536 . 11.447 . 19.055 . 1.198 -0.001 -3.206 13 . 26978 1MC HN42 HN42 HN42 2HN4 . H . . N 0 . . . 0 no no . . . . 20.358 . 12.873 . 19.196 . -0.451 0.000 -3.523 14 . 26978 1MC H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 17.845 . 11.244 . 20.887 . -2.132 0.002 -1.767 15 . 26978 1MC H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 16.270 . 12.619 . 22.401 . -2.544 0.001 0.645 16 . 26978 1MC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB N3 C4 no N 1 . 26978 1MC 2 . SING N3 C2 no N 2 . 26978 1MC 3 . SING C4 N4 no N 3 . 26978 1MC 4 . SING C4 C5 no N 4 . 26978 1MC 5 . SING N1 CN1 no N 5 . 26978 1MC 6 . SING N1 C2 no N 6 . 26978 1MC 7 . SING N1 C6 no N 7 . 26978 1MC 8 . SING CN1 H11 no N 8 . 26978 1MC 9 . SING CN1 H12 no N 9 . 26978 1MC 10 . SING CN1 H13 no N 10 . 26978 1MC 11 . DOUB C2 O2 no N 11 . 26978 1MC 12 . SING N4 HN41 no N 12 . 26978 1MC 13 . SING N4 HN42 no N 13 . 26978 1MC 14 . DOUB C5 C6 no N 14 . 26978 1MC 15 . SING C5 H5 no N 15 . 26978 1MC 16 . SING C6 H6 no N 16 . 26978 1MC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26978 _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 'MeCP2 MBD' '[U-99% 13C; U-99% 15N]' . . 1 $MeCP2_MBD . . 0.75 0.5 1 mM . . . . 26978 1 2 'BDNF DNA' 'natural abundance' . . 2 $BDNF_DNA . . 0.75 0.5 1 mM . . . . 26978 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26978 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 26978 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26978 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26978 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 26978 1 pH 6.5 . pH 26978 1 pressure 1 . atm 26978 1 temperature 298 . K 26978 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26978 _Software.ID 1 _Software.Name NMRDraw _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' . . 26978 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26978 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 26978 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26978 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26978 2 'peak picking' 26978 2 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 26978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26978 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26978 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 26978 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26978 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 26978 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26978 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26978 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26978 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26978 1 2 '3D HNCO' . . . 26978 1 3 '3D HNCA' . . . 26978 1 4 '3D HNCACB' . . . 26978 1 5 '3D CBCA(CO)NH' . . . 26978 1 6 '3D HCCH-TOCSY' . . . 26978 1 7 '3D HBHA(CO)NH' . . . 26978 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.281 0.000 . 1 . . . . 77 ALA HA . 26978 1 2 . 1 1 2 2 ALA HB1 H 1 1.355 0.000 . 1 . . . . 77 ALA HB1 . 26978 1 3 . 1 1 2 2 ALA HB2 H 1 1.355 0.000 . 1 . . . . 77 ALA HB2 . 26978 1 4 . 1 1 2 2 ALA HB3 H 1 1.355 0.000 . 1 . . . . 77 ALA HB3 . 26978 1 5 . 1 1 2 2 ALA C C 13 178.282 0.000 . 1 . . . . 77 ALA C . 26978 1 6 . 1 1 2 2 ALA CA C 13 52.660 0.003 . 1 . . . . 77 ALA CA . 26978 1 7 . 1 1 2 2 ALA CB C 13 19.152 0.032 . 1 . . . . 77 ALA CB . 26978 1 8 . 1 1 3 3 SER H H 1 8.372 0.003 . 1 . . . . 78 SER H . 26978 1 9 . 1 1 3 3 SER HA H 1 4.459 0.000 . 1 . . . . 78 SER HA . 26978 1 10 . 1 1 3 3 SER HB2 H 1 3.846 0.000 . 1 . . . . 78 SER HB2 . 26978 1 11 . 1 1 3 3 SER C C 13 173.965 0.000 . 1 . . . . 78 SER C . 26978 1 12 . 1 1 3 3 SER CA C 13 58.259 0.048 . 1 . . . . 78 SER CA . 26978 1 13 . 1 1 3 3 SER CB C 13 63.917 0.037 . 1 . . . . 78 SER CB . 26978 1 14 . 1 1 3 3 SER N N 15 115.120 0.089 . 1 . . . . 78 SER N . 26978 1 15 . 1 1 4 4 ALA H H 1 8.526 0.001 . 1 . . . . 79 ALA H . 26978 1 16 . 1 1 4 4 ALA HA H 1 4.358 0.000 . 1 . . . . 79 ALA HA . 26978 1 17 . 1 1 4 4 ALA HB1 H 1 1.371 0.000 . 1 . . . . 79 ALA HB1 . 26978 1 18 . 1 1 4 4 ALA HB2 H 1 1.371 0.000 . 1 . . . . 79 ALA HB2 . 26978 1 19 . 1 1 4 4 ALA HB3 H 1 1.371 0.000 . 1 . . . . 79 ALA HB3 . 26978 1 20 . 1 1 4 4 ALA C C 13 177.432 0.000 . 1 . . . . 79 ALA C . 26978 1 21 . 1 1 4 4 ALA CA C 13 52.400 0.024 . 1 . . . . 79 ALA CA . 26978 1 22 . 1 1 4 4 ALA CB C 13 19.335 0.000 . 1 . . . . 79 ALA CB . 26978 1 23 . 1 1 4 4 ALA N N 15 126.267 0.028 . 1 . . . . 79 ALA N . 26978 1 24 . 1 1 5 5 SER H H 1 8.277 0.001 . 1 . . . . 80 SER H . 26978 1 25 . 1 1 5 5 SER CA C 13 56.291 0.027 . 1 . . . . 80 SER CA . 26978 1 26 . 1 1 5 5 SER CB C 13 63.350 0.000 . 1 . . . . 80 SER CB . 26978 1 27 . 1 1 5 5 SER N N 15 116.310 0.025 . 1 . . . . 80 SER N . 26978 1 28 . 1 1 6 6 PRO HA H 1 4.415 0.003 . 1 . . . . 81 PRO HA . 26978 1 29 . 1 1 6 6 PRO HB2 H 1 2.285 0.003 . 2 . . . . 81 PRO HB2 . 26978 1 30 . 1 1 6 6 PRO HB3 H 1 1.886 0.003 . 2 . . . . 81 PRO HB3 . 26978 1 31 . 1 1 6 6 PRO HG2 H 1 1.941 0.001 . 2 . . . . 81 PRO HG2 . 26978 1 32 . 1 1 6 6 PRO HG3 H 1 1.992 0.001 . 2 . . . . 81 PRO HG3 . 26978 1 33 . 1 1 6 6 PRO HD2 H 1 3.684 0.001 . 2 . . . . 81 PRO HD2 . 26978 1 34 . 1 1 6 6 PRO HD3 H 1 3.774 0.001 . 2 . . . . 81 PRO HD3 . 26978 1 35 . 1 1 6 6 PRO C C 13 176.868 0.000 . 1 . . . . 81 PRO C . 26978 1 36 . 1 1 6 6 PRO CA C 13 63.322 0.028 . 1 . . . . 81 PRO CA . 26978 1 37 . 1 1 6 6 PRO CB C 13 32.108 0.078 . 1 . . . . 81 PRO CB . 26978 1 38 . 1 1 6 6 PRO CG C 13 27.321 0.068 . 1 . . . . 81 PRO CG . 26978 1 39 . 1 1 6 6 PRO CD C 13 50.757 0.030 . 1 . . . . 81 PRO CD . 26978 1 40 . 1 1 7 7 LYS H H 1 8.426 0.002 . 1 . . . . 82 LYS H . 26978 1 41 . 1 1 7 7 LYS HA H 1 4.257 0.002 . 1 . . . . 82 LYS HA . 26978 1 42 . 1 1 7 7 LYS HB2 H 1 1.722 0.001 . 2 . . . . 82 LYS HB2 . 26978 1 43 . 1 1 7 7 LYS HB3 H 1 1.787 0.002 . 2 . . . . 82 LYS HB3 . 26978 1 44 . 1 1 7 7 LYS HG2 H 1 1.440 0.000 . 1 . . . . 82 LYS HG2 . 26978 1 45 . 1 1 7 7 LYS HD2 H 1 1.659 0.000 . 1 . . . . 82 LYS HD2 . 26978 1 46 . 1 1 7 7 LYS HE2 H 1 2.986 0.000 . 2 . . . . 82 LYS HE2 . 26978 1 47 . 1 1 7 7 LYS HE3 H 1 3.029 0.000 . 2 . . . . 82 LYS HE3 . 26978 1 48 . 1 1 7 7 LYS C C 13 176.367 0.000 . 1 . . . . 