data_19803 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19803 _Entry.Title ; NMR resonance assignment of the N-terminal polypeptide of the Anthrax Lethal Factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-18 _Entry.Accession_date 2014-02-18 _Entry.Last_release_date 2014-02-18 _Entry.Original_release_date 2014-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; N-terminal Domain of Lethal Factor(Uniprot code:P15917):61-293(233 a.a.) recombinant polypeptide expressed in E.coli studied through NMR spectroscopy. ; _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 Dionysios Vourtsis . J. . . 19803 2 Christos Chasapis . T. . . 19803 3 Detlef Bentrop . . . . 19803 4 Georgios Spyroulias . A. . . 19803 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19803 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 575 19803 '15N chemical shifts' 217 19803 '1H chemical shifts' 462 19803 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 . . 2019-07-12 . original BMRB . 19803 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16735 'NMR resonance assignment of the apo C-terminal polypeptide of the Anthrax Lethal Factor catalytic domain' 19803 EMBL CAC93932 'Lef protein [Bacillus anthracis]' 19803 EMBL CAC93933 'Lef protein [Bacillus anthracis]' 19803 PDB 1J7N 'Anthrax Toxin Lethal Factor' 19803 PDB 2L0R 'Conformational Dynamics of the Anthrax Lethal Factor Catalytic Center' 19803 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19803 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24944022 _Citation.Full_citation . _Citation.Title ; NMR conformational properties of an Anthrax Lethal Factor domain studied by multiple amino acid-selective labeling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 450 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _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 335 _Citation.Page_last 340 _Citation.Year 2014 _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 Dionysios Vourtsis D. J. . . 19803 1 2 Christos Chasapis C. T. . . 19803 1 3 George Pairas G. . . . 19803 1 4 Detlef Bentrop D. . . . 19803 1 5 Georgios Spyroulias G. A. . . 19803 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacillus Anrhacis' 19803 1 'Lethal Factor N terminal domain' 19803 1 'NMR Spectroscopy' 19803 1 'Overexpression in E. coli' 19803 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19803 _Assembly.ID 1 _Assembly.Name 'Anthrax Lethal Factor N-terminal' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Anthrax Lethal Factor N-terminal' 1 $Anthrax_Lethal_Factor_N-terminal A . yes native no no . . . 19803 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1J7N . . X-ray . . 'Crystal structure of the anthrax lethal factor' 19803 1 yes PDB 2L0R . . 'solution NMR' . . 'Conformational Dynamics of the Anthrax Lethal Factor Catalytic Center' 19803 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Interaction with Protective Antigen and endocytosis' 19803 1 'Zinc metallopeptidase' 19803 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Anthrax_Lethal_Factor_N-terminal _Entity.Sf_category entity _Entity.Sf_framecode Anthrax_Lethal_Factor_N-terminal _Entity.Entry_ID 19803 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Anthrax_Lethal_Factor_N-terminal _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 ; GSRNKTQEEHLKEIMKHIVK IEVKGEEAVKKEAAEKLLEK VPSDVLEMYKAIGGKIYIVD GDITKHISLEALSEDKKKIK DIYGKDALLHEHYVYAKEGY EPVLVIQSSEDYVENTEKAL NVYYEIGKILSRDILSKINQ PYQKFLDVLNTIKNASDSDG QDLLFTNQLKEHPTDFSVEF LEQNSNEVQEVFAKAFAYYI EPQHRDVLQLYAPEAFNYMD KFNEQEINLSLEELK ; _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 235 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of Anthrax Lethal Factor' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27196.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first 2 residues in the deposited sequence are due to subcloning and are not actually part of the assigned sequence. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL P15917 . LEF_BACAN . . . . . . . . . . . . . . 19803 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Anthrax lethal toxin endopeptidase component' 19803 1 'Interaction with Protective Antigen(PA)' 19803 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 -2 GLY . 19803 1 2 -1 SER . 19803 1 3 28 ARG . 19803 1 4 29 ASN . 19803 1 5 30 LYS . 19803 1 6 31 THR . 19803 1 7 32 GLN . 19803 1 8 33 GLU . 19803 1 9 34 GLU . 19803 1 10 35 HIS . 19803 1 11 36 LEU . 19803 1 12 37 LYS . 19803 1 13 38 GLU . 19803 1 14 39 ILE . 19803 1 15 40 MET . 19803 1 16 41 LYS . 19803 1 17 42 HIS . 19803 1 18 43 ILE . 19803 1 19 44 VAL . 19803 1 20 45 LYS . 19803 1 21 46 ILE . 19803 1 22 47 GLU . 19803 1 23 48 VAL . 19803 1 24 49 LYS . 19803 1 25 50 GLY . 19803 1 26 51 GLU . 19803 1 27 52 GLU . 19803 1 28 53 ALA . 19803 1 29 54 VAL . 19803 1 30 55 LYS . 19803 1 31 56 LYS . 19803 1 32 57 GLU . 19803 1 33 58 ALA . 19803 1 34 59 ALA . 19803 1 35 60 GLU . 19803 1 36 61 LYS . 19803 1 37 62 LEU . 19803 1 38 63 LEU . 19803 1 39 64 GLU . 19803 1 40 65 LYS . 19803 1 41 66 VAL . 19803 1 42 67 PRO . 19803 1 43 68 SER . 19803 1 44 69 ASP . 19803 1 45 70 VAL . 19803 1 46 71 LEU . 19803 1 47 72 GLU . 19803 1 48 73 MET . 19803 1 49 74 TYR . 19803 1 50 75 LYS . 19803 1 51 76 ALA . 19803 1 52 77 ILE . 19803 1 53 78 GLY . 19803 1 54 79 GLY . 19803 1 55 80 LYS . 19803 1 56 81 ILE . 19803 1 57 82 TYR . 19803 1 58 83 ILE . 19803 1 59 84 VAL . 19803 1 60 85 ASP . 19803 1 61 86 GLY . 19803 1 62 87 ASP . 19803 1 63 88 ILE . 19803 1 64 89 THR . 19803 1 65 90 LYS . 19803 1 66 91 HIS . 19803 1 67 92 ILE . 19803 1 68 93 SER . 19803 1 69 94 LEU . 19803 1 70 95 GLU . 19803 1 71 96 ALA . 19803 1 72 97 LEU . 19803 1 73 98 SER . 19803 1 74 99 GLU . 19803 1 75 100 ASP . 19803 1 76 101 LYS . 19803 1 77 102 LYS . 19803 1 78 103 LYS . 19803 1 79 104 ILE . 19803 1 80 105 LYS . 19803 1 81 106 ASP . 19803 1 82 107 ILE . 19803 1 83 108 TYR . 19803 1 84 109 GLY . 19803 1 85 110 LYS . 19803 1 86 111 ASP . 19803 1 87 112 ALA . 19803 1 88 113 LEU . 19803 1 89 114 LEU . 19803 1 90 115 HIS . 19803 1 91 116 GLU . 19803 1 92 117 HIS . 19803 1 93 118 TYR . 19803 1 94 119 VAL . 19803 1 95 120 TYR . 19803 1 96 121 ALA . 19803 1 97 122 LYS . 19803 1 98 123 GLU . 19803 1 99 124 GLY . 19803 1 100 125 TYR . 19803 1 101 126 GLU . 19803 1 102 127 PRO . 19803 1 103 128 VAL . 19803 1 104 129 LEU . 19803 1 105 130 VAL . 19803 1 106 131 ILE . 19803 1 107 132 GLN . 19803 1 108 133 SER . 19803 1 109 134 SER . 19803 1 110 135 GLU . 19803 1 111 136 ASP . 19803 1 112 137 TYR . 19803 1 113 138 VAL . 19803 1 114 139 GLU . 19803 1 115 140 ASN . 19803 1 116 141 THR . 19803 1 117 142 GLU . 19803 1 118 143 LYS . 19803 1 119 144 ALA . 19803 1 120 145 LEU . 19803 1 121 146 ASN . 19803 1 122 147 VAL . 19803 1 123 148 TYR . 19803 1 124 149 TYR . 19803 1 125 150 GLU . 19803 1 126 151 ILE . 19803 1 127 152 GLY . 19803 1 128 153 LYS . 19803 1 129 154 ILE . 19803 1 130 155 LEU . 19803 1 131 156 SER . 19803 1 132 157 ARG . 19803 1 133 158 ASP . 19803 1 134 159 ILE . 19803 1 135 160 LEU . 19803 1 136 161 SER . 19803 1 137 162 LYS . 19803 1 138 163 ILE . 19803 1 139 164 ASN . 19803 1 140 165 GLN . 19803 1 141 166 PRO . 19803 1 142 167 TYR . 19803 1 143 168 GLN . 19803 1 144 169 LYS . 19803 1 145 170 PHE . 19803 1 146 171 LEU . 19803 1 147 172 ASP . 19803 1 148 173 VAL . 19803 1 149 174 LEU . 19803 1 150 175 ASN . 19803 1 151 176 THR . 19803 1 152 177 ILE . 19803 1 153 178 LYS . 19803 1 154 179 ASN . 19803 1 155 180 ALA . 19803 1 156 181 SER . 19803 1 157 182 ASP . 19803 1 158 183 SER . 19803 1 159 184 ASP . 19803 1 160 185 GLY . 19803 1 161 186 GLN . 19803 1 162 187 ASP . 19803 1 163 188 LEU . 19803 1 164 189 LEU . 19803 1 165 190 PHE . 19803 1 166 191 THR . 19803 1 167 192 ASN . 19803 1 168 193 GLN . 19803 1 169 194 LEU . 19803 1 170 195 LYS . 19803 1 171 196 GLU . 19803 1 172 197 HIS . 19803 1 173 198 PRO . 19803 1 174 199 THR . 19803 1 175 200 ASP . 19803 1 176 201 PHE . 19803 1 177 202 SER . 19803 1 178 203 VAL . 19803 1 179 204 GLU . 19803 1 180 205 PHE . 19803 1 181 206 LEU . 19803 1 182 207 GLU . 19803 1 183 208 GLN . 19803 1 184 209 ASN . 19803 1 185 210 SER . 19803 1 186 211 ASN . 19803 1 187 212 GLU . 19803 1 188 213 VAL . 19803 1 189 214 GLN . 19803 1 190 215 GLU . 19803 1 191 216 VAL . 19803 1 192 217 PHE . 19803 1 193 218 ALA . 19803 1 194 219 LYS . 19803 1 195 220 ALA . 19803 1 196 221 PHE . 19803 1 197 222 ALA . 19803 1 198 223 TYR . 19803 1 199 224 TYR . 19803 1 200 225 ILE . 19803 1 201 226 GLU . 19803 1 202 227 PRO . 19803 1 203 228 GLN . 19803 1 204 229 HIS . 19803 1 205 230 ARG . 19803 1 206 231 ASP . 19803 1 207 232 VAL . 19803 1 208 233 LEU . 19803 1 209 234 GLN . 19803 1 210 235 LEU . 19803 1 211 236 TYR . 19803 1 212 237 ALA . 19803 1 213 238 PRO . 19803 1 214 239 GLU . 19803 1 215 240 ALA . 19803 1 216 241 PHE . 19803 1 217 242 ASN . 19803 1 218 243 TYR . 19803 1 219 244 MET . 19803 1 220 245 ASP . 