data_27798 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27798 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of a mutated variant of UBE2S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-22 _Entry.Accession_date 2019-02-22 _Entry.Last_release_date 2019-02-22 _Entry.Original_release_date 2019-02-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Kristian Schweimer . . . . 27798 2 Anna Liess . K.L. . . 27798 3 Sonja Lorenz . . . . 27798 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Dept. of Biopolymers, Univesitaet Bayreuth' . 27798 2 . 'Rudolf-Virchow-Zentrum, Universitaet Wuerzburg' . 27798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 27798 '15N chemical shifts' 137 27798 '1H chemical shifts' 137 27798 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-09-20 2019-02-22 update BMRB 'update entry citation' 27798 1 . . 2019-06-27 2019-02-22 original author 'original release' 27798 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17437 '1H, 13C and 15N backbone chemical shift assignments of the UBC domain of Ube2S WT' 27798 BMRB 27799 '1H, 13C and 15N backbone chemical shift assignments of an Ube2S-ubiquitin -conjugate' 27798 PDB 1zdn 'Crystall structure of the UBC domain of the Ubiquitin-conjugating enzyme E2S WT' 27798 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27798 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31230944 _Citation.Full_citation . _Citation.Title ; Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 8 _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 1195 _Citation.Page_last 1210 _Citation.Year 2019 _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 Anna Liess . . . . 27798 1 2 Alena Kucerova A. . . . 27798 1 3 Kristian Schweimer K. . . . 27798 1 4 Lu Yu L. . . . 27798 1 5 Theodoros Roumeliotis T. I. . . 27798 1 6 Mathias Diebold M. . . . 27798 1 7 Olexandr Dybkov O. . . . 27798 1 8 Christoph Sotriffer C. . . . 27798 1 9 Henning Urlaub H. . . . 27798 1 10 Jyoti Choudhary J. S. . . 27798 1 11 Jorg Mansfeld J. . . . 27798 1 12 Sonja Lorenz S. . . . 27798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27798 _Assembly.ID 1 _Assembly.Name 'UBE2S monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17355.96 _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 'UBE2S UBC' 1 $UBE2S A . yes native no no . . . 27798 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1zdn . . X-ray 1.93 'Structure of the WT protein' . 27798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBE2S _Entity.Sf_category entity _Entity.Sf_framecode UBE2S _Entity.Entry_ID 27798 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBE2S _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 ; MNSNVENLPPHIIRLVYKEV TTLTADPPDGIKVFPNEEDL TDLQVTIEGPEGTPYAGGLF RMKLLLGKDFPASPPKGYFL TKIFHPNVGANGEISVNVLC RDWTAELGIRHVLLTIKMLL IHPNPESALNEEAGRLLLEN YEEYAARARLLTEIHG ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'UBC domain, residues 1-156' _Entity.Mutation 'C95S, K100C, C118M' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1zdn . Ube2S . . . . . . . . . . . . . . 27798 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin-conjugating enzyme, catalytic domain' 27798 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27798 1 2 2 ASN . 27798 1 3 3 SER . 27798 1 4 4 ASN . 27798 1 5 5 VAL . 27798 1 6 6 GLU . 27798 1 7 7 ASN . 27798 1 8 8 LEU . 27798 1 9 9 PRO . 27798 1 10 10 PRO . 27798 1 11 11 HIS . 27798 1 12 12 ILE . 27798 1 13 13 ILE . 27798 1 14 14 ARG . 27798 1 15 15 LEU . 27798 1 16 16 VAL . 27798 1 17 17 TYR . 27798 1 18 18 LYS . 27798 1 19 19 GLU . 27798 1 20 20 VAL . 27798 1 21 21 THR . 27798 1 22 22 THR . 27798 1 23 23 LEU . 27798 1 24 24 THR . 27798 1 25 25 ALA . 27798 1 26 26 ASP . 27798 1 27 27 PRO . 27798 1 28 28 PRO . 27798 1 29 29 ASP . 27798 1 30 30 GLY . 27798 1 31 31 ILE . 27798 1 32 32 LYS . 27798 1 33 33 VAL . 27798 1 34 34 PHE . 27798 1 35 35 PRO . 27798 1 36 36 ASN . 27798 1 37 37 GLU . 27798 1 38 38 GLU . 27798 1 39 39 ASP . 27798 1 40 40 LEU . 27798 1 41 41 THR . 27798 1 42 42 ASP . 27798 1 43 43 LEU . 27798 1 44 44 GLN . 27798 1 45 45 VAL . 27798 1 46 46 THR . 27798 1 47 47 ILE . 27798 1 48 48 GLU . 27798 1 49 49 GLY . 27798 1 50 50 PRO . 27798 1 51 51 GLU . 27798 1 52 52 GLY . 27798 1 53 53 THR . 27798 1 54 54 PRO . 27798 1 55 55 TYR . 27798 1 56 56 ALA . 27798 1 57 57 GLY . 27798 1 58 58 GLY . 27798 1 59 59 LEU . 27798 1 60 60 PHE . 27798 1 61 61 ARG . 27798 1 62 62 MET . 27798 1 63 63 LYS . 27798 1 64 64 LEU . 27798 1 65 65 LEU . 27798 1 66 66 LEU . 27798 1 67 67 GLY . 27798 1 68 68 LYS . 27798 1 69 69 ASP . 27798 1 70 70 PHE . 27798 1 71 71 PRO . 27798 1 72 72 ALA . 27798 1 73 73 SER . 27798 1 74 74 PRO . 27798 1 75 75 PRO . 27798 1 76 76 LYS . 27798 1 77 77 GLY . 27798 1 78 78 TYR . 27798 1 79 79 PHE . 27798 1 80 80 LEU . 27798 1 81 81 THR . 27798 1 82 82 LYS . 27798 1 83 83 ILE . 27798 1 84 84 PHE . 27798 1 85 85 HIS . 27798 1 86 86 PRO . 27798 1 87 87 ASN . 27798 1 88 88 VAL . 27798 1 89 89 GLY . 27798 1 90 90 ALA . 27798 1 91 91 ASN . 27798 1 92 92 GLY . 27798 1 93 93 GLU . 27798 1 94 94 ILE . 27798 1 95 95 SER . 27798 1 96 96 VAL . 27798 1 97 97 ASN . 27798 1 98 98 VAL . 27798 1 99 99 LEU . 27798 1 100 100 CYS . 27798 1 101 101 ARG . 27798 1 102 102 ASP . 27798 1 103 103 TRP . 27798 1 104 104 THR . 27798 1 105 105 ALA . 27798 1 106 106 GLU . 27798 1 107 107 LEU . 27798 1 108 108 GLY . 27798 1 109 109 ILE . 27798 1 110 110 ARG . 27798 1 111 111 HIS . 27798 1 112 112 VAL . 27798 1 113 113 LEU . 27798 1 114 114 LEU . 27798 1 115 115 THR . 27798 1 116 116 ILE . 27798 1 117 117 LYS . 27798 1 118 118 MET . 27798 1 119 119 LEU . 27798 1 120 120 LEU . 27798 1 121 121 ILE . 27798 1 122 122 HIS . 27798 1 123 123 PRO . 27798 1 124 124 ASN . 27798 1 125 125 PRO . 27798 1 126 126 GLU . 27798 1 127 127 SER . 27798 1 128 128 ALA . 27798 1 129 129 LEU . 27798 1 130 130 ASN . 27798 1 131 131 GLU . 27798 1 132 132 GLU . 27798 1 133 133 ALA . 27798 1 134 134 GLY . 27798 1 135 135 ARG . 27798 1 136 136 LEU . 27798 1 137 137 LEU . 27798 1 138 138 LEU . 27798 1 139 139 GLU . 27798 1 140 140 ASN . 27798 1 141 141 TYR . 27798 1 142 142 GLU . 27798 1 143 143 GLU . 27798 1 144 144 TYR . 27798 1 145 145 ALA . 27798 1 146 146 ALA . 27798 1 147 147 ARG . 27798 1 148 148 ALA . 27798 1 149 149 ARG . 27798 1 150 150 LEU . 27798 1 151 151 LEU . 27798 1 152 152 THR . 27798 1 153 153 GLU . 27798 1 154 154 ILE . 27798 1 155 155 HIS . 27798 1 156 156 GLY . 27798 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 27798 1 . ASN 2 2 27798 1 . SER 3 3 27798 1 . ASN 4 4 27798 1 . VAL 5 5 27798 1 . GLU 6 6 27798 1 . ASN 7 7 27798 1 . LEU 8 8 27798 1 . PRO 9 9 27798 1 . PRO 10 10 27798 1 . HIS 11 11 27798 1 . ILE 12 12 27798 1 . ILE 13 13 27798 1 . ARG 14 14 27798 1 . LEU 15 15 27798 1 . VAL 16 16 27798 1 . TYR 17 17 27798 1 . LYS 18 18 27798 1 . GLU 19 19 27798 1 . VAL 20 20 27798 1 . THR 21 21 27798 1 . THR 22 22 27798 1 . LEU 23 23 27798 1 . THR 24 24 27798 1 . ALA 25 25 27798 1 . ASP 26 26 27798 1 . PRO 27 27 27798 1 . PRO 28 28 27798 1 . ASP 29 29 27798 1 . GLY 30 30 27798 1 . ILE 31 31 27798 1 . LYS 32 32 27798 1 . VAL 33 33 27798 1 . PHE 34 34 27798 1 . PRO 35 35 27798 1 . ASN 36 36 27798 1 . GLU 37 37 27798 1 . GLU 38 38 27798 1 . ASP 39 39 27798 1 . LEU 40 40 27798 1 . THR 41 41 27798 1 . ASP 42 42 27798 1 . LEU 43 43 27798 1 . GLN 44 44 27798 1 . VAL 45 45 27798 1 . THR 46 46 27798 1 . ILE 47 47 27798 1 . GLU 48 48 27798 1 . GLY 49 49 27798 1 . PRO 50 50 27798 1 . GLU 51 51 27798 1 . GLY 52 52 27798 1 . THR 53 53 27798 1 . PRO 54 54 27798 1 . TYR 55 55 27798 1 . ALA 56 56 27798 1 . GLY 57 57 27798 1 . GLY 58 58 27798 1 . LEU 59 59 27798 1 . PHE 60 60 27798 1 . ARG 61 61 27798 1 . MET 62 62 27798 1 . LYS 63 63 27798 1 . LEU 64 64 27798 1 . LEU 65 65 27798 1 . LEU 66 66 27798 1 . GLY 67 67 27798 1 . LYS 68 68 27798 1 . ASP 69 69 27798 1 . PHE 70 70 27798 1 . PRO 71 