82 LYS C . 26978 1 49 . 1 1 7 7 LYS CA C 13 56.285 0.012 . 1 . . . . 82 LYS CA . 26978 1 50 . 1 1 7 7 LYS CB C 13 33.120 0.041 . 1 . . . . 82 LYS CB . 26978 1 51 . 1 1 7 7 LYS CG C 13 24.913 0.046 . 1 . . . . 82 LYS CG . 26978 1 52 . 1 1 7 7 LYS CD C 13 29.177 0.020 . 1 . . . . 82 LYS CD . 26978 1 53 . 1 1 7 7 LYS CE C 13 42.145 0.048 . 1 . . . . 82 LYS CE . 26978 1 54 . 1 1 7 7 LYS N N 15 121.779 0.030 . 1 . . . . 82 LYS N . 26978 1 55 . 1 1 8 8 GLN H H 1 8.392 0.002 . 1 . . . . 83 GLN H . 26978 1 56 . 1 1 8 8 GLN HA H 1 4.324 0.004 . 1 . . . . 83 GLN HA . 26978 1 57 . 1 1 8 8 GLN HB2 H 1 1.943 0.005 . 2 . . . . 83 GLN HB2 . 26978 1 58 . 1 1 8 8 GLN HB3 H 1 2.028 0.001 . 2 . . . . 83 GLN HB3 . 26978 1 59 . 1 1 8 8 GLN HG2 H 1 2.329 0.000 . 1 . . . . 83 GLN HG2 . 26978 1 60 . 1 1 8 8 GLN C C 13 175.648 0.000 . 1 . . . . 83 GLN C . 26978 1 61 . 1 1 8 8 GLN CA C 13 55.680 0.081 . 1 . . . . 83 GLN CA . 26978 1 62 . 1 1 8 8 GLN CB C 13 29.876 0.051 . 1 . . . . 83 GLN CB . 26978 1 63 . 1 1 8 8 GLN CG C 13 33.909 0.027 . 1 . . . . 83 GLN CG . 26978 1 64 . 1 1 8 8 GLN N N 15 121.835 0.026 . 1 . . . . 83 GLN N . 26978 1 65 . 1 1 9 9 ARG H H 1 8.532 0.003 . 1 . . . . 84 ARG H . 26978 1 66 . 1 1 9 9 ARG HA H 1 4.370 0.000 . 1 . . . . 84 ARG HA . 26978 1 67 . 1 1 9 9 ARG HB2 H 1 1.750 0.001 . 2 . . . . 84 ARG HB2 . 26978 1 68 . 1 1 9 9 ARG HB3 H 1 1.843 0.000 . 2 . . . . 84 ARG HB3 . 26978 1 69 . 1 1 9 9 ARG HG2 H 1 1.606 0.003 . 1 . . . . 84 ARG HG2 . 26978 1 70 . 1 1 9 9 ARG HD2 H 1 3.187 0.000 . 1 . . . . 84 ARG HD2 . 26978 1 71 . 1 1 9 9 ARG C C 13 176.132 0.000 . 1 . . . . 84 ARG C . 26978 1 72 . 1 1 9 9 ARG CA C 13 55.778 0.023 . 1 . . . . 84 ARG CA . 26978 1 73 . 1 1 9 9 ARG CB C 13 31.072 0.064 . 1 . . . . 84 ARG CB . 26978 1 74 . 1 1 9 9 ARG CG C 13 27.118 0.075 . 1 . . . . 84 ARG CG . 26978 1 75 . 1 1 9 9 ARG CD C 13 43.448 0.072 . 1 . . . . 84 ARG CD . 26978 1 76 . 1 1 9 9 ARG N N 15 123.439 0.029 . 1 . . . . 84 ARG N . 26978 1 77 . 1 1 10 10 ARG H H 1 8.714 0.003 . 1 . . . . 85 ARG H . 26978 1 78 . 1 1 10 10 ARG HA H 1 4.308 0.000 . 1 . . . . 85 ARG HA . 26978 1 79 . 1 1 10 10 ARG HB2 H 1 1.823 0.009 . 1 . . . . 85 ARG HB2 . 26978 1 80 . 1 1 10 10 ARG C C 13 175.946 0.000 . 1 . . . . 85 ARG C . 26978 1 81 . 1 1 10 10 ARG CA C 13 56.465 0.040 . 1 . . . . 85 ARG CA . 26978 1 82 . 1 1 10 10 ARG CB C 13 30.894 0.054 . 1 . . . . 85 ARG CB . 26978 1 83 . 1 1 10 10 ARG CG C 13 27.327 0.000 . 1 . . . . 85 ARG CG . 26978 1 84 . 1 1 10 10 ARG CD C 13 43.455 0.000 . 1 . . . . 85 ARG CD . 26978 1 85 . 1 1 10 10 ARG N N 15 123.512 0.035 . 1 . . . . 85 ARG N . 26978 1 86 . 1 1 11 11 SER H H 1 8.335 0.006 . 1 . . . . 86 SER H . 26978 1 87 . 1 1 11 11 SER CA C 13 57.636 0.000 . 1 . . . . 86 SER CA . 26978 1 88 . 1 1 11 11 SER CB C 13 63.977 0.000 . 1 . . . . 86 SER CB . 26978 1 89 . 1 1 11 11 SER N N 15 117.013 0.078 . 1 . . . . 86 SER N . 26978 1 90 . 1 1 14 14 ARG HB2 H 1 1.822 0.000 . 1 . . . . 89 ARG HB2 . 26978 1 91 . 1 1 14 14 ARG C C 13 176.900 0.000 . 1 . . . . 89 ARG C . 26978 1 92 . 1 1 14 14 ARG CA C 13 57.539 0.006 . 1 . . . . 89 ARG CA . 26978 1 93 . 1 1 14 14 ARG CB C 13 30.586 0.000 . 1 . . . . 89 ARG CB . 26978 1 94 . 1 1 15 15 ASP H H 1 8.231 0.002 . 1 . . . . 90 ASP H . 26978 1 95 . 1 1 15 15 ASP HA H 1 4.526 0.000 . 1 . . . . 90 ASP HA . 26978 1 96 . 1 1 15 15 ASP HB2 H 1 2.691 0.003 . 1 . . . . 90 ASP HB2 . 26978 1 97 . 1 1 15 15 ASP C C 13 176.483 0.000 . 1 . . . . 90 ASP C . 26978 1 98 . 1 1 15 15 ASP CA C 13 55.475 0.066 . 1 . . . . 90 ASP CA . 26978 1 99 . 1 1 15 15 ASP CB C 13 40.820 0.059 . 1 . . . . 90 ASP CB . 26978 1 100 . 1 1 15 15 ASP N N 15 118.768 0.021 . 1 . . . . 90 ASP N . 26978 1 101 . 1 1 16 16 ARG H H 1 8.117 0.004 . 1 . . . . 91 ARG H . 26978 1 102 . 1 1 16 16 ARG HA H 1 4.411 0.000 . 1 . . . . 91 ARG HA . 26978 1 103 . 1 1 16 16 ARG HB2 H 1 1.800 0.000 . 2 . . . . 91 ARG HB2 . 26978 1 104 . 1 1 16 16 ARG HB3 H 1 1.955 0.008 . 2 . . . . 91 ARG HB3 . 26978 1 105 . 1 1 16 16 ARG HG2 H 1 1.673 0.000 . 2 . . . . 91 ARG HG2 . 26978 1 106 . 1 1 16 16 ARG HG3 H 1 1.593 0.000 . 2 . . . . 91 ARG HG3 . 26978 1 107 . 1 1 16 16 ARG HD2 H 1 3.153 0.000 . 1 . . . . 91 ARG HD2 . 26978 1 108 . 1 1 16 16 ARG C C 13 176.634 0.000 . 1 . . . . 91 ARG C . 26978 1 109 . 1 1 16 16 ARG CA C 13 56.494 0.079 . 1 . . . . 91 ARG CA . 26978 1 110 . 1 1 16 16 ARG CB C 13 31.764 0.041 . 1 . . . . 91 ARG CB . 26978 1 111 . 1 1 16 16 ARG CG C 13 27.072 0.000 . 1 . . . . 91 ARG CG . 26978 1 112 . 1 1 16 16 ARG CD C 13 43.645 0.000 . 1 . . . . 91 ARG CD . 26978 1 113 . 1 1 16 16 ARG N N 15 119.075 0.084 . 1 . . . . 91 ARG N . 26978 1 114 . 1 1 17 17 GLY H H 1 8.018 0.008 . 1 . . . . 92 GLY H . 26978 1 115 . 1 1 17 17 GLY HA2 H 1 4.144 0.000 . 2 . . . . 92 GLY HA2 . 26978 1 116 . 1 1 17 17 GLY HA3 H 1 4.375 0.000 . 2 . . . . 92 GLY HA3 . 26978 1 117 . 1 1 17 17 GLY CA C 13 44.003 0.021 . 1 . . . . 92 GLY CA . 26978 1 118 . 1 1 17 17 GLY N N 15 108.916 0.052 . 1 . . . . 92 GLY N . 26978 1 119 . 1 1 18 18 PRO HA H 1 4.763 0.000 . 1 . . . . 93 PRO HA . 26978 1 120 . 1 1 18 18 PRO HB2 H 1 2.355 0.001 . 2 . . . . 93 PRO HB2 . 26978 1 121 . 1 1 18 18 PRO HB3 H 1 2.086 0.005 . 2 . . . . 93 PRO HB3 . 26978 1 122 . 1 1 18 18 PRO HG2 H 1 1.797 0.000 . 2 . . . . 93 PRO HG2 . 26978 1 123 . 1 1 18 18 PRO HG3 H 1 1.888 0.001 . 2 . . . . 93 PRO HG3 . 26978 1 124 . 1 1 18 18 PRO HD2 H 1 3.560 0.000 . 2 . . . . 93 PRO HD2 . 26978 1 125 . 1 1 18 18 PRO HD3 H 1 3.498 0.000 . 2 . . . . 93 PRO HD3 . 26978 1 126 . 1 1 18 18 PRO C C 13 175.986 0.000 . 1 . . . . 93 PRO C . 26978 1 127 . 1 1 18 18 PRO CA C 13 62.720 0.013 . 1 . . . . 93 PRO CA . 26978 1 128 . 1 1 18 18 PRO CB C 13 34.431 0.051 . 1 . . . . 93 PRO CB . 26978 1 129 . 1 1 18 18 PRO CG C 13 24.813 0.051 . 1 . . . . 93 PRO CG . 26978 1 130 . 1 1 18 18 PRO CD C 13 50.217 0.016 . 1 . . . . 93 PRO CD . 26978 1 131 . 1 1 19 19 MET H H 1 8.635 0.001 . 1 . . . . 94 MET H . 26978 1 132 . 1 1 19 19 MET CA C 13 56.687 0.000 . 1 . . . . 94 MET CA . 26978 1 133 . 1 1 19 19 MET CB C 13 33.152 0.000 . 1 . . . . 94 MET CB . 26978 1 134 . 1 1 19 19 MET N N 15 122.242 0.025 . 1 . . . . 94 MET N . 26978 1 135 . 1 1 23 23 PRO HA H 1 4.615 0.002 . 1 . . . . 98 PRO HA . 