19803 1 221 246 LYS . 19803 1 222 247 PHE . 19803 1 223 248 ASN . 19803 1 224 249 GLU . 19803 1 225 250 GLN . 19803 1 226 251 GLU . 19803 1 227 252 ILE . 19803 1 228 253 ASN . 19803 1 229 254 LEU . 19803 1 230 255 SER . 19803 1 231 256 LEU . 19803 1 232 257 GLU . 19803 1 233 258 GLU . 19803 1 234 259 LEU . 19803 1 235 260 LYS . 19803 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19803 1 . SER 2 2 19803 1 . ARG 3 3 19803 1 . ASN 4 4 19803 1 . LYS 5 5 19803 1 . THR 6 6 19803 1 . GLN 7 7 19803 1 . GLU 8 8 19803 1 . GLU 9 9 19803 1 . HIS 10 10 19803 1 . LEU 11 11 19803 1 . LYS 12 12 19803 1 . GLU 13 13 19803 1 . ILE 14 14 19803 1 . MET 15 15 19803 1 . LYS 16 16 19803 1 . HIS 17 17 19803 1 . ILE 18 18 19803 1 . VAL 19 19 19803 1 . LYS 20 20 19803 1 . ILE 21 21 19803 1 . GLU 22 22 19803 1 . VAL 23 23 19803 1 . LYS 24 24 19803 1 . GLY 25 25 19803 1 . GLU 26 26 19803 1 . GLU 27 27 19803 1 . ALA 28 28 19803 1 . VAL 29 29 19803 1 . LYS 30 30 19803 1 . LYS 31 31 19803 1 . GLU 32 32 19803 1 . ALA 33 33 19803 1 . ALA 34 34 19803 1 . GLU 35 35 19803 1 . LYS 36 36 19803 1 . LEU 37 37 19803 1 . LEU 38 38 19803 1 . GLU 39 39 19803 1 . LYS 40 40 19803 1 . VAL 41 41 19803 1 . PRO 42 42 19803 1 . SER 43 43 19803 1 . ASP 44 44 19803 1 . VAL 45 45 19803 1 . LEU 46 46 19803 1 . GLU 47 47 19803 1 . MET 48 48 19803 1 . TYR 49 49 19803 1 . LYS 50 50 19803 1 . ALA 51 51 19803 1 . ILE 52 52 19803 1 . GLY 53 53 19803 1 . GLY 54 54 19803 1 . LYS 55 55 19803 1 . ILE 56 56 19803 1 . TYR 57 57 19803 1 . ILE 58 58 19803 1 . VAL 59 59 19803 1 . ASP 60 60 19803 1 . GLY 61 61 19803 1 . ASP 62 62 19803 1 . ILE 63 63 19803 1 . THR 64 64 19803 1 . LYS 65 65 19803 1 . HIS 66 66 19803 1 . ILE 67 67 19803 1 . SER 68 68 19803 1 . LEU 69 69 19803 1 . GLU 70 70 19803 1 . ALA 71 71 19803 1 . LEU 72 72 19803 1 . SER 73 73 19803 1 . GLU 74 74 19803 1 . ASP 75 75 19803 1 . LYS 76 76 19803 1 . LYS 77 77 19803 1 . LYS 78 78 19803 1 . ILE 79 79 19803 1 . LYS 80 80 19803 1 . ASP 81 81 19803 1 . ILE 82 82 19803 1 . TYR 83 83 19803 1 . GLY 84 84 19803 1 . LYS 85 85 19803 1 . ASP 86 86 19803 1 . ALA 87 87 19803 1 . LEU 88 88 19803 1 . LEU 89 89 19803 1 . HIS 90 90 19803 1 . GLU 91 91 19803 1 . HIS 92 92 19803 1 . TYR 93 93 19803 1 . VAL 94 94 19803 1 . TYR 95 95 19803 1 . ALA 96 96 19803 1 . LYS 97 97 19803 1 . GLU 98 98 19803 1 . GLY 99 99 19803 1 . TYR 100 100 19803 1 . GLU 101 101 19803 1 . PRO 102 102 19803 1 . VAL 103 103 19803 1 . LEU 104 104 19803 1 . VAL 105 105 19803 1 . ILE 106 106 19803 1 . GLN 107 107 19803 1 . SER 108 108 19803 1 . SER 109 109 19803 1 . GLU 110 110 19803 1 . ASP 111 111 19803 1 . TYR 112 112 19803 1 . VAL 113 113 19803 1 . GLU 114 114 19803 1 . ASN 115 115 19803 1 . THR 116 116 19803 1 . GLU 117 117 19803 1 . LYS 118 118 19803 1 . ALA 119 119 19803 1 . LEU 120 120 19803 1 . ASN 121 121 19803 1 . VAL 122 122 19803 1 . TYR 123 123 19803 1 . TYR 124 124 19803 1 . GLU 125 125 19803 1 . ILE 126 126 19803 1 . GLY 127 127 19803 1 . LYS 128 128 19803 1 . ILE 129 129 19803 1 . LEU 130 130 19803 1 . SER 131 131 19803 1 . ARG 132 132 19803 1 . ASP 133 133 19803 1 . ILE 134 134 19803 1 . LEU 135 135 19803 1 . SER 136 136 19803 1 . LYS 137 137 19803 1 . ILE 138 138 19803 1 . ASN 139 139 19803 1 . GLN 140 140 19803 1 . PRO 141 141 19803 1 . TYR 142 142 19803 1 . GLN 143 143 19803 1 . LYS 144 144 19803 1 . PHE 145 145 19803 1 . LEU 146 146 19803 1 . ASP 147 147 19803 1 . VAL 148 148 19803 1 . LEU 149 149 19803 1 . ASN 150 150 19803 1 . THR 151 151 19803 1 . ILE 152 152 19803 1 . LYS 153 153 19803 1 . ASN 154 154 19803 1 . ALA 155 155 19803 1 . SER 156 156 19803 1 . ASP 157 157 19803 1 . SER 158 158 19803 1 . ASP 159 159 19803 1 . GLY 160 160 19803 1 . GLN 161 161 19803 1 . ASP 162 162 19803 1 . LEU 163 163 19803 1 . LEU 164 164 19803 1 . PHE 165 165 19803 1 . THR 166 166 19803 1 . ASN 167 167 19803 1 . GLN 168 168 19803 1 . LEU 169 169 19803 1 . LYS 170 170 19803 1 . GLU 171 171 19803 1 . HIS 172 172 19803 1 . PRO 173 173 19803 1 . THR 174 174 19803 1 . ASP 175 175 19803 1 . PHE 176 176 19803 1 . SER 177 177 19803 1 . VAL 178 178 19803 1 . GLU 179 179 19803 1 . PHE 180 180 19803 1 . LEU 181 181 19803 1 . GLU 182 182 19803 1 . GLN 183 183 19803 1 . ASN 184 184 19803 1 . SER 185 185 19803 1 . ASN 186 186 19803 1 . GLU 187 187 19803 1 . VAL 188 188 19803 1 . GLN 189 189 19803 1 . GLU 190 190 19803 1 . VAL 191 191 19803 1 . PHE 192 192 19803 1 . ALA 193 193 19803 1 . LYS 194 194 19803 1 . ALA 195 195 19803 1 . PHE 196 196 19803 1 . ALA 197 197 19803 1 . TYR 198 198 19803 1 . TYR 199 199 19803 1 . ILE 200 200 19803 1 . GLU 201 201 19803 1 . PRO 202 202 19803 1 . GLN 203 203 19803 1 . HIS 204 204 19803 1 . ARG 205 205 19803 1 . ASP 206 206 19803 1 . VAL 207 207 19803 1 . LEU 208 208 19803 1 . GLN 209 209 19803 1 . LEU 210 210 19803 1 . TYR 211 211 19803 1 . ALA 212 212 19803 1 . PRO 213 213 19803 1 . GLU 214 214 19803 1 . ALA 215 215 19803 1 . PHE 216 216 19803 1 . ASN 217 217 19803 1 . TYR 218 218 19803 1 . MET 219 219 19803 1 . ASP 220 220 19803 1 . LYS 221 221 19803 1 . PHE 222 222 19803 1 . ASN 223 223 19803 1 . GLU 224 224 19803 1 . GLN 225 225 19803 1 . GLU 226 226 19803 1 . ILE 227 227 19803 1 . ASN 228 228 19803 1 . LEU 229 229 19803 1 . SER 230 230 19803 1 . LEU 231 231 19803 1 . GLU 232 232 19803 1 . GLU 233 233 19803 1 . LEU 234 234 19803 1 . LYS 235 235 19803 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 19803 _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 $Anthrax_Lethal_Factor_N-terminal . 1392 organism . 'Bacillus Anthracis' 'Bacillus Anthracis' . . Bacteria . Bacillus Anthracis . . . . . . . . . . . . . 19803 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 19803 _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 $Anthrax_Lethal_Factor_N-terminal . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21' . . . . . pGEX-4T1 . . . 19803 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19803 _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 'Anthrax Lethal Factor N-terminal' '[U-99% 15N]' . . 1 $Anthrax_Lethal_Factor_N-terminal . . 0.3 . . mM . . . . 19803 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19803 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19803 1 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 19803 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19803 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Anthrax Lethal Factor N-terminal' '[U-98% 13C; U-98% 15N]' . . 1 $Anthrax_Lethal_Factor_N-terminal . . 0.3 . . mM . . . . 19803 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19803 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19803 2 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 19803 2 stop_ save_ save_sample_4-8 _Sample.Sf_category sample _Sample.Sf_framecode sample_4-8 _Sample.Entry_ID 19803 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Specific labeling with [U-15N]-Phe+Leu/Tyr+Ala/Val+Ile and reverse labeling 15N Anthrax Lethal Factor N-terminal domain[U-14N]-Lys ; _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 'Anthrax Lethal Factor N-terminal' '[U-99% 15N]' . . 1 $Anthrax_Lethal_Factor_N-terminal . . 0.3 . . mM . . . . 19803 3 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19803 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19803 3 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 19803 3 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19803 _Sample.ID 4 _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 'Anthrax Lethal Factor N-terminal' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Anthrax_Lethal_Factor_N-terminal . . 0.3 . . mM . . . . 19803 4 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19803 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19803 4 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 19803 4 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 19803 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19803 1 pH 7.2 . pH 19803 1 pressure 1 . atm 19803 1 temperature 298 . K 19803 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19803 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19803 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19803 1 processing 19803 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19803 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with Cryoprobe' _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 19803 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance-III _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19803 _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 'equipped with Cryoprobe' . . 19803 1 2 spectrometer_2 Bruker Ascent . 700 'equipped with Cryoprobe' . . 19803 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 19803 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 8 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 1 11 '3D HNCACB' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 1 12 '3D HNCO' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 1 13 '3D HN(CO)CA' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 1 14 '3D HCACO' no . . . . . . . . . . 