71 27798 1 . ALA 72 72 27798 1 . SER 73 73 27798 1 . PRO 74 74 27798 1 . PRO 75 75 27798 1 . LYS 76 76 27798 1 . GLY 77 77 27798 1 . TYR 78 78 27798 1 . PHE 79 79 27798 1 . LEU 80 80 27798 1 . THR 81 81 27798 1 . LYS 82 82 27798 1 . ILE 83 83 27798 1 . PHE 84 84 27798 1 . HIS 85 85 27798 1 . PRO 86 86 27798 1 . ASN 87 87 27798 1 . VAL 88 88 27798 1 . GLY 89 89 27798 1 . ALA 90 90 27798 1 . ASN 91 91 27798 1 . GLY 92 92 27798 1 . GLU 93 93 27798 1 . ILE 94 94 27798 1 . SER 95 95 27798 1 . VAL 96 96 27798 1 . ASN 97 97 27798 1 . VAL 98 98 27798 1 . LEU 99 99 27798 1 . CYS 100 100 27798 1 . ARG 101 101 27798 1 . ASP 102 102 27798 1 . TRP 103 103 27798 1 . THR 104 104 27798 1 . ALA 105 105 27798 1 . GLU 106 106 27798 1 . LEU 107 107 27798 1 . GLY 108 108 27798 1 . ILE 109 109 27798 1 . ARG 110 110 27798 1 . HIS 111 111 27798 1 . VAL 112 112 27798 1 . LEU 113 113 27798 1 . LEU 114 114 27798 1 . THR 115 115 27798 1 . ILE 116 116 27798 1 . LYS 117 117 27798 1 . MET 118 118 27798 1 . LEU 119 119 27798 1 . LEU 120 120 27798 1 . ILE 121 121 27798 1 . HIS 122 122 27798 1 . PRO 123 123 27798 1 . ASN 124 124 27798 1 . PRO 125 125 27798 1 . GLU 126 126 27798 1 . SER 127 127 27798 1 . ALA 128 128 27798 1 . LEU 129 129 27798 1 . ASN 130 130 27798 1 . GLU 131 131 27798 1 . GLU 132 132 27798 1 . ALA 133 133 27798 1 . GLY 134 134 27798 1 . ARG 135 135 27798 1 . LEU 136 136 27798 1 . LEU 137 137 27798 1 . LEU 138 138 27798 1 . GLU 139 139 27798 1 . ASN 140 140 27798 1 . TYR 141 141 27798 1 . GLU 142 142 27798 1 . GLU 143 143 27798 1 . TYR 144 144 27798 1 . ALA 145 145 27798 1 . ALA 146 146 27798 1 . ARG 147 147 27798 1 . ALA 148 148 27798 1 . ARG 149 149 27798 1 . LEU 150 150 27798 1 . LEU 151 151 27798 1 . THR 152 152 27798 1 . GLU 153 153 27798 1 . ILE 154 154 27798 1 . HIS 155 155 27798 1 . GLY 156 156 27798 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 27798 _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 $UBE2S . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27798 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 27798 _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 $UBE2S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'modified pSKB2 vector' . . 'For vector details, see Wickliffe et al., Cell 2011' 27798 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27798 _Sample.ID 1 _Sample.Name . _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 UBE2S '[U-100% 13C; U-100% 15N]' . . 1 $UBE2S . . 0.6 . . mM . . . . 27798 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 27798 1 3 'sodium phosphate' 'natural abundance' . . . . . . 75 . . mM . . . . 27798 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27798 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27798 1 6 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27798 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 27798 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 27798 1 pressure 1 . atm 27798 1 temperature 298 . K 27798 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27798 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27798 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27798 1 . 'peak picking' 27798 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 27798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27798 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 CryoProbe . . 27798 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 27798 _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 . . . . . . . . . . . . . . . . 27798 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27798 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27798 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27798 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27798 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27798 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27798 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 27798 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 'separate tube (no insert) similar to the experimental sample tube' . . . . 27798 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 27798 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 27798 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 27798 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27798 1 2 '3D HNCO' . . . 27798 1 3 '3D HNCA' . . . 27798 1 5 '3D HNCACB' . . . 27798 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.04 0.20 . 1 . . . . . 1 MET C . 27798 1 2 . 1 1 1 1 MET CA C 13 56.62 0.20 . 1 . . . . . 1 MET CA . 27798 1 3 . 1 1 1 1 MET CB C 13 30.25 0.20 . 1 . . . . . 1 MET CB . 27798 1 4 . 1 1 2 2 ASN H H 1 8.28 0.03 . 1 . . . . . 2 ASN H . 27798 1 5 . 1 1 2 2 ASN CA C 13 53.26 0.20 . 1 . . . . . 2 ASN CA . 27798 1 6 . 1 1 2 2 ASN CB C 13 39.55 0.20 . 1 . . . . . 2 ASN CB . 27798 1 7 . 1 1 2 2 ASN N N 15 118.80 0.20 . 1 . . . . . 2 ASN N . 27798 1 8 . 1 1 4 4 ASN C C 13 175.55 0.20 . 1 . . . . . 4 ASN C . 27798 1 9 . 1 1 4 4 ASN CA C 13 53.73 0.20 . 1 . . . . . 4 ASN CA . 27798 1 10 . 1 1 4 4 ASN CB C 13 38.82 0.20 . 1 . . . . . 4 ASN CB . 27798 1 11 . 1 1 5 5 VAL H H 1 8.04 0.03 . 1 . . . . . 5 VAL H . 27798 1 12 . 1 1 5 5 VAL C C 13 176.14 0.20 . 1 . . . . . 5 VAL C . 27798 1 13 . 1 1 5 5 VAL CA C 13 62.89 0.20 . 1 . . . . . 5 VAL CA . 27798 1 14 . 1 1 5 5 VAL CB C 13 32.63 0.20 . 1 . . . . . 5 VAL CB . 27798 1 15 . 1 1 5 5 VAL N N 15 119.59 0.20 . 1 . . . . . 5 VAL N . 27798 1 16 . 1 1 6 6 GLU H H 1 8.34 0.03 . 1 . . . . . 6 GLU H . 27798 1 17 . 1 1 6 6 GLU CA C 13 56.62 0.20 . 1 . . . . . 6 GLU CA . 27798 1 18 . 1 1 6 6 GLU CB C 13 30.27 0.20 . 1 . . . . . 6 GLU CB . 27798 1 19 . 1 1 6 6 GLU N N 15 122.82 0.20 . 1 . . . . . 6 GLU N . 27798 1 20 . 1 1 7 7 ASN C C 13 174.94 0.20 . 1 . . . . . 7 ASN C . 27798 1 21 . 1 1 7 7 ASN CA C 13 53.27 0.20 . 1 . . . . . 7 ASN CA . 27798 1 22 . 1 1 7 7 ASN CB C 13 39.53 0.20 . 1 . . . . . 7 ASN CB . 27798 1 23 . 1 1 8 8 LEU H H 1 8.16 0.03 . 1 . . . . . 8 LEU H . 27798 1 24 . 1 1 8 8 LEU CA C 13 52.95 0.20 . 1 . . . . . 8 LEU CA . 27798 1 25 . 1 1 8 8 LEU CB C 13 42.69 0.20 . 1 . . . . . 8 LEU CB . 27798 1 26 . 1 1 8 8 LEU N N 15 121.98 0.20 . 1 . . . . . 8 LEU N . 27798 1 27 . 1 1 11 11 HIS C C 13 177.36 0.20 . 1 . . . . . 11 HIS C . 27798 1 28 . 1 1 11 11 HIS CA C 13 59.12 0.20 . 1 . . . . . 11 HIS CA . 27798 1 29 . 1 1 11 11 HIS CB C 13 29.46 0.20 . 1 . . . . . 11 HIS CB . 27798 1 30 . 1 1 12 12 ILE H H 1 7.06 0.03 . 1 . . . . . 12 ILE H . 27798 1 31 . 1 1 12 12 ILE C C 13 177.63 0.20 . 1 . . . . . 12 ILE C . 27798 1 32 . 1 1 12 12 ILE CA C 13 61.62 0.20 . 1 . . . . . 12 ILE CA . 27798 1 33 . 1 1 12 12 ILE CB C 13 36.22 0.20 . 1 . . . . . 12 ILE CB . 27798 1 34 . 1 1 12 12 ILE N N 15 122.37 0.20 . 1 . . . . . 12 ILE N . 27798 1 35 . 1 1 13 13 ILE H H 1 7.76 0.03 . 1 . . . . . 13 ILE H . 27798 1 36 . 1 1 13 13 ILE C C 13 177.78 0.20 . 1 . . . . . 13 ILE C . 27798 1 37 . 1 1 13 13 ILE CA C 13 64.80 0.20 . 1 . . . . . 13 ILE CA . 27798 1 38 . 1 1 13 13 ILE CB C 13 37.05 0.20 . 1 . . . . . 13 ILE CB . 27798 1 39 . 1 1 13 13 ILE N N 15 121.49 0.20 . 1 . . . . . 13 ILE N . 27798 1 40 . 1 1 14 14 ARG H H 1 7.76 0.03 . 1 . . . . . 14 ARG H . 27798 1 41 . 1 1 14 14 ARG C C 13 178.82 0.20 . 1 . . . . . 14 ARG C . 27798 1 42 . 1 1 14 14 ARG CA C 13 59.68 0.20 . 1 . . . . . 14 ARG CA . 27798 1 43 . 1 1 14 14 ARG CB C 13 30.22 0.20 . 1 . . . . . 14 ARG CB . 27798 1 44 . 1 1 14 14 ARG N N 15 116.80 0.20 . 1 . . . . . 14 ARG N . 27798 1 45 . 1 1 15 15 LEU H H 1 7.41 0.03 . 1 . . . . . 15 LEU H . 27798 1 46 . 1 1 15 15 LEU C C 13 179.93 0.20 . 1 . . . . . 15 LEU C . 27798 1 47 . 1 1 15 15 LEU CA C 13 58.33 0.20 . 1 . . . . . 15 LEU CA . 27798 1 48 . 1 1 15 15 LEU CB C 13 42.42 0.20 . 1 . . . . . 15 LEU CB . 27798 1 49 . 1 1 15 15 LEU N N 15 120.66 0.20 . 1 . . . . . 15 LEU N . 27798 1 50 . 1 1 16 16 VAL H H 1 8.62 0.03 . 1 . . . . . 16 VAL H . 