data_26545 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26545 _Entry.Title ; Prostate associated gene 4 (PAGE4) phosphorylated ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-20 _Entry.Accession_date 2015-03-20 _Entry.Last_release_date 2016-10-05 _Entry.Original_release_date 2016-10-05 _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 Yanan He . . . . 26545 2 Yihong Chen . . . . 26545 3 Steven Mooney . . . . 26545 4 Krithika Rajagopalan . . . . 26545 5 Ajay Bhargava . . . . 26545 6 Elizabeth Sacho . . . . 26545 7 Keith Weninger . . . . 26545 8 Prakash Kulkarni . . . . 26545 9 John Orban . . . . 26545 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' . 26545 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26545 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 26545 '15N chemical shifts' 88 26545 '1H chemical shifts' 399 26545 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 . . 2016-10-05 . original BMRB . 26545 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26544 'Prostate associated gene 4' 26545 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26545 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26242913 _Citation.Full_citation . _Citation.Title ; Phosphorylation-induced Conformational Ensemble Switching in an Intrinsically Disordered Cancer/Testis Antigen ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 41 _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 25090 _Citation.Page_last 25102 _Citation.Year 2015 _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 Yanan He . . . . 26545 1 2 Yihong Chen . . . . 26545 1 3 Steven Mooney . . . . 26545 1 4 Krithika Rajagopalan . . . . 26545 1 5 Ajay Bhargava . . . . 26545 1 6 Elizabeth Sacho . . . . 26545 1 7 Keith Weninger . . . . 26545 1 8 Philip Bryan . N. . . 26545 1 9 Prakash Kulkarni . . . . 26545 1 10 John Orban . . . . 26545 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26545 _Assembly.ID 1 _Assembly.Name 'Prostate associated gene 4 phosphorylated' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'Prostate associated gene 4 phosphorylated' 1 $entity A . yes native no no . . . 26545 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26545 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prostate_associated_gene_4_phosphorylated _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 ; MSARVRSRSRGRGDGQEAPD VVAFVAPGESQQEEPPTDNQ DIEPGQEREGXPPIEERKVE GDCQEMDLEKTRSERGDGSD VKEKTPPNPKHAKTKEAGDG QP ; _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 102 _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 . MET . 26545 1 2 . SER . 26545 1 3 . ALA . 26545 1 4 . ARG . 26545 1 5 . VAL . 26545 1 6 . ARG . 26545 1 7 . SER . 26545 1 8 . ARG . 26545 1 9 . SER . 26545 1 10 . ARG . 26545 1 11 . GLY . 26545 1 12 . ARG . 26545 1 13 . GLY . 26545 1 14 . ASP . 26545 1 15 . GLY . 26545 1 16 . GLN . 26545 1 17 . GLU . 26545 1 18 . ALA . 26545 1 19 . PRO . 26545 1 20 . ASP . 26545 1 21 . VAL . 26545 1 22 . VAL . 26545 1 23 . ALA . 26545 1 24 . PHE . 26545 1 25 . VAL . 26545 1 26 . ALA . 26545 1 27 . PRO . 26545 1 28 . GLY . 26545 1 29 . GLU . 26545 1 30 . SER . 26545 1 31 . GLN . 26545 1 32 . GLN . 26545 1 33 . GLU . 26545 1 34 . GLU . 26545 1 35 . PRO . 26545 1 36 . PRO . 26545 1 37 . THR . 26545 1 38 . ASP . 26545 1 39 . ASN . 26545 1 40 . GLN . 26545 1 41 . ASP . 26545 1 42 . ILE . 26545 1 43 . GLU . 26545 1 44 . PRO . 26545 1 45 . GLY . 26545 1 46 . GLN . 26545 1 47 . GLU . 26545 1 48 . ARG . 26545 1 49 . GLU . 26545 1 50 . GLY . 26545 1 51 . TPO . 26545 1 52 . PRO . 26545 1 53 . PRO . 26545 1 54 . ILE . 26545 1 55 . GLU . 26545 1 56 . GLU . 26545 1 57 . ARG . 26545 1 58 . LYS . 26545 1 59 . VAL . 26545 1 60 . GLU . 26545 1 61 . GLY . 26545 1 62 . ASP . 26545 1 63 . CYS . 26545 1 64 . GLN . 26545 1 65 . GLU . 26545 1 66 . MET . 26545 1 67 . ASP . 26545 1 68 . LEU . 26545 1 69 . GLU . 26545 1 70 . LYS . 26545 1 71 . THR . 26545 1 72 . ARG . 26545 1 73 . SER . 26545 1 74 . GLU . 26545 1 75 . ARG . 26545 1 76 . GLY . 26545 1 77 . ASP . 26545 1 78 . GLY . 26545 1 79 . SER . 26545 1 80 . ASP . 26545 1 81 . VAL . 26545 1 82 . LYS . 26545 1 83 . GLU . 26545 1 84 . LYS . 26545 1 85 . THR . 26545 1 86 . PRO . 26545 1 87 . PRO . 26545 1 88 . ASN . 26545 1 89 . PRO . 26545 1 90 . LYS . 26545 1 91 . HIS . 26545 1 92 . ALA . 26545 1 93 . LYS . 26545 1 94 . THR . 26545 1 95 . LYS . 26545 1 96 . GLU . 26545 1 97 . ALA . 26545 1 98 . GLY . 26545 1 99 . ASP . 26545 1 100 . GLY . 26545 1 101 . GLN . 26545 1 102 . PRO . 26545 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 26545 1 . SER 2 2 26545 1 . ALA 3 3 26545 1 . ARG 4 4 26545 1 . VAL 5 5 26545 1 . ARG 6 6 26545 1 . SER 7 7 26545 1 . ARG 8 8 26545 1 . SER 9 9 26545 1 . ARG 10 10 26545 1 . GLY 11 11 26545 1 . ARG 12 12 26545 1 . GLY 13 13 26545 1 . ASP 14 14 26545 1 . GLY 15 15 26545 1 . GLN 16 16 26545 1 . GLU 17 17 26545 1 . ALA 18 18 26545 1 . PRO 19 19 26545 1 . ASP 20 20 26545 1 . VAL 21 21 26545 1 . VAL 22 22 26545 1 . ALA 23 23 26545 1 . PHE 24 24 26545 1 . VAL 25 25 26545 1 . ALA 26 26 26545 1 . PRO 27 27 26545 1 . GLY 28 28 26545 1 . GLU 29 29 26545 1 . SER 30 30 26545 1 . GLN 31 31 26545 1 . GLN 32 32 26545 1 . GLU 33 33 26545 1 . GLU 34 34 26545 1 . PRO 35 35 26545 1 . PRO 36 36 26545 1 . THR 37 37 26545 1 . ASP 38 38 26545 1 . ASN 39 39 26545 1 . GLN 40 40 26545 1 . ASP 41 41 26545 1 . ILE 42 42 26545 1 . GLU 43 43 26545 1 . PRO 44 44 26545 1 . GLY 45 45 26545 1 . GLN 46 46 26545 1 . GLU 47 47 26545 1 . ARG 48 48 26545 1 . GLU 49 49 26545 1 . GLY 50 50 26545 1 . TPO 51 51 26545 1 . PRO 52 52 26545 1 . PRO 53 53 26545 1 . ILE 54 54 26545 1 . GLU 55 55 26545 1 . GLU 56 56 26545 1 . ARG 57 57 26545 1 . LYS 58 58 26545 1 . VAL 59 59 26545 1 . GLU 60 60 26545 1 . GLY 61 61 26545 1 . ASP 62 62 26545 1 . CYS 63 63 26545 1 . GLN 64 64 26545 1 . GLU 65 65 26545 1 . MET 66 66 26545 1 . ASP 67 67 26545 1 . LEU 68 68 26545 1 . GLU 69 69 26545 1 . LYS 70 70 26545 1 . THR 71 71 26545 1 . ARG 72 72 26545 1 . SER 73 73 26545 1 . GLU 74 74 26545 1 . ARG 75 75 26545 1 . GLY 76 76 26545 1 . ASP 77 77 26545 1 . GLY 78 78 26545 1 . SER 79 79 26545 1 . ASP 80 80 26545 1 . VAL 81 81 26545 1 . LYS 82 82 26545 1 . GLU 83 83 26545 1 . LYS 84 84 26545 1 . THR 85 85 26545 1 . PRO 86 86 26545 1 . PRO 87 87 26545 1 . ASN 88 88 26545 1 . PRO 89 89 26545 1 . LYS 90 90 26545 1 . HIS 91 91 26545 1 . ALA 92 92 26545 1 . LYS 93 93 26545 1 . THR 94 94 26545 1 . LYS 95 95 26545 1 . GLU 96 96 26545 1 . ALA 97 97 26545 1 . GLY 98 98 26545 1 . ASP 99 99 26545 1 . GLY 100 100 26545 1 . GLN 101 101 26545 1 . PRO 102 102 26545 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 26545 _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 $entity . 9606 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26545 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 26545 _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 $entity . 'bacterial over-expression' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 26545 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 26545 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _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 T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _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 THR _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 PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _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 1FMO _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 CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 26545 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 26545 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26545 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 26545 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 26545 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 26545 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 26545 TPO 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 '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26545 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 26545 TPO 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 N N N N . N . . N 0 . . . 1 no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 26545 TPO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 26545 TPO CB CB CB CB . C . . R 0 . . . 1 no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 26545 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 26545 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 26545 TPO P P P P . P . . N 0 . . . 1 no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 26545 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 26545 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 26545 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 26545 TPO C C C C . C . . N 0 . . . 1 no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 26545 TPO O O O O . O . . N 0 . . . 