4 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 16 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19803 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_4-8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19803 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 19803 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19803 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19803 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19803 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 19803 _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' . . . 19803 1 2 '3D 1H-15N NOESY' . . . 19803 1 3 '2D 1H-15N HSQC' . . . 19803 1 4 '3D HNCACB' . . . 19803 1 5 '3D HNCA' . . . 19803 1 6 '3D HN(CO)CA' . . . 19803 1 7 '3D HNCO' . . . 19803 1 8 '3D HNHA' . . . 19803 1 9 '2D 1H-15N HSQC' . . . 19803 1 10 '3D CBCA(CO)NH' . . . 19803 1 11 '3D HNCACB' . . . 19803 1 12 '3D HNCO' . . . 19803 1 13 '3D HN(CO)CA' . . . 19803 1 14 '3D HCACO' . . . 19803 1 15 '3D HCCH-TOCSY' . . . 19803 1 17 '2D 1H-15N HSQC' . . . 19803 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 19803 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ARG H H 1 9.103 0.020 . 1 . . . . . 28 ARG H . 19803 1 2 . 1 1 3 3 ARG HA H 1 4.379 0.020 . 1 . . . . . 28 ARG HA . 19803 1 3 . 1 1 3 3 ARG C C 13 175.859 0.3 . 1 . . . . . 28 ARG C . 19803 1 4 . 1 1 3 3 ARG CA C 13 54.911 0.3 . 1 . . . . . 28 ARG CA . 19803 1 5 . 1 1 3 3 ARG CB C 13 29.148 0.3 . 1 . . . . . 28 ARG CB . 19803 1 6 . 1 1 3 3 ARG N N 15 132.204 0.3 . 1 . . . . . 28 ARG N . 19803 1 7 . 1 1 4 4 ASN H H 1 7.776 0.020 . 1 . . . . . 29 ASN H . 19803 1 8 . 1 1 4 4 ASN HA H 1 3.787 0.020 . 1 . . . . . 29 ASN HA . 19803 1 9 . 1 1 4 4 ASN C C 13 174.290 0.3 . 1 . . . . . 29 ASN C . 19803 1 10 . 1 1 4 4 ASN CA C 13 54.764 0.3 . 1 . . . . . 29 ASN CA . 19803 1 11 . 1 1 4 4 ASN CB C 13 33.928 0.3 . 1 . . . . . 29 ASN CB . 19803 1 12 . 1 1 4 4 ASN N N 15 123.232 0.3 . 1 . . . . . 29 ASN N . 19803 1 13 . 1 1 5 5 LYS H H 1 7.711 0.020 . 1 . . . . . 30 LYS H . 19803 1 14 . 1 1 5 5 LYS CA C 13 56.770 0.3 . 1 . . . . . 30 LYS CA . 19803 1 15 . 1 1 5 5 LYS CB C 13 31.424 0.3 . 1 . . . . . 30 LYS CB . 19803 1 16 . 1 1 5 5 LYS N N 15 112.793 0.3 . 1 . . . . . 30 LYS N . 19803 1 17 . 1 1 6 6 THR H H 1 8.280 0.020 . 1 . . . . . 31 THR H . 19803 1 18 . 1 1 6 6 THR HA H 1 4.272 0.020 . 1 . . . . . 31 THR HA . 19803 1 19 . 1 1 6 6 THR C C 13 175.941 0.3 . 1 . . . . . 31 THR C . 19803 1 20 . 1 1 6 6 THR CA C 13 62.801 0.3 . 1 . . . . . 31 THR CA . 19803 1 21 . 1 1 6 6 THR CB C 13 69.215 0.3 . 1 . . . . . 31 THR CB . 19803 1 22 . 1 1 6 6 THR N N 15 115.490 0.3 . 1 . . . . . 31 THR N . 19803 1 23 . 1 1 7 7 GLN H H 1 8.556 0.020 . 1 . . . . . 32 GLN H . 19803 1 24 . 1 1 7 7 GLN HA H 1 4.249 0.020 . 1 . . . . . 32 GLN HA . 19803 1 25 . 1 1 7 7 GLN HB2 H 1 2.073 0.020 . 1 . . . . . 32 GLN HB2 . 19803 1 26 . 1 1 7 7 GLN HB3 H 1 2.073 0.020 . 1 . . . . . 32 GLN HB3 . 19803 1 27 . 1 1 7 7 GLN HG2 H 1 2.460 0.020 . 1 . . . . . 32 GLN HG2 . 19803 1 28 . 1 1 7 7 GLN HG3 H 1 2.460 0.020 . 1 . . . . . 32 GLN HG3 . 19803 1 29 . 1 1 7 7 GLN C C 13 178.418 0.3 . 1 . . . . . 32 GLN C . 19803 1 30 . 1 1 7 7 GLN CA C 13 57.994 0.3 . 1 . . . . . 32 GLN CA . 19803 1 31 . 1 1 7 7 GLN CB C 13 27.478 0.3 . 1 . . . . . 32 GLN CB . 19803 1 32 . 1 1 7 7 GLN N N 15 122.799 0.3 . 1 . . . . . 32 GLN N . 19803 1 33 . 1 1 8 8 GLU H H 1 8.576 0.020 . 1 . . . . . 33 GLU H . 19803 1 34 . 1 1 8 8 GLU HA H 1 4.126 0.020 . 1 . . . . . 33 GLU HA . 19803 1 35 . 1 1 8 8 GLU HB2 H 1 2.172 0.020 . 1 . . . . . 33 GLU HB2 . 19803 1 36 . 1 1 8 8 GLU HB3 H 1 2.172 0.020 . 1 . . . . . 33 GLU HB3 . 19803 1 37 . 1 1 8 8 GLU HG2 H 1 2.299 0.020 . 1 . . . . . 33 GLU HG2 . 19803 1 38 . 1 1 8 8 GLU HG3 H 1 2.299 0.020 . 1 . . . . . 33 GLU HG3 . 19803 1 39 . 1 1 8 8 GLU C C 13 178.721 0.3 . 1 . . . . . 33 GLU C . 19803 1 40 . 1 1 8 8 GLU CA C 13 59.058 0.3 . 1 . . . . . 33 GLU CA . 19803 1 41 . 1 1 8 8 GLU CB C 13 28.465 0.3 . 1 . . . . . 33 GLU CB . 19803 1 42 . 1 1 8 8 GLU N N 15 121.524 0.3 . 1 . . . . . 33 GLU N . 19803 1 43 . 1 1 9 9 GLU H H 1 8.140 0.020 . 1 . . . . . 34 GLU H . 19803 1 44 . 1 1 9 9 GLU HA H 1 4.057 0.020 . 1 . . . . . 34 GLU HA . 19803 1 45 . 1 1 9 9 GLU HB2 H 1 2.170 0.020 . 1 . . . . . 34 GLU HB2 . 19803 1 46 . 1 1 9 9 GLU HB3 H 1 2.170 0.020 . 1 . . . . . 34 GLU HB3 . 19803 1 47 . 1 1 9 9 GLU HG2 H 1 2.383 0.020 . 1 . . . . . 34 GLU HG2 . 19803 1 48 . 1 1 9 9 GLU HG3 H 1 2.383 0.020 . 1 . . . . . 34 GLU HG3 . 19803 1 49 . 1 1 9 9 GLU C C 13 179.147 0.3 . 1 . . . . . 34 GLU C . 19803 1 50 . 1 1 9 9 GLU CA C 13 58.464 0.3 . 1 . . . . . 34 GLU CA . 19803 1 51 . 1 1 9 9 GLU CB C 13 29.347 0.3 . 1 . . . . . 34 GLU CB . 19803 1 52 . 1 1 9 9 GLU N N 15 120.155 0.3 . 1 . . . . . 34 GLU N . 19803 1 53 . 1 1 10 10 HIS H H 1 8.298 0.020 . 1 . . . . . 35 HIS H . 19803 1 54 . 1 1 10 10 HIS HA H 1 4.310 0.020 . 1 . . . . . 35 HIS HA . 19803 1 55 . 1 1 10 10 HIS HB2 H 1 3.208 0.020 . 1 . . . . . 35 HIS HB2 . 19803 1 56 . 1 1 10 10 HIS HB3 H 1 3.208 0.020 . 1 . . . . . 35 HIS HB3 . 19803 1 57 . 1 1 10 10 HIS C C 13 177.111 0.3 . 1 . . . . . 35 HIS C . 19803 1 58 . 1 1 10 10 HIS CA C 13 58.251 0.3 . 1 . . . . . 35 HIS CA . 19803 1 59 . 1 1 10 10 HIS CB C 13 28.920 0.3 . 1 . . . . . 35 HIS CB . 19803 1 60 . 1 1 10 10 HIS N N 15 120.413 0.3 . 1 . . . . . 35 HIS N . 19803 1 61 . 1 1 11 11 LEU H H 1 8.181 0.020 . 1 . . . . . 36 LEU H . 19803 1 62 . 1 1 11 11 LEU HA H 1 4.126 0.020 . 1 . . . . . 36 LEU HA . 19803 1 63 . 1 1 11 11 LEU HB2 H 1 1.820 0.020 . 1 . . . . . 36 LEU HB2 . 19803 1 64 . 1 1 11 11 LEU HB3 H 1 1.820 0.020 . 1 . . . . . 36 LEU HB3 . 19803 1 65 . 1 1 11 11 LEU C C 13 178.721 0.3 . 1 . . . . . 36 LEU C . 19803 1 66 . 1 1 11 11 LEU CA C 13 57.443 0.3 . 1 . . . . . 36 LEU CA . 19803 1 67 . 1 1 11 11 LEU CB C 13 40.227 0.3 . 1 . . . . . 36 LEU CB . 19803 1 68 . 1 1 11 11 LEU N N 15 120.878 0.3 . 1 . . . . . 36 LEU N . 19803 1 69 . 1 1 12 12 LYS H H 1 7.873 0.020 . 1 . . . . . 37 LYS H . 19803 1 70 . 1 1 12 12 LYS HA H 1 4.145 0.020 . 1 . . . . . 37 LYS HA . 19803 1 71 . 1 1 12 12 LYS HB2 H 1 1.880 0.020 . 1 . . . . . 37 LYS HB2 . 19803 1 72 . 1 1 12 12 LYS HB3 H 1 1.880 0.020 . 1 . . . . . 37 LYS HB3 . 19803 1 73 . 1 1 12 12 LYS C C 13 179.560 0.3 . 1 . . . . . 37 LYS C . 19803 1 74 . 1 1 12 12 LYS CA C 13 59.168 0.3 . 1 . . . . . 37 LYS CA . 19803 1 75 . 1 1 12 12 LYS CB C 13 31.121 0.3 . 1 . . . . . 37 LYS CB . 19803 1 76 . 1 1 12 12 LYS N N 15 118.317 0.3 . 1 . . . . . 37 LYS N . 19803 1 77 . 1 1 13 13 GLU H H 1 7.730 0.020 . 1 . . . . . 38 GLU H . 19803 1 78 . 1 1 13 13 GLU HA H 1 3.977 0.020 . 1 . . . . . 38 GLU HA . 19803 1 79 . 1 1 13 13 GLU HB2 H 1 2.178 0.020 . 1 . . . . . 38 GLU HB2 . 19803 1 80 . 1 1 13 13 GLU HB3 H 1 2.178 0.020 . 1 . . . . . 38 GLU HB3 . 19803 1 81 . 1 1 13 13 GLU C C 13 178.955 0.3 . 1 . . . . . 38 GLU C . 19803 1 82 . 1 1 13 13 GLU CA C 13 58.721 0.3 . 1 . . . . . 38 GLU CA . 19803 1 83 . 1 1 13 13 GLU CB C 13 28.389 0.3 . 1 . . . . . 38 GLU CB . 19803 1 84 . 1 1 13 13 GLU N N 15 120.357 0.3 . 1 . . . . . 38 GLU N . 19803 1 85 . 1 1 14 14 ILE H H 1 8.012 0.020 . 1 . . . . . 39 ILE H . 19803 1 86 . 1 1 14 14 ILE HA H 1 4.544 0.020 . 1 . . . . . 39 ILE HA . 19803 1 87 . 1 1 14 14 ILE HB H 1 1.904 0.020 . 1 . . . . . 39 ILE HB . 19803 1 88 . 1 1 14 14 ILE HG12 H 1 0.883 0.020 . 1 . . . . . 39 ILE HG12 . 19803 1 89 . 1 1 14 14 ILE HG13 H 1 0.883 0.020 . 1 . . . . . 39 ILE HG13 . 19803 1 90 . 1 1 14 14 ILE HG21 H 1 0.615 0.020 . 1 . . . . . 39 ILE HG2 . 19803 1 91 . 1 1 14 14 ILE HG22 H 1 0.615 0.020 . 1 . . . . . 39 ILE HG2 . 19803 1 92 . 1 1 14 14 ILE HG23 H 1 0.615 0.020 . 1 . . . . . 39 ILE HG2 . 19803 1 93 . 1 1 14 14 ILE C C 13 178.995 0.3 . 1 . . . . . 39 ILE C . 19803 1 94 . 1 1 14 14 ILE CA C 13 64.085 0.3 . 1 . . . . . 39 ILE CA . 19803 1 95 . 1 1 14 14 ILE CB C 13 37.040 0.3 . 1 . . . . . 39 ILE CB . 19803 1 96 . 1 1 14 14 ILE N N 15 120.585 0.3 . 1 . . . . . 39 ILE N . 19803 1 97 . 1 1 15 15 MET H H 1 8.436 0.020 . 1 . . . . . 40 MET H . 19803 1 98 . 1 1 15 15 MET HA H 1 4.145 0.020 . 1 . . . . . 40 MET HA . 19803 1 99 . 1 1 15 15 MET C C 13 177.909 0.3 . 1 . . . . . 40 MET C . 19803 1 100 . 1 1 15 15 MET CA C 13 58.691 0.3 . 1 . . . . . 40 MET CA . 19803 1 101 . 1 1 15 15 MET CB C 13 30.969 0.3 . 1 . . . . . 40 MET CB . 19803 1 102 . 1 1 15 15 MET N N 15 118.612 0.3 . 1 . . . . . 40 MET N . 19803 1 103 . 1 1 16 16 LYS H H 1 7.666 0.020 . 1 . . . . . 41 LYS H . 19803 1 104 . 1 1 16 16 LYS HA H 1 4.172 0.020 . 1 . . . . . 41 LYS HA . 19803 1 105 . 1 1 16 16 LYS HB2 H 1 2.043 0.020 . 1 . . . . . 41 LYS HB2 . 19803 1 106 . 1 1 16 16 LYS HB3 H 1 2.043 0.020 . 1 . . . . . 41 LYS HB3 . 19803 1 107 . 1 1 16 16 LYS HG2 H 1 1.374 0.020 . 1 . . . . . 