26978 1 136 . 1 1 23 23 PRO HB2 H 1 2.350 0.001 . 2 . . . . 98 PRO HB2 . 26978 1 137 . 1 1 23 23 PRO HB3 H 1 2.077 0.001 . 2 . . . . 98 PRO HB3 . 26978 1 138 . 1 1 23 23 PRO HG2 H 1 1.928 0.000 . 2 . . . . 98 PRO HG2 . 26978 1 139 . 1 1 23 23 PRO HG3 H 1 2.034 0.000 . 2 . . . . 98 PRO HG3 . 26978 1 140 . 1 1 23 23 PRO C C 13 176.926 0.000 . 1 . . . . 98 PRO C . 26978 1 141 . 1 1 23 23 PRO CA C 13 63.542 0.042 . 1 . . . . 98 PRO CA . 26978 1 142 . 1 1 23 23 PRO CB C 13 32.330 0.048 . 1 . . . . 98 PRO CB . 26978 1 143 . 1 1 23 23 PRO CG C 13 26.461 0.047 . 1 . . . . 98 PRO CG . 26978 1 144 . 1 1 23 23 PRO CD C 13 51.202 0.021 . 1 . . . . 98 PRO CD . 26978 1 145 . 1 1 24 24 THR H H 1 8.384 0.002 . 1 . . . . 99 THR H . 26978 1 146 . 1 1 24 24 THR HA H 1 4.303 0.000 . 1 . . . . 99 THR HA . 26978 1 147 . 1 1 24 24 THR HB H 1 4.218 0.002 . 1 . . . . 99 THR HB . 26978 1 148 . 1 1 24 24 THR HG21 H 1 1.126 0.000 . 1 . . . . 99 THR HG21 . 26978 1 149 . 1 1 24 24 THR HG22 H 1 1.126 0.000 . 1 . . . . 99 THR HG22 . 26978 1 150 . 1 1 24 24 THR HG23 H 1 1.126 0.000 . 1 . . . . 99 THR HG23 . 26978 1 151 . 1 1 24 24 THR C C 13 175.518 0.000 . 1 . . . . 99 THR C . 26978 1 152 . 1 1 24 24 THR CA C 13 62.287 0.069 . 1 . . . . 99 THR CA . 26978 1 153 . 1 1 24 24 THR CB C 13 69.328 0.103 . 1 . . . . 99 THR CB . 26978 1 154 . 1 1 24 24 THR CG2 C 13 21.592 0.014 . 1 . . . . 99 THR CG2 . 26978 1 155 . 1 1 24 24 THR N N 15 110.412 0.062 . 1 . . . . 99 THR N . 26978 1 156 . 1 1 25 25 LEU H H 1 6.830 0.006 . 1 . . . . 100 LEU H . 26978 1 157 . 1 1 25 25 LEU HA H 1 4.054 0.001 . 1 . . . . 100 LEU HA . 26978 1 158 . 1 1 25 25 LEU HB2 H 1 1.346 0.003 . 2 . . . . 100 LEU HB2 . 26978 1 159 . 1 1 25 25 LEU HB3 H 1 1.645 0.000 . 2 . . . . 100 LEU HB3 . 26978 1 160 . 1 1 25 25 LEU HG H 1 1.041 0.001 . 1 . . . . 100 LEU HG . 26978 1 161 . 1 1 25 25 LEU HD11 H 1 0.797 0.001 . 1 . . . . 100 LEU HD11 . 26978 1 162 . 1 1 25 25 LEU HD12 H 1 0.797 0.001 . 1 . . . . 100 LEU HD12 . 26978 1 163 . 1 1 25 25 LEU HD13 H 1 0.797 0.001 . 1 . . . . 100 LEU HD13 . 26978 1 164 . 1 1 25 25 LEU CA C 13 53.479 0.021 . 1 . . . . 100 LEU CA . 26978 1 165 . 1 1 25 25 LEU CB C 13 41.742 0.068 . 1 . . . . 100 LEU CB . 26978 1 166 . 1 1 25 25 LEU CG C 13 26.773 0.069 . 1 . . . . 100 LEU CG . 26978 1 167 . 1 1 25 25 LEU CD1 C 13 24.511 0.027 . 1 . . . . 100 LEU CD1 . 26978 1 168 . 1 1 25 25 LEU N N 15 123.831 0.164 . 1 . . . . 100 LEU N . 26978 1 169 . 1 1 26 26 PRO HA H 1 4.330 0.004 . 1 . . . . 101 PRO HA . 26978 1 170 . 1 1 26 26 PRO HB2 H 1 2.283 0.003 . 2 . . . . 101 PRO HB2 . 26978 1 171 . 1 1 26 26 PRO HB3 H 1 1.812 0.005 . 2 . . . . 101 PRO HB3 . 26978 1 172 . 1 1 26 26 PRO HG2 H 1 1.542 0.000 . 2 . . . . 101 PRO HG2 . 26978 1 173 . 1 1 26 26 PRO HG3 H 1 1.184 0.000 . 2 . . . . 101 PRO HG3 . 26978 1 174 . 1 1 26 26 PRO HD2 H 1 3.173 0.000 . 2 . . . . 101 PRO HD2 . 26978 1 175 . 1 1 26 26 PRO HD3 H 1 2.489 0.000 . 2 . . . . 101 PRO HD3 . 26978 1 176 . 1 1 26 26 PRO C C 13 175.677 0.000 . 1 . . . . 101 PRO C . 26978 1 177 . 1 1 26 26 PRO CA C 13 62.268 0.025 . 1 . . . . 101 PRO CA . 26978 1 178 . 1 1 26 26 PRO CB C 13 31.108 0.060 . 1 . . . . 101 PRO CB . 26978 1 179 . 1 1 26 26 PRO CG C 13 27.464 0.015 . 1 . . . . 101 PRO CG . 26978 1 180 . 1 1 26 26 PRO CD C 13 49.811 0.016 . 1 . . . . 101 PRO CD . 26978 1 181 . 1 1 27 27 GLU H H 1 8.332 0.002 . 1 . . . . 102 GLU H . 26978 1 182 . 1 1 27 27 GLU HA H 1 4.073 0.001 . 1 . . . . 102 GLU HA . 26978 1 183 . 1 1 27 27 GLU HB2 H 1 2.077 0.000 . 2 . . . . 102 GLU HB2 . 26978 1 184 . 1 1 27 27 GLU HB3 H 1 1.977 0.000 . 2 . . . . 102 GLU HB3 . 26978 1 185 . 1 1 27 27 GLU HG2 H 1 2.300 0.001 . 1 . . . . 102 GLU HG2 . 26978 1 186 . 1 1 27 27 GLU C C 13 177.843 0.000 . 1 . . . . 102 GLU C . 26978 1 187 . 1 1 27 27 GLU CA C 13 58.445 0.022 . 1 . . . . 102 GLU CA . 26978 1 188 . 1 1 27 27 GLU CB C 13 29.818 0.056 . 1 . . . . 102 GLU CB . 26978 1 189 . 1 1 27 27 GLU CG C 13 35.826 0.038 . 1 . . . . 102 GLU CG . 26978 1 190 . 1 1 27 27 GLU N N 15 120.580 0.042 . 1 . . . . 102 GLU N . 26978 1 191 . 1 1 28 28 GLY H H 1 8.888 0.001 . 1 . . . . 103 GLY H . 26978 1 192 . 1 1 28 28 GLY HA2 H 1 4.335 0.000 . 2 . . . . 103 GLY HA2 . 26978 1 193 . 1 1 28 28 GLY HA3 H 1 3.705 0.002 . 2 . . . . 103 GLY HA3 . 26978 1 194 . 1 1 28 28 GLY C C 13 174.619 0.000 . 1 . . . . 103 GLY C . 26978 1 195 . 1 1 28 28 GLY CA C 13 45.518 0.056 . 1 . . . . 103 GLY CA . 26978 1 196 . 1 1 28 28 GLY N N 15 114.467 0.012 . 1 . . . . 103 GLY N . 26978 1 197 . 1 1 29 29 TRP H H 1 8.466 0.003 . 1 . . . . 104 TRP H . 26978 1 198 . 1 1 29 29 TRP HA H 1 5.185 0.000 . 1 . . . . 104 TRP HA . 26978 1 199 . 1 1 29 29 TRP HB2 H 1 3.464 0.006 . 2 . . . . 104 TRP HB2 . 26978 1 200 . 1 1 29 29 TRP HB3 H 1 3.187 0.005 . 2 . . . . 104 TRP HB3 . 26978 1 201 . 1 1 29 29 TRP C C 13 176.709 0.000 . 1 . . . . 104 TRP C . 26978 1 202 . 1 1 29 29 TRP CA C 13 57.480 0.019 . 1 . . . . 104 TRP CA . 26978 1 203 . 1 1 29 29 TRP CB C 13 30.042 0.074 . 1 . . . . 104 TRP CB . 26978 1 204 . 1 1 29 29 TRP N N 15 122.208 0.046 . 1 . . . . 104 TRP N . 26978 1 205 . 1 1 30 30 THR H H 1 9.158 0.004 . 1 . . . . 105 THR H . 26978 1 206 . 1 1 30 30 THR HA H 1 4.699 0.000 . 1 . . . . 105 THR HA . 26978 1 207 . 1 1 30 30 THR HB H 1 4.057 0.000 . 1 . . . . 105 THR HB . 26978 1 208 . 1 1 30 30 THR HG21 H 1 1.169 0.000 . 1 . . . . 105 THR HG21 . 26978 1 209 . 1 1 30 30 THR HG22 H 1 1.169 0.000 . 1 . . . . 105 THR HG22 . 26978 1 210 . 1 1 30 30 THR HG23 H 1 1.169 0.000 . 1 . . . . 105 THR HG23 . 26978 1 211 . 1 1 30 30 THR CA C 13 61.107 0.040 . 1 . . . . 105 THR CA . 26978 1 212 . 1 1 30 30 THR CB C 13 72.966 0.024 . 1 . . . . 105 THR CB . 26978 1 213 . 1 1 30 30 THR CG2 C 13 22.248 0.104 . 1 . . . . 105 THR CG2 . 26978 1 214 . 1 1 30 30 THR N N 15 113.055 0.042 . 1 . . . . 105 THR N . 26978 1 215 . 1 1 31 31 ARG HA H 1 5.243 0.005 . 1 . . . . 106 ARG HA . 26978 1 216 . 1 1 31 31 ARG HG2 H 1 1.453 0.000 . 1 . . . . 106 ARG HG2 . 26978 1 217 . 1 1 31 31 ARG C C 13 174.649 0.000 . 1 . . . . 106 ARG C . 26978 1 218 . 1 1 31 31 ARG CA C 13 54.528 0.019 . 1 . . . . 106 ARG CA . 26978 1 219 . 1 1 31 31 ARG CB C 13 33.429 0.090 . 1 . . . . 106 ARG CB . 26978 1 220 . 