data_27090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27090 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Elongation factor P ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-02 _Entry.Accession_date 2017-05-02 _Entry.Last_release_date 2017-05-02 _Entry.Original_release_date 2017-05-02 _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 Jakub Macosek . . . . 27090 2 Janosch Hennig . . . . 27090 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hennig Group, EMBL Heidelberg' . 27090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 27090 '15N chemical shifts' 178 27090 '1H chemical shifts' 178 27090 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 . . 2017-10-03 . original BMRB . 27090 stop_ save_ ############### # Citations # ############### save_EarP _Citation.Sf_category citations _Citation.Sf_framecode EarP _Citation.Entry_ID 27090 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28951478 _Citation.Full_citation . _Citation.Title ; Structural Basis for EarP-Mediated Arginine Glycosylation of Translation Elongation Factor EF-P ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev MBio _Citation.Journal_name_full mBio _Citation.Journal_volume 8 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2150-7511 _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 e01412 _Citation.Page_last e01417 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ralph Krafczyk R. . . . 27090 1 2 Jakub Macosek J. . . . 27090 1 3 'Pravin Kumar Ankush' Jagtap . . . . 27090 1 4 Daniel Gast D. . . . 27090 1 5 Swetlana Wunder S. . . . 27090 1 6 Prithiba Mitra P. . . . 27090 1 7 'Amit Kumar' Jha A. K. . . 27090 1 8 Jurgen Rohr J. . . . 27090 1 9 Anja Hoffmann-Roder A. . . . 27090 1 10 Kirsten Jung K. . . . 27090 1 11 Janosch Hennig J. . . . 27090 1 12 Jurgen Lassak J. . . . 27090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27090 _Assembly.ID 1 _Assembly.Name 'Elongation factor P' _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 21303.1 _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 'Elongation factor P' 1 $EF-P A . yes native no no . . . 27090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EF-P _Entity.Sf_category entity _Entity.Sf_framecode EF-P _Entity.Entry_ID 27090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EF-P _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 ; MKTGKELKPGTVLRIDNDPW LVQKAEFTKSGRNSAIMKTK LKNLLTGYKTETVYGADDKL DDVILDRKEATLSFINGDEY TFMDTTDYTMYELNAEDIEA VLPYIEEGMEDVCEAVFFEG RLVSVELPTTISRKVVYTEN AARGDTSGKVMKPAKLANGT EISVADFIQIDEWIDIDTRD NSFKGRSKK ; _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 189 _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 21303.1 _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 . yes UNP A0A059UQW3 . 'Elongation factor P' . . . . . . . . . . . . . . 27090 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'translation factor' 27090 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 . MET . 27090 1 2 . LYS . 27090 1 3 . THR . 27090 1 4 . GLY . 27090 1 5 . LYS . 27090 1 6 . GLU . 27090 1 7 . LEU . 27090 1 8 . LYS . 27090 1 9 . PRO . 27090 1 10 . GLY . 27090 1 11 . THR . 27090 1 12 . VAL . 27090 1 13 . LEU . 27090 1 14 . ARG . 27090 1 15 . ILE . 27090 1 16 . ASP . 27090 1 17 . ASN . 27090 1 18 . ASP . 27090 1 19 . PRO . 27090 1 20 . TRP . 27090 1 21 . LEU . 27090 1 22 . VAL . 27090 1 23 . GLN . 27090 1 24 . LYS . 27090 1 25 . ALA . 27090 1 26 . GLU . 27090 1 27 . PHE . 27090 1 28 . THR . 27090 1 29 . LYS . 27090 1 30 . SER . 27090 1 31 . GLY . 27090 1 32 . ARG . 27090 1 33 . ASN . 27090 1 34 . SER . 27090 1 35 . ALA . 27090 1 36 . ILE . 27090 1 37 . MET . 27090 1 38 . LYS . 27090 1 39 . THR . 27090 1 40 . LYS . 27090 1 41 . LEU . 27090 1 42 . LYS . 27090 1 43 . ASN . 27090 1 44 . LEU . 27090 1 45 . LEU . 27090 1 46 . THR . 27090 1 47 . GLY . 27090 1 48 . TYR . 27090 1 49 . LYS . 27090 1 50 . THR . 27090 1 51 . GLU . 27090 1 52 . THR . 27090 1 53 . VAL . 27090 1 54 . TYR . 27090 1 55 . GLY . 27090 1 56 . ALA . 27090 1 57 . ASP . 27090 1 58 . ASP . 27090 1 59 . LYS . 27090 1 60 . LEU . 27090 1 61 . ASP . 27090 1 62 . ASP . 27090 1 63 . VAL . 27090 1 64 . ILE . 27090 1 65 . LEU . 27090 1 66 . ASP . 27090 1 67 . ARG . 27090 1 68 . LYS . 27090 1 69 . GLU . 27090 1 70 . ALA . 27090 1 71 . THR . 27090 1 72 . LEU . 27090 1 73 . SER . 27090 1 74 . PHE . 27090 1 75 . ILE . 27090 1 76 . ASN . 27090 1 77 . GLY . 27090 1 78 . ASP . 27090 1 79 . GLU . 27090 1 80 . TYR . 27090 1 81 . THR . 27090 1 82 . PHE . 27090 1 83 . MET . 27090 1 84 . ASP . 27090 1 85 . THR . 27090 1 86 . THR . 27090 1 87 . ASP . 27090 1 88 . TYR . 27090 1 89 . THR . 27090 1 90 . MET . 27090 1 91 . TYR . 27090 1 92 . GLU . 27090 1 93 . LEU . 27090 1 94 . ASN . 27090 1 95 . ALA . 27090 1 96 . GLU . 27090 1 97 . ASP . 27090 1 98 . ILE . 27090 1 99 . GLU . 27090 1 100 . ALA . 27090 1 101 . VAL . 27090 1 102 . LEU . 27090 1 103 . PRO . 27090 1 104 . TYR . 27090 1 105 . ILE . 27090 1 106 . GLU . 27090 1 107 . GLU . 27090 1 108 . GLY . 27090 1 109 . MET . 27090 1 110 . GLU . 27090 1 111 . ASP . 27090 1 112 . VAL . 27090 1 113 . CYS . 27090 1 114 . GLU . 27090 1 115 . ALA . 27090 1 116 . VAL . 27090 1 117 . PHE . 27090 1 118 . PHE . 27090 1 119 . GLU . 27090 1 120 . GLY . 27090 1 121 . ARG . 27090 1 122 . LEU . 27090 1 123 . VAL . 27090 1 124 . SER . 27090 1 125 . VAL . 27090 1 126 . GLU . 27090 1 127 . LEU . 27090 1 128 . PRO . 27090 1 129 . THR . 27090 1 130 . THR . 27090 1 131 . ILE . 27090 1 132 . SER . 27090 1 133 . ARG . 27090 1 134 . LYS . 27090 1 135 . VAL . 27090 1 136 . VAL . 27090 1 137 . TYR . 27090 1 138 . THR . 27090 1 139 . GLU . 27090 1 140 . ASN . 27090 1 141 . ALA . 27090 1 142 . ALA . 27090 1 143 . ARG . 27090 1 144 . GLY . 27090 1 145 . ASP . 27090 1 146 . THR . 27090 1 147 . SER . 27090 1 148 . GLY . 27090 1 149 . LYS . 27090 1 150 . VAL . 27090 1 151 . MET . 27090 1 152 . LYS . 27090 1 153 . PRO . 27090 1 154 . ALA . 27090 1 155 . LYS . 27090 1 156 . LEU . 27090 1 157 . ALA . 27090 1 158 . ASN . 27090 1 159 . GLY . 27090 1 160 . THR . 27090 1 161 . GLU . 27090 1 162 . ILE . 27090 1 163 . SER . 27090 1 164 . VAL . 27090 1 165 . ALA . 27090 1 166 . ASP . 27090 1 167 . PHE . 27090 1 168 . ILE . 27090 1 169 . GLN . 27090 1 170 . ILE . 27090 1 171 . ASP . 27090 1 172 . GLU . 27090 1 173 . TRP . 27090 1 174 . ILE . 27090 1 175 . ASP . 27090 1 176 . ILE . 27090 1 177 . ASP . 27090 1 178 . THR . 27090 1 179 . ARG . 27090 1 180 . ASP . 27090 1 181 . ASN . 27090 1 182 . SER . 27090 1 183 . PHE . 27090 1 184 . LYS . 27090 1 185 . GLY . 27090 1 186 . ARG . 27090 1 187 . SER . 27090 1 188 . LYS . 27090 1 189 . LYS . 27090 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 27090 1 . LYS 2 2 27090 1 . THR 3 3 27090 1 . GLY 4 4 27090 1 . LYS 5 5 27090 1 . GLU 6 6 27090 1 . LEU 7 7 27090 1 . LYS 8 8 27090 1 . PRO 9 9 27090 1 . GLY 10 10 27090 1 . THR 11 11 27090 1 . VAL 12 12 27090 1 . LEU 13 13 27090 1 . ARG 14 14 27090 1 . ILE 15 15 27090 1 . ASP 16 16 27090 1 . ASN 17 17 27090 1 . ASP 18 18 27090 1 . PRO 19 19 27090 1 . TRP 20 20 27090 1 . LEU 21 21 27090 1 . VAL 22 22 27090 1 . GLN 23 23 27090 1 . LYS 24 24 27090 1 . ALA 25 25 27090 1 . GLU 26 26 27090 1 . PHE 27 27 27090 1 . THR 28 28 27090 1 . LYS 29 29 27090 1 . SER 30 30 27090 1 . GLY 31 31 27090 1 . ARG 32 32 27090 1 . ASN 33 33 27090 1 . SER 34 34 27090 1 . ALA 35 35 27090 1 . ILE 36 36 27090 1 . MET 37 37 27090 1 . LYS 38 38 27090 1 . THR 39 39 27090 1 . LYS 40 40 27090 1 . LEU 41 41 27090 1 . LYS 42 42 27090 1 . ASN 43 43 27090 1 . LEU 44 44 27090 1 . LEU 45 45 27090 1 . THR 46 46 27090 1 . GLY 47 47 27090 1 . TYR 48 48 27090 1 . LYS 49 49 27090 1 . THR 50 50 27090 1 . GLU 51 51 27090 1 . THR 52 52 27090 1 . VAL 53 53 27090 1 . TYR 54 54 27090 1 . GLY 55 55 27090 1 . ALA 56 56 27090 1 . ASP 57 57 27090 1 . ASP 58 58 27090 1 . LYS 59 59 27090 1 . LEU 60 60 27090 1 . ASP 61 61 27090 1 . ASP 62 62 27090 1 . VAL 63 63 27090 1 . ILE 64 64 27090 1 . LEU 65 65 27090 1 . ASP 66 66 27090 1 . ARG 67 67 27090 1 . LYS 68 68 27090 1 . GLU 69 69 27090 1 . ALA 70 70 27090 1 . THR 71 71 27090 1 . LEU 72 72 27090 1 . SER 73 73 27090 1 . PHE 74 74 27090 1 . ILE 75 75 27090 1 . ASN 76 76 27090 1 . GLY 77 77 27090 1 . ASP 78 78 27090 1 . GLU 79 79 27090 1 . TYR 80 80 27090 1 . THR 81 81 27090 1 . PHE 82 82 27090 1 . MET 83 83 27090 1 . ASP 84 84 27090 1 . THR 85 85 27090 1 . THR 86 86 27090 1 . ASP 87 87 27090 1 . TYR 88 88 27090 1 . THR 89 89 27090 1 . MET 90 90 27090 1 . TYR 91 91 27090 1 . GLU 92 92 27090 1 . LEU 93 93 27090 1 . ASN 94 94 27090 1 . ALA 95 95 27090 1 . GLU 96 96 27090 1 . ASP 97 97 27090 1 . ILE 98 98 27090 1 . GLU 99 99 27090 1 . ALA 100 100 27090 1 . VAL 101 101 27090 1 . LEU 102 102 27090 1 . PRO 103 103 27090 1 . TYR 104 104 27090 1 . ILE 105 105 27090 1 . GLU 106 106 27090 1 . GLU 107 107 27090 1 . GLY 108 108 27090 1 . MET 109 109 27090 1 . GLU 110 110 27090 1 . ASP 111 111 27090 1 . VAL 112 112 27090 1 . CYS 113 113 27090 1 . GLU 114 114 27090 1 . ALA 115 115 27090 1 . VAL 116 116 27090 1 . PHE 117 117 27090 1 . PHE 118 118 27090 1 . GLU 119 119 27090 1 . GLY 120 120 27090 1 . ARG 121 121 27090 1 . LEU 122 122 27090 1 . VAL 123 123 27090 1 . SER 124 124 27090 1 . VAL 125 125 27090 1 . GLU 126 126 27090 1 . LEU 127 127 27090 1 . PRO 128 128 27090 1 . THR 129 129 27090 1 . THR 130 130 27090 1 . ILE 131 131 27090 1 . SER 132 132 27090 1 . ARG 133 133 27090 1 . LYS 134 134 27090 1 . VAL 135 135 27090 1 . VAL 136 136 27090 1 . TYR 137 137 27090 1 . THR 138 138 27090 1 . GLU 139 139 27090 1 . ASN 140 140 27090 1 . ALA 141 141 27090 1 . ALA 142 142 27090 1 . ARG 143 143 27090 1 . GLY 144 144 27090 1 . ASP 145 145 27090 1 . THR 146 146 27090 1 . SER 147 147 27090 1 . GLY 148 148 27090 1 . LYS 149 149 27090 1 . VAL 150 150 27090 1 . MET 151 151 27090 1 . LYS 152 152 27090 1 . PRO 153 153 27090 1 . ALA 154 154 27090 1 . LYS 155 155 27090 1 . LEU 156 156 27090 1 . ALA 157 157 27090 1 . ASN 158 158 27090 1 . GLY 159 159 27090 1 . THR 160 160 27090 1 . GLU 161 161 27090 1 . ILE 162 162 27090 1 . SER 163 163 27090 1 . VAL 164 164 27090 1 . ALA 165 165 27090 1 . ASP 166 166 27090 1 . PHE 167 167 27090 1 . ILE 168 168 27090 1 . GLN 169 169 27090 1 . ILE 170 170 27090 1 . ASP 171 171 27090 1 . GLU 172 172 27090 1 . TRP 173 173 27090 1 . ILE 174 174 27090 1 . ASP 175 175 27090 1 . ILE 176 176 27090 1 . ASP 177 177 27090 1 . THR 178 178 27090 1 . ARG 179 179 27090 1 . ASP 180 180 27090 1 . ASN 181 181 27090 1 . SER 182 182 27090 1 . PHE 183 183 27090 1 . LYS 184 184 27090 1 . GLY 185 185 27090 1 . ARG 186 186 27090 1 . SER 187 187 27090 1 . LYS 188 188 27090 1 . LYS 189 189 27090 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 27090 _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 $EF-P . 