27798 1 51 . 1 1 16 16 VAL C C 13 177.55 0.20 . 1 . . . . . 16 VAL C . 27798 1 52 . 1 1 16 16 VAL CA C 13 67.01 0.20 . 1 . . . . . 16 VAL CA . 27798 1 53 . 1 1 16 16 VAL CB C 13 31.72 0.20 . 1 . . . . . 16 VAL CB . 27798 1 54 . 1 1 16 16 VAL N N 15 121.34 0.20 . 1 . . . . . 16 VAL N . 27798 1 55 . 1 1 17 17 TYR H H 1 8.91 0.03 . 1 . . . . . 17 TYR H . 27798 1 56 . 1 1 17 17 TYR C C 13 178.94 0.20 . 1 . . . . . 17 TYR C . 27798 1 57 . 1 1 17 17 TYR CA C 13 62.14 0.20 . 1 . . . . . 17 TYR CA . 27798 1 58 . 1 1 17 17 TYR CB C 13 38.06 0.20 . 1 . . . . . 17 TYR CB . 27798 1 59 . 1 1 17 17 TYR N N 15 119.87 0.20 . 1 . . . . . 17 TYR N . 27798 1 60 . 1 1 18 18 LYS H H 1 8.14 0.03 . 1 . . . . . 18 LYS H . 27798 1 61 . 1 1 18 18 LYS C C 13 174.00 0.20 . 1 . . . . . 18 LYS C . 27798 1 62 . 1 1 18 18 LYS CA C 13 59.74 0.20 . 1 . . . . . 18 LYS CA . 27798 1 63 . 1 1 18 18 LYS CB C 13 32.40 0.20 . 1 . . . . . 18 LYS CB . 27798 1 64 . 1 1 18 18 LYS N N 15 120.36 0.20 . 1 . . . . . 18 LYS N . 27798 1 65 . 1 1 19 19 GLU H H 1 8.11 0.03 . 1 . . . . . 19 GLU H . 27798 1 66 . 1 1 19 19 GLU C C 13 179.88 0.20 . 1 . . . . . 19 GLU C . 27798 1 67 . 1 1 19 19 GLU CA C 13 59.86 0.20 . 1 . . . . . 19 GLU CA . 27798 1 68 . 1 1 19 19 GLU CB C 13 29.73 0.20 . 1 . . . . . 19 GLU CB . 27798 1 69 . 1 1 19 19 GLU N N 15 120.49 0.20 . 1 . . . . . 19 GLU N . 27798 1 70 . 1 1 20 20 VAL H H 1 9.18 0.03 . 1 . . . . . 20 VAL H . 27798 1 71 . 1 1 20 20 VAL C C 13 178.31 0.20 . 1 . . . . . 20 VAL C . 27798 1 72 . 1 1 20 20 VAL CA C 13 67.47 0.20 . 1 . . . . . 20 VAL CA . 27798 1 73 . 1 1 20 20 VAL CB C 13 31.32 0.20 . 1 . . . . . 20 VAL CB . 27798 1 74 . 1 1 20 20 VAL N N 15 118.94 0.20 . 1 . . . . . 20 VAL N . 27798 1 75 . 1 1 21 21 THR H H 1 8.22 0.03 . 1 . . . . . 21 THR H . 27798 1 76 . 1 1 21 21 THR C C 13 177.42 0.20 . 1 . . . . . 21 THR C . 27798 1 77 . 1 1 21 21 THR CA C 13 66.89 0.20 . 1 . . . . . 21 THR CA . 27798 1 78 . 1 1 21 21 THR CB C 13 68.50 0.20 . 1 . . . . . 21 THR CB . 27798 1 79 . 1 1 21 21 THR N N 15 116.18 0.20 . 1 . . . . . 21 THR N . 27798 1 80 . 1 1 22 22 THR H H 1 7.75 0.03 . 1 . . . . . 22 THR H . 27798 1 81 . 1 1 22 22 THR C C 13 176.50 0.20 . 1 . . . . . 22 THR C . 27798 1 82 . 1 1 22 22 THR CA C 13 66.21 0.20 . 1 . . . . . 22 THR CA . 27798 1 83 . 1 1 22 22 THR CB C 13 68.60 0.20 . 1 . . . . . 22 THR CB . 27798 1 84 . 1 1 22 22 THR N N 15 117.47 0.20 . 1 . . . . . 22 THR N . 27798 1 85 . 1 1 23 23 LEU H H 1 8.08 0.03 . 1 . . . . . 23 LEU H . 27798 1 86 . 1 1 23 23 LEU C C 13 177.57 0.20 . 1 . . . . . 23 LEU C . 27798 1 87 . 1 1 23 23 LEU CA C 13 57.42 0.20 . 1 . . . . . 23 LEU CA . 27798 1 88 . 1 1 23 23 LEU CB C 13 42.96 0.20 . 1 . . . . . 23 LEU CB . 27798 1 89 . 1 1 23 23 LEU N N 15 122.71 0.20 . 1 . . . . . 23 LEU N . 27798 1 90 . 1 1 24 24 THR H H 1 7.93 0.03 . 1 . . . . . 24 THR H . 27798 1 91 . 1 1 24 24 THR C C 13 176.22 0.20 . 1 . . . . . 24 THR C . 27798 1 92 . 1 1 24 24 THR CA C 13 65.08 0.20 . 1 . . . . . 24 THR CA . 27798 1 93 . 1 1 24 24 THR CB C 13 68.84 0.20 . 1 . . . . . 24 THR CB . 27798 1 94 . 1 1 24 24 THR N N 15 110.64 0.20 . 1 . . . . . 24 THR N . 27798 1 95 . 1 1 25 25 ALA H H 1 7.31 0.03 . 1 . . . . . 25 ALA H . 27798 1 96 . 1 1 25 25 ALA C C 13 177.76 0.20 . 1 . . . . . 25 ALA C . 27798 1 97 . 1 1 25 25 ALA CA C 13 53.86 0.20 . 1 . . . . . 25 ALA CA . 27798 1 98 . 1 1 25 25 ALA CB C 13 19.40 0.20 . 1 . . . . . 25 ALA CB . 27798 1 99 . 1 1 25 25 ALA N N 15 122.82 0.20 . 1 . . . . . 25 ALA N . 27798 1 100 . 1 1 26 26 ASP H H 1 7.76 0.03 . 1 . . . . . 26 ASP H . 27798 1 101 . 1 1 26 26 ASP CA C 13 51.79 0.20 . 1 . . . . . 26 ASP CA . 27798 1 102 . 1 1 26 26 ASP CB C 13 41.17 0.20 . 1 . . . . . 26 ASP CB . 27798 1 103 . 1 1 26 26 ASP N N 15 115.66 0.20 . 1 . . . . . 26 ASP N . 27798 1 104 . 1 1 28 28 PRO C C 13 175.31 0.20 . 1 . . . . . 28 PRO C . 27798 1 105 . 1 1 28 28 PRO CA C 13 61.65 0.20 . 1 . . . . . 28 PRO CA . 27798 1 106 . 1 1 28 28 PRO CB C 13 31.45 0.20 . 1 . . . . . 28 PRO CB . 27798 1 107 . 1 1 29 29 ASP H H 1 8.29 0.03 . 1 . . . . . 29 ASP H . 27798 1 108 . 1 1 29 29 ASP C C 13 177.63 0.20 . 1 . . . . . 29 ASP C . 27798 1 109 . 1 1 29 29 ASP CA C 13 56.07 0.20 . 1 . . . . . 29 ASP CA . 27798 1 110 . 1 1 29 29 ASP CB C 13 40.76 0.20 . 1 . . . . . 29 ASP CB . 27798 1 111 . 1 1 29 29 ASP N N 15 120.36 0.20 . 1 . . . . . 29 ASP N . 27798 1 112 . 1 1 30 30 GLY H H 1 8.68 0.03 . 1 . . . . . 30 GLY H . 27798 1 113 . 1 1 30 30 GLY C C 13 173.50 0.20 . 1 . . . . . 30 GLY C . 27798 1 114 . 1 1 30 30 GLY CA C 13 45.74 0.20 . 1 . . . . . 30 GLY CA . 27798 1 115 . 1 1 30 30 GLY N N 15 112.34 0.20 . 1 . . . . . 30 GLY N . 27798 1 116 . 1 1 31 31 ILE H H 1 7.89 0.03 . 1 . . . . . 31 ILE H . 27798 1 117 . 1 1 31 31 ILE C C 13 174.12 0.20 . 1 . . . . . 31 ILE C . 27798 1 118 . 1 1 31 31 ILE CA C 13 59.88 0.20 . 1 . . . . . 31 ILE CA . 27798 1 119 . 1 1 31 31 ILE CB C 13 40.34 0.20 . 1 . . . . . 31 ILE CB . 27798 1 120 . 1 1 31 31 ILE N N 15 121.45 0.20 . 1 . . . . . 31 ILE N . 27798 1 121 . 1 1 32 32 LYS H H 1 8.46 0.03 . 1 . . . . . 32 LYS H . 27798 1 122 . 1 1 32 32 LYS C C 13 174.64 0.20 . 1 . . . . . 32 LYS C . 27798 1 123 . 1 1 32 32 LYS CA C 13 54.74 0.20 . 1 . . . . . 32 LYS CA . 27798 1 124 . 1 1 32 32 LYS CB C 13 36.50 0.20 . 1 . . . . . 32 LYS CB . 27798 1 125 . 1 1 32 32 LYS N N 15 125.13 0.20 . 1 . . . . . 32 LYS N . 27798 1 126 . 1 1 33 33 VAL H H 1 8.34 0.03 . 1 . . . . . 33 VAL H . 27798 1 127 . 1 1 33 33 VAL C C 13 173.83 0.20 . 1 . . . . . 33 VAL C . 27798 1 128 . 1 1 33 33 VAL CA C 13 60.58 0.20 . 1 . . . . . 33 VAL CA . 27798 1 129 . 1 1 33 33 VAL CB C 13 33.91 0.20 . 1 . . . . . 33 VAL CB . 27798 1 130 . 1 1 33 33 VAL N N 15 119.03 0.20 . 1 . . . . . 33 VAL N . 27798 1 131 . 1 1 34 34 PHE H H 1 8.71 0.03 . 1 . . . . . 34 PHE H . 27798 1 132 . 1 1 34 34 PHE CA C 13 54.93 0.20 . 1 . . . . . 34 PHE CA . 27798 1 133 . 1 1 34 34 PHE CB C 13 39.41 0.20 . 1 . . . . . 34 PHE CB . 27798 1 134 . 1 1 34 34 PHE N N 15 123.12 0.20 . 1 . . . . . 34 PHE N . 27798 1 135 . 1 1 35 35 PRO C C 13 175.83 0.20 . 1 . . . . . 35 PRO C . 27798 1 136 . 1 1 35 35 PRO CA C 13 62.87 0.20 . 1 . . . . . 35 PRO CA . 27798 1 137 . 1 1 35 35 PRO CB C 13 32.44 0.20 . 1 . . . . . 35 PRO CB . 27798 1 138 . 1 1 36 36 ASN H H 1 8.92 0.03 . 1 . . . . . 36 ASN H . 27798 1 139 . 1 1 36 36 ASN C C 13 176.18 0.20 . 1 . . . . . 36 ASN C . 27798 1 140 . 1 1 36 36 ASN CA C 13 52.24 0.20 . 1 . . . . . 36 ASN CA . 27798 1 141 . 1 1 36 36 ASN CB C 13 39.05 0.20 . 1 . . . . . 36 ASN CB . 27798 1 142 . 1 1 36 36 ASN N N 15 121.71 0.20 . 1 . . . . . 36 ASN N . 27798 1 143 . 1 1 37 37 GLU H H 1 9.03 0.03 . 1 . . . . . 37 GLU H . 27798 1 144 . 1 1 37 37 GLU C C 13 177.05 0.20 . 1 . . . . . 37 GLU C . 27798 1 145 . 1 1 37 37 GLU CA C 13 58.94 0.20 . 1 . . . . . 37 GLU CA . 27798 1 146 . 1 1 37 37 GLU CB C 13 29.56 0.20 . 1 . . . . . 37 GLU CB . 27798 1 147 . 1 1 37 37 GLU N N 15 124.02 0.20 . 1 . . . . . 37 GLU N . 27798 1 148 . 1 1 38 38 GLU H H 1 8.15 0.03 . 1 . . . . . 38 GLU H . 27798 1 149 . 1 1 38 38 GLU C C 13 176.58 0.20 . 1 . . . . . 38 GLU C . 27798 1 150 . 1 1 38 38 GLU CA C 13 57.12 0.20 . 1 . . . . . 38 GLU CA . 27798 1 151 . 1 1 38 38 GLU CB C 13 30.23 0.20 . 1 . . . . . 38 GLU CB . 27798 1 152 . 1 1 38 38 GLU N N 15 116.18 0.20 . 1 . . . . . 38 GLU N . 27798 1 153 . 1 1 39 39 ASP H H 1 7.54 0.03 . 1 . . . . . 39 ASP H . 27798 1 154 . 1 1 39 39 ASP C C 13 175.50 0.20 . 1 . . . . . 39 ASP C . 27798 1 155 . 1 1 39 39 ASP CA C 13 53.78 0.20 . 1 . . . . . 39 ASP CA . 27798 1 156 . 1 1 39 39 ASP CB C 13 40.60 0.20 . 1 . . . . . 39 ASP CB . 27798 1 157 . 1 1 39 39 ASP N N 15 117.55 0.20 . 1 . . . . . 39 ASP N . 27798 1 158 . 1 1 40 40 LEU H H 1 8.66 0.03 . 1 . . . . . 40 LEU H . 27798 1 159 . 1 1 40 40 LEU C C 13 175.51 0.20 . 1 . . . . . 40 LEU C . 27798 1 160 . 1 1 40 40 LEU CA C 13 56.23 0.20 . 1 . . . . . 40 LEU CA . 27798 1 161 . 