1 1 31 31 ARG CG C 13 27.641 0.000 . 1 . . . . 106 ARG CG . 26978 1 221 . 1 1 32 32 LYS H H 1 9.556 0.005 . 1 . . . . 107 LYS H . 26978 1 222 . 1 1 32 32 LYS HA H 1 4.868 0.005 . 1 . . . . 107 LYS HA . 26978 1 223 . 1 1 32 32 LYS HB2 H 1 1.695 0.003 . 2 . . . . 107 LYS HB2 . 26978 1 224 . 1 1 32 32 LYS HB3 H 1 1.862 0.006 . 2 . . . . 107 LYS HB3 . 26978 1 225 . 1 1 32 32 LYS HG2 H 1 1.261 0.000 . 2 . . . . 107 LYS HG2 . 26978 1 226 . 1 1 32 32 LYS HG3 H 1 1.447 0.000 . 2 . . . . 107 LYS HG3 . 26978 1 227 . 1 1 32 32 LYS HD2 H 1 1.645 0.000 . 1 . . . . 107 LYS HD2 . 26978 1 228 . 1 1 32 32 LYS HE2 H 1 2.837 0.000 . 1 . . . . 107 LYS HE2 . 26978 1 229 . 1 1 32 32 LYS C C 13 173.841 0.000 . 1 . . . . 107 LYS C . 26978 1 230 . 1 1 32 32 LYS CA C 13 55.123 0.047 . 1 . . . . 107 LYS CA . 26978 1 231 . 1 1 32 32 LYS CB C 13 36.026 0.051 . 1 . . . . 107 LYS CB . 26978 1 232 . 1 1 32 32 LYS CG C 13 25.074 0.029 . 1 . . . . 107 LYS CG . 26978 1 233 . 1 1 32 32 LYS CD C 13 29.323 0.055 . 1 . . . . 107 LYS CD . 26978 1 234 . 1 1 32 32 LYS CE C 13 42.033 0.025 . 1 . . . . 107 LYS CE . 26978 1 235 . 1 1 32 32 LYS N N 15 127.293 0.079 . 1 . . . . 107 LYS N . 26978 1 236 . 1 1 33 33 LEU H H 1 9.095 0.004 . 1 . . . . 108 LEU H . 26978 1 237 . 1 1 33 33 LEU HA H 1 5.402 0.004 . 1 . . . . 108 LEU HA . 26978 1 238 . 1 1 33 33 LEU HB2 H 1 1.661 0.011 . 1 . . . . 108 LEU HB2 . 26978 1 239 . 1 1 33 33 LEU HG H 1 1.554 0.000 . 1 . . . . 108 LEU HG . 26978 1 240 . 1 1 33 33 LEU HD11 H 1 0.619 0.000 . 2 . . . . 108 LEU HD11 . 26978 1 241 . 1 1 33 33 LEU HD12 H 1 0.619 0.000 . 2 . . . . 108 LEU HD12 . 26978 1 242 . 1 1 33 33 LEU HD13 H 1 0.619 0.000 . 2 . . . . 108 LEU HD13 . 26978 1 243 . 1 1 33 33 LEU HD21 H 1 0.431 0.000 . 2 . . . . 108 LEU HD21 . 26978 1 244 . 1 1 33 33 LEU HD22 H 1 0.431 0.000 . 2 . . . . 108 LEU HD22 . 26978 1 245 . 1 1 33 33 LEU HD23 H 1 0.431 0.000 . 2 . . . . 108 LEU HD23 . 26978 1 246 . 1 1 33 33 LEU C C 13 177.399 0.000 . 1 . . . . 108 LEU C . 26978 1 247 . 1 1 33 33 LEU CA C 13 53.857 0.074 . 1 . . . . 108 LEU CA . 26978 1 248 . 1 1 33 33 LEU CB C 13 43.626 0.072 . 1 . . . . 108 LEU CB . 26978 1 249 . 1 1 33 33 LEU CG C 13 29.227 0.036 . 1 . . . . 108 LEU CG . 26978 1 250 . 1 1 33 33 LEU CD1 C 13 25.839 0.030 . 2 . . . . 108 LEU CD1 . 26978 1 251 . 1 1 33 33 LEU CD2 C 13 25.895 0.009 . 2 . . . . 108 LEU CD2 . 26978 1 252 . 1 1 33 33 LEU N N 15 127.633 0.026 . 1 . . . . 108 LEU N . 26978 1 253 . 1 1 34 34 LYS H H 1 8.927 0.003 . 1 . . . . 109 LYS H . 26978 1 254 . 1 1 34 34 LYS HB2 H 1 2.025 0.002 . 1 . . . . 109 LYS HB2 . 26978 1 255 . 1 1 34 34 LYS C C 13 175.174 0.000 . 1 . . . . 109 LYS C . 26978 1 256 . 1 1 34 34 LYS CA C 13 55.285 0.040 . 1 . . . . 109 LYS CA . 26978 1 257 . 1 1 34 34 LYS CB C 13 36.146 0.021 . 1 . . . . 109 LYS CB . 26978 1 258 . 1 1 34 34 LYS CG C 13 25.330 0.000 . 1 . . . . 109 LYS CG . 26978 1 259 . 1 1 34 34 LYS CD C 13 29.397 0.000 . 1 . . . . 109 LYS CD . 26978 1 260 . 1 1 34 34 LYS CE C 13 42.002 0.000 . 1 . . . . 109 LYS CE . 26978 1 261 . 1 1 34 34 LYS N N 15 122.794 0.066 . 1 . . . . 109 LYS N . 26978 1 262 . 1 1 35 35 GLN H H 1 9.081 0.005 . 1 . . . . 110 GLN H . 26978 1 263 . 1 1 35 35 GLN HA H 1 4.553 0.003 . 1 . . . . 110 GLN HA . 26978 1 264 . 1 1 35 35 GLN HB2 H 1 1.893 0.000 . 2 . . . . 110 GLN HB2 . 26978 1 265 . 1 1 35 35 GLN HB3 H 1 1.559 0.000 . 2 . . . . 110 GLN HB3 . 26978 1 266 . 1 1 35 35 GLN HG2 H 1 1.919 0.000 . 2 . . . . 110 GLN HG2 . 26978 1 267 . 1 1 35 35 GLN HG3 H 1 1.248 0.000 . 2 . . . . 110 GLN HG3 . 26978 1 268 . 1 1 35 35 GLN C C 13 176.582 0.000 . 1 . . . . 110 GLN C . 26978 1 269 . 1 1 35 35 GLN CA C 13 54.718 0.063 . 1 . . . . 110 GLN CA . 26978 1 270 . 1 1 35 35 GLN CB C 13 30.624 0.042 . 1 . . . . 110 GLN CB . 26978 1 271 . 1 1 35 35 GLN CG C 13 33.834 0.035 . 1 . . . . 110 GLN CG . 26978 1 272 . 1 1 35 35 GLN N N 15 127.511 0.051 . 1 . . . . 110 GLN N . 26978 1 273 . 1 1 36 36 ARG H H 1 9.284 0.002 . 1 . . . . 111 ARG H . 26978 1 274 . 1 1 36 36 ARG HA H 1 4.401 0.002 . 1 . . . . 111 ARG HA . 26978 1 275 . 1 1 36 36 ARG HB2 H 1 1.861 0.000 . 2 . . . . 111 ARG HB2 . 26978 1 276 . 1 1 36 36 ARG HB3 H 1 1.632 0.000 . 2 . . . . 111 ARG HB3 . 26978 1 277 . 1 1 36 36 ARG C C 13 178.705 0.000 . 1 . . . . 111 ARG C . 26978 1 278 . 1 1 36 36 ARG CA C 13 57.950 0.036 . 1 . . . . 111 ARG CA . 26978 1 279 . 1 1 36 36 ARG CB C 13 30.563 0.002 . 1 . . . . 111 ARG CB . 26978 1 280 . 1 1 36 36 ARG N N 15 128.275 0.070 . 1 . . . . 111 ARG N . 26978 1 281 . 1 1 37 37 LYS H H 1 9.190 0.005 . 1 . . . . 112 LYS H . 26978 1 282 . 1 1 37 37 LYS HA H 1 4.400 0.000 . 1 . . . . 112 LYS HA . 26978 1 283 . 1 1 37 37 LYS HB2 H 1 1.870 0.002 . 1 . . . . 112 LYS HB2 . 26978 1 284 . 1 1 37 37 LYS HG2 H 1 1.555 0.000 . 2 . . . . 112 LYS HG2 . 26978 1 285 . 1 1 37 37 LYS HG3 H 1 1.450 0.000 . 2 . . . . 112 LYS HG3 . 26978 1 286 . 1 1 37 37 LYS HD2 H 1 1.669 0.000 . 1 . . . . 112 LYS HD2 . 26978 1 287 . 1 1 37 37 LYS C C 13 176.280 0.000 . 1 . . . . 112 LYS C . 26978 1 288 . 1 1 37 37 LYS CA C 13 57.046 0.045 . 1 . . . . 112 LYS CA . 26978 1 289 . 1 1 37 37 LYS CB C 13 34.864 0.060 . 1 . . . . 112 LYS CB . 26978 1 290 . 1 1 37 37 LYS CG C 13 24.765 0.028 . 1 . . . . 112 LYS CG . 26978 1 291 . 1 1 37 37 LYS CD C 13 29.028 0.000 . 1 . . . . 112 LYS CD . 26978 1 292 . 1 1 37 37 LYS CE C 13 42.110 0.000 . 1 . . . . 112 LYS CE . 26978 1 293 . 1 1 37 37 LYS N N 15 124.534 0.056 . 1 . . . . 112 LYS N . 26978 1 294 . 1 1 38 38 SER H H 1 8.340 0.005 . 1 . . . . 113 SER H . 26978 1 295 . 1 1 38 38 SER HA H 1 4.755 0.000 . 1 . . . . 113 SER HA . 26978 1 296 . 1 1 38 38 SER HB2 H 1 3.793 0.002 . 1 . . . . 113 SER HB2 . 26978 1 297 . 1 1 38 38 SER C C 13 171.555 0.000 . 1 . . . . 113 SER C . 26978 1 298 . 1 1 38 38 SER CA C 13 57.538 0.035 . 1 . . . . 113 SER CA . 26978 1 299 . 1 1 38 38 SER CB C 13 66.028 0.050 . 1 . . . . 113 SER CB . 26978 1 300 . 1 1 38 38 SER N N 15 116.406 0.098 . 1 . . . . 113 SER N . 26978 1 301 . 1 1 39 39 GLY H H 1 8.042 0.002 . 1 . . . . 114 GLY H . 26978 1 302 . 1 1 39 39 GLY HA2 H 1 4.375 0.000 . 2 . . . . 114 GLY HA2 . 26978 1 303 . 1 1 39 39 GLY HA3 H 1 3.788 0.000 . 2 . . . . 114 GLY HA3 . 26978 1 304 . 1 1 39 39 GLY C C 13 175.906 0.000 . 