303 organism . 'Pseudomonas putida' 'Pseudomonas putida' . . Bacteria . Pseudomonas putida . . . . . . . . . . . . . 27090 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 27090 _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 $EF-P . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-SUMO . . . 27090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27090 _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 EF-P '[U-100% 13C; U-100% 15N]' . . 1 $EF-P . . 0.45 0.2 0.7 mM . . . . 27090 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 27090 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27090 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27090 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27090 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 27090 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 . pH 27090 1 pressure 1 . atm 27090 1 temperature 298 . K 27090 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27090 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27090 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27090 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27090 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27090 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27090 2 processing 27090 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27090 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27090 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27090 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27090 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27090 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27090 4 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 27090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27090 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27090 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27090 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27090 1 2 spectrometer_2 Bruker Avance . 700 . . . 27090 1 3 spectrometer_3 Bruker Avance . 800 . . . 27090 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 27090 _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 . . . . . . . . . . . . . . . . . . . . . 27090 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27090 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27090 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27090 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27090 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 27090 _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 water protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27090 1 H 1 water protons . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27090 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27090 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 27090 _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' . . . 27090 1 2 '3D CBCA(CO)NH' . . . 27090 1 3 '3D HNCACB' . . . 27090 1 4 '3D HNCA' . . . 27090 1 5 '3D HNCO' . . . 27090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.933 0.000 . 1 . . . . 1 MET C . 27090 1 2 . 1 1 1 1 MET CA C 13 55.744 0.051 . 1 . . . . 1 MET CA . 27090 1 3 . 1 1 1 1 MET CB C 13 32.698 0.068 . 1 . . . . 1 MET CB . 27090 1 4 . 1 1 2 2 LYS H H 1 8.779 0.004 . 1 . . . . 2 LYS HN . 27090 1 5 . 1 1 2 2 LYS C C 13 174.826 0.000 . 1 . . . . 2 LYS C . 27090 1 6 . 1 1 2 2 LYS CA C 13 54.280 0.112 . 1 . . . . 2 LYS CA . 27090 1 7 . 1 1 2 2 LYS CB C 13 37.215 0.079 . 1 . . . . 2 LYS CB . 27090 1 8 . 1 1 2 2 LYS N N 15 125.248 0.036 . 1 . . . . 2 LYS N . 27090 1 9 . 1 1 3 3 THR H H 1 8.240 0.002 . 1 . . . . 3 THR HN . 27090 1 10 . 1 1 3 3 THR C C 13 177.652 0.000 . 1 . . . . 3 THR C . 27090 1 11 . 1 1 3 3 THR CA C 13 59.633 0.074 . 1 . . . . 3 THR CA . 27090 1 12 . 1 1 3 3 THR CB C 13 72.037 0.154 . 1 . . . . 3 THR CB . 27090 1 13 . 1 1 3 3 THR N N 15 111.347 0.044 . 1 . . . . 3 THR N . 27090 1 14 . 1 1 4 4 GLY H H 1 8.076 0.003 . 1 . . . . 4 GLY HN . 27090 1 15 . 1 1 4 4 GLY C C 13 174.818 0.000 . 1 . . . . 4 GLY C . 27090 1 16 . 1 1 4 4 GLY CA C 13 47.383 0.077 . 1 . . . . 4 GLY CA . 27090 1 17 . 1 1 4 4 GLY N N 15 107.197 0.056 . 1 . . . . 4 GLY N . 27090 1 18 . 1 1 5 5 LYS H H 1 8.710 0.004 . 1 . . . . 5 LYS HN . 27090 1 19 . 1 1 5 5 LYS C C 13 176.045 0.000 . 1 . . . . 5 LYS C . 27090 1 20 . 1 1 5 5 LYS CA C 13 57.752 0.100 . 1 . . . . 5 LYS CA . 27090 1 21 . 1 1 5 5 LYS CB C 13 31.713 0.000 . 1 . . . . 5 LYS CB . 27090 1 22 . 1 1 5 5 LYS N N 15 114.468 0.036 . 1 . . . . 5 LYS N . 27090 1 23 . 1 1 6 6 GLU H H 1 7.874 0.002 . 1 . . . . 6 GLU HN . 27090 1 24 . 1 1 6 6 GLU C C 13 176.657 0.000 . 1 . . . . 6 GLU C . 27090 1 25 . 1 1 6 6 GLU CA C 13 55.796 0.049 . 1 . . . . 6 GLU CA . 27090 1 26 . 1 1 6 6 GLU CB C 13 31.889 0.106 . 1 . . . . 6 GLU CB . 27090 1 27 . 1 1 6 6 GLU N N 15 118.018 0.047 . 1 . . . . 6 GLU N . 27090 1 28 . 1 1 7 7 LEU H H 1 7.232 0.003 . 1 . . . . 7 LEU HN . 27090 1 29 . 1 1 7 7 LEU C C 13 174.808 0.000 . 1 . . . . 7 LEU C . 27090 1 30 . 1 1 7 7 LEU CA C 13 56.420 0.024 . 1 . . . . 7 LEU CA . 27090 1 31 . 1 1 7 7 LEU CB C 13 42.747 0.104 . 1 . . . . 7 LEU CB . 27090 1 32 . 1 1 7 7 LEU N N 15 118.778 0.031 . 1 . . . . 7 LEU N . 27090 1 33 . 1 1 8 8 LYS H H 1 6.989 0.004 . 1 . . . . 8 LYS HN . 27090 1 34 . 1 1 8 8 LYS CA C 13 52.983 0.077 . 1 . . . . 8 LYS CA . 27090 1 35 . 1 1 8 8 LYS CB C 13 33.882 0.000 . 1 . . . . 8 LYS CB . 27090 1 36 . 1 1 8 8 LYS N N 15 116.820 0.042 . 1 . . . . 8 LYS N . 27090 1 37 . 1 1 9 9 PRO C C 13 176.628 0.000 . 1 . . . . 9 PRO C . 27090 1 38 . 1 1 9 9 PRO CA C 13 63.234 0.149 . 1 . . . . 9 PRO CA . 27090 1 39 . 1 1 9 9 PRO CB C 13 30.862 0.177 . 1 . . . . 9 PRO CB . 27090 1 40 . 1 1 10 10 GLY H H 1 8.757 0.002 . 1 . . . . 10 GLY HN . 27090 1 41 . 1 1 10 10 GLY C C 13 174.295 0.000 . 1 . . . . 10 GLY C . 27090 1 42 . 1 1 10 10 GLY CA C 13 44.978 0.090 . 1 . . . . 10 GLY CA . 27090 1 43 . 1 1 10 10 GLY N N 15 112.649 0.035 . 1 . . . . 10 GLY N . 27090 1 44 . 1 1 11 11 THR H H 1 7.627 0.002 . 1 . . . . 11 THR HN . 27090 1 45 . 1 1 11 11 THR C C 13 171.880 0.000 . 1 . . . . 11 THR C . 27090 1 46 . 1 1 11 11 THR CA C 13 64.274 0.151 . 1 . . . . 11 THR CA . 27090 1 47 . 1 1 11 11 THR CB C 13 69.998 0.053 . 1 . . . . 11 THR CB . 27090 1 48 . 1 1 11 11 THR N N 15 116.926 0.066 . 1 . . . . 11 THR N . 27090 1 49 . 1 1 12 12 VAL H H 1 9.048 0.008 . 1 . . . . 12 VAL HN . 27090 1 50 . 1 1 12 12 VAL C C 13 174.175 0.000 . 1 . . . . 12 VAL C . 27090 1 51 . 1 1 12 12 VAL CA C 13 60.610 0.188 . 1 . . . . 12 VAL CA . 27090 1 52 . 1 1 12 12 VAL CB C 13 32.796 0.065 . 1 . . . . 12 VAL CB . 27090 1 53 . 1 1 12 12 VAL N N 15 127.611 0.065 . 1 . . . . 12 VAL N . 27090 1 54 . 1 1 13 13 LEU H H 1 9.280 0.003 . 1 . . . . 13 LEU HN . 27090 1 55 . 1 1 13 13 LEU C C 13 175.702 0.000 . 1 . . . . 13 LEU C . 27090 1 56 . 1 1 13 13 LEU CA C 13 52.210 0.239 . 1 . . . . 13 LEU CA . 27090 1 57 . 1 1 13 13 LEU CB C 13 45.827 0.210 . 1 . . . . 13 LEU CB . 27090 1 58 . 1 1 13 13 LEU N N 15 125.822 0.026 . 1 . . . . 13 LEU N . 27090 1 59 . 1 1 14 14 ARG H H 1 8.757 0.004 . 1 . . . . 14 ARG HN . 27090 1 60 . 1 1 14 14 ARG C C 13 176.051 0.000 . 1 . . . . 14 ARG C . 27090 1 61 . 1 1 14 14 ARG CA C 13 54.642 0.041 . 1 . . . . 14 ARG CA . 27090 1 62 . 1 1 14 14 ARG CB C 13 29.920 0.088 . 1 . . . . 14 ARG CB . 27090 1 63 . 1 1 14 14 ARG N N 15 122.558 0.056 . 1 . . . . 14 ARG N . 27090 1 64 . 1 1 15 15 ILE H H 1 9.087 0.004 . 1 . . . . 15 ILE HN . 27090 1 65 . 1 1 15 15 ILE C C 13 176.212 0.000 . 1 . . . . 15 ILE C . 27090 1 66 . 1 1 15 15 ILE CA C 13 61.205 0.017 . 1 . . . . 15 ILE CA . 27090 1 67 . 1 1 15 15 ILE CB C 13 40.208 0.160 . 1 . . . . 15 ILE CB . 27090 1 68 . 1 1 15 15 ILE N N 15 128.524 0.057 . 1 . . . . 15 ILE N . 27090 1 69 . 1 1 16 16 ASP H H 1 9.491 0.008 . 1 . . . . 16 ASP HN . 27090 1 70 . 1 1 16 16 ASP C C 13 175.291 0.000 . 1 . . . . 16 ASP C . 27090 1 71 . 1 1 16 16 ASP CA C 13 56.017 0.151 . 1 . . . . 16 ASP CA . 27090 1 72 . 1 1 16 16 ASP CB C 13 39.356 0.121 . 1 . . . . 16 ASP CB . 27090 1 73 . 1 1 16 16 ASP N N 15 130.194 0.068 . 1 . . . . 16 ASP N . 27090 1 74 . 1 1 17 17 ASN H H 1 8.669 0.003 . 1 . . . . 17 ASN HN . 27090 1 75 . 1 1 17 17 ASN C C 13 173.868 0.000 . 1 . . . . 17 ASN C . 27090 1 76 . 1 1 17 17 ASN CA C 13 55.829 0.032 . 1 . . . . 17 ASN CA . 27090 1 77 . 1 1 17 17 ASN CB C 13 39.166 0.173 . 1 . . . . 17 ASN CB . 27090 1 78 . 1 1 17 17 ASN N N 15 108.558 0.052 . 1 . . . . 17 ASN N . 27090 1 79 . 1 1 18 18 ASP H H 1 7.994 0.002 . 1 . . . . 18 ASP HN . 27090 1 80 . 1 1 18 18 ASP CA C 13 52.087 0.241 . 1 . . . . 18 ASP CA . 27090 1 81 . 1 1 18 18 ASP CB C 13 41.749 0.000 . 1 . . . . 18 ASP CB . 