1 1 40 40 LEU CB C 13 42.16 0.20 . 1 . . . . . 40 LEU CB . 27798 1 162 . 1 1 40 40 LEU N N 15 125.87 0.20 . 1 . . . . . 40 LEU N . 27798 1 163 . 1 1 41 41 THR H H 1 7.99 0.03 . 1 . . . . . 41 THR H . 27798 1 164 . 1 1 41 41 THR C C 13 173.17 0.20 . 1 . . . . . 41 THR C . 27798 1 165 . 1 1 41 41 THR CA C 13 62.65 0.20 . 1 . . . . . 41 THR CA . 27798 1 166 . 1 1 41 41 THR CB C 13 69.18 0.20 . 1 . . . . . 41 THR CB . 27798 1 167 . 1 1 41 41 THR N N 15 103.41 0.20 . 1 . . . . . 41 THR N . 27798 1 168 . 1 1 42 42 ASP H H 1 7.20 0.03 . 1 . . . . . 42 ASP H . 27798 1 169 . 1 1 42 42 ASP C C 13 174.95 0.20 . 1 . . . . . 42 ASP C . 27798 1 170 . 1 1 42 42 ASP CA C 13 52.72 0.20 . 1 . . . . . 42 ASP CA . 27798 1 171 . 1 1 42 42 ASP CB C 13 42.22 0.20 . 1 . . . . . 42 ASP CB . 27798 1 172 . 1 1 42 42 ASP N N 15 122.23 0.20 . 1 . . . . . 42 ASP N . 27798 1 173 . 1 1 43 43 LEU H H 1 8.64 0.03 . 1 . . . . . 43 LEU H . 27798 1 174 . 1 1 43 43 LEU C C 13 175.35 0.20 . 1 . . . . . 43 LEU C . 27798 1 175 . 1 1 43 43 LEU CA C 13 53.87 0.20 . 1 . . . . . 43 LEU CA . 27798 1 176 . 1 1 43 43 LEU CB C 13 44.47 0.20 . 1 . . . . . 43 LEU CB . 27798 1 177 . 1 1 43 43 LEU N N 15 124.97 0.20 . 1 . . . . . 43 LEU N . 27798 1 178 . 1 1 44 44 GLN H H 1 8.10 0.03 . 1 . . . . . 44 GLN H . 27798 1 179 . 1 1 44 44 GLN C C 13 174.87 0.20 . 1 . . . . . 44 GLN C . 27798 1 180 . 1 1 44 44 GLN CA C 13 55.36 0.20 . 1 . . . . . 44 GLN CA . 27798 1 181 . 1 1 44 44 GLN CB C 13 29.82 0.20 . 1 . . . . . 44 GLN CB . 27798 1 182 . 1 1 44 44 GLN N N 15 124.17 0.20 . 1 . . . . . 44 GLN N . 27798 1 183 . 1 1 45 45 VAL H H 1 8.69 0.03 . 1 . . . . . 45 VAL H . 27798 1 184 . 1 1 45 45 VAL C C 13 175.84 0.20 . 1 . . . . . 45 VAL C . 27798 1 185 . 1 1 45 45 VAL CA C 13 59.72 0.20 . 1 . . . . . 45 VAL CA . 27798 1 186 . 1 1 45 45 VAL CB C 13 37.22 0.20 . 1 . . . . . 45 VAL CB . 27798 1 187 . 1 1 45 45 VAL N N 15 121.45 0.20 . 1 . . . . . 45 VAL N . 27798 1 188 . 1 1 46 46 THR H H 1 9.39 0.03 . 1 . . . . . 46 THR H . 27798 1 189 . 1 1 46 46 THR C C 13 173.55 0.20 . 1 . . . . . 46 THR C . 27798 1 190 . 1 1 46 46 THR CA C 13 60.36 0.20 . 1 . . . . . 46 THR CA . 27798 1 191 . 1 1 46 46 THR CB C 13 71.29 0.20 . 1 . . . . . 46 THR CB . 27798 1 192 . 1 1 46 46 THR N N 15 117.01 0.20 . 1 . . . . . 46 THR N . 27798 1 193 . 1 1 47 47 ILE H H 1 9.19 0.03 . 1 . . . . . 47 ILE H . 27798 1 194 . 1 1 47 47 ILE C C 13 175.09 0.20 . 1 . . . . . 47 ILE C . 27798 1 195 . 1 1 47 47 ILE CA C 13 59.58 0.20 . 1 . . . . . 47 ILE CA . 27798 1 196 . 1 1 47 47 ILE CB C 13 42.40 0.20 . 1 . . . . . 47 ILE CB . 27798 1 197 . 1 1 47 47 ILE N N 15 122.03 0.20 . 1 . . . . . 47 ILE N . 27798 1 198 . 1 1 48 48 GLU H H 1 8.75 0.03 . 1 . . . . . 48 GLU H . 27798 1 199 . 1 1 48 48 GLU C C 13 177.73 0.20 . 1 . . . . . 48 GLU C . 27798 1 200 . 1 1 48 48 GLU CA C 13 55.63 0.20 . 1 . . . . . 48 GLU CA . 27798 1 201 . 1 1 48 48 GLU CB C 13 30.44 0.20 . 1 . . . . . 48 GLU CB . 27798 1 202 . 1 1 48 48 GLU N N 15 127.86 0.20 . 1 . . . . . 48 GLU N . 27798 1 203 . 1 1 49 49 GLY H H 1 9.57 0.03 . 1 . . . . . 49 GLY H . 27798 1 204 . 1 1 49 49 GLY CA C 13 44.30 0.20 . 1 . . . . . 49 GLY CA . 27798 1 205 . 1 1 49 49 GLY N N 15 112.63 0.20 . 1 . . . . . 49 GLY N . 27798 1 206 . 1 1 50 50 PRO C C 13 176.79 0.20 . 1 . . . . . 50 PRO C . 27798 1 207 . 1 1 50 50 PRO CA C 13 63.12 0.20 . 1 . . . . . 50 PRO CA . 27798 1 208 . 1 1 50 50 PRO CB C 13 32.32 0.20 . 1 . . . . . 50 PRO CB . 27798 1 209 . 1 1 51 51 GLU H H 1 8.93 0.03 . 1 . . . . . 51 GLU H . 27798 1 210 . 1 1 51 51 GLU C C 13 177.17 0.20 . 1 . . . . . 51 GLU C . 27798 1 211 . 1 1 51 51 GLU CA C 13 57.74 0.20 . 1 . . . . . 51 GLU CA . 27798 1 212 . 1 1 51 51 GLU CB C 13 29.77 0.20 . 1 . . . . . 51 GLU CB . 27798 1 213 . 1 1 51 51 GLU N N 15 124.57 0.20 . 1 . . . . . 51 GLU N . 27798 1 214 . 1 1 52 52 GLY H H 1 9.16 0.03 . 1 . . . . . 52 GLY H . 27798 1 215 . 1 1 52 52 GLY C C 13 173.99 0.20 . 1 . . . . . 52 GLY C . 27798 1 216 . 1 1 52 52 GLY CA C 13 45.59 0.20 . 1 . . . . . 52 GLY CA . 27798 1 217 . 1 1 52 52 GLY N N 15 110.77 0.20 . 1 . . . . . 52 GLY N . 27798 1 218 . 1 1 53 53 THR H H 1 7.51 0.03 . 1 . . . . . 53 THR H . 27798 1 219 . 1 1 53 53 THR CA C 13 59.53 0.20 . 1 . . . . . 53 THR CA . 27798 1 220 . 1 1 53 53 THR CB C 13 70.70 0.20 . 1 . . . . . 53 THR CB . 27798 1 221 . 1 1 53 53 THR N N 15 108.50 0.20 . 1 . . . . . 53 THR N . 27798 1 222 . 1 1 54 54 PRO C C 13 174.41 0.20 . 1 . . . . . 54 PRO C . 27798 1 223 . 1 1 54 54 PRO CA C 13 63.83 0.20 . 1 . . . . . 54 PRO CA . 27798 1 224 . 1 1 54 54 PRO CB C 13 32.58 0.20 . 1 . . . . . 54 PRO CB . 27798 1 225 . 1 1 55 55 TYR H H 1 6.93 0.03 . 1 . . . . . 55 TYR H . 27798 1 226 . 1 1 55 55 TYR C C 13 175.15 0.20 . 1 . . . . . 55 TYR C . 27798 1 227 . 1 1 55 55 TYR CA C 13 55.94 0.20 . 1 . . . . . 55 TYR CA . 27798 1 228 . 1 1 55 55 TYR CB C 13 38.40 0.20 . 1 . . . . . 55 TYR CB . 27798 1 229 . 1 1 55 55 TYR N N 15 113.95 0.20 . 1 . . . . . 55 TYR N . 27798 1 230 . 1 1 56 56 ALA H H 1 7.28 0.03 . 1 . . . . . 56 ALA H . 27798 1 231 . 1 1 56 56 ALA C C 13 178.55 0.20 . 1 . . . . . 56 ALA C . 27798 1 232 . 1 1 56 56 ALA CA C 13 53.75 0.20 . 1 . . . . . 56 ALA CA . 27798 1 233 . 1 1 56 56 ALA CB C 13 19.65 0.20 . 1 . . . . . 56 ALA CB . 27798 1 234 . 1 1 56 56 ALA N N 15 123.29 0.20 . 1 . . . . . 56 ALA N . 27798 1 235 . 1 1 57 57 GLY H H 1 8.69 0.03 . 1 . . . . . 57 GLY H . 27798 1 236 . 1 1 57 57 GLY C C 13 174.74 0.20 . 1 . . . . . 57 GLY C . 27798 1 237 . 1 1 57 57 GLY CA C 13 45.32 0.20 . 1 . . . . . 57 GLY CA . 27798 1 238 . 1 1 57 57 GLY N N 15 111.77 0.20 . 1 . . . . . 57 GLY N . 27798 1 239 . 1 1 58 58 GLY H H 1 8.28 0.03 . 1 . . . . . 58 GLY H . 27798 1 240 . 1 1 58 58 GLY C C 13 171.89 0.20 . 1 . . . . . 58 GLY C . 27798 1 241 . 1 1 58 58 GLY CA C 13 44.57 0.20 . 1 . . . . . 58 GLY CA . 27798 1 242 . 1 1 58 58 GLY N N 15 107.17 0.20 . 1 . . . . . 58 GLY N . 27798 1 243 . 1 1 59 59 LEU H H 1 9.31 0.03 . 1 . . . . . 59 LEU H . 27798 1 244 . 1 1 59 59 LEU C C 13 175.01 0.20 . 1 . . . . . 59 LEU C . 27798 1 245 . 1 1 59 59 LEU CA C 13 54.07 0.20 . 1 . . . . . 59 LEU CA . 27798 1 246 . 1 1 59 59 LEU CB C 13 43.24 0.20 . 1 . . . . . 59 LEU CB . 27798 1 247 . 1 1 59 59 LEU N N 15 126.95 0.20 . 1 . . . . . 59 LEU N . 27798 1 248 . 1 1 60 60 PHE H H 1 8.83 0.03 . 1 . . . . . 60 PHE H . 27798 1 249 . 1 1 60 60 PHE C C 13 174.77 0.20 . 1 . . . . . 60 PHE C . 27798 1 250 . 1 1 60 60 PHE CA C 13 57.39 0.20 . 1 . . . . . 60 PHE CA . 27798 1 251 . 1 1 60 60 PHE CB C 13 40.52 0.20 . 1 . . . . . 60 PHE CB . 27798 1 252 . 1 1 60 60 PHE N N 15 123.66 0.20 . 1 . . . . . 60 PHE N . 27798 1 253 . 1 1 61 61 ARG H H 1 9.40 0.03 . 1 . . . . . 61 ARG H . 27798 1 254 . 1 1 61 61 ARG C C 13 176.07 0.20 . 1 . . . . . 61 ARG C . 27798 1 255 . 1 1 61 61 ARG CA C 13 55.39 0.20 . 1 . . . . . 61 ARG CA . 27798 1 256 . 1 1 61 61 ARG CB C 13 31.62 0.20 . 1 . . . . . 61 ARG CB . 27798 1 257 . 1 1 61 61 ARG N N 15 123.68 0.20 . 1 . . . . . 61 ARG N . 27798 1 258 . 1 1 62 62 MET H H 1 9.47 0.03 . 1 . . . . . 62 MET H . 27798 1 259 . 1 1 62 62 MET C C 13 173.07 0.20 . 1 . . . . . 62 MET C . 27798 1 260 . 1 1 62 62 MET CA C 13 54.43 0.20 . 1 . . . . . 62 MET CA . 27798 1 261 . 1 1 62 62 MET CB C 13 37.26 0.20 . 1 . . . . . 62 MET CB . 27798 1 262 . 1 1 62 62 MET N N 15 123.97 0.20 . 1 . . . . . 62 MET N . 27798 1 263 . 1 1 63 63 LYS H H 1 9.07 0.03 . 1 . . . . . 63 LYS H . 27798 1 264 . 1 1 63 63 LYS C C 13 174.38 0.20 . 1 . . . . . 63 LYS C . 27798 1 265 . 1 1 63 63 LYS CA C 13 54.44 0.20 . 1 . . . . . 63 LYS CA . 27798 1 266 . 1 1 63 63 LYS CB C 13 36.15 0.20 . 1 . . . . . 63 LYS CB . 27798 1 267 . 1 1 63 63 LYS N N 15 120.24 0.20 . 1 . . . . . 63 LYS N . 27798 1 268 . 1 1 64 64 LEU H H 1 8.96 0.03 . 1 . . . . . 64 LEU H . 27798 1 269 . 1 1 64 64 LEU C C 13 174.63 0.20 . 1 . . . . . 64 LEU C . 27798 1 270 . 1 1 64 64 LEU CA C 13 52.83 0.20 . 1 . . . . . 64 LEU CA . 