41 LYS HG2 . 19803 1 108 . 1 1 16 16 LYS HG3 H 1 1.374 0.020 . 1 . . . . . 41 LYS HG3 . 19803 1 109 . 1 1 16 16 LYS HD2 H 1 1.746 0.020 . 1 . . . . . 41 LYS HD2 . 19803 1 110 . 1 1 16 16 LYS HD3 H 1 1.746 0.020 . 1 . . . . . 41 LYS HD3 . 19803 1 111 . 1 1 16 16 LYS C C 13 178.322 0.3 . 1 . . . . . 41 LYS C . 19803 1 112 . 1 1 16 16 LYS CA C 13 56.452 0.3 . 1 . . . . . 41 LYS CA . 19803 1 113 . 1 1 16 16 LYS CB C 13 31.134 0.3 . 1 . . . . . 41 LYS CB . 19803 1 114 . 1 1 16 16 LYS N N 15 118.093 0.3 . 1 . . . . . 41 LYS N . 19803 1 115 . 1 1 17 17 HIS H H 1 7.478 0.020 . 1 . . . . . 42 HIS H . 19803 1 116 . 1 1 17 17 HIS HA H 1 4.290 0.020 . 1 . . . . . 42 HIS HA . 19803 1 117 . 1 1 17 17 HIS C C 13 178.912 0.3 . 1 . . . . . 42 HIS C . 19803 1 118 . 1 1 17 17 HIS CA C 13 58.177 0.3 . 1 . . . . . 42 HIS CA . 19803 1 119 . 1 1 17 17 HIS CB C 13 27.858 0.3 . 1 . . . . . 42 HIS CB . 19803 1 120 . 1 1 17 17 HIS N N 15 118.088 0.3 . 1 . . . . . 42 HIS N . 19803 1 121 . 1 1 18 18 ILE H H 1 7.338 0.020 . 1 . . . . . 43 ILE H . 19803 1 122 . 1 1 18 18 ILE HA H 1 4.392 0.020 . 1 . . . . . 43 ILE HA . 19803 1 123 . 1 1 18 18 ILE HB H 1 1.875 0.020 . 1 . . . . . 43 ILE HB . 19803 1 124 . 1 1 18 18 ILE HG12 H 1 1.407 0.020 . 1 . . . . . 43 ILE HG12 . 19803 1 125 . 1 1 18 18 ILE HG13 H 1 1.407 0.020 . 1 . . . . . 43 ILE HG13 . 19803 1 126 . 1 1 18 18 ILE HD11 H 1 0.954 0.020 . 1 . . . . . 43 ILE HD1 . 19803 1 127 . 1 1 18 18 ILE HD12 H 1 0.954 0.020 . 1 . . . . . 43 ILE HD1 . 19803 1 128 . 1 1 18 18 ILE HD13 H 1 0.954 0.020 . 1 . . . . . 43 ILE HD1 . 19803 1 129 . 1 1 18 18 ILE C C 13 177.606 0.3 . 1 . . . . . 43 ILE C . 19803 1 130 . 1 1 18 18 ILE CA C 13 66.470 0.3 . 1 . . . . . 43 ILE CA . 19803 1 131 . 1 1 18 18 ILE CB C 13 39.544 0.3 . 1 . . . . . 43 ILE CB . 19803 1 132 . 1 1 18 18 ILE N N 15 118.884 0.3 . 1 . . . . . 43 ILE N . 19803 1 133 . 1 1 19 19 VAL H H 1 7.991 0.020 . 1 . . . . . 44 VAL H . 19803 1 134 . 1 1 19 19 VAL HA H 1 3.993 0.020 . 1 . . . . . 44 VAL HA . 19803 1 135 . 1 1 19 19 VAL C C 13 175.198 0.3 . 1 . . . . . 44 VAL C . 19803 1 136 . 1 1 19 19 VAL CA C 13 61.810 0.3 . 1 . . . . . 44 VAL CA . 19803 1 137 . 1 1 19 19 VAL CB C 13 30.514 0.3 . 1 . . . . . 44 VAL CB . 19803 1 138 . 1 1 19 19 VAL N N 15 122.237 0.3 . 1 . . . . . 44 VAL N . 19803 1 139 . 1 1 20 20 LYS H H 1 9.115 0.020 . 1 . . . . . 45 LYS H . 19803 1 140 . 1 1 20 20 LYS HA H 1 4.612 0.020 . 1 . . . . . 45 LYS HA . 19803 1 141 . 1 1 20 20 LYS C C 13 174.606 0.3 . 1 . . . . . 45 LYS C . 19803 1 142 . 1 1 20 20 LYS CA C 13 53.664 0.3 . 1 . . . . . 45 LYS CA . 19803 1 143 . 1 1 20 20 LYS CB C 13 32.714 0.3 . 1 . . . . . 45 LYS CB . 19803 1 144 . 1 1 20 20 LYS N N 15 130.647 0.3 . 1 . . . . . 45 LYS N . 19803 1 145 . 1 1 21 21 ILE H H 1 8.772 0.020 . 1 . . . . . 46 ILE H . 19803 1 146 . 1 1 21 21 ILE HA H 1 4.612 0.020 . 1 . . . . . 46 ILE HA . 19803 1 147 . 1 1 21 21 ILE HB H 1 1.916 0.020 . 1 . . . . . 46 ILE HB . 19803 1 148 . 1 1 21 21 ILE HG12 H 1 1.476 0.020 . 1 . . . . . 46 ILE HG12 . 19803 1 149 . 1 1 21 21 ILE HG13 H 1 1.476 0.020 . 1 . . . . . 46 ILE HG13 . 19803 1 150 . 1 1 21 21 ILE HD11 H 1 0.733 0.020 . 1 . . . . . 46 ILE HD1 . 19803 1 151 . 1 1 21 21 ILE HD12 H 1 0.733 0.020 . 1 . . . . . 46 ILE HD1 . 19803 1 152 . 1 1 21 21 ILE HD13 H 1 0.733 0.020 . 1 . . . . . 46 ILE HD1 . 19803 1 153 . 1 1 21 21 ILE C C 13 175.707 0.3 . 1 . . . . . 46 ILE C . 19803 1 154 . 1 1 21 21 ILE CA C 13 60.122 0.3 . 1 . . . . . 46 ILE CA . 19803 1 155 . 1 1 21 21 ILE CB C 13 36.660 0.3 . 1 . . . . . 46 ILE CB . 19803 1 156 . 1 1 21 21 ILE N N 15 125.819 0.3 . 1 . . . . . 46 ILE N . 19803 1 157 . 1 1 22 22 GLU H H 1 8.949 0.020 . 1 . . . . . 47 GLU H . 19803 1 158 . 1 1 22 22 GLU HA H 1 4.200 0.020 . 1 . . . . . 47 GLU HA . 19803 1 159 . 1 1 22 22 GLU C C 13 176.849 0.3 . 1 . . . . . 47 GLU C . 19803 1 160 . 1 1 22 22 GLU CA C 13 55.829 0.3 . 1 . . . . . 47 GLU CA . 19803 1 161 . 1 1 22 22 GLU CB C 13 32.259 0.3 . 1 . . . . . 47 GLU CB . 19803 1 162 . 1 1 22 22 GLU N N 15 118.021 0.3 . 1 . . . . . 47 GLU N . 19803 1 163 . 1 1 23 23 VAL H H 1 7.987 0.020 . 1 . . . . . 48 VAL H . 19803 1 164 . 1 1 23 23 VAL HA H 1 4.175 0.020 . 1 . . . . . 48 VAL HA . 19803 1 165 . 1 1 23 23 VAL C C 13 176.739 0.3 . 1 . . . . . 48 VAL C . 19803 1 166 . 1 1 23 23 VAL CA C 13 56.087 0.3 . 1 . . . . . 48 VAL CA . 19803 1 167 . 1 1 23 23 VAL CB C 13 28.938 0.3 . 1 . . . . . 48 VAL CB . 19803 1 168 . 1 1 23 23 VAL N N 15 115.060 0.3 . 1 . . . . . 48 VAL N . 19803 1 169 . 1 1 24 24 LYS H H 1 7.239 0.020 . 1 . . . . . 49 LYS H . 19803 1 170 . 1 1 24 24 LYS HA H 1 4.067 0.020 . 1 . . . . . 49 LYS HA . 19803 1 171 . 1 1 24 24 LYS C C 13 176.547 0.3 . 1 . . . . . 49 LYS C . 19803 1 172 . 1 1 24 24 LYS CA C 13 54.857 0.3 . 1 . . . . . 49 LYS CA . 19803 1 173 . 1 1 24 24 LYS CB C 13 30.549 0.3 . 1 . . . . . 49 LYS CB . 19803 1 174 . 1 1 24 24 LYS N N 15 123.642 0.3 . 1 . . . . . 49 LYS N . 19803 1 175 . 1 1 25 25 GLY H H 1 8.171 0.020 . 1 . . . . . 50 GLY H . 19803 1 176 . 1 1 25 25 GLY HA2 H 1 4.035 0.020 . 2 . . . . . 50 GLY HA2 . 19803 1 177 . 1 1 25 25 GLY HA3 H 1 3.746 0.020 . 2 . . . . . 50 GLY HA3 . 19803 1 178 . 1 1 25 25 GLY C C 13 173.505 0.3 . 1 . . . . . 50 GLY C . 19803 1 179 . 1 1 25 25 GLY CA C 13 44.416 0.3 . 1 . . . . . 50 GLY CA . 19803 1 180 . 1 1 25 25 GLY N N 15 111.452 0.3 . 1 . . . . . 50 GLY N . 19803 1 181 . 1 1 26 26 GLU H H 1 8.646 0.020 . 1 . . . . . 51 GLU H . 19803 1 182 . 1 1 26 26 GLU HA H 1 4.376 0.020 . 1 . . . . . 51 GLU HA . 19803 1 183 . 1 1 26 26 GLU HB2 H 1 2.070 0.020 . 1 . . . . . 51 GLU HB2 . 19803 1 184 . 1 1 26 26 GLU HB3 H 1 2.070 0.020 . 1 . . . . . 51 GLU HB3 . 19803 1 185 . 1 1 26 26 GLU C C 13 176.657 0.3 . 1 . . . . . 51 GLU C . 19803 1 186 . 1 1 26 26 GLU CA C 13 56.085 0.3 . 1 . . . . . 51 GLU CA . 19803 1 187 . 1 1 26 26 GLU CB C 13 26.947 0.3 . 1 . . . . . 51 GLU CB . 19803 1 188 . 1 1 26 26 GLU N N 15 120.643 0.3 . 1 . . . . . 51 GLU N . 19803 1 189 . 1 1 27 27 GLU H H 1 8.484 0.020 . 1 . . . . . 52 GLU H . 19803 1 190 . 1 1 27 27 GLU HA H 1 4.021 0.020 . 1 . . . . . 52 GLU HA . 19803 1 191 . 1 1 27 27 GLU HB2 H 1 1.903 0.020 . 1 . . . . . 52 GLU HB2 . 19803 1 192 . 1 1 27 27 GLU HB3 H 1 1.903 0.020 . 1 . . . . . 52 GLU HB3 . 19803 1 193 . 1 1 27 27 GLU CA C 13 59.608 0.3 . 1 . . . . . 52 GLU CA . 19803 1 194 . 1 1 27 27 GLU CB C 13 27.098 0.3 . 1 . . . . . 52 GLU CB . 19803 1 195 . 1 1 27 27 GLU N N 15 119.910 0.3 . 1 . . . . . 52 GLU N . 19803 1 196 . 1 1 29 29 VAL C C 13 178.860 0.3 . 1 . . . . . 54 VAL C . 19803 1 197 . 1 1 29 29 VAL CA C 13 65.876 0.3 . 1 . . . . . 54 VAL CA . 19803 1 198 . 1 1 29 29 VAL CB C 13 31.652 0.3 . 1 . . . . . 54 VAL CB . 19803 1 199 . 1 1 30 30 LYS H H 1 8.671 0.020 . 1 . . . . . 55 LYS H . 19803 1 200 . 1 1 30 30 LYS HA H 1 4.323 0.020 . 1 . . . . . 55 LYS HA . 19803 1 201 . 1 1 30 30 LYS C C 13 177.372 0.3 . 1 . . . . . 55 LYS C . 19803 1 202 . 1 1 30 30 LYS CA C 13 56.893 0.3 . 1 . . . . . 55 LYS CA . 19803 1 203 . 1 1 30 30 LYS CB C 13 27.239 0.3 . 1 . . . . . 55 LYS CB . 19803 1 204 . 1 1 30 30 LYS N N 15 116.430 0.3 . 1 . . . . . 55 LYS N . 19803 1 205 . 1 1 31 31 LYS H H 1 8.478 0.020 . 1 . . . . . 56 LYS H . 19803 1 206 . 1 1 31 31 LYS HA H 1 4.007 0.020 . 1 . . . . . 56 LYS HA . 19803 1 207 . 1 1 31 31 LYS HB2 H 1 1.875 0.020 . 1 . . . . . 56 LYS HB2 . 19803 1 208 . 1 1 31 31 LYS HB3 H 1 1.875 0.020 . 1 . . . . . 56 LYS HB3 . 19803 1 209 . 1 1 31 31 LYS C C 13 176.024 0.3 . 1 . . . . . 56 LYS C . 19803 1 210 . 1 1 31 31 LYS CA C 13 58.656 0.3 . 1 . . . . . 56 LYS CA . 19803 1 211 . 1 1 31 31 LYS CB C 13 29.451 0.3 . 1 . . . . . 56 LYS CB . 19803 1 212 . 1 1 31 31 LYS N N 15 118.787 0.3 . 1 . . . . . 56 LYS N . 19803 1 213 . 1 1 32 32 GLU H H 1 8.144 0.020 . 1 . . . . . 57 GLU H . 19803 1 214 . 1 1 32 32 GLU HA H 1 4.200 0.020 . 1 . . . . . 57 GLU HA . 19803 1 215 . 1 1 32 32 GLU HB2 H 1 1.999 0.020 . 1 . . . . . 57 GLU HB2 . 19803 1 216 . 1 1 32 32 GLU HB3 H 1 1.999 0.020 . 1 . . . . . 57 GLU HB3 . 19803 1 217 . 1 1 32 32 GLU HG2 H 1 2.246 0.020 . 1 . . . . . 57 GLU HG2 . 19803 1 218 . 1 1 32 32 GLU HG3 H 1 2.246 0.020 . 1 . . . . . 57 GLU HG3 . 19803 1 219 . 1 1 32 32 GLU CA C 13 53.507 0.3 . 1 . . . . . 57 GLU CA . 19803 1 220 . 1 1 32 32 GLU CB C 13 28.465 0.3 . 1 . . . . . 57 GLU CB . 19803 1 221 . 1 1 32 32 GLU N N 15 119.260 0.3 . 1 . . . . . 57 GLU N . 19803 1 222 . 1 1 34 34 ALA H H 1 7.393 0.020 . 1 . . . . . 59 ALA H . 19803 1 223 . 1 1 34 34 ALA HA H 1 3.856 0.020 . 1 . . . . . 59 ALA HA . 19803 1 224 . 1 1 34 34 ALA CA C 13 51.382 0.3 . 1 . . . . . 59 ALA CA . 19803 1 225 . 1 1 34 34 ALA CB C 13 22.166 0.3 . 1 . . . . . 59 ALA CB . 19803 1 226 . 1 1 34 34 ALA N N 15 116.785 0.3 . 1 . . . . . 59 ALA N . 19803 1 227 . 1 1 35 35 GLU H H 1 6.400 0.020 . 1 . . . . . 60 GLU H . 19803 1 228 . 1 1 35 35 GLU CA C 13 59.021 0.3 . 1 . . . . . 60 GLU CA . 19803 1 229 . 1 1 35 35 GLU CB C 13 27.478 0.3 . 1 . . . . . 