27090 1 82 . 1 1 18 18 ASP N N 15 122.580 0.048 . 1 . . . . 18 ASP N . 27090 1 83 . 1 1 19 19 PRO C C 13 175.703 0.000 . 1 . . . . 19 PRO C . 27090 1 84 . 1 1 19 19 PRO CA C 13 61.029 0.087 . 1 . . . . 19 PRO CA . 27090 1 85 . 1 1 19 19 PRO CB C 13 30.975 0.000 . 1 . . . . 19 PRO CB . 27090 1 86 . 1 1 20 20 TRP H H 1 9.709 0.003 . 1 . . . . 20 TRP HN . 27090 1 87 . 1 1 20 20 TRP C C 13 174.372 0.000 . 1 . . . . 20 TRP C . 27090 1 88 . 1 1 20 20 TRP CA C 13 54.921 0.095 . 1 . . . . 20 TRP CA . 27090 1 89 . 1 1 20 20 TRP CB C 13 31.054 0.259 . 1 . . . . 20 TRP CB . 27090 1 90 . 1 1 20 20 TRP N N 15 123.443 0.051 . 1 . . . . 20 TRP N . 27090 1 91 . 1 1 21 21 LEU H H 1 9.467 0.004 . 1 . . . . 21 LEU HN . 27090 1 92 . 1 1 21 21 LEU C C 13 176.227 0.000 . 1 . . . . 21 LEU C . 27090 1 93 . 1 1 21 21 LEU CA C 13 53.855 0.094 . 1 . . . . 21 LEU CA . 27090 1 94 . 1 1 21 21 LEU CB C 13 45.869 0.096 . 1 . . . . 21 LEU CB . 27090 1 95 . 1 1 21 21 LEU N N 15 124.691 0.073 . 1 . . . . 21 LEU N . 27090 1 96 . 1 1 22 22 VAL H H 1 9.308 0.003 . 1 . . . . 22 VAL HN . 27090 1 97 . 1 1 22 22 VAL C C 13 174.832 0.000 . 1 . . . . 22 VAL C . 27090 1 98 . 1 1 22 22 VAL CA C 13 62.346 0.029 . 1 . . . . 22 VAL CA . 27090 1 99 . 1 1 22 22 VAL CB C 13 30.587 0.000 . 1 . . . . 22 VAL CB . 27090 1 100 . 1 1 22 22 VAL N N 15 126.569 0.054 . 1 . . . . 22 VAL N . 27090 1 101 . 1 1 23 23 GLN H H 1 9.371 0.002 . 1 . . . . 23 GLN HN . 27090 1 102 . 1 1 23 23 GLN C C 13 176.304 0.000 . 1 . . . . 23 GLN C . 27090 1 103 . 1 1 23 23 GLN CA C 13 57.464 0.119 . 1 . . . . 23 GLN CA . 27090 1 104 . 1 1 23 23 GLN CB C 13 30.917 0.201 . 1 . . . . 23 GLN CB . 27090 1 105 . 1 1 23 23 GLN N N 15 128.476 0.050 . 1 . . . . 23 GLN N . 27090 1 106 . 1 1 24 24 LYS H H 1 7.550 0.004 . 1 . . . . 24 LYS HN . 27090 1 107 . 1 1 24 24 LYS C C 13 173.731 0.000 . 1 . . . . 24 LYS C . 27090 1 108 . 1 1 24 24 LYS CA C 13 55.758 0.051 . 1 . . . . 24 LYS CA . 27090 1 109 . 1 1 24 24 LYS CB C 13 37.171 0.000 . 1 . . . . 24 LYS CB . 27090 1 110 . 1 1 24 24 LYS N N 15 115.343 0.030 . 1 . . . . 24 LYS N . 27090 1 111 . 1 1 25 25 ALA H H 1 8.949 0.005 . 1 . . . . 25 ALA HN . 27090 1 112 . 1 1 25 25 ALA C C 13 174.361 0.000 . 1 . . . . 25 ALA C . 27090 1 113 . 1 1 25 25 ALA CA C 13 52.077 0.186 . 1 . . . . 25 ALA CA . 27090 1 114 . 1 1 25 25 ALA CB C 13 20.584 0.090 . 1 . . . . 25 ALA CB . 27090 1 115 . 1 1 25 25 ALA N N 15 127.621 0.055 . 1 . . . . 25 ALA N . 27090 1 116 . 1 1 26 26 GLU H H 1 8.826 0.003 . 1 . . . . 26 GLU HN . 27090 1 117 . 1 1 26 26 GLU C C 13 174.276 0.000 . 1 . . . . 26 GLU C . 27090 1 118 . 1 1 26 26 GLU CA C 13 54.872 0.097 . 1 . . . . 26 GLU CA . 27090 1 119 . 1 1 26 26 GLU CB C 13 32.745 0.020 . 1 . . . . 26 GLU CB . 27090 1 120 . 1 1 26 26 GLU N N 15 125.653 0.080 . 1 . . . . 26 GLU N . 27090 1 121 . 1 1 27 27 PHE H H 1 9.097 0.006 . 1 . . . . 27 PHE HN . 27090 1 122 . 1 1 27 27 PHE C C 13 176.180 0.000 . 1 . . . . 27 PHE C . 27090 1 123 . 1 1 27 27 PHE CA C 13 57.652 0.184 . 1 . . . . 27 PHE CA . 27090 1 124 . 1 1 27 27 PHE CB C 13 40.112 0.134 . 1 . . . . 27 PHE CB . 27090 1 125 . 1 1 27 27 PHE N N 15 131.891 0.101 . 1 . . . . 27 PHE N . 27090 1 126 . 1 1 28 28 THR H H 1 8.907 0.002 . 1 . . . . 28 THR HN . 27090 1 127 . 1 1 28 28 THR C C 13 172.035 0.000 . 1 . . . . 28 THR C . 27090 1 128 . 1 1 28 28 THR CA C 13 60.691 0.202 . 1 . . . . 28 THR CA . 27090 1 129 . 1 1 28 28 THR CB C 13 70.912 0.153 . 1 . . . . 28 THR CB . 27090 1 130 . 1 1 28 28 THR N N 15 123.273 0.038 . 1 . . . . 28 THR N . 27090 1 131 . 1 1 29 29 LYS H H 1 8.473 0.005 . 1 . . . . 29 LYS HN . 27090 1 132 . 1 1 29 29 LYS CA C 13 55.801 0.033 . 1 . . . . 29 LYS CA . 27090 1 133 . 1 1 29 29 LYS CB C 13 33.869 0.028 . 1 . . . . 29 LYS CB . 27090 1 134 . 1 1 29 29 LYS N N 15 124.443 0.072 . 1 . . . . 29 LYS N . 27090 1 135 . 1 1 30 30 SER H H 1 8.415 0.005 . 1 . . . . 30 SER HN . 27090 1 136 . 1 1 30 30 SER N N 15 118.224 0.031 . 1 . . . . 30 SER N . 27090 1 137 . 1 1 31 31 GLY H H 1 8.513 0.000 . 1 . . . . 31 GLY HN . 27090 1 138 . 1 1 31 31 GLY N N 15 111.784 0.000 . 1 . . . . 31 GLY N . 27090 1 139 . 1 1 32 32 ARG H H 1 8.454 0.000 . 1 . . . . 32 ARG HN . 27090 1 140 . 1 1 32 32 ARG N N 15 120.868 0.000 . 1 . . . . 32 ARG N . 27090 1 141 . 1 1 33 33 ASN H H 1 8.417 0.000 . 1 . . . . 33 ASN HN . 27090 1 142 . 1 1 33 33 ASN C C 13 174.401 0.000 . 1 . . . . 33 ASN C . 27090 1 143 . 1 1 33 33 ASN N N 15 116.571 0.000 . 1 . . . . 33 ASN N . 27090 1 144 . 1 1 34 34 SER H H 1 7.709 0.005 . 1 . . . . 34 SER HN . 27090 1 145 . 1 1 34 34 SER C C 13 173.321 0.000 . 1 . . . . 34 SER C . 27090 1 146 . 1 1 34 34 SER CA C 13 57.788 0.114 . 1 . . . . 34 SER CA . 27090 1 147 . 1 1 34 34 SER CB C 13 64.502 0.161 . 1 . . . . 34 SER CB . 27090 1 148 . 1 1 34 34 SER N N 15 113.669 0.041 . 1 . . . . 34 SER N . 27090 1 149 . 1 1 35 35 ALA H H 1 8.459 0.006 . 1 . . . . 35 ALA HN . 27090 1 150 . 1 1 35 35 ALA C C 13 176.213 0.000 . 1 . . . . 35 ALA C . 27090 1 151 . 1 1 35 35 ALA CA C 13 52.287 0.149 . 1 . . . . 35 ALA CA . 27090 1 152 . 1 1 35 35 ALA CB C 13 20.754 0.010 . 1 . . . . 35 ALA CB . 27090 1 153 . 1 1 35 35 ALA N N 15 126.266 0.074 . 1 . . . . 35 ALA N . 27090 1 154 . 1 1 36 36 ILE H H 1 8.256 0.004 . 1 . . . . 36 ILE HN . 27090 1 155 . 1 1 36 36 ILE C C 13 172.897 0.000 . 1 . . . . 36 ILE C . 27090 1 156 . 1 1 36 36 ILE CA C 13 59.149 0.066 . 1 . . . . 36 ILE CA . 27090 1 157 . 1 1 36 36 ILE CB C 13 42.626 0.000 . 1 . . . . 36 ILE CB . 27090 1 158 . 1 1 36 36 ILE N N 15 116.117 0.035 . 1 . . . . 36 ILE N . 27090 1 159 . 1 1 37 37 MET H H 1 9.297 0.005 . 1 . . . . 37 MET HN . 27090 1 160 . 1 1 37 37 MET C C 13 175.336 0.000 . 1 . . . . 37 MET C . 27090 1 161 . 1 1 37 37 MET CA C 13 53.005 0.122 . 1 . . . . 37 MET CA . 27090 1 162 . 1 1 37 37 MET CB C 13 34.091 0.178 . 1 . . . . 37 MET CB . 27090 1 163 . 1 1 37 37 MET N N 15 121.573 0.037 . 1 . . . . 37 MET N . 27090 1 164 . 1 1 38 38 LYS H H 1 9.051 0.003 . 1 . . . . 38 LYS HN . 27090 1 165 . 1 1 38 38 LYS C C 13 176.690 0.000 . 1 . . . . 38 LYS C . 27090 1 166 . 1 1 38 38 LYS CA C 13 56.869 0.026 . 1 . . . . 38 LYS CA . 27090 1 167 . 1 1 38 38 LYS CB C 13 32.782 0.128 . 1 . . . . 38 LYS CB . 27090 1 168 . 1 1 38 38 LYS N N 15 130.200 0.061 . 1 . . . . 38 LYS N . 27090 1 169 . 1 1 39 39 THR H H 1 8.818 0.003 . 1 . . . . 39 THR HN . 27090 1 170 . 1 1 39 39 THR C C 13 173.138 0.000 . 1 . . . . 39 THR C . 27090 1 171 . 1 1 39 39 THR CA C 13 61.030 0.153 . 1 . . . . 39 THR CA . 27090 1 172 . 1 1 39 39 THR CB C 13 71.141 0.097 . 1 . . . . 39 THR CB . 27090 1 173 . 1 1 39 39 THR N N 15 120.878 0.056 . 1 . . . . 39 THR N . 27090 1 174 . 1 1 40 40 LYS H H 1 8.306 0.003 . 1 . . . . 40 LYS HN . 27090 1 175 . 1 1 40 40 LYS C C 13 174.914 0.000 . 1 . . . . 40 LYS C . 27090 1 176 . 1 1 40 40 LYS CA C 13 55.842 0.040 . 1 . . . . 40 LYS CA . 27090 1 177 . 1 1 40 40 LYS CB C 13 34.839 0.134 . 1 . . . . 40 LYS CB . 27090 1 178 . 1 1 40 40 LYS N N 15 125.050 0.048 . 1 . . . . 40 LYS N . 27090 1 179 . 1 1 41 41 LEU H H 1 9.060 0.002 . 1 . . . . 41 LEU HN . 27090 1 180 . 1 1 41 41 LEU C C 13 176.206 0.000 . 1 . . . . 41 LEU C . 27090 1 181 . 1 1 41 41 LEU CA C 13 53.393 0.113 . 1 . . . . 41 LEU CA . 27090 1 182 . 1 1 41 41 LEU CB C 13 48.146 0.072 . 1 . . . . 41 LEU CB . 27090 1 183 . 1 1 41 41 LEU N N 15 125.433 0.056 . 1 . . . . 41 LEU N . 27090 1 184 . 1 1 42 42 LYS H H 1 9.155 0.005 . 1 . . . . 42 LYS HN . 27090 1 185 . 1 1 42 42 LYS C C 13 174.797 0.000 . 1 . . . . 42 LYS C . 27090 1 186 . 1 1 42 42 LYS CA C 13 54.381 0.114 . 1 . . . . 42 LYS CA . 27090 1 187 . 1 1 42 42 LYS CB C 13 36.116 0.022 . 1 . . . . 42 LYS CB . 27090 1 188 . 1 1 42 42 LYS N N 15 120.861 0.041 . 1 . . . . 42 LYS N . 27090 1 189 . 1 1 43 43 ASN H H 1 9.183 0.004 . 1 . . . . 43 ASN HN . 27090 1 190 . 1 1 43 43 ASN C C 13 177.073 0.000 . 1 . . . . 43 ASN C . 27090 1 191 . 1 1 43 43 ASN CA C 13 53.975 0.188 . 1 . . . . 43 ASN CA . 27090 1 192 . 1 1 43 43 ASN CB C 13 38.169 0.133 . 1 . . . . 43 ASN CB . 27090 1 193 . 1 1 43 43 ASN N N 15 131.019 0.052 . 1 . . . . 43 ASN N . 27090 1 194 . 1 1 44 44 LEU H H 1 8.521 0.002 . 1 . . . . 44 LEU HN . 27090 1 195 . 1 1 44 44 LEU C C 13 177.140 0.000 . 1 . . . . 44 LEU C . 27090 1 196 . 1 1 44 44 LEU CA C 13 56.724 0.078 . 1 . . . . 44 LEU CA . 27090 1 197 . 1 1 44 44 LEU CB C 13 41.734 0.171 . 1 . . . . 44 LEU CB . 27090 1 198 . 1 1 44 44 LEU N N 15 127.448 0.053 . 1 . . . . 44 LEU N . 27090 1 199 . 1 1 45 45 LEU H H 1 8.672 0.003 . 1 . . . . 45 LEU HN . 27090 1 200 . 1 1 45 45 LEU C C 13 179.062 0.000 . 1 . . . . 45 LEU C . 27090 1 201 . 1 1 45 45 LEU CA C 13 56.075 0.069 . 1 . . . . 45 LEU CA . 27090 1 202 . 1 1 45 45 LEU CB C 13 41.611 0.091 . 1 . . . . 45 LEU CB . 27090 1 203 . 1 1 45 45 LEU N N 15 116.972 0.039 . 1 . . . . 45 LEU N . 27090 1 204 . 1 1 46 46 THR H H 1 7.595 0.003 . 1 . . . . 46 THR HN . 27090 1 205 . 1 1 46 46 THR C C 13 176.351 0.000 . 1 . . . . 46 THR C . 27090 1 206 . 1 1 46 46 THR CA C 13 61.155 0.115 . 1 . . . . 46 THR CA . 27090 1 207 . 1 1 46 46 THR CB C 13 71.127 0.070 . 1 . . . . 46 THR CB . 27090 1 208 . 1 1 46 46 THR N N 15 106.830 0.053 . 1 . . . . 46 THR N . 27090 1 209 . 1 1 47 47 GLY H H 1 8.168 0.004 . 1 . . . . 47 GLY HN . 27090 1 210 . 1 1 47 47 GLY C C 13 172.978 0.000 . 1 . . . . 47 GLY C . 27090 1 211 . 1 1 47 47 GLY CA C 13 45.409 0.086 . 1 . . . . 47 GLY CA . 27090 1 212 . 1 1 47 47 GLY N N 15 111.683 0.045 . 1 . . . . 47 GLY N . 27090 1 213 . 1 1 48 48 TYR H H 1 7.484 0.002 . 1 . . . . 48 TYR HN . 27090 1 214 . 1 1 48 48 TYR C C 13 173.878 0.000 . 1 . . . . 48 TYR C . 27090 1 215 . 1 1 48 48 TYR CA C 13 59.008 0.042 . 1 . . . . 48 TYR CA . 27090 1 216 . 1 1 48 48 TYR CB C 13 39.319 0.053 . 1 . . . . 