1 no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 26545 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 26545 TPO H H H H . H . . N 0 . . . 1 no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 26545 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 26545 TPO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 26545 TPO HB HB HB HB . H . . N 0 . . . 1 no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 26545 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 26545 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 26545 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 26545 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 26545 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 26545 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 26545 TPO 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 . SING N CA no N 1 . 26545 TPO 2 . SING N H no N 2 . 26545 TPO 3 . SING N H2 no N 3 . 26545 TPO 4 . SING CA CB no N 4 . 26545 TPO 5 . SING CA C no N 5 . 26545 TPO 6 . SING CA HA no N 6 . 26545 TPO 7 . SING CB CG2 no N 7 . 26545 TPO 8 . SING CB OG1 no N 8 . 26545 TPO 9 . SING CB HB no N 9 . 26545 TPO 10 . SING CG2 HG21 no N 10 . 26545 TPO 11 . SING CG2 HG22 no N 11 . 26545 TPO 12 . SING CG2 HG23 no N 12 . 26545 TPO 13 . SING OG1 P no N 13 . 26545 TPO 14 . DOUB P O1P no N 14 . 26545 TPO 15 . SING P O2P no N 15 . 26545 TPO 16 . SING P O3P no N 16 . 26545 TPO 17 . SING O2P HOP2 no N 17 . 26545 TPO 18 . SING O3P HOP3 no N 18 . 26545 TPO 19 . DOUB C O no N 19 . 26545 TPO 20 . SING C OXT no N 20 . 26545 TPO 21 . SING OXT HXT no N 21 . 26545 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26545 _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 200 . . mM . . . . 26545 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 26545 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26545 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26545 1 5 NaN3 'natural abundance' . . . . . . 10 . . mM . . . . 26545 1 6 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 26545 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 26545 _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' 100 . mM 26545 1 pH 7 . pH 26545 1 pressure 1 . atm 26545 1 temperature 273 . K 26545 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26545 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26545 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26545 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26545 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26545 _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 DMX . 600 . . . 26545 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 26545 _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 . . . . . . . . . . . . . . . . 26545 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 9 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 11 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 12 15NNOE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 1 13 CLEANEX-PM no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26545 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 26545 _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 . . . . . 26545 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26545 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26545 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 26545 _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' . . . 26545 1 2 '3D CBCA(CO)NH' . . . 26545 1 3 '3D HNCACB' . . . 26545 1 6 '3D H(CCO)NH' . . . 26545 1 7 '3D C(CO)NH' . . . 26545 1 11 '3D HNCANNH' . . . 26545 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26545 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 SER C C 13 173.935 0 . 1 . . . . 2 SER C . 26545 1 2 . 1 1 2 2 SER CA C 13 58.255 0.007 . 1 . . . . 2 SER CA . 26545 1 3 . 1 1 2 2 SER CB C 13 63.951 0.157 . 1 . . . . 2 SER CB . 26545 1 4 . 1 1 3 3 ALA H H 1 8.523 0.008 . 1 . . . . 3 ALA HN . 26545 1 5 . 1 1 3 3 ALA HA H 1 4.114 0.012 . 1 . . . . 3 ALA HA . 26545 1 6 . 1 1 3 3 ALA HB1 H 1 1.222 0 . 1 . . . . 3 ALA HB . 26545 1 7 . 1 1 3 3 ALA HB2 H 1 1.222 0 . 1 . . . . 3 ALA HB . 26545 1 8 . 1 1 3 3 ALA HB3 H 1 1.222 0 . 1 . . . . 3 ALA HB . 26545 1 9 . 1 1 3 3 ALA C C 13 177.698 0 . 1 . . . . 3 ALA C . 26545 1 10 . 1 1 3 3 ALA CA C 13 52.598 0.033 . 1 . . . . 3 ALA CA . 26545 1 11 . 1 1 3 3 ALA CB C 13 18.987 0.067 . 1 . . . . 3 ALA CB . 26545 1 12 . 1 1 3 3 ALA N N 15 126.502 0.027 . 1 . . . . 3 ALA N . 26545 1 13 . 1 1 4 4 ARG H H 1 8.269 0.005 . 1 . . . . 4 ARG HN . 26545 1 14 . 1 1 4 4 ARG HA H 1 4.104 0.007 . 1 . . . . 4 ARG HA . 26545 1 15 . 1 1 4 4 ARG HB2 H 1 1.583 0 . 1 . . . . 4 ARG HB2 . 26545 1 16 . 1 1 4 4 ARG HB3 H 1 1.583 0 . 1 . . . . 4 ARG HB3 . 26545 1 17 . 1 1 4 4 ARG C C 13 176.47 0 . 1 . . . . 4 ARG C . 26545 1 18 . 1 1 4 4 ARG CA C 13 56.316 0.052 . 1 . . . . 4 ARG CA . 26545 1 19 . 1 1 4 4 ARG CB C 13 30.626 0.08 . 1 . . . . 4 ARG CB . 26545 1 20 . 1 1 4 4 ARG CG C 13 27.366 0 . 1 . . . . 4 ARG CG . 26545 1 21 . 1 1 4 4 ARG CD C 13 43.404 0 . 1 . . . . 4 ARG CD . 26545 1 22 . 1 1 4 4 ARG N N 15 120.707 0.057 . 1 . . . . 4 ARG N . 26545 1 23 . 1 1 5 5 VAL H H 1 8.12 0.004 . 1 . . . . 5 VAL HN . 26545 1 24 . 1 1 5 5 VAL HA H 1 3.877 0.001 . 1 . . . . 5 VAL HA . 26545 1 25 . 1 1 5 5 VAL HB H 1 1.863 0 . 1 . . . . 5 VAL HB . 26545 1 26 . 1 1 5 5 VAL HG11 H 1 0.758 0 . 2 . . . . 5 VAL HG1 . 26545 1 27 . 1 1 5 5 VAL HG12 H 1 0.758 0 . 2 . . . . 5 VAL HG1 . 26545 1 28 . 1 1 5 5 VAL HG13 H 1 0.758 0 . 2 . . . . 5 VAL HG1 . 26545 1 29 . 1 1 5 5 VAL C C 13 176.353 0 . 1 . . . . 5 VAL C . 26545 1 30 . 1 1 5 5 VAL CA C 13 62.319 0.152 . 1 . . . . 5 VAL CA . 26545 1 31 . 1 1 5 5 VAL CB C 13 32.534 0.103 . 1 . . . . 5 VAL CB . 26545 1 32 . 1 1 5 5 VAL CG1 C 13 21.108 0 . 1 . . . . 5 VAL CG1 . 26545 1 33 . 1 1 5 5 VAL N N 15 122.436 0.036 . 1 . . . . 5 VAL N . 26545 1 34 . 1 1 6 6 ARG H H 1 8.432 0.004 . 1 . . . . 6 ARG HN . 26545 1 35 . 1 1 6 6 ARG HA H 1 4.162 0.019 . 1 . . . . 6 ARG HA . 26545 1 36 . 1 1 6 6 ARG HB2 H 1 1.629 0 . 1 . . . . 6 ARG HB2 . 26545 1 37 . 1 1 6 6 ARG HB3 H 1 1.629 0 . 1 . . . . 6 ARG HB3 . 26545 1 38 . 1 1 6 6 ARG C C 13 176.459 0 . 1 . . . . 6 ARG C . 26545 1 39 . 1 1 6 6 ARG CA C 13 56.124 0.061 . 1 . . . . 6 ARG CA . 26545 1 40 . 1 1 6 6 ARG CB C 13 30.626 0.118 . 1 . . . . 6 ARG CB . 26545 1 41 . 1 1 6 6 ARG CG C 13 27.406 0 . 1 . . . . 6 ARG CG . 26545 1 42 . 1 1 6 6 ARG CD C 13 43.209 0 . 1 . . . . 6 ARG CD . 26545 1 43 . 1 1 6 6 ARG N N 15 125.507 0.023 . 1 . . . . 6 ARG N . 26545 1 44 . 1 1 7 7 SER H H 1 8.41 0.003 . 1 . . . . 7 SER HN . 26545 1 45 . 1 1 7 7 SER HA H 1 4.171 0.058 . 1 . . . . 7 SER HA . 26545 1 46 . 1 1 7 7 SER HB2 H 1 3.673 0 . 1 . . . . 7 SER HB2 . 26545 1 47 . 1 1 7 7 SER HB3 H 1 3.673 0 . 1 . . . . 7 SER HB3 . 26545 1 48 . 1 1 7 7 SER C C 13 174.741 0 . 1 . . . . 7 SER C . 26545 1 49 . 1 1 7 7 SER CA C 13 58.556 0.025 . 1 . . . . 7 SER CA . 26545 1 50 . 1 1 7 7 SER CB C 13 63.616 0 . 1 . . . . 7 SER CB . 26545 1 51 . 1 1 7 7 SER N N 15 117.708 0.026 . 1 . . . . 7 SER N . 26545 1 52 . 1 1 8 8 ARG H H 1 8.454 0.008 . 1 . . . . 8 ARG HN . 26545 1 53 . 1 1 8 8 ARG HA H 1 4.183 0.021 . 1 . . . . 8 ARG HA . 26545 1 54 . 1 1 8 8 ARG HB2 H 1 1.893 0 . 1 . . . . 8 ARG HB2 . 26545 1 55 . 1 1 8 8 ARG HB3 H 1 1.893 0 . 1 . . . . 8 ARG HB3 . 26545 1 56 . 1 1 8 8 ARG C C 13 176.555 0 . 1 . . . . 8 ARG C . 26545 1 57 . 1 1 8 8 ARG CA C 13 56.458 0 . 1 . . . . 8 ARG CA . 26545 1 58 . 1 1 8 8 ARG CB C 13 30.519 0.14 . 1 . . . . 8 ARG CB . 26545 1 59 . 1 1 8 8 ARG CG C 13 27.406 0 . 1 . . . . 8 ARG CG . 26545 1 60 . 1 1 8 8 ARG CD C 13 43.326 0 . 1 . . . . 8 ARG CD . 26545 1 61 . 1 1 8 8 ARG N N 15 123.334 0.034 . 1 . . . . 8 ARG N . 26545 1 62 . 1 1 9 9 SER H H 1 8.337 0.006 . 1 . . . . 9 SER HN . 26545 1 63 . 1 1 9 9 SER HA H 1 4.216 0.045 . 1 . . . . 9 SER HA . 26545 1 64 . 1 1 9 9 SER HB2 H 1 3.663 0 . 1 . . . . 9 SER HB2 . 26545 1 65 . 1 1 9 9 SER HB3 H 1 3.663 0 . 1 . . . . 9 SER HB3 . 26545 1 66 . 1 1 9 9 SER C C 13 174.659 0 . 1 . . . . 9 SER C . 26545 1 67 . 1 1 9 9 SER CA C 13 58.485 0.077 . 1 . . . . 9 SER CA . 26545 1 68 . 1 1 9 9 SER CB C 13 63.653 0.18 . 1 . . . . 9 SER CB . 26545 1 69 . 1 1 9 9 SER N N 15 117.132 0.044 . 1 . . . . 9 SER N . 26545 1 70 . 1 1 10 10 ARG H H 1 8.4 0.005 . 1 . . . . 10 ARG HN . 26545 1 71 . 1 1 10 10 ARG HA H 1 4.183 0.021 . 1 . . . . 10 ARG HA . 26545 1 72 . 1 1 10 10 ARG HB2 H 1 1.697 0 . 1 . . . . 10 ARG HB2 . 26545 1 73 . 1 1 10 10 ARG HB3 H 1 1.697 0 . 1 . . . . 10 ARG HB3 . 26545 1 74 . 1 1 10 10 ARG HG2 H 1 1.521 0 . 1 . . . . 10 ARG HG2 . 26545 1 75 . 1 1 10 10 ARG HG3 H 1 1.521 0 . 1 . . . . 10 ARG HG3 . 26545 1 76 . 1 1 10 10 ARG C C 13 176.848 0 . 1 . . . . 10 ARG C . 26545 1 77 . 1 1 10 10 ARG CA C 13 56.476 0.052 . 1 . . . . 10 ARG CA . 26545 1 78 . 1 1 10 10 ARG CB C 13 30.358 0.383 . 1 . . . . 10 ARG CB . 