60 GLU CB . 19803 1 230 . 1 1 35 35 GLU N N 15 112.199 0.3 . 1 . . . . . 60 GLU N . 19803 1 231 . 1 1 36 36 LYS H H 1 9.123 0.020 . 1 . . . . . 61 LYS H . 19803 1 232 . 1 1 36 36 LYS HA H 1 4.516 0.020 . 1 . . . . . 61 LYS HA . 19803 1 233 . 1 1 36 36 LYS HB2 H 1 2.260 0.020 . 1 . . . . . 61 LYS HB2 . 19803 1 234 . 1 1 36 36 LYS HB3 H 1 2.260 0.020 . 1 . . . . . 61 LYS HB3 . 19803 1 235 . 1 1 36 36 LYS C C 13 176.629 0.3 . 1 . . . . . 61 LYS C . 19803 1 236 . 1 1 36 36 LYS CA C 13 55.425 0.3 . 1 . . . . . 61 LYS CA . 19803 1 237 . 1 1 36 36 LYS CB C 13 32.638 0.3 . 1 . . . . . 61 LYS CB . 19803 1 238 . 1 1 36 36 LYS N N 15 123.804 0.3 . 1 . . . . . 61 LYS N . 19803 1 239 . 1 1 37 37 LEU C C 13 177.605 0.3 . 1 . . . . . 62 LEU C . 19803 1 240 . 1 1 37 37 LEU CA C 13 58.580 0.3 . 1 . . . . . 62 LEU CA . 19803 1 241 . 1 1 37 37 LEU CB C 13 39.999 0.3 . 1 . . . . . 62 LEU CB . 19803 1 242 . 1 1 38 38 LEU H H 1 8.083 0.020 . 1 . . . . . 63 LEU H . 19803 1 243 . 1 1 38 38 LEU HA H 1 4.158 0.020 . 1 . . . . . 63 LEU HA . 19803 1 244 . 1 1 38 38 LEU C C 13 178.363 0.3 . 1 . . . . . 63 LEU C . 19803 1 245 . 1 1 38 38 LEU CA C 13 59.388 0.3 . 1 . . . . . 63 LEU CA . 19803 1 246 . 1 1 38 38 LEU CB C 13 37.343 0.3 . 1 . . . . . 63 LEU CB . 19803 1 247 . 1 1 38 38 LEU N N 15 118.848 0.3 . 1 . . . . . 63 LEU N . 19803 1 248 . 1 1 40 40 LYS C C 13 176.934 0.3 . 1 . . . . . 65 LYS C . 19803 1 249 . 1 1 40 40 LYS CA C 13 55.712 0.3 . 1 . . . . . 65 LYS CA . 19803 1 250 . 1 1 40 40 LYS CB C 13 31.424 0.3 . 1 . . . . . 65 LYS CB . 19803 1 251 . 1 1 41 41 VAL H H 1 7.589 0.020 . 1 . . . . . 66 VAL H . 19803 1 252 . 1 1 41 41 VAL HA H 1 4.213 0.020 . 1 . . . . . 66 VAL HA . 19803 1 253 . 1 1 41 41 VAL HB H 1 2.164 0.020 . 1 . . . . . 66 VAL HB . 19803 1 254 . 1 1 41 41 VAL HG11 H 1 0.912 0.020 . 1 . . . . . 66 VAL HG1 . 19803 1 255 . 1 1 41 41 VAL HG12 H 1 0.912 0.020 . 1 . . . . . 66 VAL HG1 . 19803 1 256 . 1 1 41 41 VAL HG13 H 1 0.912 0.020 . 1 . . . . . 66 VAL HG1 . 19803 1 257 . 1 1 41 41 VAL HG21 H 1 0.912 0.020 . 1 . . . . . 66 VAL HG2 . 19803 1 258 . 1 1 41 41 VAL HG22 H 1 0.912 0.020 . 1 . . . . . 66 VAL HG2 . 19803 1 259 . 1 1 41 41 VAL HG23 H 1 0.912 0.020 . 1 . . . . . 66 VAL HG2 . 19803 1 260 . 1 1 41 41 VAL C C 13 173.189 0.3 . 1 . . . . . 66 VAL C . 19803 1 261 . 1 1 41 41 VAL CA C 13 59.792 0.3 . 1 . . . . . 66 VAL CA . 19803 1 262 . 1 1 41 41 VAL CB C 13 31.424 0.3 . 1 . . . . . 66 VAL CB . 19803 1 263 . 1 1 41 41 VAL N N 15 121.829 0.3 . 1 . . . . . 66 VAL N . 19803 1 264 . 1 1 42 42 PRO C C 13 176.712 0.3 . 1 . . . . . 67 PRO C . 19803 1 265 . 1 1 42 42 PRO CA C 13 69.222 0.3 . 1 . . . . . 67 PRO CA . 19803 1 266 . 1 1 42 42 PRO CB C 13 37.116 0.3 . 1 . . . . . 67 PRO CB . 19803 1 267 . 1 1 43 43 SER H H 1 7.639 0.020 . 1 . . . . . 68 SER H . 19803 1 268 . 1 1 43 43 SER HA H 1 4.037 0.020 . 1 . . . . . 68 SER HA . 19803 1 269 . 1 1 43 43 SER HB2 H 1 2.356 0.020 . 1 . . . . . 68 SER HB2 . 19803 1 270 . 1 1 43 43 SER HB3 H 1 2.356 0.020 . 1 . . . . . 68 SER HB3 . 19803 1 271 . 1 1 43 43 SER CA C 13 60.342 0.3 . 1 . . . . . 68 SER CA . 19803 1 272 . 1 1 43 43 SER N N 15 115.947 0.3 . 1 . . . . . 68 SER N . 19803 1 273 . 1 1 44 44 ASP H H 1 8.239 0.020 . 1 . . . . . 69 ASP H . 19803 1 274 . 1 1 44 44 ASP HA H 1 4.103 0.020 . 1 . . . . . 69 ASP HA . 19803 1 275 . 1 1 44 44 ASP CA C 13 54.493 0.3 . 1 . . . . . 69 ASP CA . 19803 1 276 . 1 1 44 44 ASP CB C 13 40.075 0.3 . 1 . . . . . 69 ASP CB . 19803 1 277 . 1 1 44 44 ASP N N 15 127.589 0.3 . 1 . . . . . 69 ASP N . 19803 1 278 . 1 1 45 45 VAL H H 1 7.967 0.020 . 1 . . . . . 70 VAL H . 19803 1 279 . 1 1 45 45 VAL HA H 1 3.828 0.020 . 1 . . . . . 70 VAL HA . 19803 1 280 . 1 1 45 45 VAL C C 13 175.184 0.3 . 1 . . . . . 70 VAL C . 19803 1 281 . 1 1 45 45 VAL CA C 13 58.250 0.3 . 1 . . . . . 70 VAL CA . 19803 1 282 . 1 1 45 45 VAL CB C 13 30.438 0.3 . 1 . . . . . 70 VAL CB . 19803 1 283 . 1 1 45 45 VAL N N 15 122.170 0.3 . 1 . . . . . 70 VAL N . 19803 1 284 . 1 1 46 46 LEU H H 1 7.675 0.020 . 1 . . . . . 71 LEU H . 19803 1 285 . 1 1 46 46 LEU HA H 1 4.145 0.020 . 1 . . . . . 71 LEU HA . 19803 1 286 . 1 1 46 46 LEU CA C 13 57.296 0.3 . 1 . . . . . 71 LEU CA . 19803 1 287 . 1 1 46 46 LEU CB C 13 42.200 0.3 . 1 . . . . . 71 LEU CB . 19803 1 288 . 1 1 46 46 LEU N N 15 127.557 0.3 . 1 . . . . . 71 LEU N . 19803 1 289 . 1 1 47 47 GLU H H 1 8.565 0.020 . 1 . . . . . 72 GLU H . 19803 1 290 . 1 1 47 47 GLU C C 13 179.546 0.3 . 1 . . . . . 72 GLU C . 19803 1 291 . 1 1 47 47 GLU CA C 13 59.351 0.3 . 1 . . . . . 72 GLU CA . 19803 1 292 . 1 1 47 47 GLU CB C 13 28.692 0.3 . 1 . . . . . 72 GLU CB . 19803 1 293 . 1 1 47 47 GLU N N 15 119.515 0.3 . 1 . . . . . 72 GLU N . 19803 1 294 . 1 1 48 48 MET H H 1 6.837 0.020 . 1 . . . . . 73 MET H . 19803 1 295 . 1 1 48 48 MET CA C 13 59.131 0.3 . 1 . . . . . 73 MET CA . 19803 1 296 . 1 1 48 48 MET CB C 13 33.397 0.3 . 1 . . . . . 73 MET CB . 19803 1 297 . 1 1 48 48 MET N N 15 112.824 0.3 . 1 . . . . . 73 MET N . 19803 1 298 . 1 1 49 49 TYR H H 1 8.488 0.020 . 1 . . . . . 74 TYR H . 19803 1 299 . 1 1 49 49 TYR C C 13 177.551 0.3 . 1 . . . . . 74 TYR C . 19803 1 300 . 1 1 49 49 TYR CA C 13 55.386 0.3 . 1 . . . . . 74 TYR CA . 19803 1 301 . 1 1 49 49 TYR CB C 13 39.322 0.3 . 1 . . . . . 74 TYR CB . 19803 1 302 . 1 1 49 49 TYR N N 15 117.082 0.3 . 1 . . . . . 74 TYR N . 19803 1 303 . 1 1 50 50 LYS H H 1 7.452 0.020 . 1 . . . . . 75 LYS H . 19803 1 304 . 1 1 50 50 LYS HA H 1 4.100 0.020 . 1 . . . . . 75 LYS HA . 19803 1 305 . 1 1 50 50 LYS C C 13 176.226 0.3 . 1 . . . . . 75 LYS C . 19803 1 306 . 1 1 50 50 LYS CA C 13 55.462 0.3 . 1 . . . . . 75 LYS CA . 19803 1 307 . 1 1 50 50 LYS CB C 13 31.197 0.3 . 1 . . . . . 75 LYS CB . 19803 1 308 . 1 1 50 50 LYS N N 15 118.790 0.3 . 1 . . . . . 75 LYS N . 19803 1 309 . 1 1 51 51 ALA H H 1 8.348 0.020 . 1 . . . . . 76 ALA H . 19803 1 310 . 1 1 51 51 ALA C C 13 178.776 0.3 . 1 . . . . . 76 ALA C . 19803 1 311 . 1 1 51 51 ALA CA C 13 54.911 0.3 . 1 . . . . . 76 ALA CA . 19803 1 312 . 1 1 51 51 ALA CB C 13 17.461 0.3 . 1 . . . . . 76 ALA CB . 19803 1 313 . 1 1 51 51 ALA N N 15 121.471 0.3 . 1 . . . . . 76 ALA N . 19803 1 314 . 1 1 52 52 ILE H H 1 7.270 0.020 . 1 . . . . . 77 ILE H . 19803 1 315 . 1 1 52 52 ILE HA H 1 4.378 0.020 . 1 . . . . . 77 ILE HA . 19803 1 316 . 1 1 52 52 ILE C C 13 175.299 0.3 . 1 . . . . . 77 ILE C . 19803 1 317 . 1 1 52 52 ILE CA C 13 60.856 0.3 . 1 . . . . . 77 ILE CA . 19803 1 318 . 1 1 52 52 ILE CB C 13 36.660 0.3 . 1 . . . . . 77 ILE CB . 19803 1 319 . 1 1 52 52 ILE N N 15 110.572 0.3 . 1 . . . . . 77 ILE N . 19803 1 320 . 1 1 53 53 GLY H H 1 7.801 0.020 . 1 . . . . . 78 GLY H . 19803 1 321 . 1 1 53 53 GLY HA2 H 1 4.027 0.020 . 2 . . . . . 78 GLY HA2 . 19803 1 322 . 1 1 53 53 GLY HA3 H 1 3.613 0.020 . 2 . . . . . 78 GLY HA3 . 19803 1 323 . 1 1 53 53 GLY C C 13 175.243 0.3 . 1 . . . . . 78 GLY C . 19803 1 324 . 1 1 53 53 GLY CA C 13 45.130 0.3 . 1 . . . . . 78 GLY CA . 19803 1 325 . 1 1 53 53 GLY N N 15 109.255 0.3 . 1 . . . . . 78 GLY N . 19803 1 326 . 1 1 54 54 GLY H H 1 7.880 0.020 . 1 . . . . . 79 GLY H . 19803 1 327 . 1 1 54 54 GLY HA2 H 1 4.021 0.020 . 2 . . . . . 79 GLY HA2 . 19803 1 328 . 1 1 54 54 GLY HA3 H 1 3.622 0.020 . 2 . . . . . 79 GLY HA3 . 19803 1 329 . 1 1 54 54 GLY CA C 13 44.380 0.3 . 1 . . . . . 79 GLY CA . 19803 1 330 . 1 1 54 54 GLY N N 15 108.738 0.3 . 1 . . . . . 79 GLY N . 19803 1 331 . 1 1 56 56 ILE C C 13 173.657 0.3 . 1 . . . . . 81 ILE C . 19803 1 332 . 1 1 56 56 ILE CA C 13 59.828 0.3 . 1 . . . . . 81 ILE CA . 19803 1 333 . 1 1 56 56 ILE CB C 13 39.240 0.3 . 1 . . . . . 81 ILE CB . 19803 1 334 . 1 1 57 57 TYR H H 1 9.318 0.020 . 1 . . . . . 82 TYR H . 19803 1 335 . 1 1 57 57 TYR HA H 1 5.118 0.020 . 1 . . . . . 82 TYR HA . 19803 1 336 . 1 1 57 57 TYR C C 13 174.180 0.3 . 1 . . . . . 82 TYR C . 19803 1 337 . 1 1 57 57 TYR CA C 13 56.049 0.3 . 1 . . . . . 82 TYR CA . 19803 1 338 . 1 1 57 57 TYR CB C 13 39.772 0.3 . 1 . . . . . 82 TYR CB . 19803 1 339 . 1 1 57 57 TYR N N 15 126.700 0.3 . 1 . . . . . 82 TYR N . 19803 1 340 . 1 1 58 58 ILE H H 1 8.453 0.020 . 1 . . . . . 83 ILE H . 19803 1 341 . 1 1 58 58 ILE HB H 1 1.820 0.020 . 1 . . . . . 83 ILE HB . 19803 1 342 . 1 1 58 58 ILE C C 13 175.570 0.3 . 1 . . . . . 83 ILE C . 19803 1 343 . 1 1 58 58 ILE CA C 13 58.324 0.3 . 1 . . . . . 83 ILE CA . 19803 1 344 . 1 1 58 58 ILE CB C 13 36.129 0.3 . 1 . . . . . 83 ILE CB . 19803 1 345 . 1 1 58 58 ILE N N 15 124.392 0.3 . 1 . . . . . 83 ILE N . 19803 1 346 . 1 1 59 59 VAL H H 1 8.335 0.020 . 1 . . . . . 84 VAL H . 19803 1 347 . 1 1 59 59 VAL HA H 1 4.138 0.020 . 1 . . . . . 84 VAL HA . 19803 1 348 . 1 1 59 59 VAL C C 13 174.882 0.3 . 1 . . . . . 84 VAL C . 19803 1 349 . 1 1 59 59 VAL CA C 13 57.810 0.3 . 1 . . . . . 84 VAL CA . 19803 1 350 . 1 1 59 59 VAL CB C 13 33.719 0.3 . 1 . . . . . 84 VAL CB . 19803 1 351 . 1 1 59 59 VAL N N 15 118.961 0.3 . 1 . . . . . 84 VAL N . 19803 1 352 . 