27798 1 271 . 1 1 64 64 LEU CB C 13 44.99 0.20 . 1 . . . . . 64 LEU CB . 27798 1 272 . 1 1 64 64 LEU N N 15 123.57 0.20 . 1 . . . . . 64 LEU N . 27798 1 273 . 1 1 65 65 LEU H H 1 8.99 0.03 . 1 . . . . . 65 LEU H . 27798 1 274 . 1 1 65 65 LEU C C 13 177.00 0.20 . 1 . . . . . 65 LEU C . 27798 1 275 . 1 1 65 65 LEU CA C 13 52.97 0.20 . 1 . . . . . 65 LEU CA . 27798 1 276 . 1 1 65 65 LEU CB C 13 43.72 0.20 . 1 . . . . . 65 LEU CB . 27798 1 277 . 1 1 65 65 LEU N N 15 122.87 0.20 . 1 . . . . . 65 LEU N . 27798 1 278 . 1 1 66 66 LEU H H 1 9.02 0.03 . 1 . . . . . 66 LEU H . 27798 1 279 . 1 1 66 66 LEU C C 13 175.93 0.20 . 1 . . . . . 66 LEU C . 27798 1 280 . 1 1 66 66 LEU CA C 13 55.36 0.20 . 1 . . . . . 66 LEU CA . 27798 1 281 . 1 1 66 66 LEU CB C 13 40.97 0.20 . 1 . . . . . 66 LEU CB . 27798 1 282 . 1 1 66 66 LEU N N 15 126.77 0.20 . 1 . . . . . 66 LEU N . 27798 1 283 . 1 1 67 67 GLY H H 1 7.97 0.03 . 1 . . . . . 67 GLY H . 27798 1 284 . 1 1 67 67 GLY C C 13 173.99 0.20 . 1 . . . . . 67 GLY C . 27798 1 285 . 1 1 67 67 GLY CA C 13 44.28 0.20 . 1 . . . . . 67 GLY CA . 27798 1 286 . 1 1 67 67 GLY N N 15 108.49 0.20 . 1 . . . . . 67 GLY N . 27798 1 287 . 1 1 68 68 LYS H H 1 8.37 0.03 . 1 . . . . . 68 LYS H . 27798 1 288 . 1 1 68 68 LYS C C 13 176.23 0.20 . 1 . . . . . 68 LYS C . 27798 1 289 . 1 1 68 68 LYS CA C 13 58.25 0.20 . 1 . . . . . 68 LYS CA . 27798 1 290 . 1 1 68 68 LYS CB C 13 32.26 0.20 . 1 . . . . . 68 LYS CB . 27798 1 291 . 1 1 68 68 LYS N N 15 116.68 0.20 . 1 . . . . . 68 LYS N . 27798 1 292 . 1 1 69 69 ASP H H 1 8.50 0.03 . 1 . . . . . 69 ASP H . 27798 1 293 . 1 1 69 69 ASP C C 13 175.74 0.20 . 1 . . . . . 69 ASP C . 27798 1 294 . 1 1 69 69 ASP CA C 13 52.89 0.20 . 1 . . . . . 69 ASP CA . 27798 1 295 . 1 1 69 69 ASP CB C 13 40.67 0.20 . 1 . . . . . 69 ASP CB . 27798 1 296 . 1 1 69 69 ASP N N 15 116.18 0.20 . 1 . . . . . 69 ASP N . 27798 1 297 . 1 1 70 70 PHE H H 1 7.69 0.03 . 1 . . . . . 70 PHE H . 27798 1 298 . 1 1 70 70 PHE CA C 13 56.76 0.20 . 1 . . . . . 70 PHE CA . 27798 1 299 . 1 1 70 70 PHE CB C 13 40.16 0.20 . 1 . . . . . 70 PHE CB . 27798 1 300 . 1 1 70 70 PHE N N 15 124.97 0.20 . 1 . . . . . 70 PHE N . 27798 1 301 . 1 1 71 71 PRO C C 13 175.13 0.20 . 1 . . . . . 71 PRO C . 27798 1 302 . 1 1 71 71 PRO CA C 13 63.96 0.20 . 1 . . . . . 71 PRO CA . 27798 1 303 . 1 1 71 71 PRO CB C 13 32.25 0.20 . 1 . . . . . 71 PRO CB . 27798 1 304 . 1 1 72 72 ALA H H 1 8.58 0.03 . 1 . . . . . 72 ALA H . 27798 1 305 . 1 1 72 72 ALA C C 13 178.77 0.20 . 1 . . . . . 72 ALA C . 27798 1 306 . 1 1 72 72 ALA CA C 13 55.76 0.20 . 1 . . . . . 72 ALA CA . 27798 1 307 . 1 1 72 72 ALA CB C 13 18.28 0.20 . 1 . . . . . 72 ALA CB . 27798 1 308 . 1 1 72 72 ALA N N 15 128.40 0.20 . 1 . . . . . 72 ALA N . 27798 1 309 . 1 1 73 73 SER H H 1 7.72 0.03 . 1 . . . . . 73 SER H . 27798 1 310 . 1 1 73 73 SER CA C 13 55.02 0.20 . 1 . . . . . 73 SER CA . 27798 1 311 . 1 1 73 73 SER CB C 13 63.96 0.20 . 1 . . . . . 73 SER CB . 27798 1 312 . 1 1 73 73 SER N N 15 111.57 0.20 . 1 . . . . . 73 SER N . 27798 1 313 . 1 1 75 75 PRO C C 13 174.42 0.20 . 1 . . . . . 75 PRO C . 27798 1 314 . 1 1 75 75 PRO CA C 13 62.00 0.20 . 1 . . . . . 75 PRO CA . 27798 1 315 . 1 1 75 75 PRO CB C 13 32.78 0.20 . 1 . . . . . 75 PRO CB . 27798 1 316 . 1 1 76 76 LYS H H 1 7.89 0.03 . 1 . . . . . 76 LYS H . 27798 1 317 . 1 1 76 76 LYS C C 13 175.90 0.20 . 1 . . . . . 76 LYS C . 27798 1 318 . 1 1 76 76 LYS CA C 13 55.38 0.20 . 1 . . . . . 76 LYS CA . 27798 1 319 . 1 1 76 76 LYS CB C 13 34.76 0.20 . 1 . . . . . 76 LYS CB . 27798 1 320 . 1 1 76 76 LYS N N 15 117.77 0.20 . 1 . . . . . 76 LYS N . 27798 1 321 . 1 1 77 77 GLY H H 1 8.33 0.03 . 1 . . . . . 77 GLY H . 27798 1 322 . 1 1 77 77 GLY C C 13 171.45 0.20 . 1 . . . . . 77 GLY C . 27798 1 323 . 1 1 77 77 GLY CA C 13 44.64 0.20 . 1 . . . . . 77 GLY CA . 27798 1 324 . 1 1 77 77 GLY N N 15 107.37 0.20 . 1 . . . . . 77 GLY N . 27798 1 325 . 1 1 78 78 TYR H H 1 8.63 0.03 . 1 . . . . . 78 TYR H . 27798 1 326 . 1 1 78 78 TYR C C 13 176.34 0.20 . 1 . . . . . 78 TYR C . 27798 1 327 . 1 1 78 78 TYR CA C 13 56.12 0.20 . 1 . . . . . 78 TYR CA . 27798 1 328 . 1 1 78 78 TYR CB C 13 41.66 0.20 . 1 . . . . . 78 TYR CB . 27798 1 329 . 1 1 78 78 TYR N N 15 118.84 0.20 . 1 . . . . . 78 TYR N . 27798 1 330 . 1 1 79 79 PHE H H 1 10.04 0.03 . 1 . . . . . 79 PHE H . 27798 1 331 . 1 1 79 79 PHE C C 13 176.46 0.20 . 1 . . . . . 79 PHE C . 27798 1 332 . 1 1 79 79 PHE CA C 13 60.58 0.20 . 1 . . . . . 79 PHE CA . 27798 1 333 . 1 1 79 79 PHE CB C 13 39.64 0.20 . 1 . . . . . 79 PHE CB . 27798 1 334 . 1 1 79 79 PHE N N 15 122.62 0.20 . 1 . . . . . 79 PHE N . 27798 1 335 . 1 1 80 80 LEU H H 1 9.40 0.03 . 1 . . . . . 80 LEU H . 27798 1 336 . 1 1 80 80 LEU C C 13 177.81 0.20 . 1 . . . . . 80 LEU C . 27798 1 337 . 1 1 80 80 LEU CA C 13 55.37 0.20 . 1 . . . . . 80 LEU CA . 27798 1 338 . 1 1 80 80 LEU CB C 13 41.80 0.20 . 1 . . . . . 80 LEU CB . 27798 1 339 . 1 1 80 80 LEU N N 15 125.22 0.20 . 1 . . . . . 80 LEU N . 27798 1 340 . 1 1 81 81 THR H H 1 7.49 0.03 . 1 . . . . . 81 THR H . 27798 1 341 . 1 1 81 81 THR C C 13 173.69 0.20 . 1 . . . . . 81 THR C . 27798 1 342 . 1 1 81 81 THR CA C 13 63.19 0.20 . 1 . . . . . 81 THR CA . 27798 1 343 . 1 1 81 81 THR CB C 13 71.38 0.20 . 1 . . . . . 81 THR CB . 27798 1 344 . 1 1 81 81 THR N N 15 118.59 0.20 . 1 . . . . . 81 THR N . 27798 1 345 . 1 1 82 82 LYS H H 1 8.49 0.03 . 1 . . . . . 82 LYS H . 27798 1 346 . 1 1 82 82 LYS C C 13 174.68 0.20 . 1 . . . . . 82 LYS C . 27798 1 347 . 1 1 82 82 LYS CA C 13 57.47 0.20 . 1 . . . . . 82 LYS CA . 27798 1 348 . 1 1 82 82 LYS CB C 13 31.95 0.20 . 1 . . . . . 82 LYS CB . 27798 1 349 . 1 1 82 82 LYS N N 15 127.74 0.20 . 1 . . . . . 82 LYS N . 27798 1 350 . 1 1 83 83 ILE H H 1 8.15 0.03 . 1 . . . . . 83 ILE H . 27798 1 351 . 1 1 83 83 ILE C C 13 171.65 0.20 . 1 . . . . . 83 ILE C . 27798 1 352 . 1 1 83 83 ILE CA C 13 60.04 0.20 . 1 . . . . . 83 ILE CA . 27798 1 353 . 1 1 83 83 ILE CB C 13 41.59 0.20 . 1 . . . . . 83 ILE CB . 27798 1 354 . 1 1 83 83 ILE N N 15 120.92 0.20 . 1 . . . . . 83 ILE N . 27798 1 355 . 1 1 84 84 PHE H H 1 8.42 0.03 . 1 . . . . . 84 PHE H . 27798 1 356 . 1 1 84 84 PHE C C 13 173.60 0.20 . 1 . . . . . 84 PHE C . 27798 1 357 . 1 1 84 84 PHE CA C 13 56.82 0.20 . 1 . . . . . 84 PHE CA . 27798 1 358 . 1 1 84 84 PHE CB C 13 39.97 0.20 . 1 . . . . . 84 PHE CB . 27798 1 359 . 1 1 84 84 PHE N N 15 128.06 0.20 . 1 . . . . . 84 PHE N . 27798 1 360 . 1 1 85 85 HIS H H 1 9.47 0.03 . 1 . . . . . 85 HIS H . 27798 1 361 . 1 1 85 85 HIS CA C 13 55.26 0.20 . 1 . . . . . 85 HIS CA . 27798 1 362 . 1 1 85 85 HIS CB C 13 35.18 0.20 . 1 . . . . . 85 HIS CB . 27798 1 363 . 1 1 85 85 HIS N N 15 129.88 0.20 . 1 . . . . . 85 HIS N . 27798 1 364 . 1 1 86 86 PRO C C 13 176.77 0.20 . 1 . . . . . 86 PRO C . 27798 1 365 . 1 1 87 87 ASN H H 1 11.50 0.03 . 1 . . . . . 87 ASN H . 27798 1 366 . 1 1 87 87 ASN C C 13 171.33 0.20 . 1 . . . . . 87 ASN C . 27798 1 367 . 1 1 87 87 ASN CA C 13 54.23 0.20 . 1 . . . . . 87 ASN CA . 27798 1 368 . 1 1 87 87 ASN CB C 13 41.03 0.20 . 1 . . . . . 87 ASN CB . 27798 1 369 . 1 1 87 87 ASN N N 15 116.37 0.20 . 1 . . . . . 87 ASN N . 27798 1 370 . 1 1 88 88 VAL H H 1 7.42 0.03 . 1 . . . . . 88 VAL H . 27798 1 371 . 1 1 88 88 VAL C C 13 176.24 0.20 . 1 . . . . . 88 VAL C . 27798 1 372 . 1 1 88 88 VAL CA C 13 60.83 0.20 . 1 . . . . . 88 VAL CA . 27798 1 373 . 1 1 88 88 VAL CB C 13 34.01 0.20 . 1 . . . . . 88 VAL CB . 27798 1 374 . 1 1 88 88 VAL N N 15 119.00 0.20 . 1 . . . . . 88 VAL N . 27798 1 375 . 1 1 89 89 GLY H H 1 9.44 0.03 . 1 . . . . . 89 GLY H . 27798 1 376 . 1 1 89 89 GLY CA C 13 44.66 0.20 . 1 . . . . . 89 GLY CA . 27798 1 377 . 1 1 89 89 GLY N N 15 112.99 0.20 . 1 . . . . . 89 GLY N . 27798 1 378 . 1 1 90 90 ALA C C 13 178.87 0.20 . 1 . . . . . 90 ALA C . 27798 1 379 . 1 1 90 90 ALA CA C 13 55.17 0.20 . 1 . . . . . 90 ALA CA . 27798 1 380 . 1 1 91 91 ASN H H 1 8.67 0.03 . 