1 . . . . 114 GLY C . 26978 1 305 . 1 1 39 39 GLY CA C 13 43.971 0.033 . 1 . . . . 114 GLY CA . 26978 1 306 . 1 1 39 39 GLY N N 15 102.651 0.032 . 1 . . . . 114 GLY N . 26978 1 307 . 1 1 40 40 ARG H H 1 8.891 0.001 . 1 . . . . 115 ARG H . 26978 1 308 . 1 1 40 40 ARG HA H 1 4.036 0.001 . 1 . . . . 115 ARG HA . 26978 1 309 . 1 1 40 40 ARG HB2 H 1 1.888 0.001 . 1 . . . . 115 ARG HB2 . 26978 1 310 . 1 1 40 40 ARG HG2 H 1 1.697 0.000 . 2 . . . . 115 ARG HG2 . 26978 1 311 . 1 1 40 40 ARG HG3 H 1 1.756 0.000 . 2 . . . . 115 ARG HG3 . 26978 1 312 . 1 1 40 40 ARG HD2 H 1 3.252 0.000 . 1 . . . . 115 ARG HD2 . 26978 1 313 . 1 1 40 40 ARG C C 13 178.105 0.000 . 1 . . . . 115 ARG C . 26978 1 314 . 1 1 40 40 ARG CA C 13 59.065 0.027 . 1 . . . . 115 ARG CA . 26978 1 315 . 1 1 40 40 ARG CB C 13 29.974 0.044 . 1 . . . . 115 ARG CB . 26978 1 316 . 1 1 40 40 ARG CG C 13 27.568 0.060 . 1 . . . . 115 ARG CG . 26978 1 317 . 1 1 40 40 ARG CD C 13 43.479 0.026 . 1 . . . . 115 ARG CD . 26978 1 318 . 1 1 40 40 ARG N N 15 122.357 0.019 . 1 . . . . 115 ARG N . 26978 1 319 . 1 1 41 41 SER H H 1 8.359 0.003 . 1 . . . . 116 SER H . 26978 1 320 . 1 1 41 41 SER HA H 1 4.345 0.000 . 1 . . . . 116 SER HA . 26978 1 321 . 1 1 41 41 SER HB2 H 1 4.078 0.000 . 1 . . . . 116 SER HB2 . 26978 1 322 . 1 1 41 41 SER C C 13 172.456 0.000 . 1 . . . . 116 SER C . 26978 1 323 . 1 1 41 41 SER CA C 13 57.329 0.017 . 1 . . . . 116 SER CA . 26978 1 324 . 1 1 41 41 SER CB C 13 62.995 0.055 . 1 . . . . 116 SER CB . 26978 1 325 . 1 1 41 41 SER N N 15 110.497 0.040 . 1 . . . . 116 SER N . 26978 1 326 . 1 1 42 42 ALA H H 1 6.813 0.002 . 1 . . . . 117 ALA H . 26978 1 327 . 1 1 42 42 ALA HA H 1 3.297 0.004 . 1 . . . . 117 ALA HA . 26978 1 328 . 1 1 42 42 ALA HB1 H 1 1.034 0.002 . 1 . . . . 117 ALA HB1 . 26978 1 329 . 1 1 42 42 ALA HB2 H 1 1.034 0.002 . 1 . . . . 117 ALA HB2 . 26978 1 330 . 1 1 42 42 ALA HB3 H 1 1.034 0.002 . 1 . . . . 117 ALA HB3 . 26978 1 331 . 1 1 42 42 ALA C C 13 177.959 0.000 . 1 . . . . 117 ALA C . 26978 1 332 . 1 1 42 42 ALA CA C 13 54.358 0.009 . 1 . . . . 117 ALA CA . 26978 1 333 . 1 1 42 42 ALA CB C 13 17.749 0.033 . 1 . . . . 117 ALA CB . 26978 1 334 . 1 1 42 42 ALA N N 15 123.393 0.054 . 1 . . . . 117 ALA N . 26978 1 335 . 1 1 43 43 GLY H H 1 8.261 0.005 . 1 . . . . 118 GLY H . 26978 1 336 . 1 1 43 43 GLY HA2 H 1 4.379 0.000 . 2 . . . . 118 GLY HA2 . 26978 1 337 . 1 1 43 43 GLY HA3 H 1 3.358 0.000 . 2 . . . . 118 GLY HA3 . 26978 1 338 . 1 1 43 43 GLY C C 13 174.647 0.000 . 1 . . . . 118 GLY C . 26978 1 339 . 1 1 43 43 GLY CA C 13 44.514 0.029 . 1 . . . . 118 GLY CA . 26978 1 340 . 1 1 43 43 GLY N N 15 111.180 0.073 . 1 . . . . 118 GLY N . 26978 1 341 . 1 1 44 44 LYS H H 1 7.830 0.002 . 1 . . . . 119 LYS H . 26978 1 342 . 1 1 44 44 LYS HA H 1 4.297 0.000 . 1 . . . . 119 LYS HA . 26978 1 343 . 1 1 44 44 LYS HB2 H 1 1.866 0.000 . 1 . . . . 119 LYS HB2 . 26978 1 344 . 1 1 44 44 LYS C C 13 174.702 0.000 . 1 . . . . 119 LYS C . 26978 1 345 . 1 1 44 44 LYS CA C 13 56.324 0.039 . 1 . . . . 119 LYS CA . 26978 1 346 . 1 1 44 44 LYS CB C 13 33.070 0.037 . 1 . . . . 119 LYS CB . 26978 1 347 . 1 1 44 44 LYS N N 15 121.842 0.049 . 1 . . . . 119 LYS N . 26978 1 348 . 1 1 45 45 TYR H H 1 8.899 0.007 . 1 . . . . 120 TYR H . 26978 1 349 . 1 1 45 45 TYR HA H 1 5.244 0.000 . 1 . . . . 120 TYR HA . 26978 1 350 . 1 1 45 45 TYR HB2 H 1 2.667 0.000 . 2 . . . . 120 TYR HB2 . 26978 1 351 . 1 1 45 45 TYR HB3 H 1 2.515 0.000 . 2 . . . . 120 TYR HB3 . 26978 1 352 . 1 1 45 45 TYR C C 13 175.238 0.000 . 1 . . . . 120 TYR C . 26978 1 353 . 1 1 45 45 TYR CA C 13 58.007 0.019 . 1 . . . . 120 TYR CA . 26978 1 354 . 1 1 45 45 TYR CB C 13 41.783 0.020 . 1 . . . . 120 TYR CB . 26978 1 355 . 1 1 45 45 TYR N N 15 119.005 0.056 . 1 . . . . 120 TYR N . 26978 1 356 . 1 1 46 46 ASP H H 1 8.700 0.014 . 1 . . . . 121 ASP H . 26978 1 357 . 1 1 46 46 ASP HA H 1 5.020 0.000 . 1 . . . . 121 ASP HA . 26978 1 358 . 1 1 46 46 ASP HB2 H 1 2.061 0.000 . 2 . . . . 121 ASP HB2 . 26978 1 359 . 1 1 46 46 ASP HB3 H 1 2.500 0.000 . 2 . . . . 121 ASP HB3 . 26978 1 360 . 1 1 46 46 ASP C C 13 174.112 0.000 . 1 . . . . 121 ASP C . 26978 1 361 . 1 1 46 46 ASP CA C 13 53.579 0.013 . 1 . . . . 121 ASP CA . 26978 1 362 . 1 1 46 46 ASP CB C 13 45.519 0.000 . 1 . . . . 121 ASP CB . 26978 1 363 . 1 1 46 46 ASP N N 15 117.250 0.098 . 1 . . . . 121 ASP N . 26978 1 364 . 1 1 47 47 VAL H H 1 8.585 0.006 . 1 . . . . 122 VAL H . 26978 1 365 . 1 1 47 47 VAL CA C 13 62.507 0.000 . 1 . . . . 122 VAL CA . 26978 1 366 . 1 1 47 47 VAL CB C 13 33.333 0.000 . 1 . . . . 122 VAL CB . 26978 1 367 . 1 1 47 47 VAL N N 15 121.254 0.053 . 1 . . . . 122 VAL N . 26978 1 368 . 1 1 48 48 TYR HA H 1 5.293 0.000 . 1 . . . . 123 TYR HA . 26978 1 369 . 1 1 48 48 TYR HB2 H 1 2.962 0.000 . 2 . . . . 123 TYR HB2 . 26978 1 370 . 1 1 48 48 TYR HB3 H 1 2.722 0.000 . 2 . . . . 123 TYR HB3 . 26978 1 371 . 1 1 48 48 TYR C C 13 174.431 0.000 . 1 . . . . 123 TYR C . 26978 1 372 . 1 1 48 48 TYR CA C 13 56.005 0.007 . 1 . . . . 123 TYR CA . 26978 1 373 . 1 1 48 48 TYR CB C 13 40.888 0.000 . 1 . . . . 123 TYR CB . 26978 1 374 . 1 1 49 49 LEU H H 1 9.090 0.005 . 1 . . . . 124 LEU H . 26978 1 375 . 1 1 49 49 LEU HA H 1 5.428 0.000 . 1 . . . . 124 LEU HA . 26978 1 376 . 1 1 49 49 LEU HB2 H 1 1.902 0.000 . 2 . . . . 124 LEU HB2 . 26978 1 377 . 1 1 49 49 LEU HB3 H 1 1.570 0.000 . 2 . . . . 124 LEU HB3 . 26978 1 378 . 1 1 49 49 LEU C C 13 175.790 0.000 . 1 . . . . 124 LEU C . 26978 1 379 . 1 1 49 49 LEU CA C 13 53.363 0.050 . 1 . . . . 124 LEU CA . 26978 1 380 . 1 1 49 49 LEU CB C 13 43.152 0.035 . 1 . . . . 124 LEU CB . 26978 1 381 . 1 1 49 49 LEU N N 15 122.458 0.085 . 1 . . . . 124 LEU N . 26978 1 382 . 1 1 50 50 ILE H H 1 9.596 0.003 . 1 . . . . 125 ILE H . 26978 1 383 . 1 1 50 50 ILE HA H 1 5.043 0.000 . 1 . . . . 125 ILE HA . 26978 1 384 . 1 1 50 50 ILE HB H 1 1.970 0.000 . 1 . . . . 125 ILE HB . 26978 1 385 . 1 1 50 50 ILE C C 13 176.368 0.000 . 1 . . . . 125 ILE C . 26978 1 386 . 1 1 50 50 ILE CA C 13 58.930 0.013 . 1 . . . . 125 ILE CA . 26978 1 387 . 1 1 50 50 ILE CB C 13 38.091 0.061 . 1 . . . . 125 ILE CB . 26978 1 388 . 1 1 50 50 ILE N N 15 124.266 0.026 . 1 . . . . 125 ILE N . 26978 1 389 . 1 1 51 51 ASN H H 1 8.460 0.009 . 