26545 1 79 . 1 1 10 10 ARG CG C 13 27.249 0 . 1 . . . . 10 ARG CG . 26545 1 80 . 1 1 10 10 ARG CD C 13 43.209 0 . 1 . . . . 10 ARG CD . 26545 1 81 . 1 1 10 10 ARG N N 15 123.155 0.009 . 1 . . . . 10 ARG N . 26545 1 82 . 1 1 11 11 GLY H H 1 8.427 0.004 . 1 . . . . 11 GLY HN . 26545 1 83 . 1 1 11 11 GLY HA2 H 1 3.789 0 . 1 . . . . 11 GLY HA2 . 26545 1 84 . 1 1 11 11 GLY HA3 H 1 3.789 0 . 1 . . . . 11 GLY HA3 . 26545 1 85 . 1 1 11 11 GLY C C 13 174.146 0 . 1 . . . . 11 GLY C . 26545 1 86 . 1 1 11 11 GLY CA C 13 45.162 0.025 . 1 . . . . 11 GLY CA . 26545 1 87 . 1 1 11 11 GLY N N 15 110.006 0.066 . 1 . . . . 11 GLY N . 26545 1 88 . 1 1 12 12 ARG H H 1 8.293 0.005 . 1 . . . . 12 ARG HN . 26545 1 89 . 1 1 12 12 ARG HA H 1 4.137 0.015 . 1 . . . . 12 ARG HA . 26545 1 90 . 1 1 12 12 ARG HB2 H 1 1.687 0 . 1 . . . . 12 ARG HB2 . 26545 1 91 . 1 1 12 12 ARG HB3 H 1 1.687 0 . 1 . . . . 12 ARG HB3 . 26545 1 92 . 1 1 12 12 ARG HG2 H 1 1.521 0 . 1 . . . . 12 ARG HG2 . 26545 1 93 . 1 1 12 12 ARG HG3 H 1 1.521 0 . 1 . . . . 12 ARG HG3 . 26545 1 94 . 1 1 12 12 ARG C C 13 177.179 0 . 1 . . . . 12 ARG C . 26545 1 95 . 1 1 12 12 ARG CA C 13 56.397 0.004 . 1 . . . . 12 ARG CA . 26545 1 96 . 1 1 12 12 ARG CB C 13 30.655 0.042 . 1 . . . . 12 ARG CB . 26545 1 97 . 1 1 12 12 ARG CG C 13 27.327 0 . 1 . . . . 12 ARG CG . 26545 1 98 . 1 1 12 12 ARG CD C 13 43.052 0 . 1 . . . . 12 ARG CD . 26545 1 99 . 1 1 12 12 ARG N N 15 120.679 0.071 . 1 . . . . 12 ARG N . 26545 1 100 . 1 1 13 13 GLY H H 1 8.479 0.013 . 1 . . . . 13 GLY HN . 26545 1 101 . 1 1 13 13 GLY HA2 H 1 3.79 0 . 1 . . . . 13 GLY HA2 . 26545 1 102 . 1 1 13 13 GLY HA3 H 1 3.79 0 . 1 . . . . 13 GLY HA3 . 26545 1 103 . 1 1 13 13 GLY C C 13 174.124 0 . 1 . . . . 13 GLY C . 26545 1 104 . 1 1 13 13 GLY CA C 13 45.245 0.014 . 1 . . . . 13 GLY CA . 26545 1 105 . 1 1 13 13 GLY N N 15 110 0.048 . 1 . . . . 13 GLY N . 26545 1 106 . 1 1 14 14 ASP H H 1 8.136 0.008 . 1 . . . . 14 ASP HN . 26545 1 107 . 1 1 14 14 ASP HA H 1 4.457 0.002 . 1 . . . . 14 ASP HA . 26545 1 108 . 1 1 14 14 ASP HB2 H 1 2.528 0 . 1 . . . . 14 ASP HB2 . 26545 1 109 . 1 1 14 14 ASP HB3 H 1 2.528 0 . 1 . . . . 14 ASP HB3 . 26545 1 110 . 1 1 14 14 ASP C C 13 177.044 0 . 1 . . . . 14 ASP C . 26545 1 111 . 1 1 14 14 ASP CA C 13 54.27 0.108 . 1 . . . . 14 ASP CA . 26545 1 112 . 1 1 14 14 ASP CB C 13 41.009 0.04 . 1 . . . . 14 ASP CB . 26545 1 113 . 1 1 14 14 ASP N N 15 120.071 0.026 . 1 . . . . 14 ASP N . 26545 1 114 . 1 1 15 15 GLY H H 1 8.412 0.011 . 1 . . . . 15 GLY HN . 26545 1 115 . 1 1 15 15 GLY HA2 H 1 3.775 0 . 1 . . . . 15 GLY HA2 . 26545 1 116 . 1 1 15 15 GLY HA3 H 1 3.775 0 . 1 . . . . 15 GLY HA3 . 26545 1 117 . 1 1 15 15 GLY C C 13 174.326 0 . 1 . . . . 15 GLY C . 26545 1 118 . 1 1 15 15 GLY CA C 13 45.32 0.011 . 1 . . . . 15 GLY CA . 26545 1 119 . 1 1 15 15 GLY N N 15 109.386 0.043 . 1 . . . . 15 GLY N . 26545 1 120 . 1 1 16 16 GLN H H 1 8.095 0.004 . 1 . . . . 16 GLN HN . 26545 1 121 . 1 1 16 16 GLN HA H 1 4.162 0.01 . 1 . . . . 16 GLN HA . 26545 1 122 . 1 1 16 16 GLN HB2 H 1 1.903 0 . 1 . . . . 16 GLN HB2 . 26545 1 123 . 1 1 16 16 GLN HB3 H 1 1.903 0 . 1 . . . . 16 GLN HB3 . 26545 1 124 . 1 1 16 16 GLN C C 13 175.982 0 . 1 . . . . 16 GLN C . 26545 1 125 . 1 1 16 16 GLN CA C 13 55.873 0.207 . 1 . . . . 16 GLN CA . 26545 1 126 . 1 1 16 16 GLN CB C 13 29.433 0.03 . 1 . . . . 16 GLN CB . 26545 1 127 . 1 1 16 16 GLN CG C 13 33.899 0 . 1 . . . . 16 GLN CG . 26545 1 128 . 1 1 16 16 GLN N N 15 119.457 0.124 . 1 . . . . 16 GLN N . 26545 1 129 . 1 1 17 17 GLU H H 1 8.443 0.009 . 1 . . . . 17 GLU HN . 26545 1 130 . 1 1 17 17 GLU HA H 1 4.082 0.007 . 1 . . . . 17 GLU HA . 26545 1 131 . 1 1 17 17 GLU HB2 H 1 1.785 0 . 1 . . . . 17 GLU HB2 . 26545 1 132 . 1 1 17 17 GLU HB3 H 1 1.785 0 . 1 . . . . 17 GLU HB3 . 26545 1 133 . 1 1 17 17 GLU C C 13 175.87 0 . 1 . . . . 17 GLU C . 26545 1 134 . 1 1 17 17 GLU CA C 13 56.289 0.104 . 1 . . . . 17 GLU CA . 26545 1 135 . 1 1 17 17 GLU CB C 13 30.105 0.065 . 1 . . . . 17 GLU CB . 26545 1 136 . 1 1 17 17 GLU CG C 13 36.559 0 . 1 . . . . 17 GLU CG . 26545 1 137 . 1 1 17 17 GLU N N 15 122.24 0.149 . 1 . . . . 17 GLU N . 26545 1 138 . 1 1 18 18 ALA H H 1 8.335 0.007 . 1 . . . . 18 ALA HN . 26545 1 139 . 1 1 18 18 ALA HA H 1 4.417 0 . 1 . . . . 18 ALA HA . 26545 1 140 . 1 1 18 18 ALA CA C 13 50.441 0 . 1 . . . . 18 ALA CA . 26545 1 141 . 1 1 18 18 ALA CB C 13 18.136 0 . 1 . . . . 18 ALA CB . 26545 1 142 . 1 1 18 18 ALA N N 15 126.376 0.066 . 1 . . . . 18 ALA N . 26545 1 143 . 1 1 19 19 PRO HA H 1 4.21 0 . 1 . . . . 19 PRO HA . 26545 1 144 . 1 1 19 19 PRO HB2 H 1 2.059 0 . 1 . . . . 19 PRO HB2 . 26545 1 145 . 1 1 19 19 PRO HB3 H 1 2.059 0 . 1 . . . . 19 PRO HB3 . 26545 1 146 . 1 1 19 19 PRO HG2 H 1 1.727 0 . 1 . . . . 19 PRO HG2 . 26545 1 147 . 1 1 19 19 PRO HG3 H 1 1.727 0 . 1 . . . . 19 PRO HG3 . 26545 1 148 . 1 1 19 19 PRO HD2 H 1 3.761 0 . 1 . . . . 19 PRO HD2 . 26545 1 149 . 1 1 19 19 PRO HD3 H 1 3.761 0 . 1 . . . . 19 PRO HD3 . 26545 1 150 . 1 1 19 19 PRO C C 13 176.582 0 . 1 . . . . 19 PRO C . 26545 1 151 . 1 1 19 19 PRO CA C 13 62.852 0.105 . 1 . . . . 19 PRO CA . 26545 1 152 . 1 1 19 19 PRO CB C 13 31.887 0.022 . 1 . . . . 19 PRO CB . 26545 1 153 . 1 1 19 19 PRO CG C 13 27.288 0 . 1 . . . . 19 PRO CG . 26545 1 154 . 1 1 19 19 PRO CD C 13 50.484 0 . 1 . . . . 19 PRO CD . 26545 1 155 . 1 1 20 20 ASP H H 1 8.31 0.002 . 1 . . . . 20 ASP HN . 26545 1 156 . 1 1 20 20 ASP HA H 1 4.348 0 . 1 . . . . 20 ASP HA . 26545 1 157 . 1 1 20 20 ASP HB2 H 1 2.411 0 . 1 . . . . 20 ASP HB2 . 26545 1 158 . 1 1 20 20 ASP HB3 H 1 2.411 0 . 1 . . . . 20 ASP HB3 . 26545 1 159 . 1 1 20 20 ASP C C 13 176.127 0 . 1 . . . . 20 ASP C . 26545 1 160 . 1 1 20 20 ASP CA C 13 54.338 0.037 . 1 . . . . 20 ASP CA . 26545 1 161 . 1 1 20 20 ASP CB C 13 40.734 0.065 . 1 . . . . 20 ASP CB . 26545 1 162 . 1 1 20 20 ASP N N 15 120.067 0.086 . 1 . . . . 20 ASP N . 26545 1 163 . 1 1 21 21 VAL H H 1 7.933 0.009 . 1 . . . . 21 VAL HN . 26545 1 164 . 1 1 21 21 VAL HA H 1 3.914 0.002 . 1 . . . . 21 VAL HA . 26545 1 165 . 1 1 21 21 VAL HB H 1 1.863 0 . 1 . . . . 21 VAL HB . 26545 1 166 . 1 1 21 21 VAL HG11 H 1 0.749 0 . 2 . . . . 21 VAL HG1 . 26545 1 167 . 1 1 21 21 VAL HG12 H 1 0.749 0 . 2 . . . . 21 VAL HG1 . 26545 1 168 . 1 1 21 21 VAL HG13 H 1 0.749 0 . 2 . . . . 21 VAL HG1 . 26545 1 169 . 1 1 21 21 VAL C C 13 176.064 0 . 1 . . . . 21 VAL C . 26545 1 170 . 1 1 21 21 VAL CA C 13 62.269 0.012 . 1 . . . . 21 VAL CA . 26545 1 171 . 1 1 21 21 VAL CB C 13 32.666 0.062 . 1 . . . . 21 VAL CB . 26545 1 172 . 1 1 21 21 VAL CG1 C 13 21.069 0 . 1 . . . . 21 VAL CG1 . 26545 1 173 . 1 1 21 21 VAL N N 15 120.522 0.042 . 1 . . . . 21 VAL N . 26545 1 174 . 1 1 22 22 VAL H H 1 8.117 0.002 . 1 . . . . 22 VAL HN . 26545 1 175 . 1 1 22 22 VAL HA H 1 3.876 0.008 . 1 . . . . 22 VAL HA . 26545 1 176 . 1 1 22 22 VAL HB H 1 1.834 0 . 1 . . . . 22 VAL HB . 26545 1 177 . 1 1 22 22 VAL HG11 H 1 0.71 0 . 2 . . . . 22 VAL HG1 . 26545 1 178 . 1 1 22 22 VAL HG12 H 1 0.71 0 . 2 . . . . 22 VAL HG1 . 26545 1 179 . 1 1 22 22 VAL HG13 H 1 0.71 0 . 2 . . . . 22 VAL HG1 . 26545 1 180 . 1 1 22 22 VAL C C 13 175.619 0 . 1 . . . . 22 VAL C . 26545 1 181 . 1 1 22 22 VAL CA C 13 62.164 0.044 . 1 . . . . 22 VAL CA . 26545 1 182 . 1 1 22 22 VAL CB C 13 32.545 0.111 . 1 . . . . 22 VAL CB . 26545 1 183 . 1 1 22 22 VAL CG1 C 13 21.069 0 . 1 . . . . 22 VAL CG1 . 26545 1 184 . 1 1 22 22 VAL N N 15 124.773 0.031 . 1 . . . . 22 VAL N . 26545 1 185 . 1 1 23 23 ALA H H 1 8.226 0.005 . 1 . . . . 23 ALA HN . 26545 1 186 . 1 1 23 23 ALA HA H 1 4.098 0.005 . 1 . . . . 23 ALA HA . 26545 1 187 . 1 1 23 23 ALA HB1 H 1 1.15 0 . 1 . . . . 23 ALA HB . 26545 1 188 . 1 1 23 23 ALA HB2 H 1 1.15 0 . 1 . . . . 23 ALA HB . 26545 1 189 . 1 1 23 23 ALA HB3 H 1 1.15 0 . 1 . . . . 23 ALA HB . 26545 1 190 . 1 1 23 23 ALA C C 13 176.975 0 . 1 . . . . 23 ALA C . 26545 1 191 . 1 1 23 23 ALA CA C 13 52.134 0.069 . 1 . . . . 23 ALA CA . 26545 1 192 . 1 1 23 23 ALA CB C 13 19.172 0.032 . 1 . . . . 23 ALA CB . 26545 1 193 . 1 1 23 23 ALA N N 15 128.149 0.035 . 1 . . . . 23 ALA N . 26545 1 194 . 1 1 24 24 PHE H H 1 8.147 0.008 . 1 . . . . 24 PHE HN . 26545 1 195 . 1 1 24 24 PHE HA H 1 4.358 0.009 . 1 . . . . 24 PHE HA . 26545 1 196 . 1 1 24 24 PHE HB2 H 1 2.851 0 . 1 . . . . 24 PHE HB2 . 26545 1 197 . 1 1 24 24 PHE HB3 H 1 2.851 0 . 1 . . . . 24 PHE HB3 . 26545 1 198 . 1 1 24 24 PHE C C 13 175.023 0 . 1 . . . . 24 PHE C . 26545 1 199 . 1 1 24 24 PHE CA C 13 57.841 0.053 . 1 . . . . 24 PHE CA . 26545 1 200 . 1 1 24 24 PHE CB C 13 39.738 0.074 . 1 . . . . 24 PHE CB . 26545 1 201 . 1 1 24 24 PHE N N 15 120.821 0.028 . 1 . . . . 24 PHE N . 26545 1 202 . 1 1 25 25 VAL H H 1 7.806 0.003 . 1 . . . . 25 VAL HN . 26545 1 203 . 1 1 25 25 VAL HA H 1 3.768 0.006 . 1 . . . . 25 VAL HA . 26545 1 204 . 1 1 25 25 VAL HB H 1 1.666 0 . 1 . . . . 25 VAL HB . 26545 1 205 . 1 1 25 25 VAL HG11 H 1 0.622 0 . 2 . . . . 25 VAL HG1 . 26545 1 206 . 