1 1 60 60 ASP H H 1 8.387 0.020 . 1 . . . . . 85 ASP H . 19803 1 353 . 1 1 60 60 ASP HA H 1 4.435 0.020 . 1 . . . . . 85 ASP HA . 19803 1 354 . 1 1 60 60 ASP HB2 H 1 2.659 0.020 . 1 . . . . . 85 ASP HB2 . 19803 1 355 . 1 1 60 60 ASP HB3 H 1 2.659 0.020 . 1 . . . . . 85 ASP HB3 . 19803 1 356 . 1 1 60 60 ASP C C 13 177.290 0.3 . 1 . . . . . 85 ASP C . 19803 1 357 . 1 1 60 60 ASP CA C 13 52.856 0.3 . 1 . . . . . 85 ASP CA . 19803 1 358 . 1 1 60 60 ASP CB C 13 42.200 0.3 . 1 . . . . . 85 ASP CB . 19803 1 359 . 1 1 60 60 ASP N N 15 122.268 0.3 . 1 . . . . . 85 ASP N . 19803 1 360 . 1 1 61 61 GLY H H 1 8.705 0.020 . 1 . . . . . 86 GLY H . 19803 1 361 . 1 1 61 61 GLY HA2 H 1 3.944 0.020 . 1 . . . . . 86 GLY HA2 . 19803 1 362 . 1 1 61 61 GLY HA3 H 1 3.944 0.020 . 1 . . . . . 86 GLY HA3 . 19803 1 363 . 1 1 61 61 GLY C C 13 173.024 0.3 . 1 . . . . . 86 GLY C . 19803 1 364 . 1 1 61 61 GLY CA C 13 45.370 0.3 . 1 . . . . . 86 GLY CA . 19803 1 365 . 1 1 61 61 GLY N N 15 109.922 0.3 . 1 . . . . . 86 GLY N . 19803 1 366 . 1 1 62 62 ASP H H 1 7.880 0.020 . 1 . . . . . 87 ASP H . 19803 1 367 . 1 1 62 62 ASP HA H 1 4.131 0.020 . 1 . . . . . 87 ASP HA . 19803 1 368 . 1 1 62 62 ASP C C 13 180.248 0.3 . 1 . . . . . 87 ASP C . 19803 1 369 . 1 1 62 62 ASP CA C 13 52.673 0.3 . 1 . . . . . 87 ASP CA . 19803 1 370 . 1 1 62 62 ASP CB C 13 40.075 0.3 . 1 . . . . . 87 ASP CB . 19803 1 371 . 1 1 62 62 ASP N N 15 120.954 0.3 . 1 . . . . . 87 ASP N . 19803 1 372 . 1 1 63 63 ILE H H 1 9.366 0.020 . 1 . . . . . 88 ILE H . 19803 1 373 . 1 1 63 63 ILE HA H 1 4.389 0.020 . 1 . . . . . 88 ILE HA . 19803 1 374 . 1 1 63 63 ILE C C 13 177.042 0.3 . 1 . . . . . 88 ILE C . 19803 1 375 . 1 1 63 63 ILE CA C 13 64.562 0.3 . 1 . . . . . 88 ILE CA . 19803 1 376 . 1 1 63 63 ILE CB C 13 36.053 0.3 . 1 . . . . . 88 ILE CB . 19803 1 377 . 1 1 63 63 ILE N N 15 127.988 0.3 . 1 . . . . . 88 ILE N . 19803 1 378 . 1 1 64 64 THR H H 1 8.523 0.020 . 1 . . . . . 89 THR H . 19803 1 379 . 1 1 64 64 THR C C 13 175.281 0.3 . 1 . . . . . 89 THR C . 19803 1 380 . 1 1 64 64 THR CA C 13 63.351 0.3 . 1 . . . . . 89 THR CA . 19803 1 381 . 1 1 64 64 THR CB C 13 67.470 0.3 . 1 . . . . . 89 THR CB . 19803 1 382 . 1 1 64 64 THR N N 15 109.577 0.3 . 1 . . . . . 89 THR N . 19803 1 383 . 1 1 65 65 LYS H H 1 7.393 0.020 . 1 . . . . . 90 LYS H . 19803 1 384 . 1 1 65 65 LYS HA H 1 4.131 0.020 . 1 . . . . . 90 LYS HA . 19803 1 385 . 1 1 65 65 LYS C C 13 177.070 0.3 . 1 . . . . . 90 LYS C . 19803 1 386 . 1 1 65 65 LYS CA C 13 54.911 0.3 . 1 . . . . . 90 LYS CA . 19803 1 387 . 1 1 65 65 LYS CB C 13 30.741 0.3 . 1 . . . . . 90 LYS CB . 19803 1 388 . 1 1 65 65 LYS N N 15 118.638 0.3 . 1 . . . . . 90 LYS N . 19803 1 389 . 1 1 66 66 HIS H H 1 7.488 0.020 . 1 . . . . . 91 HIS H . 19803 1 390 . 1 1 66 66 HIS C C 13 176.615 0.3 . 1 . . . . . 91 HIS C . 19803 1 391 . 1 1 66 66 HIS CA C 13 58.728 0.3 . 1 . . . . . 91 HIS CA . 19803 1 392 . 1 1 66 66 HIS CB C 13 30.969 0.3 . 1 . . . . . 91 HIS CB . 19803 1 393 . 1 1 66 66 HIS N N 15 121.356 0.3 . 1 . . . . . 91 HIS N . 19803 1 394 . 1 1 67 67 ILE H H 1 6.906 0.020 . 1 . . . . . 92 ILE H . 19803 1 395 . 1 1 67 67 ILE CA C 13 65.149 0.3 . 1 . . . . . 92 ILE CA . 19803 1 396 . 1 1 67 67 ILE N N 15 113.614 0.3 . 1 . . . . . 92 ILE N . 19803 1 397 . 1 1 68 68 SER H H 1 7.713 0.020 . 1 . . . . . 93 SER H . 19803 1 398 . 1 1 68 68 SER CA C 13 58.001 0.3 . 1 . . . . . 93 SER CA . 19803 1 399 . 1 1 68 68 SER CB C 13 62.799 0.3 . 1 . . . . . 93 SER CB . 19803 1 400 . 1 1 68 68 SER N N 15 114.710 0.3 . 1 . . . . . 93 SER N . 19803 1 401 . 1 1 69 69 LEU H H 1 8.144 0.020 . 1 . . . . . 94 LEU H . 19803 1 402 . 1 1 69 69 LEU HA H 1 4.287 0.020 . 1 . . . . . 94 LEU HA . 19803 1 403 . 1 1 69 69 LEU C C 13 177.895 0.3 . 1 . . . . . 94 LEU C . 19803 1 404 . 1 1 69 69 LEU CA C 13 55.168 0.3 . 1 . . . . . 94 LEU CA . 19803 1 405 . 1 1 69 69 LEU CB C 13 40.910 0.3 . 1 . . . . . 94 LEU CB . 19803 1 406 . 1 1 69 69 LEU N N 15 124.274 0.3 . 1 . . . . . 94 LEU N . 19803 1 407 . 1 1 70 70 GLU H H 1 9.133 0.020 . 1 . . . . . 95 GLU H . 19803 1 408 . 1 1 70 70 GLU CA C 13 57.003 0.3 . 1 . . . . . 95 GLU CA . 19803 1 409 . 1 1 70 70 GLU CB C 13 28.692 0.3 . 1 . . . . . 95 GLU CB . 19803 1 410 . 1 1 70 70 GLU N N 15 121.099 0.3 . 1 . . . . . 95 GLU N . 19803 1 411 . 1 1 71 71 ALA H H 1 8.294 0.020 . 1 . . . . . 96 ALA H . 19803 1 412 . 1 1 71 71 ALA HA H 1 4.131 0.020 . 1 . . . . . 96 ALA HA . 19803 1 413 . 1 1 71 71 ALA C C 13 177.758 0.3 . 1 . . . . . 96 ALA C . 19803 1 414 . 1 1 71 71 ALA CA C 13 51.242 0.3 . 1 . . . . . 96 ALA CA . 19803 1 415 . 1 1 71 71 ALA CB C 13 17.537 0.3 . 1 . . . . . 96 ALA CB . 19803 1 416 . 1 1 71 71 ALA N N 15 120.990 0.3 . 1 . . . . . 96 ALA N . 19803 1 417 . 1 1 72 72 LEU H H 1 7.335 0.020 . 1 . . . . . 97 LEU H . 19803 1 418 . 1 1 72 72 LEU HA H 1 4.326 0.020 . 1 . . . . . 97 LEU HA . 19803 1 419 . 1 1 72 72 LEU C C 13 177.386 0.3 . 1 . . . . . 97 LEU C . 19803 1 420 . 1 1 72 72 LEU CA C 13 55.278 0.3 . 1 . . . . . 97 LEU CA . 19803 1 421 . 1 1 72 72 LEU CB C 13 41.972 0.3 . 1 . . . . . 97 LEU CB . 19803 1 422 . 1 1 72 72 LEU N N 15 121.347 0.3 . 1 . . . . . 97 LEU N . 19803 1 423 . 1 1 73 73 SER H H 1 7.572 0.020 . 1 . . . . . 98 SER H . 19803 1 424 . 1 1 73 73 SER HA H 1 4.627 0.020 . 1 . . . . . 98 SER HA . 19803 1 425 . 1 1 73 73 SER CA C 13 65.334 0.3 . 1 . . . . . 98 SER CA . 19803 1 426 . 1 1 73 73 SER N N 15 111.622 0.3 . 1 . . . . . 98 SER N . 19803 1 427 . 1 1 74 74 GLU H H 1 8.425 0.020 . 1 . . . . . 99 GLU H . 19803 1 428 . 1 1 74 74 GLU HA H 1 4.381 0.020 . 1 . . . . . 99 GLU HA . 19803 1 429 . 1 1 74 74 GLU CA C 13 56.636 0.3 . 1 . . . . . 99 GLU CA . 19803 1 430 . 1 1 74 74 GLU N N 15 121.879 0.3 . 1 . . . . . 99 GLU N . 19803 1 431 . 1 1 75 75 ASP H H 1 7.947 0.020 . 1 . . . . . 100 ASP H . 19803 1 432 . 1 1 75 75 ASP HA H 1 4.230 0.020 . 1 . . . . . 100 ASP HA . 19803 1 433 . 1 1 75 75 ASP C C 13 176.326 0.3 . 1 . . . . . 100 ASP C . 19803 1 434 . 1 1 75 75 ASP CA C 13 54.654 0.3 . 1 . . . . . 100 ASP CA . 19803 1 435 . 1 1 75 75 ASP CB C 13 41.062 0.3 . 1 . . . . . 100 ASP CB . 19803 1 436 . 1 1 75 75 ASP N N 15 117.121 0.3 . 1 . . . . . 100 ASP N . 19803 1 437 . 1 1 76 76 LYS H H 1 7.723 0.020 . 1 . . . . . 101 LYS H . 19803 1 438 . 1 1 76 76 LYS HA H 1 4.319 0.020 . 1 . . . . . 101 LYS HA . 19803 1 439 . 1 1 76 76 LYS C C 13 181.335 0.3 . 1 . . . . . 101 LYS C . 19803 1 440 . 1 1 76 76 LYS CA C 13 57.223 0.3 . 1 . . . . . 101 LYS CA . 19803 1 441 . 1 1 76 76 LYS CB C 13 32.638 0.3 . 1 . . . . . 101 LYS CB . 19803 1 442 . 1 1 76 76 LYS N N 15 127.965 0.3 . 1 . . . . . 101 LYS N . 19803 1 443 . 1 1 77 77 LYS H H 1 7.614 0.020 . 1 . . . . . 102 LYS H . 19803 1 444 . 1 1 77 77 LYS C C 13 176.836 0.3 . 1 . . . . . 102 LYS C . 19803 1 445 . 1 1 77 77 LYS CA C 13 59.046 0.3 . 1 . . . . . 102 LYS CA . 19803 1 446 . 1 1 77 77 LYS CB C 13 33.701 0.3 . 1 . . . . . 102 LYS CB . 19803 1 447 . 1 1 77 77 LYS N N 15 114.521 0.3 . 1 . . . . . 102 LYS N . 19803 1 448 . 1 1 78 78 LYS H H 1 6.608 0.020 . 1 . . . . . 103 LYS H . 19803 1 449 . 1 1 78 78 LYS HA H 1 4.026 0.020 . 1 . . . . . 103 LYS HA . 19803 1 450 . 1 1 78 78 LYS C C 13 176.959 0.3 . 1 . . . . . 103 LYS C . 19803 1 451 . 1 1 78 78 LYS CA C 13 55.755 0.3 . 1 . . . . . 103 LYS CA . 19803 1 452 . 1 1 78 78 LYS CB C 13 31.652 0.3 . 1 . . . . . 103 LYS CB . 19803 1 453 . 1 1 78 78 LYS N N 15 115.327 0.3 . 1 . . . . . 103 LYS N . 19803 1 454 . 1 1 79 79 ILE H H 1 8.392 0.020 . 1 . . . . . 104 ILE H . 19803 1 455 . 1 1 79 79 ILE HA H 1 4.158 0.020 . 1 . . . . . 104 ILE HA . 19803 1 456 . 1 1 79 79 ILE C C 13 175.160 0.3 . 1 . . . . . 104 ILE C . 19803 1 457 . 1 1 79 79 ILE CA C 13 58.250 0.3 . 1 . . . . . 104 ILE CA . 19803 1 458 . 1 1 79 79 ILE CB C 13 41.365 0.3 . 1 . . . . . 104 ILE CB . 19803 1 459 . 1 1 79 79 ILE N N 15 119.348 0.3 . 1 . . . . . 104 ILE N . 19803 1 460 . 1 1 80 80 LYS H H 1 8.067 0.020 . 1 . . . . . 105 LYS H . 19803 1 461 . 1 1 80 80 LYS HA H 1 4.062 0.020 . 1 . . . . . 105 LYS HA . 19803 1 462 . 1 1 80 80 LYS C C 13 176.836 0.3 . 1 . . . . . 105 LYS C . 19803 1 463 . 1 1 80 80 LYS CA C 13 53.957 0.3 . 1 . . . . . 105 LYS CA . 19803 1 464 . 1 1 80 80 LYS CB C 13 35.370 0.3 . 1 . . . . . 105 LYS CB . 19803 1 465 . 1 1 80 80 LYS N N 15 120.142 0.3 . 1 . . . . . 105 LYS N . 19803 1 466 . 1 1 81 81 ASP H H 1 8.448 0.020 . 1 . . . . . 106 ASP H . 19803 1 467 . 1 1 81 81 ASP C C 13 178.044 0.3 . 1 . . . . . 106 ASP C . 19803 1 468 . 1 1 81 81 ASP CA C 13 51.939 0.3 . 1 . . . . . 106 ASP CA . 19803 1 469 . 1 1 81 81 ASP CB C 13 40.454 0.3 . 1 . . . . . 106 ASP CB . 19803 1 470 . 1 1 81 81 ASP N N 15 123.918 0.3 . 1 . . . . . 106 ASP N . 19803 1 471 . 1 1 82 82 ILE H H 1 8.076 0.020 . 1 . . . . . 107 ILE H . 19803 1 472 . 1 1 82 82 ILE HA H 1 4.062 0.020 . 1 . . . . . 107 ILE HA . 19803 1 473 . 1 1 82 82 ILE C C 13 174.689 0.3 . 1 . . . . . 107 ILE C . 19803 1 474 . 1 1 82 82 ILE CA C 13 63.498 0.3 . 1 . . . . . 