1 . . . . 126 ASN H . 26978 1 390 . 1 1 51 51 ASN CA C 13 51.213 0.000 . 1 . . . . 126 ASN CA . 26978 1 391 . 1 1 51 51 ASN CB C 13 36.538 0.000 . 1 . . . . 126 ASN CB . 26978 1 392 . 1 1 51 51 ASN N N 15 126.680 0.129 . 1 . . . . 126 ASN N . 26978 1 393 . 1 1 52 52 PRO HA H 1 4.212 0.000 . 1 . . . . 127 PRO HA . 26978 1 394 . 1 1 52 52 PRO HB2 H 1 2.374 0.000 . 2 . . . . 127 PRO HB2 . 26978 1 395 . 1 1 52 52 PRO HB3 H 1 1.733 0.000 . 2 . . . . 127 PRO HB3 . 26978 1 396 . 1 1 52 52 PRO C C 13 180.431 0.000 . 1 . . . . 127 PRO C . 26978 1 397 . 1 1 52 52 PRO CA C 13 65.130 0.010 . 1 . . . . 127 PRO CA . 26978 1 398 . 1 1 52 52 PRO CB C 13 29.953 0.000 . 1 . . . . 127 PRO CB . 26978 1 399 . 1 1 53 53 GLN H H 1 6.909 0.005 . 1 . . . . 128 GLN H . 26978 1 400 . 1 1 53 53 GLN HA H 1 4.275 0.000 . 1 . . . . 128 GLN HA . 26978 1 401 . 1 1 53 53 GLN HB2 H 1 2.231 0.000 . 2 . . . . 128 GLN HB2 . 26978 1 402 . 1 1 53 53 GLN HB3 H 1 1.991 0.000 . 2 . . . . 128 GLN HB3 . 26978 1 403 . 1 1 53 53 GLN C C 13 176.224 0.000 . 1 . . . . 128 GLN C . 26978 1 404 . 1 1 53 53 GLN CA C 13 56.156 0.007 . 1 . . . . 128 GLN CA . 26978 1 405 . 1 1 53 53 GLN CB C 13 28.440 0.056 . 1 . . . . 128 GLN CB . 26978 1 406 . 1 1 53 53 GLN N N 15 112.990 0.107 . 1 . . . . 128 GLN N . 26978 1 407 . 1 1 54 54 GLY H H 1 8.104 0.001 . 1 . . . . 129 GLY H . 26978 1 408 . 1 1 54 54 GLY HA2 H 1 3.369 0.000 . 2 . . . . 129 GLY HA2 . 26978 1 409 . 1 1 54 54 GLY HA3 H 1 4.097 0.000 . 2 . . . . 129 GLY HA3 . 26978 1 410 . 1 1 54 54 GLY C C 13 173.668 0.000 . 1 . . . . 129 GLY C . 26978 1 411 . 1 1 54 54 GLY CA C 13 45.312 0.005 . 1 . . . . 129 GLY CA . 26978 1 412 . 1 1 54 54 GLY N N 15 108.559 0.015 . 1 . . . . 129 GLY N . 26978 1 413 . 1 1 55 55 LYS H H 1 7.710 0.002 . 1 . . . . 130 LYS H . 26978 1 414 . 1 1 55 55 LYS HA H 1 4.016 0.000 . 1 . . . . 130 LYS HA . 26978 1 415 . 1 1 55 55 LYS HB2 H 1 1.274 0.000 . 1 . . . . 130 LYS HB2 . 26978 1 416 . 1 1 55 55 LYS C C 13 173.318 0.000 . 1 . . . . 130 LYS C . 26978 1 417 . 1 1 55 55 LYS CA C 13 55.411 0.018 . 1 . . . . 130 LYS CA . 26978 1 418 . 1 1 55 55 LYS CB C 13 32.333 0.024 . 1 . . . . 130 LYS CB . 26978 1 419 . 1 1 55 55 LYS N N 15 124.005 0.041 . 1 . . . . 130 LYS N . 26978 1 420 . 1 1 56 56 ALA H H 1 8.096 0.003 . 1 . . . . 131 ALA H . 26978 1 421 . 1 1 56 56 ALA HA H 1 5.079 0.000 . 1 . . . . 131 ALA HA . 26978 1 422 . 1 1 56 56 ALA HB1 H 1 1.240 0.001 . 1 . . . . 131 ALA HB1 . 26978 1 423 . 1 1 56 56 ALA HB2 H 1 1.240 0.001 . 1 . . . . 131 ALA HB2 . 26978 1 424 . 1 1 56 56 ALA HB3 H 1 1.240 0.001 . 1 . . . . 131 ALA HB3 . 26978 1 425 . 1 1 56 56 ALA C C 13 177.177 0.000 . 1 . . . . 131 ALA C . 26978 1 426 . 1 1 56 56 ALA CA C 13 50.529 0.023 . 1 . . . . 131 ALA CA . 26978 1 427 . 1 1 56 56 ALA CB C 13 21.723 0.056 . 1 . . . . 131 ALA CB . 26978 1 428 . 1 1 56 56 ALA N N 15 126.237 0.046 . 1 . . . . 131 ALA N . 26978 1 429 . 1 1 57 57 PHE H H 1 9.668 0.002 . 1 . . . . 132 PHE H . 26978 1 430 . 1 1 57 57 PHE HA H 1 4.941 0.000 . 1 . . . . 132 PHE HA . 26978 1 431 . 1 1 57 57 PHE HB2 H 1 3.161 0.000 . 1 . . . . 132 PHE HB2 . 26978 1 432 . 1 1 57 57 PHE C C 13 176.433 0.000 . 1 . . . . 132 PHE C . 26978 1 433 . 1 1 57 57 PHE CA C 13 57.547 0.005 . 1 . . . . 132 PHE CA . 26978 1 434 . 1 1 57 57 PHE CB C 13 42.980 0.027 . 1 . . . . 132 PHE CB . 26978 1 435 . 1 1 57 57 PHE N N 15 119.828 0.034 . 1 . . . . 132 PHE N . 26978 1 436 . 1 1 58 58 ARG H H 1 9.409 0.004 . 1 . . . . 133 ARG H . 26978 1 437 . 1 1 58 58 ARG HA H 1 4.889 0.000 . 1 . . . . 133 ARG HA . 26978 1 438 . 1 1 58 58 ARG HB2 H 1 1.875 0.000 . 2 . . . . 133 ARG HB2 . 26978 1 439 . 1 1 58 58 ARG HB3 H 1 1.688 0.000 . 2 . . . . 133 ARG HB3 . 26978 1 440 . 1 1 58 58 ARG C C 13 175.399 0.000 . 1 . . . . 133 ARG C . 26978 1 441 . 1 1 58 58 ARG CA C 13 55.143 0.061 . 1 . . . . 133 ARG CA . 26978 1 442 . 1 1 58 58 ARG CB C 13 32.427 0.001 . 1 . . . . 133 ARG CB . 26978 1 443 . 1 1 58 58 ARG N N 15 118.584 0.050 . 1 . . . . 133 ARG N . 26978 1 444 . 1 1 59 59 SER H H 1 7.259 0.003 . 1 . . . . 134 SER H . 26978 1 445 . 1 1 59 59 SER HB2 H 1 3.287 0.000 . 1 . . . . 134 SER HB2 . 26978 1 446 . 1 1 59 59 SER C C 13 173.338 0.000 . 1 . . . . 134 SER C . 26978 1 447 . 1 1 59 59 SER CA C 13 55.956 0.007 . 1 . . . . 134 SER CA . 26978 1 448 . 1 1 59 59 SER CB C 13 66.367 0.048 . 1 . . . . 134 SER CB . 26978 1 449 . 1 1 59 59 SER N N 15 112.576 0.089 . 1 . . . . 134 SER N . 26978 1 450 . 1 1 60 60 LYS H H 1 8.949 0.010 . 1 . . . . 135 LYS H . 26978 1 451 . 1 1 60 60 LYS HA H 1 3.790 0.000 . 1 . . . . 135 LYS HA . 26978 1 452 . 1 1 60 60 LYS HB2 H 1 1.878 0.000 . 1 . . . . 135 LYS HB2 . 26978 1 453 . 1 1 60 60 LYS C C 13 177.722 0.000 . 1 . . . . 135 LYS C . 26978 1 454 . 1 1 60 60 LYS CA C 13 59.370 0.017 . 1 . . . . 135 LYS CA . 26978 1 455 . 1 1 60 60 LYS CB C 13 31.985 0.000 . 1 . . . . 135 LYS CB . 26978 1 456 . 1 1 60 60 LYS N N 15 121.872 0.109 . 1 . . . . 135 LYS N . 26978 1 457 . 1 1 61 61 VAL H H 1 7.701 0.004 . 1 . . . . 136 VAL H . 26978 1 458 . 1 1 61 61 VAL HA H 1 3.659 0.000 . 1 . . . . 136 VAL HA . 26978 1 459 . 1 1 61 61 VAL HB H 1 2.096 0.000 . 1 . . . . 136 VAL HB . 26978 1 460 . 1 1 61 61 VAL C C 13 178.897 0.000 . 1 . . . . 136 VAL C . 26978 1 461 . 1 1 61 61 VAL CA C 13 66.477 0.013 . 1 . . . . 136 VAL CA . 26978 1 462 . 1 1 61 61 VAL CB C 13 31.685 0.058 . 1 . . . . 136 VAL CB . 26978 1 463 . 1 1 61 61 VAL N N 15 118.870 0.087 . 1 . . . . 136 VAL N . 26978 1 464 . 1 1 62 62 GLU H H 1 7.428 0.005 . 1 . . . . 137 GLU H . 26978 1 465 . 1 1 62 62 GLU HA H 1 4.218 0.000 . 1 . . . . 137 GLU HA . 26978 1 466 . 1 1 62 62 GLU HB2 H 1 2.470 0.000 . 2 . . . . 137 GLU HB2 . 26978 1 467 . 1 1 62 62 GLU HB3 H 1 2.396 0.000 . 2 . . . . 137 GLU HB3 . 26978 1 468 . 1 1 62 62 GLU C C 13 180.207 0.000 . 1 . . . . 137 GLU C . 26978 1 469 . 1 1 62 62 GLU CA C 13 59.195 0.007 . 1 . . . . 137 GLU CA . 26978 1 470 . 1 1 62 62 GLU CB C 13 30.881 0.012 . 1 . . . . 137 GLU CB . 26978 1 471 . 1 1 62 62 GLU N N 15 119.850 0.072 . 1 . . . . 137 GLU N . 26978 1 472 . 1 1 63 63 LEU H H 1 7.429 0.004 . 1 . . . . 138 LEU H . 26978 1 473 . 1 1 63 63 LEU HA H 1 3.423 0.000 . 1 . . . . 138 LEU HA . 26978 1 474 . 