1 1 25 25 VAL HG12 H 1 0.622 0 . 2 . . . . 25 VAL HG1 . 26545 1 207 . 1 1 25 25 VAL HG13 H 1 0.622 0 . 2 . . . . 25 VAL HG1 . 26545 1 208 . 1 1 25 25 VAL C C 13 174.55 0 . 1 . . . . 25 VAL C . 26545 1 209 . 1 1 25 25 VAL CA C 13 61.303 0.07 . 1 . . . . 25 VAL CA . 26545 1 210 . 1 1 25 25 VAL CB C 13 33.062 0.064 . 1 . . . . 25 VAL CB . 26545 1 211 . 1 1 25 25 VAL CG1 C 13 20.912 0 . 1 . . . . 25 VAL CG1 . 26545 1 212 . 1 1 25 25 VAL N N 15 125.282 0.038 . 1 . . . . 25 VAL N . 26545 1 213 . 1 1 26 26 ALA H H 1 8.307 0.003 . 1 . . . . 26 ALA HN . 26545 1 214 . 1 1 26 26 ALA HA H 1 4.203 0 . 1 . . . . 26 ALA HA . 26545 1 215 . 1 1 26 26 ALA CA C 13 50.367 0 . 1 . . . . 26 ALA CA . 26545 1 216 . 1 1 26 26 ALA CB C 13 17.704 0 . 1 . . . . 26 ALA CB . 26545 1 217 . 1 1 26 26 ALA N N 15 130.163 0.047 . 1 . . . . 26 ALA N . 26545 1 218 . 1 1 27 27 PRO HA H 1 4.181 0 . 1 . . . . 27 PRO HA . 26545 1 219 . 1 1 27 27 PRO HB2 H 1 2.157 0 . 1 . . . . 27 PRO HB2 . 26545 1 220 . 1 1 27 27 PRO HB3 H 1 2.157 0 . 1 . . . . 27 PRO HB3 . 26545 1 221 . 1 1 27 27 PRO HG2 H 1 1.775 0 . 1 . . . . 27 PRO HG2 . 26545 1 222 . 1 1 27 27 PRO HG3 H 1 1.775 0 . 1 . . . . 27 PRO HG3 . 26545 1 223 . 1 1 27 27 PRO C C 13 177.669 0 . 1 . . . . 27 PRO C . 26545 1 224 . 1 1 27 27 PRO CA C 13 63.332 0.02 . 1 . . . . 27 PRO CA . 26545 1 225 . 1 1 27 27 PRO CB C 13 31.863 0.005 . 1 . . . . 27 PRO CB . 26545 1 226 . 1 1 27 27 PRO CG C 13 27.523 0 . 1 . . . . 27 PRO CG . 26545 1 227 . 1 1 27 27 PRO CD C 13 50.68 0 . 1 . . . . 27 PRO CD . 26545 1 228 . 1 1 28 28 GLY H H 1 8.384 0.004 . 1 . . . . 28 GLY HN . 26545 1 229 . 1 1 28 28 GLY HA2 H 1 3.748 0 . 1 . . . . 28 GLY HA2 . 26545 1 230 . 1 1 28 28 GLY HA3 H 1 3.748 0 . 1 . . . . 28 GLY HA3 . 26545 1 231 . 1 1 28 28 GLY C C 13 174.262 0 . 1 . . . . 28 GLY C . 26545 1 232 . 1 1 28 28 GLY CA C 13 45.313 0.062 . 1 . . . . 28 GLY CA . 26545 1 233 . 1 1 28 28 GLY N N 15 109.44 0.058 . 1 . . . . 28 GLY N . 26545 1 234 . 1 1 29 29 GLU H H 1 8.093 0.013 . 1 . . . . 29 GLU HN . 26545 1 235 . 1 1 29 29 GLU HA H 1 4.153 0.009 . 1 . . . . 29 GLU HA . 26545 1 236 . 1 1 29 29 GLU HB2 H 1 1.756 0 . 1 . . . . 29 GLU HB2 . 26545 1 237 . 1 1 29 29 GLU HB3 H 1 1.756 0 . 1 . . . . 29 GLU HB3 . 26545 1 238 . 1 1 29 29 GLU HG2 H 1 2.01 0 . 1 . . . . 29 GLU HG2 . 26545 1 239 . 1 1 29 29 GLU HG3 H 1 2.01 0 . 1 . . . . 29 GLU HG3 . 26545 1 240 . 1 1 29 29 GLU C C 13 176.678 0 . 1 . . . . 29 GLU C . 26545 1 241 . 1 1 29 29 GLU CA C 13 56.469 0.069 . 1 . . . . 29 GLU CA . 26545 1 242 . 1 1 29 29 GLU CB C 13 30.195 0.026 . 1 . . . . 29 GLU CB . 26545 1 243 . 1 1 29 29 GLU CG C 13 36.676 0 . 1 . . . . 29 GLU CG . 26545 1 244 . 1 1 29 29 GLU N N 15 120.371 0.023 . 1 . . . . 29 GLU N . 26545 1 245 . 1 1 30 30 SER H H 1 8.319 0.003 . 1 . . . . 30 SER HN . 26545 1 246 . 1 1 30 30 SER HA H 1 4.196 0.043 . 1 . . . . 30 SER HA . 26545 1 247 . 1 1 30 30 SER HB2 H 1 3.643 0 . 1 . . . . 30 SER HB2 . 26545 1 248 . 1 1 30 30 SER HB3 H 1 3.643 0 . 1 . . . . 30 SER HB3 . 26545 1 249 . 1 1 30 30 SER CA C 13 58.623 0.039 . 1 . . . . 30 SER CA . 26545 1 250 . 1 1 30 30 SER CB C 13 63.756 0.016 . 1 . . . . 30 SER CB . 26545 1 251 . 1 1 30 30 SER N N 15 116.772 0.02 . 1 . . . . 30 SER N . 26545 1 252 . 1 1 31 31 GLN H H 1 8.4 0.007 . 1 . . . . 31 GLN HN . 26545 1 253 . 1 1 31 31 GLN HA H 1 4.158 0.006 . 1 . . . . 31 GLN HA . 26545 1 254 . 1 1 31 31 GLN HB2 H 1 1.854 0 . 1 . . . . 31 GLN HB2 . 26545 1 255 . 1 1 31 31 GLN HB3 H 1 1.854 0 . 1 . . . . 31 GLN HB3 . 26545 1 256 . 1 1 31 31 GLN HG2 H 1 2.137 0 . 1 . . . . 31 GLN HG2 . 26545 1 257 . 1 1 31 31 GLN HG3 H 1 2.137 0 . 1 . . . . 31 GLN HG3 . 26545 1 258 . 1 1 31 31 GLN C C 13 175.735 0 . 1 . . . . 31 GLN C . 26545 1 259 . 1 1 31 31 GLN CA C 13 56.111 0.206 . 1 . . . . 31 GLN CA . 26545 1 260 . 1 1 31 31 GLN CB C 13 30.048 0 . 1 . . . . 31 GLN CB . 26545 1 261 . 1 1 31 31 GLN CG C 13 33.782 0 . 1 . . . . 31 GLN CG . 26545 1 262 . 1 1 31 31 GLN N N 15 122.367 0.015 . 1 . . . . 31 GLN N . 26545 1 263 . 1 1 32 32 GLN H H 1 8.344 0.01 . 1 . . . . 32 GLN HN . 26545 1 264 . 1 1 32 32 GLN HA H 1 4.143 0.001 . 1 . . . . 32 GLN HA . 26545 1 265 . 1 1 32 32 GLN HB2 H 1 1.854 0 . 1 . . . . 32 GLN HB2 . 26545 1 266 . 1 1 32 32 GLN HB3 H 1 1.854 0 . 1 . . . . 32 GLN HB3 . 26545 1 267 . 1 1 32 32 GLN C C 13 175.698 0 . 1 . . . . 32 GLN C . 26545 1 268 . 1 1 32 32 GLN CA C 13 55.728 0.05 . 1 . . . . 32 GLN CA . 26545 1 269 . 1 1 32 32 GLN CB C 13 29.489 0.164 . 1 . . . . 32 GLN CB . 26545 1 270 . 1 1 32 32 GLN CG C 13 33.938 0 . 1 . . . . 32 GLN CG . 26545 1 271 . 1 1 32 32 GLN N N 15 121.895 0.018 . 1 . . . . 32 GLN N . 26545 1 272 . 1 1 33 33 GLU H H 1 8.41 0.006 . 1 . . . . 33 GLU HN . 26545 1 273 . 1 1 33 33 GLU HA H 1 4.115 0.006 . 1 . . . . 33 GLU HA . 26545 1 274 . 1 1 33 33 GLU HB2 H 1 1.736 0 . 1 . . . . 33 GLU HB2 . 26545 1 275 . 1 1 33 33 GLU HB3 H 1 1.736 0 . 1 . . . . 33 GLU HB3 . 26545 1 276 . 1 1 33 33 GLU C C 13 176.225 0 . 1 . . . . 33 GLU C . 26545 1 277 . 1 1 33 33 GLU CA C 13 56.22 0.026 . 1 . . . . 33 GLU CA . 26545 1 278 . 1 1 33 33 GLU CB C 13 30.404 0.274 . 1 . . . . 33 GLU CB . 26545 1 279 . 1 1 33 33 GLU CG C 13 36.402 0 . 1 . . . . 33 GLU CG . 26545 1 280 . 1 1 33 33 GLU N N 15 122.824 0.046 . 1 . . . . 33 GLU N . 26545 1 281 . 1 1 34 34 GLU H H 1 8.434 0.008 . 1 . . . . 34 GLU HN . 26545 1 282 . 1 1 34 34 GLU HA H 1 4.403 0 . 1 . . . . 34 GLU HA . 26545 1 283 . 1 1 34 34 GLU CA C 13 54.074 0 . 1 . . . . 34 GLU CA . 26545 1 284 . 1 1 34 34 GLU CB C 13 29.857 0 . 1 . . . . 34 GLU CB . 26545 1 285 . 1 1 34 34 GLU N N 15 123.982 0.048 . 1 . . . . 34 GLU N . 26545 1 286 . 1 1 36 36 PRO HA H 1 4.338 0 . 1 . . . . 36 PRO HA . 26545 1 287 . 1 1 36 36 PRO HB2 H 1 2.127 0 . 1 . . . . 36 PRO HB2 . 26545 1 288 . 1 1 36 36 PRO HB3 H 1 2.127 0 . 1 . . . . 36 PRO HB3 . 26545 1 289 . 1 1 36 36 PRO HG2 H 1 1.824 0 . 1 . . . . 36 PRO HG2 . 26545 1 290 . 1 1 36 36 PRO HG3 H 1 1.824 0 . 1 . . . . 36 PRO HG3 . 26545 1 291 . 1 1 36 36 PRO C C 13 177.177 0 . 1 . . . . 36 PRO C . 26545 1 292 . 1 1 36 36 PRO CA C 13 62.824 0.069 . 1 . . . . 36 PRO CA . 26545 1 293 . 1 1 36 36 PRO CB C 13 31.996 0.057 . 1 . . . . 36 PRO CB . 26545 1 294 . 1 1 36 36 PRO CG C 13 27.21 0 . 1 . . . . 36 PRO CG . 26545 1 295 . 1 1 36 36 PRO CD C 13 50.25 0 . 1 . . . . 36 PRO CD . 26545 1 296 . 1 1 37 37 THR H H 1 8.244 0.002 . 1 . . . . 37 THR HN . 26545 1 297 . 1 1 37 37 THR HA H 1 4.155 0.002 . 1 . . . . 37 THR HA . 26545 1 298 . 1 1 37 37 THR HB H 1 3.692 0 . 1 . . . . 37 THR HB . 26545 1 299 . 1 1 37 37 THR HG21 H 1 1.032 0 . 1 . . . . 37 THR HG# . 26545 1 300 . 1 1 37 37 THR HG22 H 1 1.032 0 . 1 . . . . 37 THR HG# . 26545 1 301 . 1 1 37 37 THR HG23 H 1 1.032 0 . 1 . . . . 37 THR HG# . 26545 1 302 . 1 1 37 37 THR C C 13 174.332 0 . 1 . . . . 37 THR C . 26545 1 303 . 1 1 37 37 THR CA C 13 61.652 0.377 . 1 . . . . 37 THR CA . 26545 1 304 . 1 1 37 37 THR CB C 13 69.924 0.038 . 1 . . . . 37 THR CB . 26545 1 305 . 1 1 37 37 THR N N 15 114.454 0.039 . 1 . . . . 37 THR N . 26545 1 306 . 1 1 38 38 ASP H H 1 8.284 0.005 . 1 . . . . 38 ASP HN . 26545 1 307 . 1 1 38 38 ASP HA H 1 4.428 0.002 . 1 . . . . 38 ASP HA . 26545 1 308 . 1 1 38 38 ASP HB2 H 1 2.46 0 . 1 . . . . 38 ASP HB2 . 26545 1 309 . 1 1 38 38 ASP HB3 H 1 2.46 0 . 1 . . . . 38 ASP HB3 . 26545 1 310 . 1 1 38 38 ASP C C 13 175.861 0 . 1 . . . . 38 ASP C . 26545 1 311 . 1 1 38 38 ASP CA C 13 54.12 0.025 . 1 . . . . 38 ASP CA . 26545 1 312 . 1 1 38 38 ASP CB C 13 41.066 0.015 . 1 . . . . 38 ASP CB . 26545 1 313 . 1 1 38 38 ASP N N 15 122.611 0.04 . 1 . . . . 38 ASP N . 26545 1 314 . 1 1 39 39 ASN H H 1 8.336 0.003 . 1 . . . . 39 ASN HN . 26545 1 315 . 1 1 39 39 ASN HA H 1 4.485 0 . 1 . . . . 39 ASN HA . 26545 1 316 . 1 1 39 39 ASN HB2 H 1 2.636 0 . 1 . . . . 39 ASN HB2 . 26545 1 317 . 1 1 39 39 ASN HB3 H 1 2.636 0 . 1 . . . . 39 ASN HB3 . 26545 1 318 . 1 1 39 39 ASN C C 13 175.267 0 . 1 . . . . 39 ASN C . 26545 1 319 . 1 1 39 39 ASN CA C 13 53.244 0.373 . 1 . . . . 39 ASN CA . 26545 1 320 . 1 1 39 39 ASN CB C 13 38.737 0.013 . 1 . . . . 39 ASN CB . 26545 1 321 . 1 1 39 39 ASN N N 15 119.418 0.056 . 1 . . . . 39 ASN N . 26545 1 322 . 1 1 40 40 GLN H H 1 8.344 0.009 . 1 . . . . 40 GLN HN . 26545 1 323 . 1 1 40 40 GLN HA H 1 4.119 0.003 . 1 . . . . 40 GLN HA . 26545 1 324 . 1 1 40 40 GLN HB2 H 1 1.883 0 . 1 . . . . 40 GLN HB2 . 26545 1 325 . 1 1 40 40 GLN HB3 H 1 1.883 0 . 1 . . . . 40 GLN HB3 . 26545 1 326 . 1 1 40 40 GLN C C 13 175.668 0 . 1 . . . . 40 GLN C . 26545 1 327 . 1 1 40 40 GLN CA C 13 55.978 0.024 . 1 . . . . 40 GLN CA . 26545 1 328 . 1 1 40 40 GLN CB C 13 29.377 0.024 . 1 . . . . 40 GLN CB . 26545 1 329 . 1 1 40 40 GLN CG C 13 34.055 0 . 1 . . . . 40 GLN CG . 26545 1 330 . 1 1 40 40 GLN N N 15 120.596 0.097 . 1 . . . . 40 GLN N . 26545 1 331 . 1 1 41 41 ASP H H 1 8.308 0.008 . 1 . . . . 41 ASP HN . 26545 1 332 . 1 1 41 41 ASP HA H 1 4.404 0.018 . 1 . . . . 41 ASP HA . 26545 1 333 . 1 1 41 41 ASP HB2 H 1 2.45 0 . 