48 TYR CB . 27090 1 217 . 1 1 48 48 TYR N N 15 121.309 0.028 . 1 . . . . 48 TYR N . 27090 1 218 . 1 1 49 49 LYS H H 1 7.747 0.002 . 1 . . . . 49 LYS HN . 27090 1 219 . 1 1 49 49 LYS C C 13 175.743 0.000 . 1 . . . . 49 LYS C . 27090 1 220 . 1 1 49 49 LYS CA C 13 54.762 0.023 . 1 . . . . 49 LYS CA . 27090 1 221 . 1 1 49 49 LYS CB C 13 35.262 0.111 . 1 . . . . 49 LYS CB . 27090 1 222 . 1 1 49 49 LYS N N 15 124.612 0.062 . 1 . . . . 49 LYS N . 27090 1 223 . 1 1 50 50 THR H H 1 8.742 0.003 . 1 . . . . 50 THR HN . 27090 1 224 . 1 1 50 50 THR C C 13 171.311 0.000 . 1 . . . . 50 THR C . 27090 1 225 . 1 1 50 50 THR CA C 13 60.017 0.078 . 1 . . . . 50 THR CA . 27090 1 226 . 1 1 50 50 THR CB C 13 70.957 0.145 . 1 . . . . 50 THR CB . 27090 1 227 . 1 1 50 50 THR N N 15 114.006 0.037 . 1 . . . . 50 THR N . 27090 1 228 . 1 1 51 51 GLU H H 1 7.996 0.001 . 1 . . . . 51 GLU HN . 27090 1 229 . 1 1 51 51 GLU C C 13 175.312 0.000 . 1 . . . . 51 GLU C . 27090 1 230 . 1 1 51 51 GLU CA C 13 54.766 0.022 . 1 . . . . 51 GLU CA . 27090 1 231 . 1 1 51 51 GLU CB C 13 32.704 0.147 . 1 . . . . 51 GLU CB . 27090 1 232 . 1 1 51 51 GLU N N 15 123.027 0.042 . 1 . . . . 51 GLU N . 27090 1 233 . 1 1 52 52 THR H H 1 8.526 0.004 . 1 . . . . 52 THR HN . 27090 1 234 . 1 1 52 52 THR C C 13 172.024 0.000 . 1 . . . . 52 THR C . 27090 1 235 . 1 1 52 52 THR CA C 13 60.261 0.059 . 1 . . . . 52 THR CA . 27090 1 236 . 1 1 52 52 THR CB C 13 71.117 0.025 . 1 . . . . 52 THR CB . 27090 1 237 . 1 1 52 52 THR N N 15 119.094 0.049 . 1 . . . . 52 THR N . 27090 1 238 . 1 1 53 53 VAL H H 1 8.102 0.009 . 1 . . . . 53 VAL HN . 27090 1 239 . 1 1 53 53 VAL C C 13 174.319 0.000 . 1 . . . . 53 VAL C . 27090 1 240 . 1 1 53 53 VAL CA C 13 60.417 0.203 . 1 . . . . 53 VAL CA . 27090 1 241 . 1 1 53 53 VAL CB C 13 33.757 0.117 . 1 . . . . 53 VAL CB . 27090 1 242 . 1 1 53 53 VAL N N 15 123.487 0.078 . 1 . . . . 53 VAL N . 27090 1 243 . 1 1 54 54 TYR H H 1 8.666 0.003 . 1 . . . . 54 TYR HN . 27090 1 244 . 1 1 54 54 TYR C C 13 175.916 0.000 . 1 . . . . 54 TYR C . 27090 1 245 . 1 1 54 54 TYR CA C 13 57.010 0.131 . 1 . . . . 54 TYR CA . 27090 1 246 . 1 1 54 54 TYR CB C 13 41.772 0.130 . 1 . . . . 54 TYR CB . 27090 1 247 . 1 1 54 54 TYR N N 15 124.427 0.084 . 1 . . . . 54 TYR N . 27090 1 248 . 1 1 55 55 GLY H H 1 9.008 0.004 . 1 . . . . 55 GLY HN . 27090 1 249 . 1 1 55 55 GLY C C 13 175.303 0.000 . 1 . . . . 55 GLY C . 27090 1 250 . 1 1 55 55 GLY CA C 13 45.559 0.103 . 1 . . . . 55 GLY CA . 27090 1 251 . 1 1 55 55 GLY N N 15 109.942 0.044 . 1 . . . . 55 GLY N . 27090 1 252 . 1 1 56 56 ALA H H 1 8.169 0.002 . 1 . . . . 56 ALA HN . 27090 1 253 . 1 1 56 56 ALA C C 13 177.649 0.000 . 1 . . . . 56 ALA C . 27090 1 254 . 1 1 56 56 ALA CA C 13 54.745 0.023 . 1 . . . . 56 ALA CA . 27090 1 255 . 1 1 56 56 ALA CB C 13 19.734 0.139 . 1 . . . . 56 ALA CB . 27090 1 256 . 1 1 56 56 ALA N N 15 122.963 0.040 . 1 . . . . 56 ALA N . 27090 1 257 . 1 1 57 57 ASP H H 1 8.465 0.004 . 1 . . . . 57 ASP HN . 27090 1 258 . 1 1 57 57 ASP C C 13 176.199 0.000 . 1 . . . . 57 ASP C . 27090 1 259 . 1 1 57 57 ASP CA C 13 53.203 0.309 . 1 . . . . 57 ASP CA . 27090 1 260 . 1 1 57 57 ASP CB C 13 41.427 0.126 . 1 . . . . 57 ASP CB . 27090 1 261 . 1 1 57 57 ASP N N 15 111.028 0.031 . 1 . . . . 57 ASP N . 27090 1 262 . 1 1 58 58 ASP H H 1 7.355 0.002 . 1 . . . . 58 ASP HN . 27090 1 263 . 1 1 58 58 ASP C C 13 175.240 0.000 . 1 . . . . 58 ASP C . 27090 1 264 . 1 1 58 58 ASP CA C 13 55.540 0.118 . 1 . . . . 58 ASP CA . 27090 1 265 . 1 1 58 58 ASP CB C 13 40.490 0.031 . 1 . . . . 58 ASP CB . 27090 1 266 . 1 1 58 58 ASP N N 15 122.723 0.034 . 1 . . . . 58 ASP N . 27090 1 267 . 1 1 59 59 LYS H H 1 8.355 0.006 . 1 . . . . 59 LYS HN . 27090 1 268 . 1 1 59 59 LYS C C 13 175.766 0.000 . 1 . . . . 59 LYS C . 27090 1 269 . 1 1 59 59 LYS CA C 13 56.672 0.079 . 1 . . . . 59 LYS CA . 27090 1 270 . 1 1 59 59 LYS CB C 13 33.007 0.156 . 1 . . . . 59 LYS CB . 27090 1 271 . 1 1 59 59 LYS N N 15 120.242 0.050 . 1 . . . . 59 LYS N . 27090 1 272 . 1 1 60 60 LEU H H 1 8.928 0.003 . 1 . . . . 60 LEU HN . 27090 1 273 . 1 1 60 60 LEU C C 13 175.024 0.000 . 1 . . . . 60 LEU C . 27090 1 274 . 1 1 60 60 LEU CA C 13 53.216 0.197 . 1 . . . . 60 LEU CA . 27090 1 275 . 1 1 60 60 LEU CB C 13 44.548 0.146 . 1 . . . . 60 LEU CB . 27090 1 276 . 1 1 60 60 LEU N N 15 125.949 0.045 . 1 . . . . 60 LEU N . 27090 1 277 . 1 1 61 61 ASP H H 1 8.777 0.003 . 1 . . . . 61 ASP HN . 27090 1 278 . 1 1 61 61 ASP C C 13 173.384 0.000 . 1 . . . . 61 ASP C . 27090 1 279 . 1 1 61 61 ASP CA C 13 53.519 0.107 . 1 . . . . 61 ASP CA . 27090 1 280 . 1 1 61 61 ASP CB C 13 41.552 0.000 . 1 . . . . 61 ASP CB . 27090 1 281 . 1 1 61 61 ASP N N 15 122.776 0.038 . 1 . . . . 61 ASP N . 27090 1 282 . 1 1 62 62 ASP H H 1 8.892 0.002 . 1 . . . . 62 ASP HN . 27090 1 283 . 1 1 62 62 ASP C C 13 174.995 0.000 . 1 . . . . 62 ASP C . 27090 1 284 . 1 1 62 62 ASP CA C 13 52.330 0.113 . 1 . . . . 62 ASP CA . 27090 1 285 . 1 1 62 62 ASP CB C 13 41.448 0.165 . 1 . . . . 62 ASP CB . 27090 1 286 . 1 1 62 62 ASP N N 15 121.403 0.044 . 1 . . . . 62 ASP N . 27090 1 287 . 1 1 63 63 VAL H H 1 8.157 0.003 . 1 . . . . 63 VAL HN . 27090 1 288 . 1 1 63 63 VAL C C 13 174.940 0.000 . 1 . . . . 63 VAL C . 27090 1 289 . 1 1 63 63 VAL CA C 13 60.553 0.188 . 1 . . . . 63 VAL CA . 27090 1 290 . 1 1 63 63 VAL CB C 13 33.865 0.023 . 1 . . . . 63 VAL CB . 27090 1 291 . 1 1 63 63 VAL N N 15 119.268 0.032 . 1 . . . . 63 VAL N . 27090 1 292 . 1 1 64 64 ILE H H 1 8.464 0.006 . 1 . . . . 64 ILE HN . 27090 1 293 . 1 1 64 64 ILE C C 13 175.892 0.000 . 1 . . . . 64 ILE C . 27090 1 294 . 1 1 64 64 ILE CA C 13 60.846 0.084 . 1 . . . . 64 ILE CA . 27090 1 295 . 1 1 64 64 ILE CB C 13 37.097 0.074 . 1 . . . . 64 ILE CB . 27090 1 296 . 1 1 64 64 ILE N N 15 126.456 0.060 . 1 . . . . 64 ILE N . 27090 1 297 . 1 1 65 65 LEU H H 1 8.282 0.007 . 1 . . . . 65 LEU HN . 27090 1 298 . 1 1 65 65 LEU C C 13 177.118 0.000 . 1 . . . . 65 LEU C . 27090 1 299 . 1 1 65 65 LEU CA C 13 53.811 0.104 . 1 . . . . 65 LEU CA . 27090 1 300 . 1 1 65 65 LEU CB C 13 42.666 0.024 . 1 . . . . 65 LEU CB . 27090 1 301 . 1 1 65 65 LEU N N 15 128.661 0.073 . 1 . . . . 65 LEU N . 27090 1 302 . 1 1 66 66 ASP H H 1 8.523 0.009 . 1 . . . . 66 ASP HN . 27090 1 303 . 1 1 66 66 ASP C C 13 175.261 0.000 . 1 . . . . 66 ASP C . 27090 1 304 . 1 1 66 66 ASP CA C 13 54.389 0.076 . 1 . . . . 66 ASP CA . 27090 1 305 . 1 1 66 66 ASP CB C 13 42.654 0.004 . 1 . . . . 66 ASP CB . 27090 1 306 . 1 1 66 66 ASP N N 15 121.283 0.049 . 1 . . . . 66 ASP N . 27090 1 307 . 1 1 67 67 ARG H H 1 8.384 0.006 . 1 . . . . 67 ARG HN . 27090 1 308 . 1 1 67 67 ARG C C 13 176.164 0.000 . 1 . . . . 67 ARG C . 27090 1 309 . 1 1 67 67 ARG CA C 13 55.117 0.133 . 1 . . . . 67 ARG CA . 27090 1 310 . 1 1 67 67 ARG CB C 13 33.865 0.034 . 1 . . . . 67 ARG CB . 27090 1 311 . 1 1 67 67 ARG N N 15 119.574 0.058 . 1 . . . . 67 ARG N . 27090 1 312 . 1 1 68 68 LYS H H 1 9.103 0.004 . 1 . . . . 68 LYS HN . 27090 1 313 . 1 1 68 68 LYS C C 13 175.264 0.000 . 1 . . . . 68 LYS C . 27090 1 314 . 1 1 68 68 LYS CA C 13 54.849 0.082 . 1 . . . . 68 LYS CA . 27090 1 315 . 1 1 68 68 LYS CB C 13 36.083 0.009 . 1 . . . . 68 LYS CB . 27090 1 316 . 1 1 68 68 LYS N N 15 122.189 0.051 . 1 . . . . 68 LYS N . 27090 1 317 . 1 1 69 69 GLU H H 1 8.452 0.007 . 1 . . . . 69 GLU HN . 27090 1 318 . 1 1 69 69 GLU C C 13 176.196 0.000 . 1 . . . . 69 GLU C . 27090 1 319 . 1 1 69 69 GLU CA C 13 56.940 0.053 . 1 . . . . 69 GLU CA . 27090 1 320 . 1 1 69 69 GLU CB C 13 31.678 0.047 . 1 . . . . 69 GLU CB . 27090 1 321 . 1 1 69 69 GLU N N 15 122.506 0.041 . 1 . . . . 69 GLU N . 27090 1 322 . 1 1 70 70 ALA H H 1 8.980 0.006 . 1 . . . . 70 ALA HN . 27090 1 323 . 1 1 70 70 ALA C C 13 175.350 0.000 . 1 . . . . 70 ALA C . 27090 1 324 . 1 1 70 70 ALA CA C 13 51.522 0.057 . 1 . . . . 70 ALA CA . 27090 1 325 . 1 1 70 70 ALA CB C 13 23.038 0.157 . 1 . . . . 70 ALA CB . 27090 1 326 . 1 1 70 70 ALA N N 15 123.177 0.061 . 1 . . . . 70 ALA N . 27090 1 327 . 1 1 71 71 THR H H 1 8.793 0.003 . 1 . . . . 71 THR HN . 27090 1 328 . 1 1 71 71 THR C C 13 174.789 0.000 . 1 . . . . 71 THR C . 27090 1 329 . 1 1 71 71 THR CA C 13 58.868 0.134 . 1 . . . . 71 THR CA . 27090 1 330 . 1 1 71 71 THR CB C 13 71.111 0.076 . 1 . . . . 71 THR CB . 27090 1 331 . 1 1 71 71 THR N N 15 109.231 0.035 . 1 . . . . 71 THR N . 27090 1 332 . 1 1 72 72 LEU H H 1 9.620 0.006 . 1 . . . . 72 LEU HN . 27090 1 333 . 1 1 72 72 LEU C C 13 176.235 0.000 . 1 . . . . 72 LEU C . 27090 1 334 . 1 1 72 72 LEU CA C 13 56.180 0.087 . 1 . . . . 72 LEU CA . 27090 1 335 . 1 1 72 72 LEU CB C 13 42.594 0.000 . 1 . . . . 72 LEU CB . 27090 1 336 . 1 1 72 72 LEU N N 15 124.300 0.058 . 1 . . . . 72 LEU N . 27090 1 337 . 1 1 73 73 SER H H 1 9.451 0.004 . 1 . . . . 73 SER HN . 27090 1 338 . 1 1 73 73 SER C C 13 174.324 0.000 . 1 . . . . 73 SER C . 27090 1 339 . 1 1 73 73 SER CA C 13 59.984 0.089 . 1 . . . . 73 SER CA . 27090 1 340 . 1 1 73 73 SER CB C 13 64.587 0.058 . 1 . . . . 73 SER CB . 27090 1 341 . 1 1 73 73 SER N N 15 125.261 0.062 . 1 . . . . 73 SER N . 27090 1 342 . 1 1 74 74 PHE H H 1 7.510 0.002 . 1 . . . . 74 PHE HN . 27090 1 343 . 1 1 74 74 PHE C C 13 171.990 0.000 . 1 . . . . 74 PHE C . 27090 1 344 . 1 1 74 74 PHE CA C 13 56.976 0.075 . 1 . . . . 74 PHE CA . 27090 1 345 . 1 1 74 74 PHE CB C 13 41.448 0.135 . 1 . . . . 74 PHE CB . 27090 1 346 . 1 1 74 74 PHE N N 15 114.613 0.046 . 1 . . . . 74 PHE N . 27090 1 347 . 1 1 75 75 ILE H H 1 8.350 0.004 . 1 . . . . 75 ILE HN . 27090 1 348 . 1 1 75 75 ILE C C 13 174.796 0.000 . 1 . . . . 75 ILE C . 27090 1 349 . 1 1 75 75 ILE CA C 13 61.132 0.038 . 1 . . . . 75 ILE CA . 27090 1 350 . 1 1 75 75 ILE CB C 13 40.676 0.054 . 1 . . . . 75 ILE CB . 27090 1 351 . 1 1 75 75 ILE N N 15 121.069 0.033 . 