1 1 63 63 LEU HB2 H 1 1.576 0.000 . 1 . . . . 138 LEU HB2 . 26978 1 475 . 1 1 63 63 LEU C C 13 177.071 0.000 . 1 . . . . 138 LEU C . 26978 1 476 . 1 1 63 63 LEU CA C 13 57.737 0.063 . 1 . . . . 138 LEU CA . 26978 1 477 . 1 1 63 63 LEU CB C 13 42.116 0.089 . 1 . . . . 138 LEU CB . 26978 1 478 . 1 1 63 63 LEU N N 15 120.816 0.075 . 1 . . . . 138 LEU N . 26978 1 479 . 1 1 64 64 ILE H H 1 8.313 0.003 . 1 . . . . 139 ILE H . 26978 1 480 . 1 1 64 64 ILE HA H 1 3.506 0.000 . 1 . . . . 139 ILE HA . 26978 1 481 . 1 1 64 64 ILE HB H 1 1.820 0.000 . 1 . . . . 139 ILE HB . 26978 1 482 . 1 1 64 64 ILE C C 13 178.567 0.000 . 1 . . . . 139 ILE C . 26978 1 483 . 1 1 64 64 ILE CA C 13 66.026 0.042 . 1 . . . . 139 ILE CA . 26978 1 484 . 1 1 64 64 ILE CB C 13 38.542 0.000 . 1 . . . . 139 ILE CB . 26978 1 485 . 1 1 64 64 ILE N N 15 118.787 0.038 . 1 . . . . 139 ILE N . 26978 1 486 . 1 1 65 65 ALA H H 1 7.577 0.002 . 1 . . . . 140 ALA H . 26978 1 487 . 1 1 65 65 ALA HA H 1 4.209 0.000 . 1 . . . . 140 ALA HA . 26978 1 488 . 1 1 65 65 ALA HB1 H 1 1.552 0.000 . 1 . . . . 140 ALA HB1 . 26978 1 489 . 1 1 65 65 ALA HB2 H 1 1.552 0.000 . 1 . . . . 140 ALA HB2 . 26978 1 490 . 1 1 65 65 ALA HB3 H 1 1.552 0.000 . 1 . . . . 140 ALA HB3 . 26978 1 491 . 1 1 65 65 ALA C C 13 180.420 0.000 . 1 . . . . 140 ALA C . 26978 1 492 . 1 1 65 65 ALA CA C 13 54.893 0.023 . 1 . . . . 140 ALA CA . 26978 1 493 . 1 1 65 65 ALA CB C 13 18.061 0.024 . 1 . . . . 140 ALA CB . 26978 1 494 . 1 1 65 65 ALA N N 15 120.149 0.033 . 1 . . . . 140 ALA N . 26978 1 495 . 1 1 66 66 TYR H H 1 7.809 0.007 . 1 . . . . 141 TYR H . 26978 1 496 . 1 1 66 66 TYR HA H 1 4.412 0.000 . 1 . . . . 141 TYR HA . 26978 1 497 . 1 1 66 66 TYR HB2 H 1 3.416 0.000 . 2 . . . . 141 TYR HB2 . 26978 1 498 . 1 1 66 66 TYR HB3 H 1 2.937 0.000 . 2 . . . . 141 TYR HB3 . 26978 1 499 . 1 1 66 66 TYR C C 13 177.039 0.000 . 1 . . . . 141 TYR C . 26978 1 500 . 1 1 66 66 TYR CA C 13 61.506 0.005 . 1 . . . . 141 TYR CA . 26978 1 501 . 1 1 66 66 TYR CB C 13 39.349 0.023 . 1 . . . . 141 TYR CB . 26978 1 502 . 1 1 66 66 TYR N N 15 120.667 0.116 . 1 . . . . 141 TYR N . 26978 1 503 . 1 1 67 67 PHE H H 1 8.908 0.007 . 1 . . . . 142 PHE H . 26978 1 504 . 1 1 67 67 PHE HA H 1 4.466 0.000 . 1 . . . . 142 PHE HA . 26978 1 505 . 1 1 67 67 PHE HB2 H 1 3.209 0.000 . 2 . . . . 142 PHE HB2 . 26978 1 506 . 1 1 67 67 PHE HB3 H 1 3.676 0.000 . 2 . . . . 142 PHE HB3 . 26978 1 507 . 1 1 67 67 PHE C C 13 179.444 0.000 . 1 . . . . 142 PHE C . 26978 1 508 . 1 1 67 67 PHE CA C 13 58.263 0.063 . 1 . . . . 142 PHE CA . 26978 1 509 . 1 1 67 67 PHE CB C 13 36.471 0.014 . 1 . . . . 142 PHE CB . 26978 1 510 . 1 1 67 67 PHE N N 15 118.615 0.051 . 1 . . . . 142 PHE N . 26978 1 511 . 1 1 68 68 GLU H H 1 8.204 0.001 . 1 . . . . 143 GLU H . 26978 1 512 . 1 1 68 68 GLU HA H 1 4.099 0.000 . 1 . . . . 143 GLU HA . 26978 1 513 . 1 1 68 68 GLU HB2 H 1 2.191 0.000 . 2 . . . . 143 GLU HB2 . 26978 1 514 . 1 1 68 68 GLU HB3 H 1 2.097 0.000 . 2 . . . . 143 GLU HB3 . 26978 1 515 . 1 1 68 68 GLU C C 13 180.403 0.000 . 1 . . . . 143 GLU C . 26978 1 516 . 1 1 68 68 GLU CA C 13 59.274 0.002 . 1 . . . . 143 GLU CA . 26978 1 517 . 1 1 68 68 GLU CB C 13 29.378 0.018 . 1 . . . . 143 GLU CB . 26978 1 518 . 1 1 68 68 GLU N N 15 118.414 0.039 . 1 . . . . 143 GLU N . 26978 1 519 . 1 1 69 69 LYS H H 1 7.825 0.005 . 1 . . . . 144 LYS H . 26978 1 520 . 1 1 69 69 LYS HA H 1 4.070 0.000 . 1 . . . . 144 LYS HA . 26978 1 521 . 1 1 69 69 LYS HB2 H 1 2.041 0.000 . 1 . . . . 144 LYS HB2 . 26978 1 522 . 1 1 69 69 LYS C C 13 179.147 0.000 . 1 . . . . 144 LYS C . 26978 1 523 . 1 1 69 69 LYS CA C 13 59.436 0.022 . 1 . . . . 144 LYS CA . 26978 1 524 . 1 1 69 69 LYS CB C 13 32.490 0.049 . 1 . . . . 144 LYS CB . 26978 1 525 . 1 1 69 69 LYS N N 15 121.271 0.088 . 1 . . . . 144 LYS N . 26978 1 526 . 1 1 70 70 VAL H H 1 8.000 0.001 . 1 . . . . 145 VAL H . 26978 1 527 . 1 1 70 70 VAL HA H 1 4.269 0.000 . 1 . . . . 145 VAL HA . 26978 1 528 . 1 1 70 70 VAL HB H 1 2.296 0.000 . 1 . . . . 145 VAL HB . 26978 1 529 . 1 1 70 70 VAL C C 13 177.063 0.000 . 1 . . . . 145 VAL C . 26978 1 530 . 1 1 70 70 VAL CA C 13 61.785 0.031 . 1 . . . . 145 VAL CA . 26978 1 531 . 1 1 70 70 VAL CB C 13 31.698 0.046 . 1 . . . . 145 VAL CB . 26978 1 532 . 1 1 70 70 VAL N N 15 110.187 0.080 . 1 . . . . 145 VAL N . 26978 1 533 . 1 1 71 71 GLY H H 1 7.752 0.001 . 1 . . . . 146 GLY H . 26978 1 534 . 1 1 71 71 GLY HA2 H 1 3.967 0.000 . 2 . . . . 146 GLY HA2 . 26978 1 535 . 1 1 71 71 GLY HA3 H 1 3.856 0.000 . 2 . . . . 146 GLY HA3 . 26978 1 536 . 1 1 71 71 GLY C C 13 174.151 0.000 . 1 . . . . 146 GLY C . 26978 1 537 . 1 1 71 71 GLY CA C 13 46.659 0.015 . 1 . . . . 146 GLY CA . 26978 1 538 . 1 1 71 71 GLY N N 15 112.086 0.029 . 1 . . . . 146 GLY N . 26978 1 539 . 1 1 72 72 ASP H H 1 8.109 0.001 . 1 . . . . 147 ASP H . 26978 1 540 . 1 1 72 72 ASP HA H 1 4.783 0.000 . 1 . . . . 147 ASP HA . 26978 1 541 . 1 1 72 72 ASP HB2 H 1 2.668 0.000 . 2 . . . . 147 ASP HB2 . 26978 1 542 . 1 1 72 72 ASP HB3 H 1 2.425 0.000 . 2 . . . . 147 ASP HB3 . 26978 1 543 . 1 1 72 72 ASP C C 13 176.592 0.000 . 1 . . . . 147 ASP C . 26978 1 544 . 1 1 72 72 ASP CA C 13 53.650 0.058 . 1 . . . . 147 ASP CA . 26978 1 545 . 1 1 72 72 ASP N N 15 120.290 0.037 . 1 . . . . 147 ASP N . 26978 1 546 . 1 1 73 73 THR H H 1 8.390 0.002 . 1 . . . . 148 THR H . 26978 1 547 . 1 1 73 73 THR HA H 1 4.508 0.000 . 1 . . . . 148 THR HA . 26978 1 548 . 1 1 73 73 THR C C 13 175.142 0.000 . 1 . . . . 148 THR C . 26978 1 549 . 1 1 73 73 THR CA C 13 60.823 0.018 . 1 . . . . 148 THR CA . 26978 1 550 . 1 1 73 73 THR CB C 13 68.864 0.018 . 1 . . . . 148 THR CB . 26978 1 551 . 1 1 73 73 THR N N 15 116.416 0.022 . 1 . . . . 148 THR N . 26978 1 552 . 1 1 74 74 SER H H 1 8.619 0.001 . 1 . . . . 149 SER H . 26978 1 553 . 1 1 74 74 SER HA H 1 4.251 0.000 . 1 . . . . 149 SER HA . 26978 1 554 . 1 1 74 74 SER HB2 H 1 3.853 0.000 . 1 . . . . 149 SER HB2 . 26978 1 555 . 1 1 74 74 SER C C 13 174.180 0.000 . 1 . . . . 149 SER C . 26978 1 556 . 1 1 74 74 SER CA C 13 60.371 0.032 . 1 . . . . 149 SER CA . 26978 1 557 . 1 1 74 74 SER CB C 13 64.276 0.012 . 1 . . . . 149 SER CB . 26978 1 558 . 1 1 74 74 SER N N 15 119.050 0.022 . 1 . . . . 149 SER N . 26978 1 559 . 