1 . . . . 41 ASP HB2 . 26545 1 334 . 1 1 41 41 ASP HB3 H 1 2.45 0 . 1 . . . . 41 ASP HB3 . 26545 1 335 . 1 1 41 41 ASP C C 13 175.827 0 . 1 . . . . 41 ASP C . 26545 1 336 . 1 1 41 41 ASP CA C 13 54.398 0.17 . 1 . . . . 41 ASP CA . 26545 1 337 . 1 1 41 41 ASP CB C 13 40.79 0.056 . 1 . . . . 41 ASP CB . 26545 1 338 . 1 1 41 41 ASP N N 15 121.487 0.033 . 1 . . . . 41 ASP N . 26545 1 339 . 1 1 42 42 ILE H H 1 7.896 0.005 . 1 . . . . 42 ILE HN . 26545 1 340 . 1 1 42 42 ILE HA H 1 3.971 0.004 . 1 . . . . 42 ILE HA . 26545 1 341 . 1 1 42 42 ILE HB H 1 1.648 0 . 1 . . . . 42 ILE HB . 26545 1 342 . 1 1 42 42 ILE HG21 H 1 0.651 0 . 1 . . . . 42 ILE HG2 . 26545 1 343 . 1 1 42 42 ILE HG22 H 1 0.651 0 . 1 . . . . 42 ILE HG2 . 26545 1 344 . 1 1 42 42 ILE HG23 H 1 0.651 0 . 1 . . . . 42 ILE HG2 . 26545 1 345 . 1 1 42 42 ILE C C 13 176.065 0 . 1 . . . . 42 ILE C . 26545 1 346 . 1 1 42 42 ILE CA C 13 60.605 0.039 . 1 . . . . 42 ILE CA . 26545 1 347 . 1 1 42 42 ILE CB C 13 38.838 0.019 . 1 . . . . 42 ILE CB . 26545 1 348 . 1 1 42 42 ILE CG1 C 13 27.249 0 . 1 . . . . 42 ILE CG1 . 26545 1 349 . 1 1 42 42 ILE CG2 C 13 17.666 0 . 1 . . . . 42 ILE CG2 . 26545 1 350 . 1 1 42 42 ILE CD1 C 13 12.972 0 . 1 . . . . 42 ILE CD1 . 26545 1 351 . 1 1 42 42 ILE N N 15 120.428 0.051 . 1 . . . . 42 ILE N . 26545 1 352 . 1 1 43 43 GLU H H 1 8.39 0.009 . 1 . . . . 43 GLU HN . 26545 1 353 . 1 1 43 43 GLU HA H 1 4.376 0 . 1 . . . . 43 GLU HA . 26545 1 354 . 1 1 43 43 GLU CA C 13 54.247 0 . 1 . . . . 43 GLU CA . 26545 1 355 . 1 1 43 43 GLU CB C 13 29.594 0 . 1 . . . . 43 GLU CB . 26545 1 356 . 1 1 43 43 GLU N N 15 127.153 0.034 . 1 . . . . 43 GLU N . 26545 1 357 . 1 1 44 44 PRO HA H 1 4.269 0 . 1 . . . . 44 PRO HA . 26545 1 358 . 1 1 44 44 PRO HB2 H 1 2.118 0 . 1 . . . . 44 PRO HB2 . 26545 1 359 . 1 1 44 44 PRO HB3 H 1 2.118 0 . 1 . . . . 44 PRO HB3 . 26545 1 360 . 1 1 44 44 PRO HG2 H 1 1.766 0 . 1 . . . . 44 PRO HG2 . 26545 1 361 . 1 1 44 44 PRO HG3 H 1 1.766 0 . 1 . . . . 44 PRO HG3 . 26545 1 362 . 1 1 44 44 PRO C C 13 177.695 0 . 1 . . . . 44 PRO C . 26545 1 363 . 1 1 44 44 PRO CA C 13 63.627 0.148 . 1 . . . . 44 PRO CA . 26545 1 364 . 1 1 44 44 PRO CB C 13 31.989 0.083 . 1 . . . . 44 PRO CB . 26545 1 365 . 1 1 44 44 PRO CG C 13 27.719 0 . 1 . . . . 44 PRO CG . 26545 1 366 . 1 1 44 44 PRO CD C 13 50.836 0 . 1 . . . . 44 PRO CD . 26545 1 367 . 1 1 45 45 GLY H H 1 8.549 0.01 . 1 . . . . 45 GLY HN . 26545 1 368 . 1 1 45 45 GLY HA2 H 1 3.788 0 . 1 . . . . 45 GLY HA2 . 26545 1 369 . 1 1 45 45 GLY HA3 H 1 3.788 0 . 1 . . . . 45 GLY HA3 . 26545 1 370 . 1 1 45 45 GLY C C 13 174.334 0 . 1 . . . . 45 GLY C . 26545 1 371 . 1 1 45 45 GLY CA C 13 45.304 0.044 . 1 . . . . 45 GLY CA . 26545 1 372 . 1 1 45 45 GLY N N 15 109.938 0.061 . 1 . . . . 45 GLY N . 26545 1 373 . 1 1 46 46 GLN H H 1 8.094 0.015 . 1 . . . . 46 GLN HN . 26545 1 374 . 1 1 46 46 GLN HA H 1 4.164 0.007 . 1 . . . . 46 GLN HA . 26545 1 375 . 1 1 46 46 GLN HB2 H 1 1.863 0 . 1 . . . . 46 GLN HB2 . 26545 1 376 . 1 1 46 46 GLN HB3 H 1 1.863 0 . 1 . . . . 46 GLN HB3 . 26545 1 377 . 1 1 46 46 GLN HG2 H 1 2.127 0 . 1 . . . . 46 GLN HG2 . 26545 1 378 . 1 1 46 46 GLN HG3 H 1 2.127 0 . 1 . . . . 46 GLN HG3 . 26545 1 379 . 1 1 46 46 GLN C C 13 176.022 0 . 1 . . . . 46 GLN C . 26545 1 380 . 1 1 46 46 GLN CA C 13 55.708 0.203 . 1 . . . . 46 GLN CA . 26545 1 381 . 1 1 46 46 GLN CB C 13 29.561 0.155 . 1 . . . . 46 GLN CB . 26545 1 382 . 1 1 46 46 GLN CG C 13 33.977 0 . 1 . . . . 46 GLN CG . 26545 1 383 . 1 1 46 46 GLN N N 15 119.687 0.462 . 1 . . . . 46 GLN N . 26545 1 384 . 1 1 47 47 GLU H H 1 8.55 0.013 . 1 . . . . 47 GLU HN . 26545 1 385 . 1 1 47 47 GLU HA H 1 4.098 0.024 . 1 . . . . 47 GLU HA . 26545 1 386 . 1 1 47 47 GLU HB2 H 1 1.824 0 . 1 . . . . 47 GLU HB2 . 26545 1 387 . 1 1 47 47 GLU HB3 H 1 1.824 0 . 1 . . . . 47 GLU HB3 . 26545 1 388 . 1 1 47 47 GLU HG2 H 1 2.127 0 . 1 . . . . 47 GLU HG2 . 26545 1 389 . 1 1 47 47 GLU HG3 H 1 2.127 0 . 1 . . . . 47 GLU HG3 . 26545 1 390 . 1 1 47 47 GLU C C 13 176.295 0 . 1 . . . . 47 GLU C . 26545 1 391 . 1 1 47 47 GLU CA C 13 56.633 0.284 . 1 . . . . 47 GLU CA . 26545 1 392 . 1 1 47 47 GLU CB C 13 29.682 0.148 . 1 . . . . 47 GLU CB . 26545 1 393 . 1 1 47 47 GLU CG C 13 36.285 0 . 1 . . . . 47 GLU CG . 26545 1 394 . 1 1 47 47 GLU N N 15 122.434 0.114 . 1 . . . . 47 GLU N . 26545 1 395 . 1 1 48 48 ARG H H 1 8.341 0.011 . 1 . . . . 48 ARG HN . 26545 1 396 . 1 1 48 48 ARG HA H 1 4.169 0.012 . 1 . . . . 48 ARG HA . 26545 1 397 . 1 1 48 48 ARG HB2 H 1 1.58 0 . 1 . . . . 48 ARG HB2 . 26545 1 398 . 1 1 48 48 ARG HB3 H 1 1.58 0 . 1 . . . . 48 ARG HB3 . 26545 1 399 . 1 1 48 48 ARG C C 13 176.03 0 . 1 . . . . 48 ARG C . 26545 1 400 . 1 1 48 48 ARG CA C 13 56.352 0.128 . 1 . . . . 48 ARG CA . 26545 1 401 . 1 1 48 48 ARG CB C 13 30.629 0.195 . 1 . . . . 48 ARG CB . 26545 1 402 . 1 1 48 48 ARG CG C 13 27.014 0 . 1 . . . . 48 ARG CG . 26545 1 403 . 1 1 48 48 ARG CD C 13 42.974 0 . 1 . . . . 48 ARG CD . 26545 1 404 . 1 1 48 48 ARG N N 15 122.407 0.261 . 1 . . . . 48 ARG N . 26545 1 405 . 1 1 49 49 GLU H H 1 8.481 0.036 . 1 . . . . 49 GLU HN . 26545 1 406 . 1 1 49 49 GLU HA H 1 4.126 0.007 . 1 . . . . 49 GLU HA . 26545 1 407 . 1 1 49 49 GLU HB2 H 1 1.81 0 . 1 . . . . 49 GLU HB2 . 26545 1 408 . 1 1 49 49 GLU HB3 H 1 1.81 0 . 1 . . . . 49 GLU HB3 . 26545 1 409 . 1 1 49 49 GLU C C 13 176.617 0 . 1 . . . . 49 GLU C . 26545 1 410 . 1 1 49 49 GLU CA C 13 56.528 0.176 . 1 . . . . 49 GLU CA . 26545 1 411 . 1 1 49 49 GLU CB C 13 30.703 0.544 . 1 . . . . 49 GLU CB . 26545 1 412 . 1 1 49 49 GLU CG C 13 36.285 0 . 1 . . . . 49 GLU CG . 26545 1 413 . 1 1 49 49 GLU N N 15 123.425 0.56 . 1 . . . . 49 GLU N . 26545 1 414 . 1 1 50 50 GLY H H 1 8.316 0.004 . 1 . . . . 50 GLY HN . 26545 1 415 . 1 1 50 50 GLY HA2 H 1 3.715 0 . 1 . . . . 50 GLY HA2 . 26545 1 416 . 1 1 50 50 GLY HA3 H 1 3.715 0 . 1 . . . . 50 GLY HA3 . 26545 1 417 . 1 1 50 50 GLY C C 13 173.364 0 . 1 . . . . 50 GLY C . 26545 1 418 . 1 1 50 50 GLY CA C 13 44.86 0.209 . 1 . . . . 50 GLY CA . 26545 1 419 . 1 1 50 50 GLY N N 15 110.539 0.036 . 1 . . . . 50 GLY N . 26545 1 420 . 1 1 51 51 TPO H H 1 9.256 0.006 . 1 . . . . 51 THR HN . 26545 1 421 . 1 1 51 51 TPO HA H 1 4.246 0 . 1 . . . . 51 THR HA . 26545 1 422 . 1 1 51 51 TPO CA C 13 61.248 0 . 1 . . . . 51 THR CA . 26545 1 423 . 1 1 51 51 TPO CB C 13 72.925 0 . 1 . . . . 51 THR CB . 26545 1 424 . 1 1 51 51 TPO N N 15 122.224 0.04 . 1 . . . . 51 THR N . 26545 1 425 . 1 1 53 53 PRO HA H 1 4.259 0 . 1 . . . . 53 PRO HA . 26545 1 426 . 1 1 53 53 PRO C C 13 176.902 0 . 1 . . . . 53 PRO C . 26545 1 427 . 1 1 53 53 PRO CA C 13 62.649 0 . 1 . . . . 53 PRO CA . 26545 1 428 . 1 1 53 53 PRO CB C 13 31.909 0 . 1 . . . . 53 PRO CB . 26545 1 429 . 1 1 53 53 PRO CG C 13 27.366 0 . 1 . . . . 53 PRO CG . 26545 1 430 . 1 1 53 53 PRO CD C 13 50.406 0 . 1 . . . . 53 PRO CD . 26545 1 431 . 1 1 54 54 ILE H H 1 8.204 0.008 . 1 . . . . 54 ILE HN . 26545 1 432 . 1 1 54 54 ILE HA H 1 3.888 0.001 . 1 . . . . 54 ILE HA . 26545 1 433 . 1 1 54 54 ILE HB H 1 1.863 0 . 1 . . . . 54 ILE HB . 26545 1 434 . 1 1 54 54 ILE HG12 H 1 1.551 0 . 1 . . . . 54 ILE HG12 . 26545 1 435 . 1 1 54 54 ILE HG13 H 1 1.551 0 . 1 . . . . 54 ILE HG13 . 26545 1 436 . 1 1 54 54 ILE HD11 H 1 0.768 0 . 1 . . . . 54 ILE HD1 . 26545 1 437 . 1 1 54 54 ILE HD12 H 1 0.768 0 . 1 . . . . 54 ILE HD1 . 26545 1 438 . 1 1 54 54 ILE HD13 H 1 0.768 0 . 1 . . . . 54 ILE HD1 . 26545 1 439 . 1 1 54 54 ILE C C 13 176.413 0 . 1 . . . . 54 ILE C . 26545 1 440 . 1 1 54 54 ILE CA C 13 61.939 0.531 . 1 . . . . 54 ILE CA . 26545 1 441 . 1 1 54 54 ILE CB C 13 38.615 0.111 . 1 . . . . 54 ILE CB . 26545 1 442 . 1 1 54 54 ILE CG1 C 13 27.288 0 . 1 . . . . 54 ILE CG1 . 26545 1 443 . 1 1 54 54 ILE CG2 C 13 17.939 0 . 1 . . . . 54 ILE CG2 . 26545 1 444 . 1 1 54 54 ILE CD1 C 13 13.128 0 . 1 . . . . 54 ILE CD1 . 26545 1 445 . 1 1 54 54 ILE N N 15 121.33 0.14 . 1 . . . . 54 ILE N . 26545 1 446 . 1 1 55 55 GLU H H 1 8.428 0.009 . 1 . . . . 55 GLU HN . 26545 1 447 . 1 1 55 55 GLU HA H 1 4.113 0 . 1 . . . . 55 GLU HA . 26545 1 448 . 1 1 55 55 GLU HB2 H 1 1.766 0 . 1 . . . . 55 GLU HB2 . 26545 1 449 . 1 1 55 55 GLU HB3 H 1 1.766 0 . 1 . . . . 55 GLU HB3 . 26545 1 450 . 1 1 55 55 GLU C C 13 176.158 0 . 1 . . . . 55 GLU C . 26545 1 451 . 1 1 55 55 GLU CA C 13 56.615 0.134 . 1 . . . . 55 GLU CA . 26545 1 452 . 1 1 55 55 GLU CB C 13 30.275 0.097 . 1 . . . . 55 GLU CB . 26545 1 453 . 1 1 55 55 GLU CG C 13 36.402 0 . 1 . . . . 55 GLU CG . 26545 1 454 . 1 1 55 55 GLU N N 15 125.276 0.061 . 1 . . . . 55 GLU N . 26545 1 455 . 1 1 56 56 GLU H H 1 8.379 0.022 . 1 . . . . 56 GLU HN . 26545 1 456 . 1 1 56 56 GLU HA H 1 4.082 0.001 . 1 . . . . 56 GLU HA . 26545 1 457 . 1 1 56 56 GLU HB2 H 1 1.746 0 . 1 . . . . 56 GLU HB2 . 26545 1 458 . 1 1 56 56 GLU HB3 H 1 1.746 0 . 1 . . . . 56 GLU HB3 . 26545 1 459 . 1 1 56 56 GLU C C 13 176.192 0 . 1 . . . . 56 GLU C . 26545 1 460 . 1 1 56 56 GLU CA C 13 56.461 0.197 . 