1 . . . . . 91 ASN H . 27798 1 381 . 1 1 91 91 ASN C C 13 175.66 0.20 . 1 . . . . . 91 ASN C . 27798 1 382 . 1 1 91 91 ASN CA C 13 52.42 0.20 . 1 . . . . . 91 ASN CA . 27798 1 383 . 1 1 91 91 ASN CB C 13 38.22 0.20 . 1 . . . . . 91 ASN CB . 27798 1 384 . 1 1 91 91 ASN N N 15 115.00 0.20 . 1 . . . . . 91 ASN N . 27798 1 385 . 1 1 92 92 GLY H H 1 8.20 0.03 . 1 . . . . . 92 GLY H . 27798 1 386 . 1 1 92 92 GLY C C 13 174.11 0.20 . 1 . . . . . 92 GLY C . 27798 1 387 . 1 1 92 92 GLY CA C 13 45.53 0.20 . 1 . . . . . 92 GLY CA . 27798 1 388 . 1 1 92 92 GLY N N 15 107.45 0.20 . 1 . . . . . 92 GLY N . 27798 1 389 . 1 1 93 93 GLU H H 1 8.77 0.03 . 1 . . . . . 93 GLU H . 27798 1 390 . 1 1 93 93 GLU C C 13 174.90 0.20 . 1 . . . . . 93 GLU C . 27798 1 391 . 1 1 93 93 GLU CA C 13 57.34 0.20 . 1 . . . . . 93 GLU CA . 27798 1 392 . 1 1 93 93 GLU CB C 13 30.09 0.20 . 1 . . . . . 93 GLU CB . 27798 1 393 . 1 1 93 93 GLU N N 15 122.85 0.20 . 1 . . . . . 93 GLU N . 27798 1 394 . 1 1 94 94 ILE H H 1 7.68 0.03 . 1 . . . . . 94 ILE H . 27798 1 395 . 1 1 94 94 ILE C C 13 176.04 0.20 . 1 . . . . . 94 ILE C . 27798 1 396 . 1 1 94 94 ILE CA C 13 60.57 0.20 . 1 . . . . . 94 ILE CA . 27798 1 397 . 1 1 94 94 ILE CB C 13 39.47 0.20 . 1 . . . . . 94 ILE CB . 27798 1 398 . 1 1 94 94 ILE N N 15 123.00 0.20 . 1 . . . . . 94 ILE N . 27798 1 399 . 1 1 95 95 SER H H 1 8.20 0.03 . 1 . . . . . 95 SER H . 27798 1 400 . 1 1 95 95 SER C C 13 175.63 0.20 . 1 . . . . . 95 SER C . 27798 1 401 . 1 1 95 95 SER CA C 13 58.43 0.20 . 1 . . . . . 95 SER CA . 27798 1 402 . 1 1 95 95 SER CB C 13 64.18 0.20 . 1 . . . . . 95 SER CB . 27798 1 403 . 1 1 95 95 SER N N 15 119.90 0.20 . 1 . . . . . 95 SER N . 27798 1 404 . 1 1 96 96 VAL H H 1 8.65 0.03 . 1 . . . . . 96 VAL H . 27798 1 405 . 1 1 96 96 VAL C C 13 177.33 0.20 . 1 . . . . . 96 VAL C . 27798 1 406 . 1 1 96 96 VAL CA C 13 64.69 0.20 . 1 . . . . . 96 VAL CA . 27798 1 407 . 1 1 96 96 VAL CB C 13 32.25 0.20 . 1 . . . . . 96 VAL CB . 27798 1 408 . 1 1 96 96 VAL N N 15 128.04 0.20 . 1 . . . . . 96 VAL N . 27798 1 409 . 1 1 97 97 ASN H H 1 8.26 0.03 . 1 . . . . . 97 ASN H . 27798 1 410 . 1 1 97 97 ASN C C 13 177.45 0.20 . 1 . . . . . 97 ASN C . 27798 1 411 . 1 1 97 97 ASN CA C 13 56.10 0.20 . 1 . . . . . 97 ASN CA . 27798 1 412 . 1 1 97 97 ASN CB C 13 37.73 0.20 . 1 . . . . . 97 ASN CB . 27798 1 413 . 1 1 97 97 ASN N N 15 118.30 0.20 . 1 . . . . . 97 ASN N . 27798 1 414 . 1 1 98 98 VAL H H 1 7.35 0.03 . 1 . . . . . 98 VAL H . 27798 1 415 . 1 1 98 98 VAL C C 13 176.92 0.20 . 1 . . . . . 98 VAL C . 27798 1 416 . 1 1 98 98 VAL CA C 13 64.39 0.20 . 1 . . . . . 98 VAL CA . 27798 1 417 . 1 1 98 98 VAL CB C 13 31.76 0.20 . 1 . . . . . 98 VAL CB . 27798 1 418 . 1 1 98 98 VAL N N 15 115.58 0.20 . 1 . . . . . 98 VAL N . 27798 1 419 . 1 1 99 99 LEU H H 1 7.44 0.03 . 1 . . . . . 99 LEU H . 27798 1 420 . 1 1 99 99 LEU C C 13 177.75 0.20 . 1 . . . . . 99 LEU C . 27798 1 421 . 1 1 99 99 LEU CA C 13 56.72 0.20 . 1 . . . . . 99 LEU CA . 27798 1 422 . 1 1 99 99 LEU CB C 13 41.75 0.20 . 1 . . . . . 99 LEU CB . 27798 1 423 . 1 1 99 99 LEU N N 15 118.13 0.20 . 1 . . . . . 99 LEU N . 27798 1 424 . 1 1 100 100 CYS H H 1 8.01 0.03 . 1 . . . . . 100 CYS H . 27798 1 425 . 1 1 100 100 CYS C C 13 175.75 0.20 . 1 . . . . . 100 CYS C . 27798 1 426 . 1 1 100 100 CYS CA C 13 59.52 0.20 . 1 . . . . . 100 CYS CA . 27798 1 427 . 1 1 100 100 CYS CB C 13 27.80 0.20 . 1 . . . . . 100 CYS CB . 27798 1 428 . 1 1 100 100 CYS N N 15 113.06 0.20 . 1 . . . . . 100 CYS N . 27798 1 429 . 1 1 101 101 ARG H H 1 7.48 0.03 . 1 . . . . . 101 ARG H . 27798 1 430 . 1 1 101 101 ARG C C 13 176.68 0.20 . 1 . . . . . 101 ARG C . 27798 1 431 . 1 1 101 101 ARG CA C 13 58.77 0.20 . 1 . . . . . 101 ARG CA . 27798 1 432 . 1 1 101 101 ARG CB C 13 30.09 0.20 . 1 . . . . . 101 ARG CB . 27798 1 433 . 1 1 101 101 ARG N N 15 123.07 0.20 . 1 . . . . . 101 ARG N . 27798 1 434 . 1 1 102 102 ASP H H 1 8.69 0.03 . 1 . . . . . 102 ASP H . 27798 1 435 . 1 1 102 102 ASP C C 13 174.77 0.20 . 1 . . . . . 102 ASP C . 27798 1 436 . 1 1 102 102 ASP CA C 13 54.41 0.20 . 1 . . . . . 102 ASP CA . 27798 1 437 . 1 1 102 102 ASP CB C 13 40.25 0.20 . 1 . . . . . 102 ASP CB . 27798 1 438 . 1 1 102 102 ASP N N 15 119.79 0.20 . 1 . . . . . 102 ASP N . 27798 1 439 . 1 1 103 103 TRP H H 1 7.49 0.03 . 1 . . . . . 103 TRP H . 27798 1 440 . 1 1 103 103 TRP CA C 13 59.35 0.20 . 1 . . . . . 103 TRP CA . 27798 1 441 . 1 1 103 103 TRP CB C 13 30.15 0.20 . 1 . . . . . 103 TRP CB . 27798 1 442 . 1 1 103 103 TRP N N 15 119.14 0.20 . 1 . . . . . 103 TRP N . 27798 1 443 . 1 1 104 104 THR H H 1 5.89 0.03 . 1 . . . . . 104 THR H . 27798 1 444 . 1 1 104 104 THR C C 13 172.20 0.20 . 1 . . . . . 104 THR C . 27798 1 445 . 1 1 104 104 THR CA C 13 59.42 0.20 . 1 . . . . . 104 THR CA . 27798 1 446 . 1 1 104 104 THR CB C 13 71.50 0.20 . 1 . . . . . 104 THR CB . 27798 1 447 . 1 1 104 104 THR N N 15 117.36 0.20 . 1 . . . . . 104 THR N . 27798 1 448 . 1 1 105 105 ALA H H 1 8.09 0.03 . 1 . . . . . 105 ALA H . 27798 1 449 . 1 1 105 105 ALA C C 13 178.00 0.20 . 1 . . . . . 105 ALA C . 27798 1 450 . 1 1 105 105 ALA CA C 13 53.81 0.20 . 1 . . . . . 105 ALA CA . 27798 1 451 . 1 1 105 105 ALA CB C 13 18.71 0.20 . 1 . . . . . 105 ALA CB . 27798 1 452 . 1 1 105 105 ALA N N 15 120.73 0.20 . 1 . . . . . 105 ALA N . 27798 1 453 . 1 1 106 106 GLU H H 1 7.82 0.03 . 1 . . . . . 106 GLU H . 27798 1 454 . 1 1 106 106 GLU C C 13 177.26 0.20 . 1 . . . . . 106 GLU C . 27798 1 455 . 1 1 106 106 GLU CA C 13 57.20 0.20 . 1 . . . . . 106 GLU CA . 27798 1 456 . 1 1 106 106 GLU CB C 13 29.52 0.20 . 1 . . . . . 106 GLU CB . 27798 1 457 . 1 1 106 106 GLU N N 15 114.78 0.20 . 1 . . . . . 106 GLU N . 27798 1 458 . 1 1 107 107 LEU H H 1 7.07 0.03 . 1 . . . . . 107 LEU H . 27798 1 459 . 1 1 107 107 LEU C C 13 177.51 0.20 . 1 . . . . . 107 LEU C . 27798 1 460 . 1 1 107 107 LEU CA C 13 55.80 0.20 . 1 . . . . . 107 LEU CA . 27798 1 461 . 1 1 107 107 LEU CB C 13 40.97 0.20 . 1 . . . . . 107 LEU CB . 27798 1 462 . 1 1 107 107 LEU N N 15 120.82 0.20 . 1 . . . . . 107 LEU N . 27798 1 463 . 1 1 108 108 GLY H H 1 7.36 0.03 . 1 . . . . . 108 GLY H . 27798 1 464 . 1 1 108 108 GLY C C 13 174.43 0.20 . 1 . . . . . 108 GLY C . 27798 1 465 . 1 1 108 108 GLY CA C 13 45.19 0.20 . 1 . . . . . 108 GLY CA . 27798 1 466 . 1 1 108 108 GLY N N 15 103.89 0.20 . 1 . . . . . 108 GLY N . 27798 1 467 . 1 1 109 109 ILE H H 1 10.15 0.03 . 1 . . . . . 109 ILE H . 27798 1 468 . 1 1 109 109 ILE C C 13 178.66 0.20 . 1 . . . . . 109 ILE C . 27798 1 469 . 1 1 109 109 ILE CA C 13 64.91 0.20 . 1 . . . . . 109 ILE CA . 27798 1 470 . 1 1 109 109 ILE CB C 13 37.74 0.20 . 1 . . . . . 109 ILE CB . 27798 1 471 . 1 1 109 109 ILE N N 15 121.18 0.20 . 1 . . . . . 109 ILE N . 27798 1 472 . 1 1 110 110 ARG H H 1 9.59 0.03 . 1 . . . . . 110 ARG H . 27798 1 473 . 1 1 110 110 ARG C C 13 177.18 0.20 . 1 . . . . . 110 ARG C . 27798 1 474 . 1 1 110 110 ARG CA C 13 61.11 0.20 . 1 . . . . . 110 ARG CA . 27798 1 475 . 1 1 110 110 ARG CB C 13 30.65 0.20 . 1 . . . . . 110 ARG CB . 27798 1 476 . 1 1 110 110 ARG N N 15 121.75 0.20 . 1 . . . . . 110 ARG N . 27798 1 477 . 1 1 111 111 HIS H H 1 7.73 0.03 . 1 . . . . . 111 HIS H . 27798 1 478 . 1 1 111 111 HIS C C 13 179.17 0.20 . 1 . . . . . 111 HIS C . 27798 1 479 . 1 1 111 111 HIS CA C 13 60.53 0.20 . 1 . . . . . 111 HIS CA . 27798 1 480 . 1 1 111 111 HIS CB C 13 32.19 0.20 . 1 . . . . . 111 HIS CB . 27798 1 481 . 1 1 111 111 HIS N N 15 115.79 0.20 . 1 . . . . . 111 HIS N . 27798 1 482 . 1 1 112 112 VAL H H 1 7.77 0.03 . 1 . . . . . 112 VAL H . 27798 1 483 . 1 1 112 112 VAL C C 13 177.36 0.20 . 1 . . . . . 112 VAL C . 27798 1 484 . 1 1 112 112 VAL CA C 13 66.48 0.20 . 1 . . . . . 112 VAL CA . 27798 1 485 . 1 1 112 112 VAL CB C 13 31.58 0.20 . 1 . . . . . 112 VAL CB . 27798 1 486 . 1 1 112 112 VAL N N 15 120.86 0.20 . 1 . . . . . 112 VAL N . 27798 1 487 . 1 1 113 113 LEU H H 1 8.06 0.03 . 