1 1 75 75 LEU H H 1 7.609 0.001 . 1 . . . . 150 LEU H . 26978 1 560 . 1 1 75 75 LEU HA H 1 4.374 0.000 . 1 . . . . 150 LEU HA . 26978 1 561 . 1 1 75 75 LEU HB2 H 1 1.065 0.000 . 2 . . . . 150 LEU HB2 . 26978 1 562 . 1 1 75 75 LEU HB3 H 1 0.940 0.000 . 2 . . . . 150 LEU HB3 . 26978 1 563 . 1 1 75 75 LEU C C 13 174.637 0.000 . 1 . . . . 150 LEU C . 26978 1 564 . 1 1 75 75 LEU CA C 13 53.609 0.029 . 1 . . . . 150 LEU CA . 26978 1 565 . 1 1 75 75 LEU CB C 13 44.001 0.036 . 1 . . . . 150 LEU CB . 26978 1 566 . 1 1 75 75 LEU N N 15 123.177 0.019 . 1 . . . . 150 LEU N . 26978 1 567 . 1 1 76 76 ASP H H 1 8.802 0.001 . 1 . . . . 151 ASP H . 26978 1 568 . 1 1 76 76 ASP CA C 13 50.121 0.000 . 1 . . . . 151 ASP CA . 26978 1 569 . 1 1 76 76 ASP CB C 13 42.366 0.000 . 1 . . . . 151 ASP CB . 26978 1 570 . 1 1 76 76 ASP N N 15 122.904 0.040 . 1 . . . . 151 ASP N . 26978 1 571 . 1 1 77 77 PRO HA H 1 4.313 0.000 . 1 . . . . 152 PRO HA . 26978 1 572 . 1 1 77 77 PRO HB2 H 1 2.173 0.000 . 2 . . . . 152 PRO HB2 . 26978 1 573 . 1 1 77 77 PRO HB3 H 1 1.979 0.000 . 2 . . . . 152 PRO HB3 . 26978 1 574 . 1 1 77 77 PRO C C 13 177.367 0.000 . 1 . . . . 152 PRO C . 26978 1 575 . 1 1 77 77 PRO CA C 13 64.885 0.043 . 1 . . . . 152 PRO CA . 26978 1 576 . 1 1 77 77 PRO CB C 13 32.759 0.039 . 1 . . . . 152 PRO CB . 26978 1 577 . 1 1 78 78 ASN H H 1 8.720 0.002 . 1 . . . . 153 ASN H . 26978 1 578 . 1 1 78 78 ASN HA H 1 4.511 0.000 . 1 . . . . 153 ASN HA . 26978 1 579 . 1 1 78 78 ASN HB2 H 1 2.754 0.000 . 1 . . . . 153 ASN HB2 . 26978 1 580 . 1 1 78 78 ASN C C 13 176.282 0.000 . 1 . . . . 153 ASN C . 26978 1 581 . 1 1 78 78 ASN CA C 13 55.345 0.021 . 1 . . . . 153 ASN CA . 26978 1 582 . 1 1 78 78 ASN CB C 13 38.237 0.025 . 1 . . . . 153 ASN CB . 26978 1 583 . 1 1 78 78 ASN N N 15 114.385 0.011 . 1 . . . . 153 ASN N . 26978 1 584 . 1 1 79 79 ASP H H 1 8.302 0.001 . 1 . . . . 154 ASP H . 26978 1 585 . 1 1 79 79 ASP HA H 1 4.505 0.000 . 1 . . . . 154 ASP HA . 26978 1 586 . 1 1 79 79 ASP HB2 H 1 2.546 0.000 . 1 . . . . 154 ASP HB2 . 26978 1 587 . 1 1 79 79 ASP C C 13 175.059 0.000 . 1 . . . . 154 ASP C . 26978 1 588 . 1 1 79 79 ASP CA C 13 55.183 0.032 . 1 . . . . 154 ASP CA . 26978 1 589 . 1 1 79 79 ASP CB C 13 40.298 0.059 . 1 . . . . 154 ASP CB . 26978 1 590 . 1 1 79 79 ASP N N 15 118.946 0.024 . 1 . . . . 154 ASP N . 26978 1 591 . 1 1 80 80 PHE H H 1 7.147 0.004 . 1 . . . . 155 PHE H . 26978 1 592 . 1 1 80 80 PHE HA H 1 3.975 0.000 . 1 . . . . 155 PHE HA . 26978 1 593 . 1 1 80 80 PHE HB2 H 1 2.172 0.000 . 2 . . . . 155 PHE HB2 . 26978 1 594 . 1 1 80 80 PHE HB3 H 1 2.902 0.000 . 2 . . . . 155 PHE HB3 . 26978 1 595 . 1 1 80 80 PHE C C 13 173.615 0.000 . 1 . . . . 155 PHE C . 26978 1 596 . 1 1 80 80 PHE CA C 13 57.706 0.007 . 1 . . . . 155 PHE CA . 26978 1 597 . 1 1 80 80 PHE CB C 13 39.350 0.054 . 1 . . . . 155 PHE CB . 26978 1 598 . 1 1 80 80 PHE N N 15 119.489 0.027 . 1 . . . . 155 PHE N . 26978 1 599 . 1 1 81 81 ASP H H 1 8.811 0.003 . 1 . . . . 156 ASP H . 26978 1 600 . 1 1 81 81 ASP C C 13 175.986 0.000 . 1 . . . . 156 ASP C . 26978 1 601 . 1 1 81 81 ASP CA C 13 53.625 0.000 . 1 . . . . 156 ASP CA . 26978 1 602 . 1 1 81 81 ASP CB C 13 41.681 0.000 . 1 . . . . 156 ASP CB . 26978 1 603 . 1 1 81 81 ASP N N 15 124.573 0.060 . 1 . . . . 156 ASP N . 26978 1 604 . 1 1 82 82 PHE H H 1 9.396 0.006 . 1 . . . . 157 PHE H . 26978 1 605 . 1 1 82 82 PHE HA H 1 4.399 0.000 . 1 . . . . 157 PHE HA . 26978 1 606 . 1 1 82 82 PHE C C 13 175.272 0.000 . 1 . . . . 157 PHE C . 26978 1 607 . 1 1 82 82 PHE CA C 13 58.712 0.007 . 1 . . . . 157 PHE CA . 26978 1 608 . 1 1 82 82 PHE CB C 13 40.113 0.000 . 1 . . . . 157 PHE CB . 26978 1 609 . 1 1 82 82 PHE N N 15 126.159 0.020 . 1 . . . . 157 PHE N . 26978 1 610 . 1 1 83 83 THR H H 1 8.956 0.005 . 1 . . . . 158 THR H . 26978 1 611 . 1 1 83 83 THR CA C 13 62.402 0.000 . 1 . . . . 158 THR CA . 26978 1 612 . 1 1 83 83 THR CB C 13 70.520 0.000 . 1 . . . . 158 THR CB . 26978 1 613 . 1 1 83 83 THR N N 15 113.406 0.034 . 1 . . . . 158 THR N . 26978 1 614 . 1 1 84 84 VAL C C 13 177.019 0.000 . 1 . . . . 159 VAL C . 26978 1 615 . 1 1 84 84 VAL CA C 13 63.167 0.000 . 1 . . . . 159 VAL CA . 26978 1 616 . 1 1 85 85 THR H H 1 8.248 0.003 . 1 . . . . 160 THR H . 26978 1 617 . 1 1 85 85 THR HA H 1 4.228 0.000 . 1 . . . . 160 THR HA . 26978 1 618 . 1 1 85 85 THR HB H 1 4.068 0.000 . 1 . . . . 160 THR HB . 26978 1 619 . 1 1 85 85 THR C C 13 175.351 0.000 . 1 . . . . 160 THR C . 26978 1 620 . 1 1 85 85 THR CA C 13 62.664 0.021 . 1 . . . . 160 THR CA . 26978 1 621 . 1 1 85 85 THR CB C 13 69.941 0.038 . 1 . . . . 160 THR CB . 26978 1 622 . 1 1 85 85 THR N N 15 123.555 0.013 . 1 . . . . 160 THR N . 26978 1 623 . 1 1 86 86 GLY H H 1 7.331 0.003 . 1 . . . . 161 GLY H . 26978 1 624 . 1 1 86 86 GLY HA2 H 1 4.405 0.000 . 2 . . . . 161 GLY HA2 . 26978 1 625 . 1 1 86 86 GLY HA3 H 1 3.903 0.000 . 2 . . . . 161 GLY HA3 . 26978 1 626 . 1 1 86 86 GLY C C 13 175.148 0.000 . 1 . . . . 161 GLY C . 26978 1 627 . 1 1 86 86 GLY CA C 13 44.286 0.041 . 1 . . . . 161 GLY CA . 26978 1 628 . 1 1 86 86 GLY N N 15 111.277 0.104 . 1 . . . . 161 GLY N . 26978 1 629 . 1 1 87 87 ARG H H 1 9.401 0.008 . 1 . . . . 162 ARG H . 26978 1 630 . 1 1 87 87 ARG HA H 1 4.169 0.000 . 1 . . . . 162 ARG HA . 26978 1 631 . 1 1 87 87 ARG HB2 H 1 1.750 0.000 . 1 . . . . 162 ARG HB2 . 26978 1 632 . 1 1 87 87 ARG C C 13 177.397 0.000 . 1 . . . . 162 ARG C . 26978 1 633 . 1 1 87 87 ARG CA C 13 56.923 0.000 . 1 . . . . 162 ARG CA . 26978 1 634 . 1 1 87 87 ARG CB C 13 30.940 0.040 . 1 . . . . 162 ARG CB . 26978 1 635 . 1 1 87 87 ARG N N 15 124.010 0.067 . 1 . . . . 162 ARG N . 26978 1 636 . 1 1 88 88 GLY H H 1 8.498 0.003 . 1 . . . . 163 GLY H . 26978 1 637 . 1 1 88 88 GLY HA2 H 1 3.902 0.000 . 1 . . . . 163 GLY HA2 . 26978 1 638 . 1 1 88 88 GLY C C 13 173.311 0.000 . 1 . . . . 163 GLY C . 26978 1 639 . 1 1 88 88 GLY CA C 13 45.217 0.008 . 1 . . . . 163 GLY CA . 26978 1 640 . 1 1 88 88 GLY N N 15 110.076 0.095 . 1 . . . . 163 GLY N . 26978 1 641 . 1 1 89 89 SER H H 1 7.794 0.002 . 1 . . . . 164 SER H . 26978 1 642 . 1 1 89 89 SER CA C 13 59.998 0.000 . 1 . . . . 164 SER CA . 26978 1 643 . 1 1 89 89 SER N N 15 121.029 0.010 . 1 . . . . 164 SER N . 26978 1 stop_ save_