1 . . . . 56 GLU CA . 26545 1 461 . 1 1 56 56 GLU CB C 13 30.206 0.115 . 1 . . . . 56 GLU CB . 26545 1 462 . 1 1 56 56 GLU CG C 13 36.285 0 . 1 . . . . 56 GLU CG . 26545 1 463 . 1 1 56 56 GLU N N 15 123.442 0.366 . 1 . . . . 56 GLU N . 26545 1 464 . 1 1 57 57 ARG H H 1 8.316 0.027 . 1 . . . . 57 ARG HN . 26545 1 465 . 1 1 57 57 ARG HA H 1 4.128 0.003 . 1 . . . . 57 ARG HA . 26545 1 466 . 1 1 57 57 ARG HB2 H 1 1.599 0 . 1 . . . . 57 ARG HB2 . 26545 1 467 . 1 1 57 57 ARG HB3 H 1 1.599 0 . 1 . . . . 57 ARG HB3 . 26545 1 468 . 1 1 57 57 ARG HD2 H 1 3.702 0 . 1 . . . . 57 ARG HD2 . 26545 1 469 . 1 1 57 57 ARG HD3 H 1 3.702 0 . 1 . . . . 57 ARG HD3 . 26545 1 470 . 1 1 57 57 ARG C C 13 175.997 0 . 1 . . . . 57 ARG C . 26545 1 471 . 1 1 57 57 ARG CA C 13 56.375 0.252 . 1 . . . . 57 ARG CA . 26545 1 472 . 1 1 57 57 ARG CB C 13 30.307 0.179 . 1 . . . . 57 ARG CB . 26545 1 473 . 1 1 57 57 ARG CG C 13 27.171 0 . 1 . . . . 57 ARG CG . 26545 1 474 . 1 1 57 57 ARG CD C 13 42.935 0 . 1 . . . . 57 ARG CD . 26545 1 475 . 1 1 57 57 ARG N N 15 123.457 0.24 . 1 . . . . 57 ARG N . 26545 1 476 . 1 1 58 58 LYS H H 1 8.411 0.01 . 1 . . . . 58 LYS HN . 26545 1 477 . 1 1 58 58 LYS HA H 1 4.146 0.004 . 1 . . . . 58 LYS HA . 26545 1 478 . 1 1 58 58 LYS HB2 H 1 1.609 0 . 1 . . . . 58 LYS HB2 . 26545 1 479 . 1 1 58 58 LYS HB3 H 1 1.609 0 . 1 . . . . 58 LYS HB3 . 26545 1 480 . 1 1 58 58 LYS HG2 H 1 1.032 0 . 1 . . . . 58 LYS HG2 . 26545 1 481 . 1 1 58 58 LYS HG3 H 1 1.032 0 . 1 . . . . 58 LYS HG3 . 26545 1 482 . 1 1 58 58 LYS C C 13 176.446 0 . 1 . . . . 58 LYS C . 26545 1 483 . 1 1 58 58 LYS CA C 13 56.412 0.2 . 1 . . . . 58 LYS CA . 26545 1 484 . 1 1 58 58 LYS CB C 13 32.903 0.068 . 1 . . . . 58 LYS CB . 26545 1 485 . 1 1 58 58 LYS CG C 13 24.902 0 . 1 . . . . 58 LYS CG . 26545 1 486 . 1 1 58 58 LYS CD C 13 29.009 0 . 1 . . . . 58 LYS CD . 26545 1 487 . 1 1 58 58 LYS CE C 13 42.074 0 . 1 . . . . 58 LYS CE . 26545 1 488 . 1 1 58 58 LYS N N 15 124.394 0.082 . 1 . . . . 58 LYS N . 26545 1 489 . 1 1 59 59 VAL H H 1 8.279 0.008 . 1 . . . . 59 VAL HN . 26545 1 490 . 1 1 59 59 VAL HA H 1 4.185 0.248 . 1 . . . . 59 VAL HA . 26545 1 491 . 1 1 59 59 VAL HB H 1 1.873 0 . 1 . . . . 59 VAL HB . 26545 1 492 . 1 1 59 59 VAL HG11 H 1 0.778 0 . 2 . . . . 59 VAL HG1 . 26545 1 493 . 1 1 59 59 VAL HG12 H 1 0.778 0 . 2 . . . . 59 VAL HG1 . 26545 1 494 . 1 1 59 59 VAL HG13 H 1 0.778 0 . 2 . . . . 59 VAL HG1 . 26545 1 495 . 1 1 59 59 VAL C C 13 176.131 0 . 1 . . . . 59 VAL C . 26545 1 496 . 1 1 59 59 VAL CA C 13 62.143 0.068 . 1 . . . . 59 VAL CA . 26545 1 497 . 1 1 59 59 VAL CB C 13 32.716 0.168 . 1 . . . . 59 VAL CB . 26545 1 498 . 1 1 59 59 VAL CG1 C 13 21.03 0 . 1 . . . . 59 VAL CG1 . 26545 1 499 . 1 1 59 59 VAL N N 15 122.736 0.094 . 1 . . . . 59 VAL N . 26545 1 500 . 1 1 60 60 GLU H H 1 8.483 0.004 . 1 . . . . 60 GLU HN . 26545 1 501 . 1 1 60 60 GLU HA H 1 4.133 0.011 . 1 . . . . 60 GLU HA . 26545 1 502 . 1 1 60 60 GLU HB2 H 1 1.805 0 . 1 . . . . 60 GLU HB2 . 26545 1 503 . 1 1 60 60 GLU HB3 H 1 1.805 0 . 1 . . . . 60 GLU HB3 . 26545 1 504 . 1 1 60 60 GLU C C 13 176.818 0 . 1 . . . . 60 GLU C . 26545 1 505 . 1 1 60 60 GLU CA C 13 56.546 0.054 . 1 . . . . 60 GLU CA . 26545 1 506 . 1 1 60 60 GLU CB C 13 30.256 0.046 . 1 . . . . 60 GLU CB . 26545 1 507 . 1 1 60 60 GLU CG C 13 36.52 0 . 1 . . . . 60 GLU CG . 26545 1 508 . 1 1 60 60 GLU N N 15 125.213 0.055 . 1 . . . . 60 GLU N . 26545 1 509 . 1 1 61 61 GLY H H 1 8.355 0.005 . 1 . . . . 61 GLY HN . 26545 1 510 . 1 1 61 61 GLY HA2 H 1 3.816 0 . 1 . . . . 61 GLY HA2 . 26545 1 511 . 1 1 61 61 GLY HA3 H 1 3.816 0 . 1 . . . . 61 GLY HA3 . 26545 1 512 . 1 1 61 61 GLY C C 13 173.753 0 . 1 . . . . 61 GLY C . 26545 1 513 . 1 1 61 61 GLY CA C 13 45.362 0.083 . 1 . . . . 61 GLY CA . 26545 1 514 . 1 1 61 61 GLY N N 15 110.27 0.043 . 1 . . . . 61 GLY N . 26545 1 515 . 1 1 62 62 ASP H H 1 8.198 0.008 . 1 . . . . 62 ASP HN . 26545 1 516 . 1 1 62 62 ASP HA H 1 4.037 0 . 1 . . . . 62 ASP HA . 26545 1 517 . 1 1 62 62 ASP C C 13 175.854 0 . 1 . . . . 62 ASP C . 26545 1 518 . 1 1 62 62 ASP CA C 13 54.566 0.072 . 1 . . . . 62 ASP CA . 26545 1 519 . 1 1 62 62 ASP CB C 13 41.244 0.203 . 1 . . . . 62 ASP CB . 26545 1 520 . 1 1 62 62 ASP N N 15 120.298 0.126 . 1 . . . . 62 ASP N . 26545 1 521 . 1 1 63 63 CYS H H 1 8.318 0.006 . 1 . . . . 63 CYS HN . 26545 1 522 . 1 1 63 63 CYS HA H 1 4.327 0.014 . 1 . . . . 63 CYS HA . 26545 1 523 . 1 1 63 63 CYS HB2 H 1 2.768 0 . 1 . . . . 63 CYS HB2 . 26545 1 524 . 1 1 63 63 CYS HB3 H 1 2.768 0 . 1 . . . . 63 CYS HB3 . 26545 1 525 . 1 1 63 63 CYS C C 13 174.79 0 . 1 . . . . 63 CYS C . 26545 1 526 . 1 1 63 63 CYS CA C 13 58.93 0.134 . 1 . . . . 63 CYS CA . 26545 1 527 . 1 1 63 63 CYS CB C 13 27.905 0.029 . 1 . . . . 63 CYS CB . 26545 1 528 . 1 1 63 63 CYS N N 15 119.72 0 . 1 . . . . 63 CYS N . 26545 1 529 . 1 1 64 64 GLN H H 1 8.461 0.005 . 1 . . . . 64 GLN HN . 26545 1 530 . 1 1 64 64 GLN HA H 1 4.126 0.011 . 1 . . . . 64 GLN HA . 26545 1 531 . 1 1 64 64 GLN HB2 H 1 1.907 0 . 1 . . . . 64 GLN HB2 . 26545 1 532 . 1 1 64 64 GLN HB3 H 1 1.907 0 . 1 . . . . 64 GLN HB3 . 26545 1 533 . 1 1 64 64 GLN C C 13 176.171 0 . 1 . . . . 64 GLN C . 26545 1 534 . 1 1 64 64 GLN CA C 13 56.756 0.028 . 1 . . . . 64 GLN CA . 26545 1 535 . 1 1 64 64 GLN CB C 13 29.393 0.103 . 1 . . . . 64 GLN CB . 26545 1 536 . 1 1 64 64 GLN N N 15 122.787 0 . 1 . . . . 64 GLN N . 26545 1 537 . 1 1 65 65 GLU H H 1 8.387 0.01 . 1 . . . . 65 GLU HN . 26545 1 538 . 1 1 65 65 GLU HA H 1 4.461 0 . 1 . . . . 65 GLU HA . 26545 1 539 . 1 1 65 65 GLU C C 13 176.069 0 . 1 . . . . 65 GLU C . 26545 1 540 . 1 1 65 65 GLU CA C 13 56.728 0 . 1 . . . . 65 GLU CA . 26545 1 541 . 1 1 65 65 GLU CB C 13 29.496 0 . 1 . . . . 65 GLU CB . 26545 1 542 . 1 1 65 65 GLU N N 15 121.958 0 . 1 . . . . 65 GLU N . 26545 1 543 . 1 1 66 66 MET H H 1 8.273 0.008 . 1 . . . . 66 MET HN . 26545 1 544 . 1 1 66 66 MET HA H 1 4.155 0.01 . 1 . . . . 66 MET HA . 26545 1 545 . 1 1 66 66 MET HB2 H 1 1.885 0.008 . 1 . . . . 66 MET HB2 . 26545 1 546 . 1 1 66 66 MET HB3 H 1 1.885 0.008 . 1 . . . . 66 MET HB3 . 26545 1 547 . 1 1 66 66 MET C C 13 176.065 0 . 1 . . . . 66 MET C . 26545 1 548 . 1 1 66 66 MET CA C 13 56.13 0 . 1 . . . . 66 MET CA . 26545 1 549 . 1 1 66 66 MET CB C 13 32.899 0 . 1 . . . . 66 MET CB . 26545 1 550 . 1 1 66 66 MET N N 15 121.092 0 . 1 . . . . 66 MET N . 26545 1 551 . 1 1 67 67 ASP H H 1 8.298 0.011 . 1 . . . . 67 ASP HN . 26545 1 552 . 1 1 67 67 ASP HA H 1 4.4 0.006 . 1 . . . . 67 ASP HA . 26545 1 553 . 1 1 67 67 ASP HB2 H 1 2.58 0.036 . 1 . . . . 67 ASP HB2 . 26545 1 554 . 1 1 67 67 ASP HB3 H 1 2.58 0.036 . 1 . . . . 67 ASP HB3 . 26545 1 555 . 1 1 67 67 ASP C C 13 176.671 0 . 1 . . . . 67 ASP C . 26545 1 556 . 1 1 67 67 ASP CA C 13 54.634 0.205 . 1 . . . . 67 ASP CA . 26545 1 557 . 1 1 67 67 ASP CB C 13 40.824 0.059 . 1 . . . . 67 ASP CB . 26545 1 558 . 1 1 67 67 ASP N N 15 121.604 0.066 . 1 . . . . 67 ASP N . 26545 1 559 . 1 1 68 68 LEU H H 1 8.148 0.008 . 1 . . . . 68 LEU HN . 26545 1 560 . 1 1 68 68 LEU HA H 1 4.097 0.016 . 1 . . . . 68 LEU HA . 26545 1 561 . 1 1 68 68 LEU HB2 H 1 1.492 0 . 1 . . . . 68 LEU HB2 . 26545 1 562 . 1 1 68 68 LEU HB3 H 1 1.492 0 . 1 . . . . 68 LEU HB3 . 26545 1 563 . 1 1 68 68 LEU C C 13 178.27 0 . 1 . . . . 68 LEU C . 26545 1 564 . 1 1 68 68 LEU CA C 13 56.156 0.271 . 1 . . . . 68 LEU CA . 26545 1 565 . 1 1 68 68 LEU CB C 13 41.856 0.039 . 1 . . . . 68 LEU CB . 26545 1 566 . 1 1 68 68 LEU CG C 13 27.014 0 . 1 . . . . 68 LEU CG . 26545 1 567 . 1 1 68 68 LEU CD1 C 13 23.807 0 . 1 . . . . 68 LEU CD1 . 26545 1 568 . 1 1 68 68 LEU N N 15 123.073 0.038 . 1 . . . . 68 LEU N . 26545 1 569 . 1 1 69 69 GLU H H 1 8.251 0.008 . 1 . . . . 69 GLU HN . 26545 1 570 . 1 1 69 69 GLU HA H 1 3.995 0.01 . 1 . . . . 69 GLU HA . 26545 1 571 . 1 1 69 69 GLU HB2 H 1 1.893 0 . 1 . . . . 69 GLU HB2 . 26545 1 572 . 1 1 69 69 GLU HB3 H 1 1.893 0 . 1 . . . . 69 GLU HB3 . 26545 1 573 . 1 1 69 69 GLU C C 13 177.375 0 . 1 . . . . 69 GLU C . 26545 1 574 . 1 1 69 69 GLU CA C 13 57.041 0.374 . 1 . . . . 69 GLU CA . 26545 1 575 . 1 1 69 69 GLU CB C 13 29.708 0.323 . 1 . . . . 69 GLU CB . 26545 1 576 . 1 1 69 69 GLU CG C 13 36.402 0 . 1 . . . . 69 GLU CG . 26545 1 577 . 1 1 69 69 GLU N N 15 120.101 0.005 . 1 . . . . 69 GLU N . 26545 1 578 . 1 1 70 70 LYS H H 1 7.97 0.007 . 1 . . . . 70 LYS HN . 26545 1 579 . 1 1 70 70 LYS HA H 1 4.099 0.016 . 1 . . . . 70 LYS HA . 26545 1 580 . 1 1 70 70 LYS HB2 H 1 1.648 0 . 1 . . . . 70 LYS HB2 . 26545 1 581 . 1 1 70 70 LYS HB3 H 1 1.648 0 . 1 . . . . 70 LYS HB3 . 26545 1 582 . 1 1 70 70 LYS HG2 H 1 1.257 0 . 1 . . . . 70 LYS HG2 . 26545 1 583 . 1 1 70 70 LYS HG3 H 1 1.257 0 . 1 . . . . 70 LYS HG3 . 26545 1 584 . 1 1 70 70 LYS C C 13 177.446 0 . 1 . . . . 70 LYS C . 26545 1 585 . 1 1 70 70 LYS CA C 13 57.089 0.058 . 1 . . . . 70 LYS CA . 26545 1 586 . 1 1 70 70 LYS CB C 13 32.587 0.043 . 1 . . . . 70 LYS CB . 26545 1 587 . 1 1 70 70 LYS CG C 13 24.98 0 . 