1 . . . . . 113 LEU H . 27798 1 488 . 1 1 113 113 LEU C C 13 179.05 0.20 . 1 . . . . . 113 LEU C . 27798 1 489 . 1 1 113 113 LEU CA C 13 58.13 0.20 . 1 . . . . . 113 LEU CA . 27798 1 490 . 1 1 113 113 LEU CB C 13 41.01 0.20 . 1 . . . . . 113 LEU CB . 27798 1 491 . 1 1 113 113 LEU N N 15 118.11 0.20 . 1 . . . . . 113 LEU N . 27798 1 492 . 1 1 114 114 LEU H H 1 8.20 0.03 . 1 . . . . . 114 LEU H . 27798 1 493 . 1 1 114 114 LEU C C 13 179.77 0.20 . 1 . . . . . 114 LEU C . 27798 1 494 . 1 1 114 114 LEU CA C 13 57.94 0.20 . 1 . . . . . 114 LEU CA . 27798 1 495 . 1 1 114 114 LEU CB C 13 41.20 0.20 . 1 . . . . . 114 LEU CB . 27798 1 496 . 1 1 114 114 LEU N N 15 118.48 0.20 . 1 . . . . . 114 LEU N . 27798 1 497 . 1 1 115 115 THR H H 1 8.13 0.03 . 1 . . . . . 115 THR H . 27798 1 498 . 1 1 115 115 THR C C 13 176.50 0.20 . 1 . . . . . 115 THR C . 27798 1 499 . 1 1 115 115 THR CA C 13 67.30 0.20 . 1 . . . . . 115 THR CA . 27798 1 500 . 1 1 115 115 THR CB C 13 68.79 0.20 . 1 . . . . . 115 THR CB . 27798 1 501 . 1 1 115 115 THR N N 15 118.14 0.20 . 1 . . . . . 115 THR N . 27798 1 502 . 1 1 116 116 ILE H H 1 8.06 0.03 . 1 . . . . . 116 ILE H . 27798 1 503 . 1 1 116 116 ILE C C 13 176.63 0.20 . 1 . . . . . 116 ILE C . 27798 1 504 . 1 1 116 116 ILE CA C 13 65.90 0.20 . 1 . . . . . 116 ILE CA . 27798 1 505 . 1 1 116 116 ILE CB C 13 37.44 0.20 . 1 . . . . . 116 ILE CB . 27798 1 506 . 1 1 116 116 ILE N N 15 122.96 0.20 . 1 . . . . . 116 ILE N . 27798 1 507 . 1 1 117 117 LYS H H 1 7.91 0.03 . 1 . . . . . 117 LYS H . 27798 1 508 . 1 1 117 117 LYS C C 13 178.31 0.20 . 1 . . . . . 117 LYS C . 27798 1 509 . 1 1 117 117 LYS CA C 13 61.13 0.20 . 1 . . . . . 117 LYS CA . 27798 1 510 . 1 1 117 117 LYS CB C 13 32.43 0.20 . 1 . . . . . 117 LYS CB . 27798 1 511 . 1 1 117 117 LYS N N 15 119.34 0.20 . 1 . . . . . 117 LYS N . 27798 1 512 . 1 1 118 118 MET H H 1 8.06 0.03 . 1 . . . . . 118 MET H . 27798 1 513 . 1 1 118 118 MET C C 13 178.66 0.20 . 1 . . . . . 118 MET C . 27798 1 514 . 1 1 118 118 MET CA C 13 57.68 0.20 . 1 . . . . . 118 MET CA . 27798 1 515 . 1 1 118 118 MET CB C 13 31.26 0.20 . 1 . . . . . 118 MET CB . 27798 1 516 . 1 1 118 118 MET N N 15 115.23 0.20 . 1 . . . . . 118 MET N . 27798 1 517 . 1 1 119 119 LEU H H 1 8.08 0.03 . 1 . . . . . 119 LEU H . 27798 1 518 . 1 1 119 119 LEU C C 13 180.47 0.20 . 1 . . . . . 119 LEU C . 27798 1 519 . 1 1 119 119 LEU CA C 13 56.56 0.20 . 1 . . . . . 119 LEU CA . 27798 1 520 . 1 1 119 119 LEU CB C 13 42.69 0.20 . 1 . . . . . 119 LEU CB . 27798 1 521 . 1 1 119 119 LEU N N 15 121.64 0.20 . 1 . . . . . 119 LEU N . 27798 1 522 . 1 1 120 120 LEU H H 1 7.71 0.03 . 1 . . . . . 120 LEU H . 27798 1 523 . 1 1 120 120 LEU C C 13 176.55 0.20 . 1 . . . . . 120 LEU C . 27798 1 524 . 1 1 120 120 LEU CA C 13 58.25 0.20 . 1 . . . . . 120 LEU CA . 27798 1 525 . 1 1 120 120 LEU CB C 13 41.10 0.20 . 1 . . . . . 120 LEU CB . 27798 1 526 . 1 1 120 120 LEU N N 15 118.82 0.20 . 1 . . . . . 120 LEU N . 27798 1 527 . 1 1 121 121 ILE H H 1 7.15 0.03 . 1 . . . . . 121 ILE H . 27798 1 528 . 1 1 121 121 ILE C C 13 175.89 0.20 . 1 . . . . . 121 ILE C . 27798 1 529 . 1 1 121 121 ILE CA C 13 63.87 0.20 . 1 . . . . . 121 ILE CA . 27798 1 530 . 1 1 121 121 ILE CB C 13 39.52 0.20 . 1 . . . . . 121 ILE CB . 27798 1 531 . 1 1 121 121 ILE N N 15 117.32 0.20 . 1 . . . . . 121 ILE N . 27798 1 532 . 1 1 122 122 HIS H H 1 8.66 0.03 . 1 . . . . . 122 HIS H . 27798 1 533 . 1 1 122 122 HIS CA C 13 52.38 0.20 . 1 . . . . . 122 HIS CA . 27798 1 534 . 1 1 122 122 HIS CB C 13 30.59 0.20 . 1 . . . . . 122 HIS CB . 27798 1 535 . 1 1 122 122 HIS N N 15 117.11 0.20 . 1 . . . . . 122 HIS N . 27798 1 536 . 1 1 123 123 PRO C C 13 174.99 0.20 . 1 . . . . . 123 PRO C . 27798 1 537 . 1 1 123 123 PRO CA C 13 62.67 0.20 . 1 . . . . . 123 PRO CA . 27798 1 538 . 1 1 123 123 PRO CB C 13 32.30 0.20 . 1 . . . . . 123 PRO CB . 27798 1 539 . 1 1 124 124 ASN H H 1 9.02 0.03 . 1 . . . . . 124 ASN H . 27798 1 540 . 1 1 124 124 ASN CA C 13 50.04 0.20 . 1 . . . . . 124 ASN CA . 27798 1 541 . 1 1 124 124 ASN CB C 13 40.46 0.20 . 1 . . . . . 124 ASN CB . 27798 1 542 . 1 1 124 124 ASN N N 15 120.13 0.20 . 1 . . . . . 124 ASN N . 27798 1 543 . 1 1 125 125 PRO C C 13 176.33 0.20 . 1 . . . . . 125 PRO C . 27798 1 544 . 1 1 125 125 PRO CA C 13 64.30 0.20 . 1 . . . . . 125 PRO CA . 27798 1 545 . 1 1 125 125 PRO CB C 13 32.31 0.20 . 1 . . . . . 125 PRO CB . 27798 1 546 . 1 1 126 126 GLU H H 1 8.23 0.03 . 1 . . . . . 126 GLU H . 27798 1 547 . 1 1 126 126 GLU C C 13 176.23 0.20 . 1 . . . . . 126 GLU C . 27798 1 548 . 1 1 126 126 GLU CA C 13 57.63 0.20 . 1 . . . . . 126 GLU CA . 27798 1 549 . 1 1 126 126 GLU CB C 13 29.58 0.20 . 1 . . . . . 126 GLU CB . 27798 1 550 . 1 1 126 126 GLU N N 15 118.86 0.20 . 1 . . . . . 126 GLU N . 27798 1 551 . 1 1 127 127 SER H H 1 7.59 0.03 . 1 . . . . . 127 SER H . 27798 1 552 . 1 1 127 127 SER C C 13 174.57 0.20 . 1 . . . . . 127 SER C . 27798 1 553 . 1 1 127 127 SER CA C 13 56.53 0.20 . 1 . . . . . 127 SER CA . 27798 1 554 . 1 1 127 127 SER CB C 13 62.65 0.20 . 1 . . . . . 127 SER CB . 27798 1 555 . 1 1 127 127 SER N N 15 115.23 0.20 . 1 . . . . . 127 SER N . 27798 1 556 . 1 1 128 128 ALA H H 1 7.80 0.03 . 1 . . . . . 128 ALA H . 27798 1 557 . 1 1 128 128 ALA C C 13 177.33 0.20 . 1 . . . . . 128 ALA C . 27798 1 558 . 1 1 128 128 ALA CA C 13 52.57 0.20 . 1 . . . . . 128 ALA CA . 27798 1 559 . 1 1 128 128 ALA CB C 13 18.85 0.20 . 1 . . . . . 128 ALA CB . 27798 1 560 . 1 1 128 128 ALA N N 15 124.36 0.20 . 1 . . . . . 128 ALA N . 27798 1 561 . 1 1 129 129 LEU H H 1 8.02 0.03 . 1 . . . . . 129 LEU H . 27798 1 562 . 1 1 129 129 LEU C C 13 177.42 0.20 . 1 . . . . . 129 LEU C . 27798 1 563 . 1 1 129 129 LEU CA C 13 55.70 0.20 . 1 . . . . . 129 LEU CA . 27798 1 564 . 1 1 129 129 LEU CB C 13 43.83 0.20 . 1 . . . . . 129 LEU CB . 27798 1 565 . 1 1 129 129 LEU N N 15 122.58 0.20 . 1 . . . . . 129 LEU N . 27798 1 566 . 1 1 130 130 ASN H H 1 7.79 0.03 . 1 . . . . . 130 ASN H . 27798 1 567 . 1 1 130 130 ASN C C 13 175.66 0.20 . 1 . . . . . 130 ASN C . 27798 1 568 . 1 1 130 130 ASN CA C 13 51.62 0.20 . 1 . . . . . 130 ASN CA . 27798 1 569 . 1 1 130 130 ASN CB C 13 37.80 0.20 . 1 . . . . . 130 ASN CB . 27798 1 570 . 1 1 130 130 ASN N N 15 117.40 0.20 . 1 . . . . . 130 ASN N . 27798 1 571 . 1 1 131 131 GLU H H 1 8.84 0.03 . 1 . . . . . 131 GLU H . 27798 1 572 . 1 1 131 131 GLU C C 13 178.65 0.20 . 1 . . . . . 131 GLU C . 27798 1 573 . 1 1 131 131 GLU CA C 13 59.62 0.20 . 1 . . . . . 131 GLU CA . 27798 1 574 . 1 1 131 131 GLU CB C 13 29.55 0.20 . 1 . . . . . 131 GLU CB . 27798 1 575 . 1 1 131 131 GLU N N 15 124.26 0.20 . 1 . . . . . 131 GLU N . 27798 1 576 . 1 1 132 132 GLU H H 1 8.33 0.03 . 1 . . . . . 132 GLU H . 27798 1 577 . 1 1 132 132 GLU C C 13 178.32 0.20 . 1 . . . . . 132 GLU C . 27798 1 578 . 1 1 132 132 GLU CA C 13 59.36 0.20 . 1 . . . . . 132 GLU CA . 27798 1 579 . 1 1 132 132 GLU CB C 13 29.72 0.20 . 1 . . . . . 132 GLU CB . 27798 1 580 . 1 1 132 132 GLU N N 15 121.04 0.20 . 1 . . . . . 132 GLU N . 27798 1 581 . 1 1 133 133 ALA H H 1 7.23 0.03 . 1 . . . . . 133 ALA H . 27798 1 582 . 1 1 133 133 ALA C C 13 179.05 0.20 . 1 . . . . . 133 ALA C . 27798 1 583 . 1 1 133 133 ALA CA C 13 54.91 0.20 . 1 . . . . . 133 ALA CA . 27798 1 584 . 1 1 133 133 ALA CB C 13 16.42 0.20 . 1 . . . . . 133 ALA CB . 27798 1 585 . 1 1 133 133 ALA N N 15 119.25 0.20 . 1 . . . . . 133 ALA N . 27798 1 586 . 1 1 134 134 GLY H H 1 8.26 0.03 . 1 . . . . . 134 GLY H . 27798 1 587 . 1 1 134 134 GLY C C 13 174.00 0.20 . 1 . . . . . 134 GLY C . 27798 1 588 . 1 1 134 134 GLY CA C 13 47.45 0.20 . 1 . . . . . 134 GLY CA . 27798 1 589 . 1 1 134 134 GLY N N 15 102.85 0.20 . 1 . . . . . 134 GLY N . 27798 1 590 . 1 1 135 135 ARG H H 1 8.13 0.03 . 1 . . . . . 135 ARG H . 27798 1 591 . 1 1 135 135 ARG C C 13 178.47 0.20 . 1 . . . . . 135 ARG C . 27798 1 592 . 1 1 135 135 ARG CA C 13 59.42 0.20 . 1 . . . . . 135 ARG CA . 