107 ILE CA . 19803 1 475 . 1 1 82 82 ILE CB C 13 36.812 0.3 . 1 . . . . . 107 ILE CB . 19803 1 476 . 1 1 82 82 ILE N N 15 118.396 0.3 . 1 . . . . . 107 ILE N . 19803 1 477 . 1 1 83 83 TYR H H 1 7.480 0.020 . 1 . . . . . 108 TYR H . 19803 1 478 . 1 1 83 83 TYR HA H 1 4.381 0.020 . 1 . . . . . 108 TYR HA . 19803 1 479 . 1 1 83 83 TYR C C 13 176.560 0.3 . 1 . . . . . 108 TYR C . 19803 1 480 . 1 1 83 83 TYR CA C 13 56.966 0.3 . 1 . . . . . 108 TYR CA . 19803 1 481 . 1 1 83 83 TYR CB C 13 37.040 0.3 . 1 . . . . . 108 TYR CB . 19803 1 482 . 1 1 83 83 TYR N N 15 120.053 0.3 . 1 . . . . . 108 TYR N . 19803 1 483 . 1 1 84 84 GLY H H 1 8.315 0.020 . 1 . . . . . 109 GLY H . 19803 1 484 . 1 1 84 84 GLY HA2 H 1 4.200 0.020 . 1 . . . . . 109 GLY HA2 . 19803 1 485 . 1 1 84 84 GLY HA3 H 1 4.200 0.020 . 1 . . . . . 109 GLY HA3 . 19803 1 486 . 1 1 84 84 GLY C C 13 173.946 0.3 . 1 . . . . . 109 GLY C . 19803 1 487 . 1 1 84 84 GLY CA C 13 45.077 0.3 . 1 . . . . . 109 GLY CA . 19803 1 488 . 1 1 84 84 GLY N N 15 109.937 0.3 . 1 . . . . . 109 GLY N . 19803 1 489 . 1 1 85 85 LYS H H 1 8.478 0.020 . 1 . . . . . 110 LYS H . 19803 1 490 . 1 1 85 85 LYS HA H 1 4.186 0.020 . 1 . . . . . 110 LYS HA . 19803 1 491 . 1 1 85 85 LYS C C 13 176.244 0.3 . 1 . . . . . 110 LYS C . 19803 1 492 . 1 1 85 85 LYS CA C 13 55.058 0.3 . 1 . . . . . 110 LYS CA . 19803 1 493 . 1 1 85 85 LYS CB C 13 31.272 0.3 . 1 . . . . . 110 LYS CB . 19803 1 494 . 1 1 85 85 LYS N N 15 124.026 0.3 . 1 . . . . . 110 LYS N . 19803 1 495 . 1 1 86 86 ASP H H 1 8.209 0.020 . 1 . . . . . 111 ASP H . 19803 1 496 . 1 1 86 86 ASP HA H 1 4.292 0.020 . 1 . . . . . 111 ASP HA . 19803 1 497 . 1 1 86 86 ASP C C 13 176.189 0.3 . 1 . . . . . 111 ASP C . 19803 1 498 . 1 1 86 86 ASP CA C 13 54.801 0.3 . 1 . . . . . 111 ASP CA . 19803 1 499 . 1 1 86 86 ASP CB C 13 41.365 0.3 . 1 . . . . . 111 ASP CB . 19803 1 500 . 1 1 86 86 ASP N N 15 122.792 0.3 . 1 . . . . . 111 ASP N . 19803 1 501 . 1 1 87 87 ALA H H 1 8.724 0.020 . 1 . . . . . 112 ALA H . 19803 1 502 . 1 1 87 87 ALA HA H 1 4.571 0.020 . 1 . . . . . 112 ALA HA . 19803 1 503 . 1 1 87 87 ALA C C 13 175.418 0.3 . 1 . . . . . 112 ALA C . 19803 1 504 . 1 1 87 87 ALA CA C 13 50.581 0.3 . 1 . . . . . 112 ALA CA . 19803 1 505 . 1 1 87 87 ALA CB C 13 20.193 0.3 . 1 . . . . . 112 ALA CB . 19803 1 506 . 1 1 87 87 ALA N N 15 125.008 0.3 . 1 . . . . . 112 ALA N . 19803 1 507 . 1 1 88 88 LEU H H 1 8.505 0.020 . 1 . . . . . 113 LEU H . 19803 1 508 . 1 1 88 88 LEU HA H 1 4.349 0.020 . 1 . . . . . 113 LEU HA . 19803 1 509 . 1 1 88 88 LEU C C 13 179.780 0.3 . 1 . . . . . 113 LEU C . 19803 1 510 . 1 1 88 88 LEU CA C 13 52.793 0.3 . 1 . . . . . 113 LEU CA . 19803 1 511 . 1 1 88 88 LEU CB C 13 41.137 0.3 . 1 . . . . . 113 LEU CB . 19803 1 512 . 1 1 88 88 LEU N N 15 122.054 0.3 . 1 . . . . . 113 LEU N . 19803 1 513 . 1 1 89 89 LEU H H 1 8.809 0.020 . 1 . . . . . 114 LEU H . 19803 1 514 . 1 1 89 89 LEU HA H 1 4.117 0.020 . 1 . . . . . 114 LEU HA . 19803 1 515 . 1 1 89 89 LEU C C 13 177.551 0.3 . 1 . . . . . 114 LEU C . 19803 1 516 . 1 1 89 89 LEU CA C 13 57.957 0.3 . 1 . . . . . 114 LEU CA . 19803 1 517 . 1 1 89 89 LEU CB C 13 40.910 0.3 . 1 . . . . . 114 LEU CB . 19803 1 518 . 1 1 89 89 LEU N N 15 124.259 0.3 . 1 . . . . . 114 LEU N . 19803 1 519 . 1 1 90 90 HIS H H 1 8.037 0.020 . 1 . . . . . 115 HIS H . 19803 1 520 . 1 1 90 90 HIS C C 13 175.982 0.3 . 1 . . . . . 115 HIS C . 19803 1 521 . 1 1 90 90 HIS CA C 13 57.773 0.3 . 1 . . . . . 115 HIS CA . 19803 1 522 . 1 1 90 90 HIS CB C 13 28.616 0.3 . 1 . . . . . 115 HIS CB . 19803 1 523 . 1 1 90 90 HIS N N 15 112.314 0.3 . 1 . . . . . 115 HIS N . 19803 1 524 . 1 1 91 91 GLU H H 1 8.212 0.020 . 1 . . . . . 116 GLU H . 19803 1 525 . 1 1 91 91 GLU HA H 1 4.186 0.020 . 1 . . . . . 116 GLU HA . 19803 1 526 . 1 1 91 91 GLU HB2 H 1 2.109 0.020 . 1 . . . . . 116 GLU HB2 . 19803 1 527 . 1 1 91 91 GLU HB3 H 1 2.109 0.020 . 1 . . . . . 116 GLU HB3 . 19803 1 528 . 1 1 91 91 GLU HG2 H 1 1.586 0.020 . 1 . . . . . 116 GLU HG2 . 19803 1 529 . 1 1 91 91 GLU HG3 H 1 1.586 0.020 . 1 . . . . . 116 GLU HG3 . 19803 1 530 . 1 1 91 91 GLU CA C 13 61.076 0.3 . 1 . . . . . 116 GLU CA . 19803 1 531 . 1 1 91 91 GLU N N 15 120.342 0.3 . 1 . . . . . 116 GLU N . 19803 1 532 . 1 1 92 92 HIS H H 1 6.804 0.020 . 1 . . . . . 117 HIS H . 19803 1 533 . 1 1 92 92 HIS CA C 13 54.214 0.3 . 1 . . . . . 117 HIS CA . 19803 1 534 . 1 1 92 92 HIS CB C 13 33.094 0.3 . 1 . . . . . 117 HIS CB . 19803 1 535 . 1 1 92 92 HIS N N 15 112.804 0.3 . 1 . . . . . 117 HIS N . 19803 1 536 . 1 1 93 93 TYR H H 1 6.744 0.020 . 1 . . . . . 118 TYR H . 19803 1 537 . 1 1 93 93 TYR CA C 13 55.498 0.3 . 1 . . . . . 118 TYR CA . 19803 1 538 . 1 1 93 93 TYR N N 15 112.201 0.3 . 1 . . . . . 118 TYR N . 19803 1 539 . 1 1 94 94 VAL H H 1 6.484 0.020 . 1 . . . . . 119 VAL H . 19803 1 540 . 1 1 94 94 VAL C C 13 171.689 0.3 . 1 . . . . . 119 VAL C . 19803 1 541 . 1 1 94 94 VAL CA C 13 59.388 0.3 . 1 . . . . . 119 VAL CA . 19803 1 542 . 1 1 94 94 VAL CB C 13 31.045 0.3 . 1 . . . . . 119 VAL CB . 19803 1 543 . 1 1 94 94 VAL N N 15 118.978 0.3 . 1 . . . . . 119 VAL N . 19803 1 544 . 1 1 95 95 TYR H H 1 8.514 0.020 . 1 . . . . . 120 TYR H . 19803 1 545 . 1 1 95 95 TYR CA C 13 58.361 0.3 . 1 . . . . . 120 TYR CA . 19803 1 546 . 1 1 95 95 TYR CB C 13 41.972 0.3 . 1 . . . . . 120 TYR CB . 19803 1 547 . 1 1 95 95 TYR N N 15 124.588 0.3 . 1 . . . . . 120 TYR N . 19803 1 548 . 1 1 96 96 ALA H H 1 8.075 0.020 . 1 . . . . . 121 ALA H . 19803 1 549 . 1 1 96 96 ALA HA H 1 4.364 0.020 . 1 . . . . . 121 ALA HA . 19803 1 550 . 1 1 96 96 ALA HB1 H 1 1.077 0.020 . 1 . . . . . 121 ALA HB . 19803 1 551 . 1 1 96 96 ALA HB2 H 1 1.077 0.020 . 1 . . . . . 121 ALA HB . 19803 1 552 . 1 1 96 96 ALA HB3 H 1 1.077 0.020 . 1 . . . . . 121 ALA HB . 19803 1 553 . 1 1 96 96 ALA C C 13 174.606 0.3 . 1 . . . . . 121 ALA C . 19803 1 554 . 1 1 96 96 ALA CA C 13 49.444 0.3 . 1 . . . . . 121 ALA CA . 19803 1 555 . 1 1 96 96 ALA CB C 13 19.510 0.3 . 1 . . . . . 121 ALA CB . 19803 1 556 . 1 1 96 96 ALA N N 15 131.066 0.3 . 1 . . . . . 121 ALA N . 19803 1 557 . 1 1 97 97 LYS H H 1 6.973 0.020 . 1 . . . . . 122 LYS H . 19803 1 558 . 1 1 97 97 LYS C C 13 176.148 0.3 . 1 . . . . . 122 LYS C . 19803 1 559 . 1 1 97 97 LYS CA C 13 55.776 0.3 . 1 . . . . . 122 LYS CA . 19803 1 560 . 1 1 97 97 LYS N N 15 112.793 0.3 . 1 . . . . . 122 LYS N . 19803 1 561 . 1 1 98 98 GLU H H 1 8.510 0.020 . 1 . . . . . 123 GLU H . 19803 1 562 . 1 1 98 98 GLU HA H 1 3.988 0.020 . 1 . . . . . 123 GLU HA . 19803 1 563 . 1 1 98 98 GLU C C 13 175.900 0.3 . 1 . . . . . 123 GLU C . 19803 1 564 . 1 1 98 98 GLU CA C 13 55.572 0.3 . 1 . . . . . 123 GLU CA . 19803 1 565 . 1 1 98 98 GLU CB C 13 30.134 0.3 . 1 . . . . . 123 GLU CB . 19803 1 566 . 1 1 98 98 GLU N N 15 128.154 0.3 . 1 . . . . . 123 GLU N . 19803 1 567 . 1 1 99 99 GLY H H 1 8.381 0.020 . 1 . . . . . 124 GLY H . 19803 1 568 . 1 1 99 99 GLY HA2 H 1 3.576 0.020 . 1 . . . . . 124 GLY HA2 . 19803 1 569 . 1 1 99 99 GLY HA3 H 1 3.576 0.020 . 1 . . . . . 124 GLY HA3 . 19803 1 570 . 1 1 99 99 GLY C C 13 173.120 0.3 . 1 . . . . . 124 GLY C . 19803 1 571 . 1 1 99 99 GLY CA C 13 44.097 0.3 . 1 . . . . . 124 GLY CA . 19803 1 572 . 1 1 99 99 GLY N N 15 110.325 0.3 . 1 . . . . . 124 GLY N . 19803 1 573 . 1 1 100 100 TYR H H 1 8.092 0.020 . 1 . . . . . 125 TYR H . 19803 1 574 . 1 1 100 100 TYR HA H 1 4.076 0.020 . 1 . . . . . 125 TYR HA . 19803 1 575 . 1 1 100 100 TYR C C 13 176.313 0.3 . 1 . . . . . 125 TYR C . 19803 1 576 . 1 1 100 100 TYR CA C 13 58.743 0.3 . 1 . . . . . 125 TYR CA . 19803 1 577 . 1 1 100 100 TYR CB C 13 37.267 0.3 . 1 . . . . . 125 TYR CB . 19803 1 578 . 1 1 100 100 TYR N N 15 120.527 0.3 . 1 . . . . . 125 TYR N . 19803 1 579 . 1 1 101 101 GLU H H 1 8.001 0.020 . 1 . . . . . 126 GLU H . 19803 1 580 . 1 1 101 101 GLU HA H 1 4.035 0.020 . 1 . . . . . 126 GLU HA . 19803 1 581 . 1 1 101 101 GLU C C 13 173.299 0.3 . 1 . . . . . 126 GLU C . 19803 1 582 . 1 1 101 101 GLU CA C 13 53.810 0.3 . 1 . . . . . 126 GLU CA . 19803 1 583 . 1 1 101 101 GLU CB C 13 28.313 0.3 . 1 . . . . . 126 GLU CB . 19803 1 584 . 1 1 101 101 GLU N N 15 120.152 0.3 . 1 . . . . . 126 GLU N . 19803 1 585 . 1 1 102 102 PRO CA C 13 62.940 0.3 . 1 . . . . . 127 PRO CA . 19803 1 586 . 1 1 102 102 PRO CB C 13 31.652 0.3 . 1 . . . . . 127 PRO CB . 19803 1 587 . 1 1 103 103 VAL H H 1 9.026 0.020 . 1 . . . . . 128 VAL H . 19803 1 588 . 1 1 103 103 VAL HA H 1 4.305 0.020 . 1 . . . . . 128 VAL HA . 19803 1 589 . 1 1 103 103 VAL C C 13 178.716 0.3 . 1 . . . . . 128 VAL C . 19803 1 590 . 1 1 103 103 VAL CA C 13 62.561 0.3 . 1 . . . . . 128 VAL CA . 19803 1 591 . 1 1 103 103 VAL N N 15 122.691 0.3 . 1 . . . . . 128 VAL N . 19803 1 592 . 1 1 104 104 LEU H H 1 8.223 0.020 . 1 . . . . . 129 LEU H . 19803 1 593 . 1 1 104 104 LEU CA C 13 55.100 0.3 . 1 . . . . . 129 LEU CA . 19803 1 594 . 1 1 104 104 LEU CB C 13 41.137 0.3 . 1 . . . . . 129 LEU CB . 19803 1 595 . 