1 . . . . 75 ILE N . 27090 1 352 . 1 1 76 76 ASN H H 1 8.615 0.002 . 1 . . . . 76 ASN HN . 27090 1 353 . 1 1 76 76 ASN C C 13 174.864 0.000 . 1 . . . . 76 ASN C . 27090 1 354 . 1 1 76 76 ASN CA C 13 51.510 0.060 . 1 . . . . 76 ASN CA . 27090 1 355 . 1 1 76 76 ASN CB C 13 39.610 0.107 . 1 . . . . 76 ASN CB . 27090 1 356 . 1 1 76 76 ASN N N 15 125.754 0.050 . 1 . . . . 76 ASN N . 27090 1 357 . 1 1 77 77 GLY H H 1 8.944 0.006 . 1 . . . . 77 GLY HN . 27090 1 358 . 1 1 77 77 GLY C C 13 172.984 0.000 . 1 . . . . 77 GLY C . 27090 1 359 . 1 1 77 77 GLY CA C 13 47.674 0.230 . 1 . . . . 77 GLY CA . 27090 1 360 . 1 1 77 77 GLY N N 15 116.329 0.041 . 1 . . . . 77 GLY N . 27090 1 361 . 1 1 78 78 ASP H H 1 8.546 0.004 . 1 . . . . 78 ASP HN . 27090 1 362 . 1 1 78 78 ASP C C 13 173.848 0.000 . 1 . . . . 78 ASP C . 27090 1 363 . 1 1 78 78 ASP CA C 13 53.675 0.065 . 1 . . . . 78 ASP CA . 27090 1 364 . 1 1 78 78 ASP CB C 13 41.147 0.095 . 1 . . . . 78 ASP CB . 27090 1 365 . 1 1 78 78 ASP N N 15 126.276 0.033 . 1 . . . . 78 ASP N . 27090 1 366 . 1 1 79 79 GLU H H 1 7.735 0.003 . 1 . . . . 79 GLU HN . 27090 1 367 . 1 1 79 79 GLU C C 13 175.207 0.000 . 1 . . . . 79 GLU C . 27090 1 368 . 1 1 79 79 GLU CA C 13 55.345 0.002 . 1 . . . . 79 GLU CA . 27090 1 369 . 1 1 79 79 GLU CB C 13 30.743 0.142 . 1 . . . . 79 GLU CB . 27090 1 370 . 1 1 79 79 GLU N N 15 118.615 0.053 . 1 . . . . 79 GLU N . 27090 1 371 . 1 1 80 80 TYR H H 1 9.523 0.003 . 1 . . . . 80 TYR HN . 27090 1 372 . 1 1 80 80 TYR C C 13 174.307 0.000 . 1 . . . . 80 TYR C . 27090 1 373 . 1 1 80 80 TYR CA C 13 57.663 0.137 . 1 . . . . 80 TYR CA . 27090 1 374 . 1 1 80 80 TYR CB C 13 40.875 0.086 . 1 . . . . 80 TYR CB . 27090 1 375 . 1 1 80 80 TYR N N 15 127.343 0.045 . 1 . . . . 80 TYR N . 27090 1 376 . 1 1 81 81 THR H H 1 8.592 0.004 . 1 . . . . 81 THR HN . 27090 1 377 . 1 1 81 81 THR C C 13 173.425 0.000 . 1 . . . . 81 THR C . 27090 1 378 . 1 1 81 81 THR CA C 13 62.151 0.050 . 1 . . . . 81 THR CA . 27090 1 379 . 1 1 81 81 THR CB C 13 69.002 0.057 . 1 . . . . 81 THR CB . 27090 1 380 . 1 1 81 81 THR N N 15 119.118 0.062 . 1 . . . . 81 THR N . 27090 1 381 . 1 1 82 82 PHE H H 1 9.682 0.004 . 1 . . . . 82 PHE HN . 27090 1 382 . 1 1 82 82 PHE C C 13 172.951 0.000 . 1 . . . . 82 PHE C . 27090 1 383 . 1 1 82 82 PHE CA C 13 56.063 0.144 . 1 . . . . 82 PHE CA . 27090 1 384 . 1 1 82 82 PHE CB C 13 42.604 0.051 . 1 . . . . 82 PHE CB . 27090 1 385 . 1 1 82 82 PHE N N 15 127.927 0.084 . 1 . . . . 82 PHE N . 27090 1 386 . 1 1 83 83 MET H H 1 9.767 0.004 . 1 . . . . 83 MET HN . 27090 1 387 . 1 1 83 83 MET C C 13 175.382 0.000 . 1 . . . . 83 MET C . 27090 1 388 . 1 1 83 83 MET CA C 13 53.762 0.098 . 1 . . . . 83 MET CA . 27090 1 389 . 1 1 83 83 MET CB C 13 37.142 0.044 . 1 . . . . 83 MET CB . 27090 1 390 . 1 1 83 83 MET N N 15 122.057 0.051 . 1 . . . . 83 MET N . 27090 1 391 . 1 1 84 84 ASP H H 1 9.077 0.006 . 1 . . . . 84 ASP HN . 27090 1 392 . 1 1 84 84 ASP C C 13 178.093 0.000 . 1 . . . . 84 ASP C . 27090 1 393 . 1 1 84 84 ASP CA C 13 55.046 0.171 . 1 . . . . 84 ASP CA . 27090 1 394 . 1 1 84 84 ASP CB C 13 44.778 0.122 . 1 . . . . 84 ASP CB . 27090 1 395 . 1 1 84 84 ASP N N 15 128.418 0.078 . 1 . . . . 84 ASP N . 27090 1 396 . 1 1 85 85 THR H H 1 8.277 0.002 . 1 . . . . 85 THR HN . 27090 1 397 . 1 1 85 85 THR C C 13 175.043 0.000 . 1 . . . . 85 THR C . 27090 1 398 . 1 1 85 85 THR CA C 13 63.699 0.137 . 1 . . . . 85 THR CA . 27090 1 399 . 1 1 85 85 THR CB C 13 68.688 0.161 . 1 . . . . 85 THR CB . 27090 1 400 . 1 1 85 85 THR N N 15 116.246 0.032 . 1 . . . . 85 THR N . 27090 1 401 . 1 1 86 86 THR H H 1 9.172 0.002 . 1 . . . . 86 THR HN . 27090 1 402 . 1 1 86 86 THR C C 13 174.921 0.000 . 1 . . . . 86 THR C . 27090 1 403 . 1 1 86 86 THR CA C 13 64.467 0.023 . 1 . . . . 86 THR CA . 27090 1 404 . 1 1 86 86 THR CB C 13 69.010 0.093 . 1 . . . . 86 THR CB . 27090 1 405 . 1 1 86 86 THR N N 15 116.837 0.035 . 1 . . . . 86 THR N . 27090 1 406 . 1 1 87 87 ASP H H 1 8.379 0.005 . 1 . . . . 87 ASP HN . 27090 1 407 . 1 1 87 87 ASP C C 13 176.697 0.000 . 1 . . . . 87 ASP C . 27090 1 408 . 1 1 87 87 ASP CA C 13 52.588 0.069 . 1 . . . . 87 ASP CA . 27090 1 409 . 1 1 87 87 ASP CB C 13 41.701 0.100 . 1 . . . . 87 ASP CB . 27090 1 410 . 1 1 87 87 ASP N N 15 119.286 0.090 . 1 . . . . 87 ASP N . 27090 1 411 . 1 1 88 88 TYR H H 1 7.303 0.008 . 1 . . . . 88 TYR HN . 27090 1 412 . 1 1 88 88 TYR C C 13 174.755 0.000 . 1 . . . . 88 TYR C . 27090 1 413 . 1 1 88 88 TYR CA C 13 58.898 0.096 . 1 . . . . 88 TYR CA . 27090 1 414 . 1 1 88 88 TYR CB C 13 34.833 0.109 . 1 . . . . 88 TYR CB . 27090 1 415 . 1 1 88 88 TYR N N 15 113.447 0.036 . 1 . . . . 88 TYR N . 27090 1 416 . 1 1 89 89 THR H H 1 7.938 0.004 . 1 . . . . 89 THR HN . 27090 1 417 . 1 1 89 89 THR C C 13 172.603 0.000 . 1 . . . . 89 THR C . 27090 1 418 . 1 1 89 89 THR CA C 13 64.479 0.040 . 1 . . . . 89 THR CA . 27090 1 419 . 1 1 89 89 THR CB C 13 68.997 0.089 . 1 . . . . 89 THR CB . 27090 1 420 . 1 1 89 89 THR N N 15 116.583 0.033 . 1 . . . . 89 THR N . 27090 1 421 . 1 1 90 90 MET H H 1 8.204 0.004 . 1 . . . . 90 MET HN . 27090 1 422 . 1 1 90 90 MET C C 13 175.642 0.000 . 1 . . . . 90 MET C . 27090 1 423 . 1 1 90 90 MET CA C 13 53.981 0.012 . 1 . . . . 90 MET CA . 27090 1 424 . 1 1 90 90 MET CB C 13 32.929 0.000 . 1 . . . . 90 MET CB . 27090 1 425 . 1 1 90 90 MET N N 15 122.267 0.052 . 1 . . . . 90 MET N . 27090 1 426 . 1 1 91 91 TYR H H 1 9.366 0.004 . 1 . . . . 91 TYR HN . 27090 1 427 . 1 1 91 91 TYR C C 13 174.068 0.000 . 1 . . . . 91 TYR C . 27090 1 428 . 1 1 91 91 TYR CA C 13 55.657 0.058 . 1 . . . . 91 TYR CA . 27090 1 429 . 1 1 91 91 TYR CB C 13 41.082 0.094 . 1 . . . . 91 TYR CB . 27090 1 430 . 1 1 91 91 TYR N N 15 123.511 0.075 . 1 . . . . 91 TYR N . 27090 1 431 . 1 1 92 92 GLU H H 1 8.699 0.006 . 1 . . . . 92 GLU HN . 27090 1 432 . 1 1 92 92 GLU C C 13 175.317 0.000 . 1 . . . . 92 GLU C . 27090 1 433 . 1 1 92 92 GLU CA C 13 55.637 0.113 . 1 . . . . 92 GLU CA . 27090 1 434 . 1 1 92 92 GLU CB C 13 31.668 0.023 . 1 . . . . 92 GLU CB . 27090 1 435 . 1 1 92 92 GLU N N 15 124.341 0.059 . 1 . . . . 92 GLU N . 27090 1 436 . 1 1 93 93 LEU H H 1 9.298 0.003 . 1 . . . . 93 LEU HN . 27090 1 437 . 1 1 93 93 LEU C C 13 174.795 0.000 . 1 . . . . 93 LEU C . 27090 1 438 . 1 1 93 93 LEU CA C 13 53.546 0.047 . 1 . . . . 93 LEU CA . 27090 1 439 . 1 1 93 93 LEU CB C 13 46.446 0.027 . 1 . . . . 93 LEU CB . 27090 1 440 . 1 1 93 93 LEU N N 15 125.693 0.055 . 1 . . . . 93 LEU N . 27090 1 441 . 1 1 94 94 ASN H H 1 8.957 0.550 . 1 . . . . 94 ASN HN . 27090 1 442 . 1 1 94 94 ASN C C 13 176.094 0.000 . 1 . . . . 94 ASN C . 27090 1 443 . 1 1 94 94 ASN CA C 13 55.808 0.057 . 1 . . . . 94 ASN CA . 27090 1 444 . 1 1 94 94 ASN CB C 13 37.146 0.100 . 1 . . . . 94 ASN CB . 27090 1 445 . 1 1 94 94 ASN N N 15 120.147 1.832 . 1 . . . . 94 ASN N . 27090 1 446 . 1 1 95 95 ALA H H 1 8.917 0.005 . 1 . . . . 95 ALA HN . 27090 1 447 . 1 1 95 95 ALA C C 13 178.639 0.000 . 1 . . . . 95 ALA C . 27090 1 448 . 1 1 95 95 ALA CA C 13 55.236 0.043 . 1 . . . . 95 ALA CA . 27090 1 449 . 1 1 95 95 ALA CB C 13 19.771 0.167 . 1 . . . . 95 ALA CB . 27090 1 450 . 1 1 95 95 ALA N N 15 125.729 0.029 . 1 . . . . 95 ALA N . 27090 1 451 . 1 1 96 96 GLU H H 1 8.669 0.004 . 1 . . . . 96 GLU HN . 27090 1 452 . 1 1 96 96 GLU C C 13 178.016 0.000 . 1 . . . . 96 GLU C . 27090 1 453 . 1 1 96 96 GLU CA C 13 58.113 0.111 . 1 . . . . 96 GLU CA . 27090 1 454 . 1 1 96 96 GLU CB C 13 28.816 0.082 . 1 . . . . 96 GLU CB . 27090 1 455 . 1 1 96 96 GLU N N 15 113.042 0.028 . 1 . . . . 96 GLU N . 27090 1 456 . 1 1 97 97 ASP H H 1 8.148 0.003 . 1 . . . . 97 ASP HN . 27090 1 457 . 1 1 97 97 ASP C C 13 176.620 0.000 . 1 . . . . 97 ASP C . 27090 1 458 . 1 1 97 97 ASP CA C 13 55.396 0.183 . 1 . . . . 97 ASP CA . 27090 1 459 . 1 1 97 97 ASP CB C 13 42.484 0.054 . 1 . . . . 97 ASP CB . 27090 1 460 . 1 1 97 97 ASP N N 15 118.966 0.064 . 1 . . . . 97 ASP N . 27090 1 461 . 1 1 98 98 ILE H H 1 7.497 0.002 . 1 . . . . 98 ILE HN . 27090 1 462 . 1 1 98 98 ILE C C 13 176.218 0.000 . 1 . . . . 98 ILE C . 27090 1 463 . 1 1 98 98 ILE CA C 13 59.861 0.092 . 1 . . . . 98 ILE CA . 27090 1 464 . 1 1 98 98 ILE CB C 13 38.863 0.050 . 1 . . . . 98 ILE CB . 27090 1 465 . 1 1 98 98 ILE N N 15 114.085 0.058 . 1 . . . . 98 ILE N . 27090 1 466 . 1 1 99 99 GLU H H 1 8.276 0.011 . 1 . . . . 99 GLU HN . 27090 1 467 . 1 1 99 99 GLU C C 13 178.167 0.000 . 1 . . . . 99 GLU C . 27090 1 468 . 1 1 99 99 GLU CA C 13 60.511 0.236 . 1 . . . . 99 GLU CA . 27090 1 469 . 1 1 99 99 GLU CB C 13 29.575 0.111 . 1 . . . . 99 GLU CB . 27090 1 470 . 1 1 99 99 GLU N N 15 121.945 0.030 . 1 . . . . 99 GLU N . 27090 1 471 . 1 1 100 100 ALA H H 1 8.978 0.007 . 1 . . . . 100 ALA HN . 27090 1 472 . 1 1 100 100 ALA C C 13 179.563 0.000 . 1 . . . . 100 ALA C . 27090 1 473 . 1 1 100 100 ALA CA C 13 54.609 0.058 . 1 . . . . 100 ALA CA . 27090 1 474 . 1 1 100 100 ALA CB C 13 18.782 0.184 . 1 . . . . 100 ALA CB . 27090 1 475 . 1 1 100 100 ALA N N 15 117.034 0.034 . 1 . . . . 100 ALA N . 27090 1 476 . 1 1 101 101 VAL H H 1 7.604 0.002 . 1 . . . . 101 VAL HN . 27090 1 477 . 1 1 101 101 VAL C C 13 176.180 0.000 . 1 . . . . 101 VAL C . 27090 1 478 . 1 1 101 101 VAL CA C 13 61.366 0.071 . 1 . . . . 101 VAL CA . 27090 1 479 . 1 1 101 101 VAL CB C 13 32.779 0.050 . 1 . . . . 101 VAL CB . 27090 1 480 . 1 1 101 101 VAL N N 15 110.412 0.043 . 1 . . . . 101 VAL N . 27090 1 481 . 1 1 102 102 LEU H H 1 7.296 0.004 . 1 . . . . 102 LEU HN . 27090 1 482 . 1 1 102 102 LEU CA C 13 58.889 0.136 . 1 . . . . 102 LEU CA . 27090 1 483 . 1 1 102 102 LEU CB C 13 40.438 0.000 . 1 . . . . 102 LEU CB . 27090 1 484 . 1 1 102 102 LEU N N 15 121.127 0.060 . 1 . . . . 102 LEU N . 27090 1 485 . 1 1 103 103 PRO C C 13 177.151 0.000 . 