27798 1 593 . 1 1 135 135 ARG CB C 13 30.03 0.20 . 1 . . . . . 135 ARG CB . 27798 1 594 . 1 1 135 135 ARG N N 15 120.38 0.20 . 1 . . . . . 135 ARG N . 27798 1 595 . 1 1 136 136 LEU H H 1 8.19 0.03 . 1 . . . . . 136 LEU H . 27798 1 596 . 1 1 136 136 LEU C C 13 177.82 0.20 . 1 . . . . . 136 LEU C . 27798 1 597 . 1 1 136 136 LEU CA C 13 57.78 0.20 . 1 . . . . . 136 LEU CA . 27798 1 598 . 1 1 136 136 LEU CB C 13 43.21 0.20 . 1 . . . . . 136 LEU CB . 27798 1 599 . 1 1 136 136 LEU N N 15 118.60 0.20 . 1 . . . . . 136 LEU N . 27798 1 600 . 1 1 137 137 LEU H H 1 7.84 0.03 . 1 . . . . . 137 LEU H . 27798 1 601 . 1 1 137 137 LEU C C 13 177.23 0.20 . 1 . . . . . 137 LEU C . 27798 1 602 . 1 1 137 137 LEU CA C 13 59.06 0.20 . 1 . . . . . 137 LEU CA . 27798 1 603 . 1 1 137 137 LEU CB C 13 41.85 0.20 . 1 . . . . . 137 LEU CB . 27798 1 604 . 1 1 137 137 LEU N N 15 118.25 0.20 . 1 . . . . . 137 LEU N . 27798 1 605 . 1 1 138 138 LEU H H 1 6.83 0.03 . 1 . . . . . 138 LEU H . 27798 1 606 . 1 1 138 138 LEU C C 13 179.39 0.20 . 1 . . . . . 138 LEU C . 27798 1 607 . 1 1 138 138 LEU CA C 13 56.37 0.20 . 1 . . . . . 138 LEU CA . 27798 1 608 . 1 1 138 138 LEU CB C 13 43.32 0.20 . 1 . . . . . 138 LEU CB . 27798 1 609 . 1 1 138 138 LEU N N 15 112.98 0.20 . 1 . . . . . 138 LEU N . 27798 1 610 . 1 1 139 139 GLU H H 1 8.53 0.03 . 1 . . . . . 139 GLU H . 27798 1 611 . 1 1 139 139 GLU C C 13 177.54 0.20 . 1 . . . . . 139 GLU C . 27798 1 612 . 1 1 139 139 GLU CA C 13 58.05 0.20 . 1 . . . . . 139 GLU CA . 27798 1 613 . 1 1 139 139 GLU CB C 13 31.68 0.20 . 1 . . . . . 139 GLU CB . 27798 1 614 . 1 1 139 139 GLU N N 15 117.73 0.20 . 1 . . . . . 139 GLU N . 27798 1 615 . 1 1 140 140 ASN H H 1 9.16 0.03 . 1 . . . . . 140 ASN H . 27798 1 616 . 1 1 140 140 ASN C C 13 173.69 0.20 . 1 . . . . . 140 ASN C . 27798 1 617 . 1 1 140 140 ASN CA C 13 52.55 0.20 . 1 . . . . . 140 ASN CA . 27798 1 618 . 1 1 140 140 ASN CB C 13 37.69 0.20 . 1 . . . . . 140 ASN CB . 27798 1 619 . 1 1 140 140 ASN N N 15 118.52 0.20 . 1 . . . . . 140 ASN N . 27798 1 620 . 1 1 141 141 TYR H H 1 9.13 0.03 . 1 . . . . . 141 TYR H . 27798 1 621 . 1 1 141 141 TYR C C 13 176.98 0.20 . 1 . . . . . 141 TYR C . 27798 1 622 . 1 1 141 141 TYR CA C 13 63.47 0.20 . 1 . . . . . 141 TYR CA . 27798 1 623 . 1 1 141 141 TYR CB C 13 38.55 0.20 . 1 . . . . . 141 TYR CB . 27798 1 624 . 1 1 141 141 TYR N N 15 126.82 0.20 . 1 . . . . . 141 TYR N . 27798 1 625 . 1 1 142 142 GLU H H 1 8.74 0.03 . 1 . . . . . 142 GLU H . 27798 1 626 . 1 1 142 142 GLU C C 13 179.50 0.20 . 1 . . . . . 142 GLU C . 27798 1 627 . 1 1 142 142 GLU CA C 13 59.81 0.20 . 1 . . . . . 142 GLU CA . 27798 1 628 . 1 1 142 142 GLU CB C 13 29.14 0.20 . 1 . . . . . 142 GLU CB . 27798 1 629 . 1 1 142 142 GLU N N 15 115.64 0.20 . 1 . . . . . 142 GLU N . 27798 1 630 . 1 1 143 143 GLU H H 1 7.59 0.03 . 1 . . . . . 143 GLU H . 27798 1 631 . 1 1 143 143 GLU C C 13 178.98 0.20 . 1 . . . . . 143 GLU C . 27798 1 632 . 1 1 143 143 GLU CA C 13 58.49 0.20 . 1 . . . . . 143 GLU CA . 27798 1 633 . 1 1 143 143 GLU CB C 13 29.67 0.20 . 1 . . . . . 143 GLU CB . 27798 1 634 . 1 1 143 143 GLU N N 15 121.11 0.20 . 1 . . . . . 143 GLU N . 27798 1 635 . 1 1 144 144 TYR H H 1 7.81 0.03 . 1 . . . . . 144 TYR H . 27798 1 636 . 1 1 144 144 TYR C C 13 175.64 0.20 . 1 . . . . . 144 TYR C . 27798 1 637 . 1 1 144 144 TYR CA C 13 61.33 0.20 . 1 . . . . . 144 TYR CA . 27798 1 638 . 1 1 144 144 TYR CB C 13 36.69 0.20 . 1 . . . . . 144 TYR CB . 27798 1 639 . 1 1 144 144 TYR N N 15 121.23 0.20 . 1 . . . . . 144 TYR N . 27798 1 640 . 1 1 145 145 ALA H H 1 8.67 0.03 . 1 . . . . . 145 ALA H . 27798 1 641 . 1 1 145 145 ALA C C 13 179.24 0.20 . 1 . . . . . 145 ALA C . 27798 1 642 . 1 1 145 145 ALA CA C 13 54.94 0.20 . 1 . . . . . 145 ALA CA . 27798 1 643 . 1 1 145 145 ALA CB C 13 17.56 0.20 . 1 . . . . . 145 ALA CB . 27798 1 644 . 1 1 145 145 ALA N N 15 121.51 0.20 . 1 . . . . . 145 ALA N . 27798 1 645 . 1 1 146 146 ALA H H 1 7.83 0.03 . 1 . . . . . 146 ALA H . 27798 1 646 . 1 1 146 146 ALA C C 13 180.76 0.20 . 1 . . . . . 146 ALA C . 27798 1 647 . 1 1 146 146 ALA CA C 13 55.00 0.20 . 1 . . . . . 146 ALA CA . 27798 1 648 . 1 1 146 146 ALA CB C 13 18.09 0.20 . 1 . . . . . 146 ALA CB . 27798 1 649 . 1 1 146 146 ALA N N 15 119.66 0.20 . 1 . . . . . 146 ALA N . 27798 1 650 . 1 1 147 147 ARG H H 1 7.84 0.03 . 1 . . . . . 147 ARG H . 27798 1 651 . 1 1 147 147 ARG C C 13 178.50 0.20 . 1 . . . . . 147 ARG C . 27798 1 652 . 1 1 147 147 ARG CA C 13 58.47 0.20 . 1 . . . . . 147 ARG CA . 27798 1 653 . 1 1 147 147 ARG CB C 13 29.16 0.20 . 1 . . . . . 147 ARG CB . 27798 1 654 . 1 1 147 147 ARG N N 15 119.63 0.20 . 1 . . . . . 147 ARG N . 27798 1 655 . 1 1 148 148 ALA H H 1 8.46 0.03 . 1 . . . . . 148 ALA H . 27798 1 656 . 1 1 148 148 ALA C C 13 180.76 0.20 . 1 . . . . . 148 ALA C . 27798 1 657 . 1 1 148 148 ALA CA C 13 55.02 0.20 . 1 . . . . . 148 ALA CA . 27798 1 658 . 1 1 148 148 ALA CB C 13 17.75 0.20 . 1 . . . . . 148 ALA CB . 27798 1 659 . 1 1 148 148 ALA N N 15 120.49 0.20 . 1 . . . . . 148 ALA N . 27798 1 660 . 1 1 149 149 ARG H H 1 8.52 0.03 . 1 . . . . . 149 ARG H . 27798 1 661 . 1 1 149 149 ARG C C 13 178.50 0.20 . 1 . . . . . 149 ARG C . 27798 1 662 . 1 1 149 149 ARG CA C 13 59.01 0.20 . 1 . . . . . 149 ARG CA . 27798 1 663 . 1 1 149 149 ARG CB C 13 30.59 0.20 . 1 . . . . . 149 ARG CB . 27798 1 664 . 1 1 149 149 ARG N N 15 121.05 0.20 . 1 . . . . . 149 ARG N . 27798 1 665 . 1 1 150 150 LEU H H 1 7.87 0.03 . 1 . . . . . 150 LEU H . 27798 1 666 . 1 1 150 150 LEU C C 13 179.03 0.20 . 1 . . . . . 150 LEU C . 27798 1 667 . 1 1 150 150 LEU CA C 13 57.93 0.20 . 1 . . . . . 150 LEU CA . 27798 1 668 . 1 1 150 150 LEU CB C 13 41.73 0.20 . 1 . . . . . 150 LEU CB . 27798 1 669 . 1 1 150 150 LEU N N 15 121.42 0.20 . 1 . . . . . 150 LEU N . 27798 1 670 . 1 1 151 151 LEU H H 1 7.71 0.03 . 1 . . . . . 151 LEU H . 27798 1 671 . 1 1 151 151 LEU C C 13 180.23 0.20 . 1 . . . . . 151 LEU C . 27798 1 672 . 1 1 151 151 LEU CA C 13 57.60 0.20 . 1 . . . . . 151 LEU CA . 27798 1 673 . 1 1 151 151 LEU CB C 13 41.32 0.20 . 1 . . . . . 151 LEU CB . 27798 1 674 . 1 1 151 151 LEU N N 15 116.14 0.20 . 1 . . . . . 151 LEU N . 27798 1 675 . 1 1 152 152 THR H H 1 7.95 0.03 . 1 . . . . . 152 THR H . 27798 1 676 . 1 1 152 152 THR C C 13 175.79 0.20 . 1 . . . . . 152 THR C . 27798 1 677 . 1 1 152 152 THR CA C 13 67.31 0.20 . 1 . . . . . 152 THR CA . 27798 1 678 . 1 1 152 152 THR CB C 13 68.61 0.20 . 1 . . . . . 152 THR CB . 27798 1 679 . 1 1 152 152 THR N N 15 121.31 0.20 . 1 . . . . . 152 THR N . 27798 1 680 . 1 1 153 153 GLU H H 1 8.29 0.03 . 1 . . . . . 153 GLU H . 27798 1 681 . 1 1 153 153 GLU C C 13 177.84 0.20 . 1 . . . . . 153 GLU C . 27798 1 682 . 1 1 153 153 GLU CA C 13 58.56 0.20 . 1 . . . . . 153 GLU CA . 27798 1 683 . 1 1 153 153 GLU CB C 13 29.56 0.20 . 1 . . . . . 153 GLU CB . 27798 1 684 . 1 1 153 153 GLU N N 15 124.22 0.20 . 1 . . . . . 153 GLU N . 27798 1 685 . 1 1 154 154 ILE H H 1 7.87 0.03 . 1 . . . . . 154 ILE H . 27798 1 686 . 1 1 154 154 ILE C C 13 177.35 0.20 . 1 . . . . . 154 ILE C . 27798 1 687 . 1 1 154 154 ILE CA C 13 63.42 0.20 . 1 . . . . . 154 ILE CA . 27798 1 688 . 1 1 154 154 ILE CB C 13 39.47 0.20 . 1 . . . . . 154 ILE CB . 27798 1 689 . 1 1 154 154 ILE N N 15 118.62 0.20 . 1 . . . . . 154 ILE N . 27798 1 690 . 1 1 155 155 HIS H H 1 8.20 0.03 . 1 . . . . . 155 HIS H . 27798 1 691 . 1 1 155 155 HIS C C 13 175.43 0.20 . 1 . . . . . 155 HIS C . 27798 1 692 . 1 1 155 155 HIS CA C 13 56.92 0.20 . 1 . . . . . 155 HIS CA . 27798 1 693 . 1 1 155 155 HIS CB C 13 32.22 0.20 . 1 . . . . . 155 HIS CB . 27798 1 694 . 1 1 155 155 HIS N N 15 118.02 0.20 . 1 . . . . . 155 HIS N . 27798 1 695 . 1 1 156 156 GLY H H 1 8.23 0.03 . 1 . . . . . 156 GLY H . 27798 1 696 . 1 1 156 156 GLY CA C 13 45.98 0.20 . 1 . . . . . 156 GLY CA . 27798 1 697 . 1 1 156 156 GLY N N 15 115.67 0.20 . 1 . . . . . 156 GLY N . 27798 1 stop_ save_