1 . . . . 70 LYS CG . 26545 1 588 . 1 1 70 70 LYS CD C 13 29.244 0 . 1 . . . . 70 LYS CD . 26545 1 589 . 1 1 70 70 LYS CE C 13 42.152 0 . 1 . . . . 70 LYS CE . 26545 1 590 . 1 1 70 70 LYS N N 15 121.038 0.017 . 1 . . . . 70 LYS N . 26545 1 591 . 1 1 71 71 THR H H 1 7.971 0.003 . 1 . . . . 71 THR HN . 26545 1 592 . 1 1 71 71 THR HA H 1 4.056 0.008 . 1 . . . . 71 THR HA . 26545 1 593 . 1 1 71 71 THR HB H 1 3.692 0 . 1 . . . . 71 THR HB . 26545 1 594 . 1 1 71 71 THR HG21 H 1 1.052 0 . 1 . . . . 71 THR HG2 . 26545 1 595 . 1 1 71 71 THR HG22 H 1 1.052 0 . 1 . . . . 71 THR HG2 . 26545 1 596 . 1 1 71 71 THR HG23 H 1 1.052 0 . 1 . . . . 71 THR HG2 . 26545 1 597 . 1 1 71 71 THR C C 13 175.028 0 . 1 . . . . 71 THR C . 26545 1 598 . 1 1 71 71 THR CA C 13 62.733 0.019 . 1 . . . . 71 THR CA . 26545 1 599 . 1 1 71 71 THR CB C 13 69.445 0.08 . 1 . . . . 71 THR CB . 26545 1 600 . 1 1 71 71 THR N N 15 114.238 0.03 . 1 . . . . 71 THR N . 26545 1 601 . 1 1 72 72 ARG H H 1 8.157 0.005 . 1 . . . . 72 ARG HN . 26545 1 602 . 1 1 72 72 ARG HA H 1 4.107 0.006 . 1 . . . . 72 ARG HA . 26545 1 603 . 1 1 72 72 ARG HB2 H 1 1.678 0 . 1 . . . . 72 ARG HB2 . 26545 1 604 . 1 1 72 72 ARG HB3 H 1 1.678 0 . 1 . . . . 72 ARG HB3 . 26545 1 605 . 1 1 72 72 ARG C C 13 176.832 0 . 1 . . . . 72 ARG C . 26545 1 606 . 1 1 72 72 ARG CA C 13 56.789 0.152 . 1 . . . . 72 ARG CA . 26545 1 607 . 1 1 72 72 ARG CB C 13 30.56 0.037 . 1 . . . . 72 ARG CB . 26545 1 608 . 1 1 72 72 ARG CG C 13 27.523 0 . 1 . . . . 72 ARG CG . 26545 1 609 . 1 1 72 72 ARG CD C 13 41.135 0 . 1 . . . . 72 ARG CD . 26545 1 610 . 1 1 72 72 ARG N N 15 123.116 0.051 . 1 . . . . 72 ARG N . 26545 1 611 . 1 1 73 73 SER H H 1 8.26 0.039 . 1 . . . . 73 SER HN . 26545 1 612 . 1 1 73 73 SER HA H 1 4.198 0 . 1 . . . . 73 SER HA . 26545 1 613 . 1 1 73 73 SER C C 13 174.901 0 . 1 . . . . 73 SER C . 26545 1 614 . 1 1 73 73 SER CA C 13 58.959 0.011 . 1 . . . . 73 SER CA . 26545 1 615 . 1 1 73 73 SER CB C 13 63.65 0.043 . 1 . . . . 73 SER CB . 26545 1 616 . 1 1 73 73 SER N N 15 116.83 0.213 . 1 . . . . 73 SER N . 26545 1 617 . 1 1 74 74 GLU H H 1 8.305 0.009 . 1 . . . . 74 GLU HN . 26545 1 618 . 1 1 74 74 GLU HA H 1 4.147 0.005 . 1 . . . . 74 GLU HA . 26545 1 619 . 1 1 74 74 GLU HB2 H 1 1.854 0 . 1 . . . . 74 GLU HB2 . 26545 1 620 . 1 1 74 74 GLU HB3 H 1 1.854 0 . 1 . . . . 74 GLU HB3 . 26545 1 621 . 1 1 74 74 GLU C C 13 176.71 0 . 1 . . . . 74 GLU C . 26545 1 622 . 1 1 74 74 GLU CA C 13 56.723 0.064 . 1 . . . . 74 GLU CA . 26545 1 623 . 1 1 74 74 GLU CB C 13 29.973 0.2 . 1 . . . . 74 GLU CB . 26545 1 624 . 1 1 74 74 GLU CG C 13 36.637 0 . 1 . . . . 74 GLU CG . 26545 1 625 . 1 1 74 74 GLU N N 15 122.727 0.047 . 1 . . . . 74 GLU N . 26545 1 626 . 1 1 75 75 ARG H H 1 8.251 0.008 . 1 . . . . 75 ARG HN . 26545 1 627 . 1 1 75 75 ARG HA H 1 4.163 0.001 . 1 . . . . 75 ARG HA . 26545 1 628 . 1 1 75 75 ARG HB2 H 1 1.746 0 . 1 . . . . 75 ARG HB2 . 26545 1 629 . 1 1 75 75 ARG HB3 H 1 1.746 0 . 1 . . . . 75 ARG HB3 . 26545 1 630 . 1 1 75 75 ARG HG2 H 1 1.551 0 . 1 . . . . 75 ARG HG2 . 26545 1 631 . 1 1 75 75 ARG HG3 H 1 1.551 0 . 1 . . . . 75 ARG HG3 . 26545 1 632 . 1 1 75 75 ARG C C 13 177.144 0 . 1 . . . . 75 ARG C . 26545 1 633 . 1 1 75 75 ARG CA C 13 56.597 0.113 . 1 . . . . 75 ARG CA . 26545 1 634 . 1 1 75 75 ARG CB C 13 30.45 0.295 . 1 . . . . 75 ARG CB . 26545 1 635 . 1 1 75 75 ARG CG C 13 27.249 0 . 1 . . . . 75 ARG CG . 26545 1 636 . 1 1 75 75 ARG CD C 13 43.404 0 . 1 . . . . 75 ARG CD . 26545 1 637 . 1 1 75 75 ARG N N 15 121.109 0.031 . 1 . . . . 75 ARG N . 26545 1 638 . 1 1 76 76 GLY H H 1 8.312 0.005 . 1 . . . . 76 GLY HN . 26545 1 639 . 1 1 76 76 GLY HA2 H 1 3.871 0 . 1 . . . . 76 GLY HA2 . 26545 1 640 . 1 1 76 76 GLY HA3 H 1 3.871 0 . 1 . . . . 76 GLY HA3 . 26545 1 641 . 1 1 76 76 GLY C C 13 174.089 0 . 1 . . . . 76 GLY C . 26545 1 642 . 1 1 76 76 GLY CA C 13 45.244 0.102 . 1 . . . . 76 GLY CA . 26545 1 643 . 1 1 76 76 GLY N N 15 109.569 0.035 . 1 . . . . 76 GLY N . 26545 1 644 . 1 1 77 77 ASP H H 1 8.183 0.009 . 1 . . . . 77 ASP HN . 26545 1 645 . 1 1 77 77 ASP HA H 1 4.441 0.014 . 1 . . . . 77 ASP HA . 26545 1 646 . 1 1 77 77 ASP HB2 H 1 2.538 0 . 1 . . . . 77 ASP HB2 . 26545 1 647 . 1 1 77 77 ASP HB3 H 1 2.538 0 . 1 . . . . 77 ASP HB3 . 26545 1 648 . 1 1 77 77 ASP C C 13 177.184 0 . 1 . . . . 77 ASP C . 26545 1 649 . 1 1 77 77 ASP CA C 13 54.029 0.129 . 1 . . . . 77 ASP CA . 26545 1 650 . 1 1 77 77 ASP CB C 13 41.044 0.051 . 1 . . . . 77 ASP CB . 26545 1 651 . 1 1 77 77 ASP N N 15 120.075 0.015 . 1 . . . . 77 ASP N . 26545 1 652 . 1 1 78 78 GLY H H 1 8.442 0.009 . 1 . . . . 78 GLY HN . 26545 1 653 . 1 1 78 78 GLY HA2 H 1 3.877 0 . 1 . . . . 78 GLY HA2 . 26545 1 654 . 1 1 78 78 GLY HA3 H 1 3.877 0 . 1 . . . . 78 GLY HA3 . 26545 1 655 . 1 1 78 78 GLY C C 13 174.719 0 . 1 . . . . 78 GLY C . 26545 1 656 . 1 1 78 78 GLY CA C 13 45.383 0.028 . 1 . . . . 78 GLY CA . 26545 1 657 . 1 1 78 78 GLY N N 15 109.66 0.04 . 1 . . . . 78 GLY N . 26545 1 658 . 1 1 79 79 SER H H 1 8.18 0.002 . 1 . . . . 79 SER HN . 26545 1 659 . 1 1 79 79 SER HA H 1 4.203 0 . 1 . . . . 79 SER HA . 26545 1 660 . 1 1 79 79 SER C C 13 174.405 0 . 1 . . . . 79 SER C . 26545 1 661 . 1 1 79 79 SER CA C 13 58.819 0.084 . 1 . . . . 79 SER CA . 26545 1 662 . 1 1 79 79 SER CB C 13 63.805 0.008 . 1 . . . . 79 SER CB . 26545 1 663 . 1 1 79 79 SER N N 15 115.783 0.042 . 1 . . . . 79 SER N . 26545 1 664 . 1 1 80 80 ASP H H 1 8.399 0.006 . 1 . . . . 80 ASP HN . 26545 1 665 . 1 1 80 80 ASP HA H 1 4.438 0.013 . 1 . . . . 80 ASP HA . 26545 1 666 . 1 1 80 80 ASP HB2 H 1 2.46 0 . 1 . . . . 80 ASP HB2 . 26545 1 667 . 1 1 80 80 ASP HB3 H 1 2.46 0 . 1 . . . . 80 ASP HB3 . 26545 1 668 . 1 1 80 80 ASP C C 13 176.162 0 . 1 . . . . 80 ASP C . 26545 1 669 . 1 1 80 80 ASP CA C 13 54.923 0 . 1 . . . . 80 ASP CA . 26545 1 670 . 1 1 80 80 ASP CB C 13 40.732 0 . 1 . . . . 80 ASP CB . 26545 1 671 . 1 1 80 80 ASP N N 15 122.042 0.086 . 1 . . . . 80 ASP N . 26545 1 672 . 1 1 81 81 VAL H H 1 7.883 0.007 . 1 . . . . 81 VAL HN . 26545 1 673 . 1 1 81 81 VAL HA H 1 3.89 0.002 . 1 . . . . 81 VAL HA . 26545 1 674 . 1 1 81 81 VAL HB H 1 1.893 0 . 1 . . . . 81 VAL HB . 26545 1 675 . 1 1 81 81 VAL HG11 H 1 0.739 0 . 2 . . . . 81 VAL HG1 . 26545 1 676 . 1 1 81 81 VAL HG12 H 1 0.739 0 . 2 . . . . 81 VAL HG1 . 26545 1 677 . 1 1 81 81 VAL HG13 H 1 0.739 0 . 2 . . . . 81 VAL HG1 . 26545 1 678 . 1 1 81 81 VAL C C 13 176.283 0 . 1 . . . . 81 VAL C . 26545 1 679 . 1 1 81 81 VAL CA C 13 62.485 0.101 . 1 . . . . 81 VAL CA . 26545 1 680 . 1 1 81 81 VAL CB C 13 32.318 0.008 . 1 . . . . 81 VAL CB . 26545 1 681 . 1 1 81 81 VAL CG1 C 13 20.99 0 . 1 . . . . 81 VAL CG1 . 26545 1 682 . 1 1 81 81 VAL N N 15 120.396 0.058 . 1 . . . . 81 VAL N . 26545 1 683 . 1 1 82 82 LYS H H 1 8.265 0.002 . 1 . . . . 82 LYS HN . 26545 1 684 . 1 1 82 82 LYS HA H 1 4.126 0.004 . 1 . . . . 82 LYS HA . 26545 1 685 . 1 1 82 82 LYS HB2 H 1 1.59 0 . 1 . . . . 82 LYS HB2 . 26545 1 686 . 1 1 82 82 LYS HB3 H 1 1.59 0 . 1 . . . . 82 LYS HB3 . 26545 1 687 . 1 1 82 82 LYS C C 13 176.646 0 . 1 . . . . 82 LYS C . 26545 1 688 . 1 1 82 82 LYS CA C 13 56.173 0.06 . 1 . . . . 82 LYS CA . 26545 1 689 . 1 1 82 82 LYS CB C 13 32.816 0.039 . 1 . . . . 82 LYS CB . 26545 1 690 . 1 1 82 82 LYS CG C 13 24.902 0 . 1 . . . . 82 LYS CG . 26545 1 691 . 1 1 82 82 LYS CD C 13 29.088 0 . 1 . . . . 82 LYS CD . 26545 1 692 . 1 1 82 82 LYS CE C 13 42.426 0 . 1 . . . . 82 LYS CE . 26545 1 693 . 1 1 82 82 LYS N N 15 125.189 0.037 . 1 . . . . 82 LYS N . 26545 1 694 . 1 1 83 83 GLU H H 1 8.282 0.01 . 1 . . . . 83 GLU HN . 26545 1 695 . 1 1 83 83 GLU HA H 1 4.102 0.011 . 1 . . . . 83 GLU HA . 26545 1 696 . 1 1 83 83 GLU HB2 H 1 1.766 0 . 1 . . . . 83 GLU HB2 . 26545 1 697 . 1 1 83 83 GLU HB3 H 1 1.766 0 . 1 . . . . 83 GLU HB3 . 26545 1 698 . 1 1 83 83 GLU C C 13 176.359 0 . 1 . . . . 83 GLU C . 26545 1 699 . 1 1 83 83 GLU CA C 13 56.549 0.026 . 1 . . . . 83 GLU CA . 26545 1 700 . 1 1 83 83 GLU CB C 13 29.958 0.13 . 1 . . . . 83 GLU CB . 26545 1 701 . 1 1 83 83 GLU CG C 13 36.481 0 . 1 . . . . 83 GLU CG . 26545 1 702 . 1 1 83 83 GLU N N 15 122.179 0.025 . 1 . . . . 83 GLU N . 26545 1 703 . 1 1 84 84 LYS H H 1 8.349 0.011 . 1 . . . . 84 LYS HN . 26545 1 704 . 1 1 84 84 LYS HA H 1 4.162 0.01 . 1 . . . . 84 LYS HA . 26545 1 705 . 1 1 84 84 LYS HB2 H 1 1.59 0 . 1 . . . . 84 LYS HB2 . 26545 1 706 . 1 1 84 84 LYS HB3 H 1 1.59 0 . 1 . . . . 84 LYS HB3 . 26545 1 707 . 1 1 84 84 LYS C C 13 176.587 0 . 1 . . . . 84 LYS C . 26545 1 708 . 1 1 84 84 LYS CA C 13 56.228 0.232 . 1 . . . . 84 LYS CA . 26545 1 709 . 1 1 84 84 LYS CB C 13 32.912 0.079 . 1 . . . . 84 LYS CB . 26545 1 710 . 1 1 84 84 LYS CG C 13 24.941 0 . 1 . . . . 84 LYS CG . 26545 1 711 . 1 1 84 84 LYS CD C 13 29.283 0 . 1 . . . . 84 LYS CD . 26545 1 712 . 1 1 84 84 LYS CE C 13 41.88 0 . 1 . . . . 84 LYS CE . 26545 1 713 . 1 1 84 84 LYS N N 15 123.169 0.013 . 1 . . . . 84 LYS N . 26545 1 714 . 1 1 85 85 THR H H 1 8.184 0.002 . 