1 . . . . 103 PRO C . 27090 1 486 . 1 1 103 103 PRO CA C 13 64.875 0.186 . 1 . . . . 103 PRO CA . 27090 1 487 . 1 1 103 103 PRO CB C 13 30.631 0.063 . 1 . . . . 103 PRO CB . 27090 1 488 . 1 1 104 104 TYR H H 1 7.624 0.004 . 1 . . . . 104 TYR HN . 27090 1 489 . 1 1 104 104 TYR C C 13 175.607 0.000 . 1 . . . . 104 TYR C . 27090 1 490 . 1 1 104 104 TYR CA C 13 55.342 0.117 . 1 . . . . 104 TYR CA . 27090 1 491 . 1 1 104 104 TYR CB C 13 39.591 0.097 . 1 . . . . 104 TYR CB . 27090 1 492 . 1 1 104 104 TYR N N 15 112.551 0.034 . 1 . . . . 104 TYR N . 27090 1 493 . 1 1 105 105 ILE H H 1 7.409 0.004 . 1 . . . . 105 ILE HN . 27090 1 494 . 1 1 105 105 ILE C C 13 174.375 0.000 . 1 . . . . 105 ILE C . 27090 1 495 . 1 1 105 105 ILE CA C 13 61.488 0.113 . 1 . . . . 105 ILE CA . 27090 1 496 . 1 1 105 105 ILE CB C 13 37.420 0.088 . 1 . . . . 105 ILE CB . 27090 1 497 . 1 1 105 105 ILE N N 15 121.956 0.040 . 1 . . . . 105 ILE N . 27090 1 498 . 1 1 106 106 GLU H H 1 7.124 0.003 . 1 . . . . 106 GLU HN . 27090 1 499 . 1 1 106 106 GLU C C 13 174.653 0.000 . 1 . . . . 106 GLU C . 27090 1 500 . 1 1 106 106 GLU CA C 13 54.430 0.159 . 1 . . . . 106 GLU CA . 27090 1 501 . 1 1 106 106 GLU CB C 13 33.649 0.115 . 1 . . . . 106 GLU CB . 27090 1 502 . 1 1 106 106 GLU N N 15 124.226 0.048 . 1 . . . . 106 GLU N . 27090 1 503 . 1 1 107 107 GLU H H 1 8.969 0.004 . 1 . . . . 107 GLU HN . 27090 1 504 . 1 1 107 107 GLU C C 13 177.640 0.000 . 1 . . . . 107 GLU C . 27090 1 505 . 1 1 107 107 GLU CA C 13 58.218 0.143 . 1 . . . . 107 GLU CA . 27090 1 506 . 1 1 107 107 GLU CB C 13 29.447 0.054 . 1 . . . . 107 GLU CB . 27090 1 507 . 1 1 107 107 GLU N N 15 123.254 0.053 . 1 . . . . 107 GLU N . 27090 1 508 . 1 1 108 108 GLY H H 1 9.200 0.005 . 1 . . . . 108 GLY HN . 27090 1 509 . 1 1 108 108 GLY C C 13 174.817 0.000 . 1 . . . . 108 GLY C . 27090 1 510 . 1 1 108 108 GLY CA C 13 45.100 0.146 . 1 . . . . 108 GLY CA . 27090 1 511 . 1 1 108 108 GLY N N 15 113.891 0.039 . 1 . . . . 108 GLY N . 27090 1 512 . 1 1 109 109 MET H H 1 7.742 0.002 . 1 . . . . 109 MET HN . 27090 1 513 . 1 1 109 109 MET C C 13 177.155 0.000 . 1 . . . . 109 MET C . 27090 1 514 . 1 1 109 109 MET CA C 13 57.006 0.079 . 1 . . . . 109 MET CA . 27090 1 515 . 1 1 109 109 MET CB C 13 33.792 0.119 . 1 . . . . 109 MET CB . 27090 1 516 . 1 1 109 109 MET N N 15 118.224 0.031 . 1 . . . . 109 MET N . 27090 1 517 . 1 1 110 110 GLU H H 1 9.304 0.004 . 1 . . . . 110 GLU HN . 27090 1 518 . 1 1 110 110 GLU C C 13 176.335 0.000 . 1 . . . . 110 GLU C . 27090 1 519 . 1 1 110 110 GLU CA C 13 56.307 0.005 . 1 . . . . 110 GLU CA . 27090 1 520 . 1 1 110 110 GLU CB C 13 30.678 0.138 . 1 . . . . 110 GLU CB . 27090 1 521 . 1 1 110 110 GLU N N 15 123.974 0.040 . 1 . . . . 110 GLU N . 27090 1 522 . 1 1 111 111 ASP H H 1 7.350 0.002 . 1 . . . . 111 ASP HN . 27090 1 523 . 1 1 111 111 ASP C C 13 174.370 0.000 . 1 . . . . 111 ASP C . 27090 1 524 . 1 1 111 111 ASP CA C 13 55.774 0.050 . 1 . . . . 111 ASP CA . 27090 1 525 . 1 1 111 111 ASP CB C 13 42.689 0.048 . 1 . . . . 111 ASP CB . 27090 1 526 . 1 1 111 111 ASP N N 15 117.027 0.038 . 1 . . . . 111 ASP N . 27090 1 527 . 1 1 112 112 VAL H H 1 8.966 0.009 . 1 . . . . 112 VAL HN . 27090 1 528 . 1 1 112 112 VAL C C 13 176.198 0.000 . 1 . . . . 112 VAL C . 27090 1 529 . 1 1 112 112 VAL CA C 13 63.663 0.160 . 1 . . . . 112 VAL CA . 27090 1 530 . 1 1 112 112 VAL CB C 13 30.862 0.095 . 1 . . . . 112 VAL CB . 27090 1 531 . 1 1 112 112 VAL N N 15 125.285 0.050 . 1 . . . . 112 VAL N . 27090 1 532 . 1 1 113 113 CYS H H 1 8.669 0.006 . 1 . . . . 113 CYS HN . 27090 1 533 . 1 1 113 113 CYS C C 13 173.471 0.000 . 1 . . . . 113 CYS C . 27090 1 534 . 1 1 113 113 CYS CA C 13 58.294 0.149 . 1 . . . . 113 CYS CA . 27090 1 535 . 1 1 113 113 CYS CB C 13 29.554 0.010 . 1 . . . . 113 CYS CB . 27090 1 536 . 1 1 113 113 CYS N N 15 125.237 0.065 . 1 . . . . 113 CYS N . 27090 1 537 . 1 1 114 114 GLU H H 1 8.615 0.002 . 1 . . . . 114 GLU HN . 27090 1 538 . 1 1 114 114 GLU C C 13 175.306 0.000 . 1 . . . . 114 GLU C . 27090 1 539 . 1 1 114 114 GLU CA C 13 55.592 0.107 . 1 . . . . 114 GLU CA . 27090 1 540 . 1 1 114 114 GLU CB C 13 30.820 0.110 . 1 . . . . 114 GLU CB . 27090 1 541 . 1 1 114 114 GLU N N 15 119.483 0.053 . 1 . . . . 114 GLU N . 27090 1 542 . 1 1 115 115 ALA H H 1 8.989 0.004 . 1 . . . . 115 ALA HN . 27090 1 543 . 1 1 115 115 ALA C C 13 175.362 0.000 . 1 . . . . 115 ALA C . 27090 1 544 . 1 1 115 115 ALA CA C 13 50.807 0.118 . 1 . . . . 115 ALA CA . 27090 1 545 . 1 1 115 115 ALA CB C 13 19.759 0.128 . 1 . . . . 115 ALA CB . 27090 1 546 . 1 1 115 115 ALA N N 15 128.798 0.069 . 1 . . . . 115 ALA N . 27090 1 547 . 1 1 116 116 VAL H H 1 7.861 0.003 . 1 . . . . 116 VAL HN . 27090 1 548 . 1 1 116 116 VAL CA C 13 60.016 0.074 . 1 . . . . 116 VAL CA . 27090 1 549 . 1 1 116 116 VAL CB C 13 33.511 0.014 . 1 . . . . 116 VAL CB . 27090 1 550 . 1 1 116 116 VAL N N 15 118.027 0.057 . 1 . . . . 116 VAL N . 27090 1 551 . 1 1 117 117 PHE H H 1 8.951 0.003 . 1 . . . . 117 PHE HN . 27090 1 552 . 1 1 117 117 PHE C C 13 174.346 0.000 . 1 . . . . 117 PHE C . 27090 1 553 . 1 1 117 117 PHE CA C 13 56.542 0.006 . 1 . . . . 117 PHE CA . 27090 1 554 . 1 1 117 117 PHE CB C 13 44.582 0.189 . 1 . . . . 117 PHE CB . 27090 1 555 . 1 1 117 117 PHE N N 15 122.871 0.059 . 1 . . . . 117 PHE N . 27090 1 556 . 1 1 118 118 PHE H H 1 8.986 0.003 . 1 . . . . 118 PHE HN . 27090 1 557 . 1 1 118 118 PHE C C 13 174.293 0.000 . 1 . . . . 118 PHE C . 27090 1 558 . 1 1 118 118 PHE CA C 13 56.486 0.092 . 1 . . . . 118 PHE CA . 27090 1 559 . 1 1 118 118 PHE CB C 13 42.630 0.207 . 1 . . . . 118 PHE CB . 27090 1 560 . 1 1 118 118 PHE N N 15 120.464 0.051 . 1 . . . . 118 PHE N . 27090 1 561 . 1 1 119 119 GLU H H 1 9.259 0.009 . 1 . . . . 119 GLU HN . 27090 1 562 . 1 1 119 119 GLU C C 13 176.543 0.000 . 1 . . . . 119 GLU C . 27090 1 563 . 1 1 119 119 GLU CA C 13 56.814 0.086 . 1 . . . . 119 GLU CA . 27090 1 564 . 1 1 119 119 GLU CB C 13 27.203 0.078 . 1 . . . . 119 GLU CB . 27090 1 565 . 1 1 119 119 GLU N N 15 127.583 0.058 . 1 . . . . 119 GLU N . 27090 1 566 . 1 1 120 120 GLY H H 1 8.610 0.005 . 1 . . . . 120 GLY HN . 27090 1 567 . 1 1 120 120 GLY C C 13 173.821 0.000 . 1 . . . . 120 GLY C . 27090 1 568 . 1 1 120 120 GLY CA C 13 45.059 0.102 . 1 . . . . 120 GLY CA . 27090 1 569 . 1 1 120 120 GLY N N 15 103.383 0.041 . 1 . . . . 120 GLY N . 27090 1 570 . 1 1 121 121 ARG H H 1 8.186 0.002 . 1 . . . . 121 ARG HN . 27090 1 571 . 1 1 121 121 ARG C C 13 174.965 0.000 . 1 . . . . 121 ARG C . 27090 1 572 . 1 1 121 121 ARG CA C 13 54.488 0.082 . 1 . . . . 121 ARG CA . 27090 1 573 . 1 1 121 121 ARG CB C 13 31.637 0.041 . 1 . . . . 121 ARG CB . 27090 1 574 . 1 1 121 121 ARG N N 15 121.702 0.052 . 1 . . . . 121 ARG N . 27090 1 575 . 1 1 122 122 LEU H H 1 8.229 0.014 . 1 . . . . 122 LEU HN . 27090 1 576 . 1 1 122 122 LEU C C 13 176.244 0.000 . 1 . . . . 122 LEU C . 27090 1 577 . 1 1 122 122 LEU CA C 13 55.824 0.092 . 1 . . . . 122 LEU CA . 27090 1 578 . 1 1 122 122 LEU CB C 13 41.510 0.054 . 1 . . . . 122 LEU CB . 27090 1 579 . 1 1 122 122 LEU N N 15 127.409 0.062 . 1 . . . . 122 LEU N . 27090 1 580 . 1 1 123 123 VAL H H 1 8.888 0.005 . 1 . . . . 123 VAL HN . 27090 1 581 . 1 1 123 123 VAL C C 13 174.332 0.000 . 1 . . . . 123 VAL C . 27090 1 582 . 1 1 123 123 VAL CA C 13 62.492 0.104 . 1 . . . . 123 VAL CA . 27090 1 583 . 1 1 123 123 VAL CB C 13 33.900 0.057 . 1 . . . . 123 VAL CB . 27090 1 584 . 1 1 123 123 VAL N N 15 122.397 0.119 . 1 . . . . 123 VAL N . 27090 1 585 . 1 1 124 124 SER H H 1 7.008 0.005 . 1 . . . . 124 SER HN . 27090 1 586 . 1 1 124 124 SER C C 13 172.594 0.000 . 1 . . . . 124 SER C . 27090 1 587 . 1 1 124 124 SER CA C 13 57.328 0.133 . 1 . . . . 124 SER CA . 27090 1 588 . 1 1 124 124 SER CB C 13 63.372 0.177 . 1 . . . . 124 SER CB . 27090 1 589 . 1 1 124 124 SER N N 15 108.733 0.043 . 1 . . . . 124 SER N . 27090 1 590 . 1 1 125 125 VAL H H 1 8.163 0.013 . 1 . . . . 125 VAL HN . 27090 1 591 . 1 1 125 125 VAL C C 13 172.844 0.000 . 1 . . . . 125 VAL C . 27090 1 592 . 1 1 125 125 VAL CA C 13 59.513 0.166 . 1 . . . . 125 VAL CA . 27090 1 593 . 1 1 125 125 VAL CB C 13 35.918 0.129 . 1 . . . . 125 VAL CB . 27090 1 594 . 1 1 125 125 VAL N N 15 116.444 0.043 . 1 . . . . 125 VAL N . 27090 1 595 . 1 1 126 126 GLU H H 1 8.641 0.006 . 1 . . . . 126 GLU HN . 27090 1 596 . 1 1 126 126 GLU C C 13 176.181 0.000 . 1 . . . . 126 GLU C . 27090 1 597 . 1 1 126 126 GLU CA C 13 54.621 0.031 . 1 . . . . 126 GLU CA . 27090 1 598 . 1 1 126 126 GLU CB C 13 33.060 0.125 . 1 . . . . 126 GLU CB . 27090 1 599 . 1 1 126 126 GLU N N 15 120.826 0.059 . 1 . . . . 126 GLU N . 27090 1 600 . 1 1 127 127 LEU H H 1 8.485 0.003 . 1 . . . . 127 LEU HN . 27090 1 601 . 1 1 127 127 LEU CA C 13 53.531 0.158 . 1 . . . . 127 LEU CA . 27090 1 602 . 1 1 127 127 LEU CB C 13 42.598 0.000 . 1 . . . . 127 LEU CB . 27090 1 603 . 1 1 127 127 LEU N N 15 123.556 0.074 . 1 . . . . 127 LEU N . 27090 1 604 . 1 1 128 128 PRO C C 13 176.119 0.000 . 1 . . . . 128 PRO C . 27090 1 605 . 1 1 128 128 PRO CA C 13 62.655 0.134 . 1 . . . . 128 PRO CA . 27090 1 606 . 1 1 128 128 PRO CB C 13 31.725 0.057 . 1 . . . . 128 PRO CB . 27090 1 607 . 1 1 129 129 THR H H 1 8.383 0.005 . 1 . . . . 129 THR HN . 27090 1 608 . 1 1 129 129 THR C C 13 174.323 0.000 . 1 . . . . 129 THR C . 27090 1 609 . 1 1 129 129 THR CA C 13 66.007 0.238 . 1 . . . . 129 THR CA . 27090 1 610 . 1 1 129 129 THR CB C 13 68.898 0.008 . 1 . . . . 129 THR CB . 27090 1 611 . 1 1 129 129 THR N N 15 114.506 0.042 . 1 . . . . 129 THR N . 27090 1 612 . 1 1 130 130 THR H H 1 7.402 0.002 . 1 . . . . 130 THR HN . 27090 1 613 . 1 1 130 130 THR C C 13 173.709 0.000 . 1 . . . . 130 THR C . 27090 1 614 . 1 1 130 130 THR CA C 13 61.197 0.046 . 