1 . . . . 85 THR HN . 26545 1 715 . 1 1 85 85 THR HA H 1 4.335 0 . 1 . . . . 85 THR HA . 26545 1 716 . 1 1 85 85 THR CA C 13 60.012 0 . 1 . . . . 85 THR CA . 26545 1 717 . 1 1 85 85 THR CB C 13 69.66 0 . 1 . . . . 85 THR CB . 26545 1 718 . 1 1 85 85 THR N N 15 118.774 0.049 . 1 . . . . 85 THR N . 26545 1 719 . 1 1 87 87 PRO HA H 1 4.23 0 . 1 . . . . 87 PRO HA . 26545 1 720 . 1 1 87 87 PRO HB2 H 1 2.088 0 . 1 . . . . 87 PRO HB2 . 26545 1 721 . 1 1 87 87 PRO HB3 H 1 2.088 0 . 1 . . . . 87 PRO HB3 . 26545 1 722 . 1 1 87 87 PRO HG2 H 1 1.639 0 . 1 . . . . 87 PRO HG2 . 26545 1 723 . 1 1 87 87 PRO HG3 H 1 1.639 0 . 1 . . . . 87 PRO HG3 . 26545 1 724 . 1 1 87 87 PRO C C 13 176.287 0 . 1 . . . . 87 PRO C . 26545 1 725 . 1 1 87 87 PRO CA C 13 62.715 0.03 . 1 . . . . 87 PRO CA . 26545 1 726 . 1 1 87 87 PRO CB C 13 31.867 0.008 . 1 . . . . 87 PRO CB . 26545 1 727 . 1 1 87 87 PRO CG C 13 27.445 0 . 1 . . . . 87 PRO CG . 26545 1 728 . 1 1 87 87 PRO CD C 13 50.132 0 . 1 . . . . 87 PRO CD . 26545 1 729 . 1 1 88 88 ASN H H 1 8.48 0.002 . 1 . . . . 88 ASN HN . 26545 1 730 . 1 1 88 88 ASN HA H 1 4.733 0 . 1 . . . . 88 ASN HA . 26545 1 731 . 1 1 88 88 ASN CA C 13 51.083 0 . 1 . . . . 88 ASN CA . 26545 1 732 . 1 1 88 88 ASN CB C 13 38.557 0 . 1 . . . . 88 ASN CB . 26545 1 733 . 1 1 88 88 ASN N N 15 119.948 0.056 . 1 . . . . 88 ASN N . 26545 1 734 . 1 1 89 89 PRO HA H 1 4.152 0 . 1 . . . . 89 PRO HA . 26545 1 735 . 1 1 89 89 PRO HB2 H 1 2.088 0 . 1 . . . . 89 PRO HB2 . 26545 1 736 . 1 1 89 89 PRO HB3 H 1 2.088 0 . 1 . . . . 89 PRO HB3 . 26545 1 737 . 1 1 89 89 PRO C C 13 173.747 0 . 1 . . . . 89 PRO C . 26545 1 738 . 1 1 89 89 PRO CA C 13 63.471 0 . 1 . . . . 89 PRO CA . 26545 1 739 . 1 1 89 89 PRO CB C 13 31.913 0 . 1 . . . . 89 PRO CB . 26545 1 740 . 1 1 89 89 PRO CG C 13 27.327 0 . 1 . . . . 89 PRO CG . 26545 1 741 . 1 1 89 89 PRO CD C 13 51.149 0 . 1 . . . . 89 PRO CD . 26545 1 742 . 1 1 90 90 LYS H H 1 8.21 0.007 . 1 . . . . 90 LYS HN . 26545 1 743 . 1 1 90 90 LYS HA H 1 3.979 0.013 . 1 . . . . 90 LYS HA . 26545 1 744 . 1 1 90 90 LYS HB2 H 1 1.492 0 . 1 . . . . 90 LYS HB2 . 26545 1 745 . 1 1 90 90 LYS HB3 H 1 1.492 0 . 1 . . . . 90 LYS HB3 . 26545 1 746 . 1 1 90 90 LYS C C 13 176.64 0 . 1 . . . . 90 LYS C . 26545 1 747 . 1 1 90 90 LYS CA C 13 56.601 0.034 . 1 . . . . 90 LYS CA . 26545 1 748 . 1 1 90 90 LYS CB C 13 32.455 0.036 . 1 . . . . 90 LYS CB . 26545 1 749 . 1 1 90 90 LYS CG C 13 25.254 0 . 1 . . . . 90 LYS CG . 26545 1 750 . 1 1 90 90 LYS CD C 13 29.44 0 . 1 . . . . 90 LYS CD . 26545 1 751 . 1 1 90 90 LYS CE C 13 42.622 0 . 1 . . . . 90 LYS CE . 26545 1 752 . 1 1 90 90 LYS N N 15 120.221 0.073 . 1 . . . . 90 LYS N . 26545 1 753 . 1 1 91 91 HIS H H 1 8.039 0.008 . 1 . . . . 91 HIS HN . 26545 1 754 . 1 1 91 91 HIS HA H 1 4.492 0.007 . 1 . . . . 91 HIS HA . 26545 1 755 . 1 1 91 91 HIS HB2 H 1 2.92 0 . 1 . . . . 91 HIS HB2 . 26545 1 756 . 1 1 91 91 HIS HB3 H 1 2.92 0 . 1 . . . . 91 HIS HB3 . 26545 1 757 . 1 1 91 91 HIS C C 13 174.861 0 . 1 . . . . 91 HIS C . 26545 1 758 . 1 1 91 91 HIS CA C 13 55.385 0.084 . 1 . . . . 91 HIS CA . 26545 1 759 . 1 1 91 91 HIS CB C 13 30.2 0.063 . 1 . . . . 91 HIS CB . 26545 1 760 . 1 1 91 91 HIS N N 15 119.441 0.034 . 1 . . . . 91 HIS N . 26545 1 761 . 1 1 92 92 ALA H H 1 8.137 0.01 . 1 . . . . 92 ALA HN . 26545 1 762 . 1 1 92 92 ALA HA H 1 4.106 0.003 . 1 . . . . 92 ALA HA . 26545 1 763 . 1 1 92 92 ALA HB1 H 1 1.189 0 . 1 . . . . 92 ALA HB . 26545 1 764 . 1 1 92 92 ALA HB2 H 1 1.189 0 . 1 . . . . 92 ALA HB . 26545 1 765 . 1 1 92 92 ALA HB3 H 1 1.189 0 . 1 . . . . 92 ALA HB . 26545 1 766 . 1 1 92 92 ALA C C 13 177.624 0 . 1 . . . . 92 ALA C . 26545 1 767 . 1 1 92 92 ALA CA C 13 52.545 0.114 . 1 . . . . 92 ALA CA . 26545 1 768 . 1 1 92 92 ALA CB C 13 19.128 0.092 . 1 . . . . 92 ALA CB . 26545 1 769 . 1 1 92 92 ALA N N 15 125.299 0.058 . 1 . . . . 92 ALA N . 26545 1 770 . 1 1 93 93 LYS H H 1 8.356 0.004 . 1 . . . . 93 LYS HN . 26545 1 771 . 1 1 93 93 LYS HA H 1 4.2 0.019 . 1 . . . . 93 LYS HA . 26545 1 772 . 1 1 93 93 LYS HB2 H 1 1.629 0 . 1 . . . . 93 LYS HB2 . 26545 1 773 . 1 1 93 93 LYS HB3 H 1 1.629 0 . 1 . . . . 93 LYS HB3 . 26545 1 774 . 1 1 93 93 LYS C C 13 176.932 0 . 1 . . . . 93 LYS C . 26545 1 775 . 1 1 93 93 LYS CA C 13 56.318 0.081 . 1 . . . . 93 LYS CA . 26545 1 776 . 1 1 93 93 LYS CB C 13 32.889 0.046 . 1 . . . . 93 LYS CB . 26545 1 777 . 1 1 93 93 LYS CG C 13 24.941 0 . 1 . . . . 93 LYS CG . 26545 1 778 . 1 1 93 93 LYS CD C 13 29.518 0 . 1 . . . . 93 LYS CD . 26545 1 779 . 1 1 93 93 LYS CE C 13 41.879 0 . 1 . . . . 93 LYS CE . 26545 1 780 . 1 1 93 93 LYS N N 15 121.2 0.055 . 1 . . . . 93 LYS N . 26545 1 781 . 1 1 94 94 THR H H 1 8.123 0.007 . 1 . . . . 94 THR HN . 26545 1 782 . 1 1 94 94 THR HA H 1 4.107 0.023 . 1 . . . . 94 THR HA . 26545 1 783 . 1 1 94 94 THR HG21 H 1 1.062 0 . 1 . . . . 94 THR HG2 . 26545 1 784 . 1 1 94 94 THR HG22 H 1 1.062 0 . 1 . . . . 94 THR HG2 . 26545 1 785 . 1 1 94 94 THR HG23 H 1 1.062 0 . 1 . . . . 94 THR HG2 . 26545 1 786 . 1 1 94 94 THR C C 13 174.412 0 . 1 . . . . 94 THR C . 26545 1 787 . 1 1 94 94 THR CA C 13 61.851 0.196 . 1 . . . . 94 THR CA . 26545 1 788 . 1 1 94 94 THR CB C 13 69.811 0.077 . 1 . . . . 94 THR CB . 26545 1 789 . 1 1 94 94 THR N N 15 116.338 0.034 . 1 . . . . 94 THR N . 26545 1 790 . 1 1 95 95 LYS H H 1 8.338 0.004 . 1 . . . . 95 LYS HN . 26545 1 791 . 1 1 95 95 LYS HA H 1 4.113 0.01 . 1 . . . . 95 LYS HA . 26545 1 792 . 1 1 95 95 LYS HB2 H 1 1.639 0 . 1 . . . . 95 LYS HB2 . 26545 1 793 . 1 1 95 95 LYS HB3 H 1 1.639 0 . 1 . . . . 95 LYS HB3 . 26545 1 794 . 1 1 95 95 LYS C C 13 176.534 0 . 1 . . . . 95 LYS C . 26545 1 795 . 1 1 95 95 LYS CA C 13 56.259 0.186 . 1 . . . . 95 LYS CA . 26545 1 796 . 1 1 95 95 LYS CB C 13 32.93 0.028 . 1 . . . . 95 LYS CB . 26545 1 797 . 1 1 95 95 LYS CG C 13 24.746 0 . 1 . . . . 95 LYS CG . 26545 1 798 . 1 1 95 95 LYS N N 15 123.813 0.246 . 1 . . . . 95 LYS N . 26545 1 799 . 1 1 96 96 GLU H H 1 8.445 0.009 . 1 . . . . 96 GLU HN . 26545 1 800 . 1 1 96 96 GLU HA H 1 4.091 0.002 . 1 . . . . 96 GLU HA . 26545 1 801 . 1 1 96 96 GLU HB2 H 1 1.805 0 . 1 . . . . 96 GLU HB2 . 26545 1 802 . 1 1 96 96 GLU HB3 H 1 1.805 0 . 1 . . . . 96 GLU HB3 . 26545 1 803 . 1 1 96 96 GLU C C 13 176.299 0 . 1 . . . . 96 GLU C . 26545 1 804 . 1 1 96 96 GLU CA C 13 56.334 0.112 . 1 . . . . 96 GLU CA . 26545 1 805 . 1 1 96 96 GLU CB C 13 30.227 0.106 . 1 . . . . 96 GLU CB . 26545 1 806 . 1 1 96 96 GLU CG C 13 36.363 0 . 1 . . . . 96 GLU CG . 26545 1 807 . 1 1 96 96 GLU N N 15 122.916 0.024 . 1 . . . . 96 GLU N . 26545 1 808 . 1 1 97 97 ALA H H 1 8.343 0.008 . 1 . . . . 97 ALA HN . 26545 1 809 . 1 1 97 97 ALA HA H 1 4.122 0.008 . 1 . . . . 97 ALA HA . 26545 1 810 . 1 1 97 97 ALA HB1 H 1 1.238 0 . 1 . . . . 97 ALA HB . 26545 1 811 . 1 1 97 97 ALA HB2 H 1 1.238 0 . 1 . . . . 97 ALA HB . 26545 1 812 . 1 1 97 97 ALA HB3 H 1 1.238 0 . 1 . . . . 97 ALA HB . 26545 1 813 . 1 1 97 97 ALA C C 13 178.473 0 . 1 . . . . 97 ALA C . 26545 1 814 . 1 1 97 97 ALA CA C 13 52.906 0.025 . 1 . . . . 97 ALA CA . 26545 1 815 . 1 1 97 97 ALA CB C 13 19.046 0.026 . 1 . . . . 97 ALA CB . 26545 1 816 . 1 1 97 97 ALA N N 15 125.14 0.045 . 1 . . . . 97 ALA N . 26545 1 817 . 1 1 98 98 GLY H H 1 8.3 0.006 . 1 . . . . 98 GLY HN . 26545 1 818 . 1 1 98 98 GLY HA2 H 1 3.802 0 . 1 . . . . 98 GLY HA2 . 26545 1 819 . 1 1 98 98 GLY HA3 H 1 3.802 0 . 1 . . . . 98 GLY HA3 . 26545 1 820 . 1 1 98 98 GLY C C 13 174.062 0 . 1 . . . . 98 GLY C . 26545 1 821 . 1 1 98 98 GLY CA C 13 45.284 0.073 . 1 . . . . 98 GLY CA . 26545 1 822 . 1 1 98 98 GLY N N 15 108.173 0.035 . 1 . . . . 98 GLY N . 26545 1 823 . 1 1 99 99 ASP H H 1 8.139 0.026 . 1 . . . . 99 ASP HN . 26545 1 824 . 1 1 99 99 ASP HA H 1 4.446 0.01 . 1 . . . . 99 ASP HA . 26545 1 825 . 1 1 99 99 ASP HB2 H 1 2.519 0 . 1 . . . . 99 ASP HB2 . 26545 1 826 . 1 1 99 99 ASP HB3 H 1 2.519 0 . 1 . . . . 99 ASP HB3 . 26545 1 827 . 1 1 99 99 ASP C C 13 177.015 0 . 1 . . . . 99 ASP C . 26545 1 828 . 1 1 99 99 ASP CA C 13 54.38 0.144 . 1 . . . . 99 ASP CA . 26545 1 829 . 1 1 99 99 ASP CB C 13 41.128 0.057 . 1 . . . . 99 ASP CB . 26545 1 830 . 1 1 99 99 ASP N N 15 120.196 0.074 . 1 . . . . 99 ASP N . 26545 1 831 . 1 1 100 100 GLY H H 1 8.357 0.004 . 1 . . . . 100 GLY HN . 26545 1 832 . 1 1 100 100 GLY HA2 H 1 3.763 0.012 . 1 . . . . 100 GLY HA2 . 26545 1 833 . 1 1 100 100 GLY HA3 H 1 3.763 0.012 . 1 . . . . 100 GLY HA3 . 26545 1 834 . 1 1 100 100 GLY C C 13 173.968 0 . 1 . . . . 100 GLY C . 26545 1 835 . 1 1 100 100 GLY CA C 13 45.281 0.001 . 1 . . . . 100 GLY CA . 26545 1 836 . 1 1 100 100 GLY N N 15 109.305 0.012 . 1 . . . . 100 GLY N . 26545 1 837 . 1 1 101 101 GLN H H 1 8.058 0.005 . 1 . . . . 101 GLN HN . 26545 1 838 . 1 1 101 101 GLN HA H 1 4.444 0 . 1 . . . . 101 GLN HA . 26545 1 839 . 1 1 101 101 GLN CA C 13 53.43 0 . 1 . . . . 101 GLN CA . 26545 1 840 . 1 1 101 101 GLN CB C 13 28.661 0 . 1 . . . . 101 GLN CB . 26545 1 stop_ save_