1 . . . . 130 THR CA . 27090 1 615 . 1 1 130 130 THR CB C 13 70.548 0.152 . 1 . . . . 130 THR CB . 27090 1 616 . 1 1 130 130 THR N N 15 113.432 0.049 . 1 . . . . 130 THR N . 27090 1 617 . 1 1 131 131 ILE H H 1 8.383 0.002 . 1 . . . . 131 ILE HN . 27090 1 618 . 1 1 131 131 ILE CA C 13 59.088 0.040 . 1 . . . . 131 ILE CA . 27090 1 619 . 1 1 131 131 ILE CB C 13 41.561 0.000 . 1 . . . . 131 ILE CB . 27090 1 620 . 1 1 131 131 ILE N N 15 118.214 0.033 . 1 . . . . 131 ILE N . 27090 1 621 . 1 1 134 134 LYS H H 1 8.027 0.003 . 1 . . . . 134 LYS HN . 27090 1 622 . 1 1 134 134 LYS C C 13 176.135 0.000 . 1 . . . . 134 LYS C . 27090 1 623 . 1 1 134 134 LYS CA C 13 55.553 0.113 . 1 . . . . 134 LYS CA . 27090 1 624 . 1 1 134 134 LYS CB C 13 33.199 0.000 . 1 . . . . 134 LYS CB . 27090 1 625 . 1 1 134 134 LYS N N 15 123.182 0.055 . 1 . . . . 134 LYS N . 27090 1 626 . 1 1 135 135 VAL H H 1 8.427 0.003 . 1 . . . . 135 VAL HN . 27090 1 627 . 1 1 135 135 VAL C C 13 176.218 0.000 . 1 . . . . 135 VAL C . 27090 1 628 . 1 1 135 135 VAL CA C 13 63.186 0.106 . 1 . . . . 135 VAL CA . 27090 1 629 . 1 1 135 135 VAL CB C 13 31.900 0.049 . 1 . . . . 135 VAL CB . 27090 1 630 . 1 1 135 135 VAL N N 15 125.566 0.064 . 1 . . . . 135 VAL N . 27090 1 631 . 1 1 136 136 VAL H H 1 8.450 0.004 . 1 . . . . 136 VAL HN . 27090 1 632 . 1 1 136 136 VAL C C 13 175.543 0.000 . 1 . . . . 136 VAL C . 27090 1 633 . 1 1 136 136 VAL CA C 13 61.320 0.012 . 1 . . . . 136 VAL CA . 27090 1 634 . 1 1 136 136 VAL CB C 13 32.017 0.258 . 1 . . . . 136 VAL CB . 27090 1 635 . 1 1 136 136 VAL N N 15 121.405 0.066 . 1 . . . . 136 VAL N . 27090 1 636 . 1 1 137 137 TYR H H 1 7.546 0.002 . 1 . . . . 137 TYR HN . 27090 1 637 . 1 1 137 137 TYR C C 13 173.183 0.000 . 1 . . . . 137 TYR C . 27090 1 638 . 1 1 137 137 TYR CA C 13 59.755 0.096 . 1 . . . . 137 TYR CA . 27090 1 639 . 1 1 137 137 TYR CB C 13 41.620 0.115 . 1 . . . . 137 TYR CB . 27090 1 640 . 1 1 137 137 TYR N N 15 119.692 0.055 . 1 . . . . 137 TYR N . 27090 1 641 . 1 1 138 138 THR H H 1 6.494 0.002 . 1 . . . . 138 THR HN . 27090 1 642 . 1 1 138 138 THR C C 13 170.628 0.000 . 1 . . . . 138 THR C . 27090 1 643 . 1 1 138 138 THR CA C 13 60.750 0.128 . 1 . . . . 138 THR CA . 27090 1 644 . 1 1 138 138 THR CB C 13 68.738 0.176 . 1 . . . . 138 THR CB . 27090 1 645 . 1 1 138 138 THR N N 15 119.338 0.029 . 1 . . . . 138 THR N . 27090 1 646 . 1 1 139 139 GLU H H 1 8.055 0.003 . 1 . . . . 139 GLU HN . 27090 1 647 . 1 1 139 139 GLU C C 13 175.251 0.000 . 1 . . . . 139 GLU C . 27090 1 648 . 1 1 139 139 GLU CA C 13 55.419 0.106 . 1 . . . . 139 GLU CA . 27090 1 649 . 1 1 139 139 GLU CB C 13 30.733 0.000 . 1 . . . . 139 GLU CB . 27090 1 650 . 1 1 139 139 GLU N N 15 122.876 0.048 . 1 . . . . 139 GLU N . 27090 1 651 . 1 1 140 140 ASN H H 1 8.564 0.000 . 1 . . . . 140 ASN HN . 27090 1 652 . 1 1 140 140 ASN C C 13 175.251 0.000 . 1 . . . . 140 ASN C . 27090 1 653 . 1 1 140 140 ASN N N 15 121.546 0.000 . 1 . . . . 140 ASN N . 27090 1 654 . 1 1 141 141 ALA H H 1 8.437 0.008 . 1 . . . . 141 ALA HN . 27090 1 655 . 1 1 141 141 ALA C C 13 176.846 0.000 . 1 . . . . 141 ALA C . 27090 1 656 . 1 1 141 141 ALA CA C 13 52.053 0.149 . 1 . . . . 141 ALA CA . 27090 1 657 . 1 1 141 141 ALA CB C 13 19.646 0.083 . 1 . . . . 141 ALA CB . 27090 1 658 . 1 1 141 141 ALA N N 15 124.555 0.046 . 1 . . . . 141 ALA N . 27090 1 659 . 1 1 142 142 ALA H H 1 8.492 0.006 . 1 . . . . 142 ALA HN . 27090 1 660 . 1 1 142 142 ALA C C 13 177.610 0.000 . 1 . . . . 142 ALA C . 27090 1 661 . 1 1 142 142 ALA CA C 13 52.248 0.147 . 1 . . . . 142 ALA CA . 27090 1 662 . 1 1 142 142 ALA CB C 13 19.145 0.017 . 1 . . . . 142 ALA CB . 27090 1 663 . 1 1 142 142 ALA N N 15 124.425 0.061 . 1 . . . . 142 ALA N . 27090 1 664 . 1 1 143 143 ARG H H 1 8.379 0.005 . 1 . . . . 143 ARG HN . 27090 1 665 . 1 1 143 143 ARG C C 13 176.688 0.000 . 1 . . . . 143 ARG C . 27090 1 666 . 1 1 143 143 ARG CA C 13 55.973 0.110 . 1 . . . . 143 ARG CA . 27090 1 667 . 1 1 143 143 ARG CB C 13 30.694 0.143 . 1 . . . . 143 ARG CB . 27090 1 668 . 1 1 143 143 ARG N N 15 120.090 0.043 . 1 . . . . 143 ARG N . 27090 1 669 . 1 1 144 144 GLY H H 1 8.466 0.005 . 1 . . . . 144 GLY HN . 27090 1 670 . 1 1 144 144 GLY C C 13 173.835 0.000 . 1 . . . . 144 GLY C . 27090 1 671 . 1 1 144 144 GLY CA C 13 45.114 0.214 . 1 . . . . 144 GLY CA . 27090 1 672 . 1 1 144 144 GLY N N 15 109.953 0.016 . 1 . . . . 144 GLY N . 27090 1 673 . 1 1 145 145 ASP H H 1 8.321 0.002 . 1 . . . . 145 ASP HN . 27090 1 674 . 1 1 145 145 ASP C C 13 176.867 0.000 . 1 . . . . 145 ASP C . 27090 1 675 . 1 1 145 145 ASP CA C 13 54.285 0.183 . 1 . . . . 145 ASP CA . 27090 1 676 . 1 1 145 145 ASP CB C 13 41.492 0.059 . 1 . . . . 145 ASP CB . 27090 1 677 . 1 1 145 145 ASP N N 15 120.832 0.028 . 1 . . . . 145 ASP N . 27090 1 678 . 1 1 146 146 THR H H 1 8.224 0.009 . 1 . . . . 146 THR HN . 27090 1 679 . 1 1 146 146 THR C C 13 174.971 0.000 . 1 . . . . 146 THR C . 27090 1 680 . 1 1 146 146 THR CA C 13 61.874 0.000 . 1 . . . . 146 THR CA . 27090 1 681 . 1 1 146 146 THR CB C 13 69.873 0.238 . 1 . . . . 146 THR CB . 27090 1 682 . 1 1 146 146 THR N N 15 113.914 0.034 . 1 . . . . 146 THR N . 27090 1 683 . 1 1 147 147 SER H H 1 8.570 0.004 . 1 . . . . 147 SER HN . 27090 1 684 . 1 1 147 147 SER C C 13 175.262 0.000 . 1 . . . . 147 SER C . 27090 1 685 . 1 1 147 147 SER CA C 13 59.100 0.073 . 1 . . . . 147 SER CA . 27090 1 686 . 1 1 147 147 SER CB C 13 64.656 0.000 . 1 . . . . 147 SER CB . 27090 1 687 . 1 1 147 147 SER N N 15 118.023 0.015 . 1 . . . . 147 SER N . 27090 1 688 . 1 1 148 148 GLY H H 1 8.709 0.003 . 1 . . . . 148 GLY HN . 27090 1 689 . 1 1 148 148 GLY C C 13 173.865 0.000 . 1 . . . . 148 GLY C . 27090 1 690 . 1 1 148 148 GLY CA C 13 45.549 0.132 . 1 . . . . 148 GLY CA . 27090 1 691 . 1 1 148 148 GLY N N 15 111.321 0.044 . 1 . . . . 148 GLY N . 27090 1 692 . 1 1 149 149 LYS H H 1 8.189 0.003 . 1 . . . . 149 LYS HN . 27090 1 693 . 1 1 149 149 LYS C C 13 176.214 0.000 . 1 . . . . 149 LYS C . 27090 1 694 . 1 1 149 149 LYS CA C 13 56.247 0.035 . 1 . . . . 149 LYS CA . 27090 1 695 . 1 1 149 149 LYS CB C 13 32.807 0.048 . 1 . . . . 149 LYS CB . 27090 1 696 . 1 1 149 149 LYS N N 15 120.462 0.034 . 1 . . . . 149 LYS N . 27090 1 697 . 1 1 150 150 VAL H H 1 8.094 0.003 . 1 . . . . 150 VAL HN . 27090 1 698 . 1 1 150 150 VAL CA C 13 62.392 0.062 . 1 . . . . 150 VAL CA . 27090 1 699 . 1 1 150 150 VAL CB C 13 32.762 0.022 . 1 . . . . 150 VAL CB . 27090 1 700 . 1 1 150 150 VAL N N 15 121.220 0.041 . 1 . . . . 150 VAL N . 27090 1 701 . 1 1 151 151 MET H H 1 8.033 0.004 . 1 . . . . 151 MET HN . 27090 1 702 . 1 1 151 151 MET C C 13 175.245 0.000 . 1 . . . . 151 MET C . 27090 1 703 . 1 1 151 151 MET CA C 13 52.833 0.068 . 1 . . . . 151 MET CA . 27090 1 704 . 1 1 151 151 MET CB C 13 33.577 0.131 . 1 . . . . 151 MET CB . 27090 1 705 . 1 1 151 151 MET N N 15 123.145 0.056 . 1 . . . . 151 MET N . 27090 1 706 . 1 1 152 152 LYS H H 1 9.433 0.004 . 1 . . . . 152 LYS HN . 27090 1 707 . 1 1 152 152 LYS CA C 13 53.209 0.188 . 1 . . . . 152 LYS CA . 27090 1 708 . 1 1 152 152 LYS CB C 13 34.093 0.000 . 1 . . . . 152 LYS CB . 27090 1 709 . 1 1 152 152 LYS N N 15 119.810 0.027 . 1 . . . . 152 LYS N . 27090 1 710 . 1 1 153 153 PRO C C 13 176.774 0.000 . 1 . . . . 153 PRO C . 27090 1 711 . 1 1 153 153 PRO CA C 13 63.206 0.127 . 1 . . . . 153 PRO CA . 27090 1 712 . 1 1 153 153 PRO CB C 13 32.695 0.102 . 1 . . . . 153 PRO CB . 27090 1 713 . 1 1 154 154 ALA H H 1 8.818 0.002 . 1 . . . . 154 ALA HN . 27090 1 714 . 1 1 154 154 ALA C C 13 175.290 0.000 . 1 . . . . 154 ALA C . 27090 1 715 . 1 1 154 154 ALA CA C 13 50.522 0.073 . 1 . . . . 154 ALA CA . 27090 1 716 . 1 1 154 154 ALA CB C 13 23.945 0.092 . 1 . . . . 154 ALA CB . 27090 1 717 . 1 1 154 154 ALA N N 15 124.967 0.046 . 1 . . . . 154 ALA N . 27090 1 718 . 1 1 155 155 LYS H H 1 8.856 0.003 . 1 . . . . 155 LYS HN . 27090 1 719 . 1 1 155 155 LYS C C 13 176.386 0.000 . 1 . . . . 155 LYS C . 27090 1 720 . 1 1 155 155 LYS CA C 13 54.598 0.058 . 1 . . . . 155 LYS CA . 27090 1 721 . 1 1 155 155 LYS CB C 13 36.560 0.017 . 1 . . . . 155 LYS CB . 27090 1 722 . 1 1 155 155 LYS N N 15 117.033 0.034 . 1 . . . . 155 LYS N . 27090 1 723 . 1 1 156 156 LEU H H 1 8.654 0.005 . 1 . . . . 156 LEU HN . 27090 1 724 . 1 1 156 156 LEU C C 13 179.080 0.000 . 1 . . . . 156 LEU C . 27090 1 725 . 1 1 156 156 LEU CA C 13 52.989 0.024 . 1 . . . . 156 LEU CA . 27090 1 726 . 1 1 156 156 LEU CB C 13 41.565 0.013 . 1 . . . . 156 LEU CB . 27090 1 727 . 1 1 156 156 LEU N N 15 120.845 0.039 . 1 . . . . 156 LEU N . 27090 1 728 . 1 1 157 157 ALA H H 1 9.449 0.003 . 1 . . . . 157 ALA HN . 27090 1 729 . 1 1 157 157 ALA C C 13 178.084 0.000 . 1 . . . . 157 ALA C . 27090 1 730 . 1 1 157 157 ALA CA C 13 55.489 0.117 . 1 . . . . 157 ALA CA . 27090 1 731 . 1 1 157 157 ALA CB C 13 18.500 0.094 . 1 . . . . 157 ALA CB . 27090 1 732 . 1 1 157 157 ALA N N 15 124.515 0.052 . 1 . . . . 157 ALA N . 27090 1 733 . 1 1 158 158 ASN H H 1 7.900 0.003 . 1 . . . . 158 ASN HN . 27090 1 734 . 1 1 158 158 ASN C C 13 176.610 0.000 . 1 . . . . 158 ASN C . 27090 1 735 . 1 1 158 158 ASN CA C 13 52.319 0.083 . 1 . . . . 158 ASN CA . 27090 1 736 . 1 1 158 158 ASN CB C 13 37.262 0.098 . 1 . . . . 158 ASN CB . 27090 1 737 . 1 1 158 158 ASN N N 15 112.659 0.033 . 1 . . . . 158 ASN N . 27090 1 738 . 1 1 159 159 GLY H H 1 8.127 0.003 . 1 . . . . 159 GLY HN . 27090 1 739 . 1 1 159 159 GLY C C 13 174.324 0.000 . 1 . . . . 159 GLY C . 27090 1 740 . 1 1 159 159 GLY CA C 13 44.809 0.019 . 1 . . . . 159 GLY CA . 27090 1 741 . 1 1 159 159 GLY N N 15 108.237 0.036 . 1 . . . . 159 GLY N . 27090 1 742 . 1 1 160 160 THR H H 1 7.715 0.002 . 1 . . . . 160 THR HN . 27090 1 743 . 1 1 160 160 THR C C 13 172.397 0.000 . 1 . . . . 160 THR C . 27090 1 744 . 1 1 160 160 THR CA C 13 64.241 0.126 . 1 . . . . 160 THR CA . 27090 1 745 . 1 1 160 160 THR CB C 13 69.739 0.135 . 1 . . . . 160 THR CB . 27090 1 746 . 1 1 160 160 THR N N 15 119.986 0.034 . 1 . . . . 160 THR N . 27090 1 747 . 1 1 161 161 GLU H H 1 8.603 0.004 . 1 . . . . 161 GLU HN . 27090 1 748 . 1 1 161 161 GLU C C 13 174.899 0.000 . 1 . . . . 161 GLU C . 27090 1 749 . 1 1 161 161 GLU CA C 13 54.918 0.124 . 1 . . . . 161 GLU CA . 27090 1 750 . 1 1 161 161 GLU CB C 13 31.789 0.093 . 1 . . . . 161 GLU CB . 27090 1 751 . 1 1 161 161 GLU N N 15 127.906 0.062 . 1 . . . . 161 GLU N . 27090 1 752 . 1 1 162 162 ILE H H 1 8.937 0.004 . 1 . . . . 162 ILE HN . 27090 1 753 . 1 1 162 162 ILE CA C 13 59.108 0.042 . 1 . . . . 162 ILE CA . 27090 1 754 . 1 1 162 162 ILE CB C 13 41.638 0.076 . 1 . . . . 162 ILE CB . 27090 1 755 . 1 1 162 162 ILE N N 15 124.569 0.066 . 1 . . . . 162 ILE N . 27090 1 756 . 1 1 163 163 SER H H 1 8.246 0.003 . 1 . . . . 163 SER HN . 27090 1 757 . 1 1 163 163 SER CA C 13 57.606 0.198 . 1 . . . . 163 SER CA . 27090 1 758 . 1 1 163 163 SER CB C 13 63.445 0.000 . 1 . . . . 163 SER CB . 27090 1 759 . 1 1 163 163 SER N N 15 120.909 0.048 . 1 . . . . 163 SER N . 27090 1 760 . 1 1 165 165 ALA H H 1 3.972 0.001 . 1 . . . . 165 ALA HN . 27090 1 761 . 1 1 165 165 ALA C C 13 177.907 0.000 . 1 . . . . 165 ALA C . 27090 1 762 . 1 1 165 165 ALA CA C 13 52.405 0.039 . 1 . . . . 165 ALA CA . 27090 1 763 . 1 1 165 165 ALA N N 15 118.932 0.025 . 1 . . . . 165 ALA N . 27090 1 764 . 1 1 166 166 ASP H H 1 7.956 0.001 . 1 . . . . 166 ASP HN . 27090 1 765 . 1 1 166 166 ASP C C 13 176.200 0.000 . 1 . . . . 166 ASP C . 27090 1 766 . 1 1 166 166 ASP CA C 13 56.828 0.015 . 1 . . . . 166 ASP CA . 27090 1 767 . 1 1 166 166 ASP CB C 13 40.532 0.044 . 1 . . . . 166 ASP CB . 27090 1 768 . 1 1 166 166 ASP N N 15 117.611 0.043 . 1 . . . . 166 ASP N . 27090 1 769 . 1 1 167 167 PHE H H 1 6.734 0.003 . 1 . . . . 167 PHE HN . 27090 1 770 . 1 1 167 167 PHE C C 13 176.208 0.000 . 1 . . . . 167 PHE C . 27090 1 771 . 1 1 167 167 PHE CA C 13 56.089 0.078 . 1 . . . . 167 PHE CA . 27090 1 772 . 1 1 167 167 PHE CB C 13 38.132 0.157 . 1 . . . . 167 PHE CB . 27090 1 773 . 1 1 167 167 PHE N N 15 111.768 0.039 . 1 . . . . 167 PHE N . 27090 1 774 . 1 1 168 168 ILE H H 1 7.196 0.003 . 1 . . . . 168 ILE HN . 27090 1 775 . 1 1 168 168 ILE C C 13 174.772 0.000 . 1 . . . . 168 ILE C . 27090 1 776 . 1 1 168 168 ILE CA C 13 58.452 0.113 . 1 . . . . 168 ILE CA . 27090 1 777 . 1 1 168 168 ILE CB C 13 34.651 0.105 . 1 . . . . 168 ILE CB . 27090 1 778 . 1 1 168 168 ILE N N 15 125.202 0.056 . 1 . . . . 168 ILE N . 27090 1 779 . 1 1 169 169 GLN H H 1 8.868 0.003 . 1 . . . . 169 GLN HN . 27090 1 780 . 1 1 169 169 GLN C C 13 174.759 0.000 . 1 . . . . 169 GLN C . 27090 1 781 . 1 1 169 169 GLN CA C 13 52.600 0.061 . 1 . . . . 169 GLN CA . 27090 1 782 . 1 1 169 169 GLN CB C 13 31.706 0.031 . 1 . . . . 169 GLN CB . 27090 1 783 . 1 1 169 169 GLN N N 15 126.242 0.033 . 1 . . . . 169 GLN N . 27090 1 784 . 1 1 170 170 ILE H H 1 7.950 0.006 . 1 . . . . 170 ILE HN . 27090 1 785 . 1 1 170 170 ILE C C 13 175.632 0.000 . 1 . . . . 170 ILE C . 27090 1 786 . 1 1 170 170 ILE CA C 13 64.652 0.103 . 1 . . . . 170 ILE CA . 27090 1 787 . 1 1 170 170 ILE CB C 13 38.313 0.061 . 1 . . . . 170 ILE CB . 27090 1 788 . 1 1 170 170 ILE N N 15 116.606 0.047 . 1 . . . . 170 ILE N . 27090 1 789 . 1 1 171 171 ASP H H 1 8.564 0.008 . 1 . . . . 171 ASP HN . 27090 1 790 . 1 1 171 171 ASP C C 13 174.874 0.000 . 1 . . . . 171 ASP C . 27090 1 791 . 1 1 171 171 ASP CA C 13 56.935 0.058 . 1 . . . . 171 ASP CA . 27090 1 792 . 1 1 171 171 ASP CB C 13 38.325 0.100 . 1 . . . . 171 ASP CB . 27090 1 793 . 1 1 171 171 ASP N N 15 119.136 0.052 . 1 . . . . 171 ASP N . 27090 1 794 . 1 1 172 172 GLU H H 1 7.456 0.002 . 1 . . . . 172 GLU HN . 27090 1 795 . 1 1 172 172 GLU C C 13 175.250 0.000 . 1 . . . . 172 GLU C . 27090 1 796 . 1 1 172 172 GLU CA C 13 57.026 0.120 . 1 . . . . 172 GLU CA . 27090 1 797 . 1 1 172 172 GLU CB C 13 31.482 0.170 . 1 . . . . 172 GLU CB . 27090 1 798 . 1 1 172 172 GLU N N 15 117.364 0.038 . 1 . . . . 172 GLU N . 27090 1 799 . 1 1 173 173 TRP H H 1 8.564 0.005 . 1 . . . . 173 TRP HN . 27090 1 800 . 1 1 173 173 TRP C C 13 176.725 0.000 . 1 . . . . 173 TRP C . 27090 1 801 . 1 1 173 173 TRP CA C 13 56.867 0.028 . 1 . . . . 173 TRP CA . 27090 1 802 . 1 1 173 173 TRP CB C 13 28.505 0.111 . 1 . . . . 173 TRP CB . 27090 1 803 . 1 1 173 173 TRP N N 15 121.599 0.054 . 1 . . . . 173 TRP N . 27090 1 804 . 1 1 174 174 ILE H H 1 9.398 0.003 . 1 . . . . 174 ILE HN . 27090 1 805 . 1 1 174 174 ILE CA C 13 59.216 0.107 . 1 . . . . 174 ILE CA . 27090 1 806 . 1 1 174 174 ILE CB C 13 41.501 0.000 . 1 . . . . 174 ILE CB . 27090 1 807 . 1 1 174 174 ILE N N 15 117.253 0.036 . 1 . . . . 174 ILE N . 27090 1 808 . 1 1 175 175 ASP C C 13 175.779 0.000 . 1 . . . . 175 ASP C . 27090 1 809 . 1 1 176 176 ILE H H 1 9.207 0.004 . 1 . . . . 176 ILE HN . 27090 1 810 . 1 1 176 176 ILE C C 13 173.584 0.000 . 1 . . . . 176 ILE C . 27090 1 811 . 1 1 176 176 ILE CA C 13 59.410 0.203 . 1 . . . . 176 ILE CA . 27090 1 812 . 1 1 176 176 ILE CB C 13 41.667 0.157 . 1 . . . . 176 ILE CB . 27090 1 813 . 1 1 176 176 ILE N N 15 124.027 0.036 . 1 . . . . 176 ILE N . 27090 1 814 . 1 1 177 177 ASP H H 1 8.677 0.003 . 1 . . . . 177 ASP HN . 27090 1 815 . 1 1 177 177 ASP C C 13 177.665 0.000 . 1 . . . . 177 ASP C . 27090 1 816 . 1 1 177 177 ASP CA C 13 52.162 0.174 . 1 . . . . 177 ASP CA . 27090 1 817 . 1 1 177 177 ASP CB C 13 42.137 0.196 . 1 . . . . 177 ASP CB . 27090 1 818 . 1 1 177 177 ASP N N 15 120.979 0.051 . 1 . . . . 177 ASP N . 27090 1 819 . 1 1 178 178 THR H H 1 8.888 0.003 . 1 . . . . 178 THR HN . 27090 1 820 . 1 1 178 178 THR C C 13 175.793 0.000 . 1 . . . . 178 THR C . 27090 1 821 . 1 1 178 178 THR CA C 13 62.926 0.109 . 1 . . . . 178 THR CA . 27090 1 822 . 1 1 178 178 THR CB C 13 68.791 0.169 . 1 . . . . 178 THR CB . 27090 1 823 . 1 1 178 178 THR N N 15 117.422 0.054 . 1 . . . . 178 THR N . 27090 1 824 . 1 1 179 179 ARG H H 1 9.121 0.003 . 1 . . . . 179 ARG HN . 27090 1 825 . 1 1 179 179 ARG C C 13 178.101 0.000 . 1 . . . . 179 ARG C . 27090 1 826 . 1 1 179 179 ARG CA C 13 57.839 0.055 . 1 . . . . 179 ARG CA . 27090 1 827 . 1 1 179 179 ARG CB C 13 29.422 0.092 . 1 . . . . 179 ARG CB . 27090 1 828 . 1 1 179 179 ARG N N 15 122.187 0.044 . 1 . . . . 179 ARG N . 27090 1 829 . 1 1 180 180 ASP H H 1 7.520 0.003 . 1 . . . . 180 ASP HN . 27090 1 830 . 1 1 180 180 ASP C C 13 176.215 0.000 . 1 . . . . 180 ASP C . 27090 1 831 . 1 1 180 180 ASP CA C 13 52.644 0.107 . 1 . . . . 180 ASP CA . 27090 1 832 . 1 1 180 180 ASP CB C 13 40.605 0.139 . 1 . . . . 180 ASP CB . 27090 1 833 . 1 1 180 180 ASP N N 15 115.271 0.025 . 1 . . . . 180 ASP N . 27090 1 834 . 1 1 181 181 ASN H H 1 8.162 0.002 . 1 . . . . 181 ASN HN . 27090 1 835 . 1 1 181 181 ASN C C 13 173.417 0.000 . 1 . . . . 181 ASN C . 27090 1 836 . 1 1 181 181 ASN CA C 13 54.689 0.027 . 1 . . . . 181 ASN CA . 27090 1 837 . 1 1 181 181 ASN CB C 13 38.163 0.203 . 1 . . . . 181 ASN CB . 27090 1 838 . 1 1 181 181 ASN N N 15 117.069 0.046 . 1 . . . . 181 ASN N . 27090 1 839 . 1 1 182 182 SER H H 1 8.022 0.004 . 1 . . . . 182 SER HN . 27090 1 840 . 1 1 182 182 SER C C 13 173.454 0.000 . 1 . . . . 182 SER C . 27090 1 841 . 1 1 182 182 SER CA C 13 57.022 0.068 . 1 . . . . 182 SER CA . 27090 1 842 . 1 1 182 182 SER CB C 13 65.739 0.089 . 1 . . . . 182 SER CB . 27090 1 843 . 1 1 182 182 SER N N 15 110.525 0.045 . 1 . . . . 182 SER N . 27090 1 844 . 1 1 183 183 PHE H H 1 8.947 0.004 . 1 . . . . 183 PHE HN . 27090 1 845 . 1 1 183 183 PHE C C 13 175.277 0.000 . 1 . . . . 183 PHE C . 27090 1 846 . 1 1 183 183 PHE CA C 13 57.833 0.036 . 1 . . . . 183 PHE CA . 27090 1 847 . 1 1 183 183 PHE CB C 13 40.651 0.089 . 1 . . . . 183 PHE CB . 27090 1 848 . 1 1 183 183 PHE N N 15 122.253 0.043 . 1 . . . . 183 PHE N . 27090 1 849 . 1 1 184 184 LYS H H 1 8.740 0.002 . 1 . . . . 184 LYS HN . 27090 1 850 . 1 1 184 184 LYS CA C 13 54.833 0.052 . 1 . . . . 184 LYS CA . 27090 1 851 . 1 1 184 184 LYS CB C 13 32.868 0.000 . 1 . . . . 184 LYS CB . 27090 1 852 . 1 1 184 184 LYS N N 15 126.841 0.053 . 1 . . . . 184 LYS N . 27090 1 853 . 1 1 185 185 GLY C C 13 172.420 0.000 . 1 . . . . 185 GLY C . 27090 1 854 . 1 1 186 186 ARG H H 1 8.958 0.006 . 1 . . . . 186 ARG HN . 27090 1 855 . 1 1 186 186 ARG C C 13 177.129 0.000 . 1 . . . . 186 ARG C . 27090 1 856 . 1 1 186 186 ARG CA C 13 57.688 0.127 . 1 . . . . 186 ARG CA . 27090 1 857 . 1 1 186 186 ARG CB C 13 31.528 0.102 . 1 . . . . 186 ARG CB . 27090 1 858 . 1 1 186 186 ARG N N 15 119.852 0.043 . 1 . . . . 186 ARG N . 27090 1 859 . 1 1 187 187 SER H H 1 8.847 0.002 . 1 . . . . 187 SER HN . 27090 1 860 . 1 1 187 187 SER C C 13 173.960 0.000 . 1 . . . . 187 SER C . 27090 1 861 . 1 1 187 187 SER CA C 13 59.457 0.196 . 1 . . . . 187 SER CA . 27090 1 862 . 1 1 187 187 SER CB C 13 63.458 0.028 . 1 . . . . 187 SER CB . 27090 1 863 . 1 1 187 187 SER N N 15 122.535 0.034 . 1 . . . . 187 SER N . 27090 1 864 . 1 1 188 188 LYS H H 1 8.960 0.006 . 1 . . . . 188 LYS HN . 27090 1 865 . 1 1 188 188 LYS C C 13 175.212 0.000 . 1 . . . . 188 LYS C . 27090 1 866 . 1 1 188 188 LYS CA C 13 56.342 0.053 . 1 . . . . 188 LYS CA . 27090 1 867 . 1 1 188 188 LYS CB C 13 31.887 0.143 . 1 . . . . 188 LYS CB . 27090 1 868 . 1 1 188 188 LYS N N 15 126.595 0.070 . 1 . . . . 188 LYS N . 27090 1 869 . 1 1 189 189 LYS H H 1 7.824 0.007 . 1 . . . . 189 LYS HN . 27090 1 870 . 1 1 189 189 LYS CA C 13 57.113 0.106 . 1 . . . . 189 LYS CA . 27090 1 871 . 1 1 189 189 LYS CB C 13 33.844 0.000 . 1 . . . . 189 LYS CB . 27090 1 872 . 1 1 189 189 LYS N N 15 129.346 0.072 . 1 . . . . 189 LYS N . 27090 1 stop_ save_