1 1 104 104 LEU N N 15 124.305 0.3 . 1 . . . . . 129 LEU N . 19803 1 596 . 1 1 105 105 VAL H H 1 9.068 0.020 . 1 . . . . . 130 VAL H . 19803 1 597 . 1 1 105 105 VAL HA H 1 4.319 0.020 . 1 . . . . . 130 VAL HA . 19803 1 598 . 1 1 105 105 VAL C C 13 174.317 0.3 . 1 . . . . . 130 VAL C . 19803 1 599 . 1 1 105 105 VAL CA C 13 61.039 0.3 . 1 . . . . . 130 VAL CA . 19803 1 600 . 1 1 105 105 VAL CB C 13 32.259 0.3 . 1 . . . . . 130 VAL CB . 19803 1 601 . 1 1 105 105 VAL N N 15 128.066 0.3 . 1 . . . . . 130 VAL N . 19803 1 602 . 1 1 106 106 ILE H H 1 9.089 0.020 . 1 . . . . . 131 ILE H . 19803 1 603 . 1 1 106 106 ILE HA H 1 4.780 0.020 . 1 . . . . . 131 ILE HA . 19803 1 604 . 1 1 106 106 ILE C C 13 174.785 0.3 . 1 . . . . . 131 ILE C . 19803 1 605 . 1 1 106 106 ILE CA C 13 58.984 0.3 . 1 . . . . . 131 ILE CA . 19803 1 606 . 1 1 106 106 ILE CB C 13 40.606 0.3 . 1 . . . . . 131 ILE CB . 19803 1 607 . 1 1 106 106 ILE N N 15 125.710 0.3 . 1 . . . . . 131 ILE N . 19803 1 608 . 1 1 107 107 GLN H H 1 8.998 0.020 . 1 . . . . . 132 GLN H . 19803 1 609 . 1 1 107 107 GLN C C 13 176.891 0.3 . 1 . . . . . 132 GLN C . 19803 1 610 . 1 1 107 107 GLN CA C 13 54.874 0.3 . 1 . . . . . 132 GLN CA . 19803 1 611 . 1 1 107 107 GLN CB C 13 31.576 0.3 . 1 . . . . . 132 GLN CB . 19803 1 612 . 1 1 107 107 GLN N N 15 127.585 0.3 . 1 . . . . . 132 GLN N . 19803 1 613 . 1 1 108 108 SER H H 1 9.553 0.020 . 1 . . . . . 133 SER H . 19803 1 614 . 1 1 108 108 SER HA H 1 4.599 0.020 . 1 . . . . . 133 SER HA . 19803 1 615 . 1 1 108 108 SER CA C 13 58.214 0.3 . 1 . . . . . 133 SER CA . 19803 1 616 . 1 1 108 108 SER CB C 13 62.916 0.3 . 1 . . . . . 133 SER CB . 19803 1 617 . 1 1 108 108 SER N N 15 126.164 0.3 . 1 . . . . . 133 SER N . 19803 1 618 . 1 1 109 109 SER H H 1 7.066 0.020 . 1 . . . . . 134 SER H . 19803 1 619 . 1 1 109 109 SER HA H 1 4.530 0.020 . 1 . . . . . 134 SER HA . 19803 1 620 . 1 1 109 109 SER CA C 13 65.117 0.3 . 1 . . . . . 134 SER CA . 19803 1 621 . 1 1 109 109 SER CB C 13 67.545 0.3 . 1 . . . . . 134 SER CB . 19803 1 622 . 1 1 109 109 SER N N 15 113.944 0.3 . 1 . . . . . 134 SER N . 19803 1 623 . 1 1 110 110 GLU H H 1 7.843 0.020 . 1 . . . . . 135 GLU H . 19803 1 624 . 1 1 110 110 GLU HA H 1 4.048 0.020 . 1 . . . . . 135 GLU HA . 19803 1 625 . 1 1 110 110 GLU CA C 13 57.443 0.3 . 1 . . . . . 135 GLU CA . 19803 1 626 . 1 1 110 110 GLU CB C 13 32.335 0.3 . 1 . . . . . 135 GLU CB . 19803 1 627 . 1 1 110 110 GLU N N 15 122.716 0.3 . 1 . . . . . 135 GLU N . 19803 1 628 . 1 1 111 111 ASP H H 1 6.970 0.020 . 1 . . . . . 136 ASP H . 19803 1 629 . 1 1 111 111 ASP CA C 13 55.252 0.3 . 1 . . . . . 136 ASP CA . 19803 1 630 . 1 1 111 111 ASP CB C 13 37.723 0.3 . 1 . . . . . 136 ASP CB . 19803 1 631 . 1 1 111 111 ASP N N 15 114.018 0.3 . 1 . . . . . 136 ASP N . 19803 1 632 . 1 1 112 112 TYR H H 1 7.127 0.020 . 1 . . . . . 137 TYR H . 19803 1 633 . 1 1 112 112 TYR CA C 13 56.846 0.3 . 1 . . . . . 137 TYR CA . 19803 1 634 . 1 1 112 112 TYR CB C 13 37.191 0.3 . 1 . . . . . 137 TYR CB . 19803 1 635 . 1 1 112 112 TYR N N 15 114.701 0.3 . 1 . . . . . 137 TYR N . 19803 1 636 . 1 1 113 113 VAL H H 1 7.308 0.020 . 1 . . . . . 138 VAL H . 19803 1 637 . 1 1 113 113 VAL CA C 13 65.782 0.3 . 1 . . . . . 138 VAL CA . 19803 1 638 . 1 1 113 113 VAL CB C 13 33.777 0.3 . 1 . . . . . 138 VAL CB . 19803 1 639 . 1 1 113 113 VAL N N 15 122.648 0.3 . 1 . . . . . 138 VAL N . 19803 1 640 . 1 1 114 114 GLU H H 1 7.749 0.020 . 1 . . . . . 139 GLU H . 19803 1 641 . 1 1 114 114 GLU CA C 13 57.053 0.3 . 1 . . . . . 139 GLU CA . 19803 1 642 . 1 1 114 114 GLU CB C 13 27.250 0.3 . 1 . . . . . 139 GLU CB . 19803 1 643 . 1 1 114 114 GLU N N 15 114.486 0.3 . 1 . . . . . 139 GLU N . 19803 1 644 . 1 1 115 115 ASN H H 1 7.913 0.020 . 1 . . . . . 140 ASN H . 19803 1 645 . 1 1 115 115 ASN HA H 1 4.035 0.020 . 1 . . . . . 140 ASN HA . 19803 1 646 . 1 1 115 115 ASN CA C 13 51.535 0.3 . 1 . . . . . 140 ASN CA . 19803 1 647 . 1 1 115 115 ASN CB C 13 36.660 0.3 . 1 . . . . . 140 ASN CB . 19803 1 648 . 1 1 115 115 ASN N N 15 119.177 0.3 . 1 . . . . . 140 ASN N . 19803 1 649 . 1 1 116 116 THR H H 1 8.055 0.020 . 1 . . . . . 141 THR H . 19803 1 650 . 1 1 116 116 THR HA H 1 4.255 0.020 . 1 . . . . . 141 THR HA . 19803 1 651 . 1 1 116 116 THR CA C 13 64.672 0.3 . 1 . . . . . 141 THR CA . 19803 1 652 . 1 1 116 116 THR CB C 13 68.228 0.3 . 1 . . . . . 141 THR CB . 19803 1 653 . 1 1 116 116 THR N N 15 116.810 0.3 . 1 . . . . . 141 THR N . 19803 1 654 . 1 1 117 117 GLU H H 1 8.131 0.020 . 1 . . . . . 142 GLU H . 19803 1 655 . 1 1 117 117 GLU HA H 1 4.144 0.020 . 1 . . . . . 142 GLU HA . 19803 1 656 . 1 1 117 117 GLU C C 13 179.092 0.3 . 1 . . . . . 142 GLU C . 19803 1 657 . 1 1 117 117 GLU CA C 13 58.728 0.3 . 1 . . . . . 142 GLU CA . 19803 1 658 . 1 1 117 117 GLU CB C 13 28.692 0.3 . 1 . . . . . 142 GLU CB . 19803 1 659 . 1 1 117 117 GLU N N 15 122.112 0.3 . 1 . . . . . 142 GLU N . 19803 1 660 . 1 1 118 118 LYS H H 1 7.465 0.020 . 1 . . . . . 143 LYS H . 19803 1 661 . 1 1 118 118 LYS HA H 1 4.310 0.020 . 1 . . . . . 143 LYS HA . 19803 1 662 . 1 1 118 118 LYS C C 13 178.858 0.3 . 1 . . . . . 143 LYS C . 19803 1 663 . 1 1 118 118 LYS CA C 13 58.434 0.3 . 1 . . . . . 143 LYS CA . 19803 1 664 . 1 1 118 118 LYS CB C 13 31.348 0.3 . 1 . . . . . 143 LYS CB . 19803 1 665 . 1 1 118 118 LYS N N 15 120.960 0.3 . 1 . . . . . 143 LYS N . 19803 1 666 . 1 1 119 119 ALA H H 1 7.588 0.020 . 1 . . . . . 144 ALA H . 19803 1 667 . 1 1 119 119 ALA HA H 1 4.090 0.020 . 1 . . . . . 144 ALA HA . 19803 1 668 . 1 1 119 119 ALA C C 13 177.634 0.3 . 1 . . . . . 144 ALA C . 19803 1 669 . 1 1 119 119 ALA CA C 13 55.205 0.3 . 1 . . . . . 144 ALA CA . 19803 1 670 . 1 1 119 119 ALA CB C 13 17.158 0.3 . 1 . . . . . 144 ALA CB . 19803 1 671 . 1 1 119 119 ALA N N 15 121.008 0.3 . 1 . . . . . 144 ALA N . 19803 1 672 . 1 1 120 120 LEU H H 1 8.163 0.020 . 1 . . . . . 145 LEU H . 19803 1 673 . 1 1 120 120 LEU HA H 1 4.241 0.020 . 1 . . . . . 145 LEU HA . 19803 1 674 . 1 1 120 120 LEU C C 13 178.624 0.3 . 1 . . . . . 145 LEU C . 19803 1 675 . 1 1 120 120 LEU CA C 13 57.959 0.3 . 1 . . . . . 145 LEU CA . 19803 1 676 . 1 1 120 120 LEU CB C 13 41.669 0.3 . 1 . . . . . 145 LEU CB . 19803 1 677 . 1 1 120 120 LEU N N 15 115.856 0.3 . 1 . . . . . 145 LEU N . 19803 1 678 . 1 1 121 121 ASN H H 1 7.448 0.020 . 1 . . . . . 146 ASN H . 19803 1 679 . 1 1 121 121 ASN HA H 1 4.433 0.020 . 1 . . . . . 146 ASN HA . 19803 1 680 . 1 1 121 121 ASN C C 13 177.730 0.3 . 1 . . . . . 146 ASN C . 19803 1 681 . 1 1 121 121 ASN CA C 13 57.370 0.3 . 1 . . . . . 146 ASN CA . 19803 1 682 . 1 1 121 121 ASN CB C 13 40.151 0.3 . 1 . . . . . 146 ASN CB . 19803 1 683 . 1 1 121 121 ASN N N 15 115.883 0.3 . 1 . . . . . 146 ASN N . 19803 1 684 . 1 1 122 122 VAL H H 1 8.048 0.020 . 1 . . . . . 147 VAL H . 19803 1 685 . 1 1 122 122 VAL HA H 1 4.255 0.020 . 1 . . . . . 147 VAL HA . 19803 1 686 . 1 1 122 122 VAL C C 13 178.005 0.3 . 1 . . . . . 147 VAL C . 19803 1 687 . 1 1 122 122 VAL CA C 13 66.911 0.3 . 1 . . . . . 147 VAL CA . 19803 1 688 . 1 1 122 122 VAL CB C 13 29.299 0.3 . 1 . . . . . 147 VAL CB . 19803 1 689 . 1 1 122 122 VAL N N 15 121.281 0.3 . 1 . . . . . 147 VAL N . 19803 1 690 . 1 1 123 123 TYR H H 1 8.347 0.020 . 1 . . . . . 148 TYR H . 19803 1 691 . 1 1 123 123 TYR HA H 1 4.777 0.020 . 1 . . . . . 148 TYR HA . 19803 1 692 . 1 1 123 123 TYR C C 13 177.909 0.3 . 1 . . . . . 148 TYR C . 19803 1 693 . 1 1 123 123 TYR CA C 13 58.691 0.3 . 1 . . . . . 148 TYR CA . 19803 1 694 . 1 1 123 123 TYR CB C 13 35.825 0.3 . 1 . . . . . 148 TYR CB . 19803 1 695 . 1 1 123 123 TYR N N 15 118.588 0.3 . 1 . . . . . 148 TYR N . 19803 1 696 . 1 1 124 124 TYR H H 1 7.538 0.020 . 1 . . . . . 149 TYR H . 19803 1 697 . 1 1 124 124 TYR HA H 1 4.131 0.020 . 1 . . . . . 149 TYR HA . 19803 1 698 . 1 1 124 124 TYR C C 13 177.689 0.3 . 1 . . . . . 149 TYR C . 19803 1 699 . 1 1 124 124 TYR CA C 13 61.166 0.3 . 1 . . . . . 149 TYR CA . 19803 1 700 . 1 1 124 124 TYR CB C 13 37.647 0.3 . 1 . . . . . 149 TYR CB . 19803 1 701 . 1 1 124 124 TYR N N 15 119.593 0.3 . 1 . . . . . 149 TYR N . 19803 1 702 . 1 1 125 125 GLU H H 1 7.505 0.020 . 1 . . . . . 150 GLU H . 19803 1 703 . 1 1 125 125 GLU C C 13 177.180 0.3 . 1 . . . . . 150 GLU C . 19803 1 704 . 1 1 125 125 GLU CA C 13 58.177 0.3 . 1 . . . . . 150 GLU CA . 19803 1 705 . 1 1 125 125 GLU CB C 13 31.283 0.3 . 1 . . . . . 150 GLU CB . 19803 1 706 . 1 1 125 125 GLU N N 15 115.981 0.3 . 1 . . . . . 150 GLU N . 19803 1 707 . 1 1 126 126 ILE H H 1 7.460 0.020 . 1 . . . . . 151 ILE H . 19803 1 708 . 1 1 126 126 ILE C C 13 177.262 0.3 . 1 . . . . . 151 ILE C . 19803 1 709 . 1 1 126 126 ILE CA C 13 64.055 0.3 . 1 . . . . . 151 ILE CA . 19803 1 710 . 1 1 126 126 ILE CB C 13 39.164 0.3 . 1 . . . . . 151 ILE CB . 19803 1 711 . 1 1 126 126 ILE N N 15 113.313 0.3 . 1 . . . . . 151 ILE N . 19803 1 712 . 1 1 127 127 GLY H H 1 8.956 0.020 . 1 . . . . . 152 GLY H . 19803 1 713 . 1 1 127 127 GLY C C 13 175.435 0.3 . 1 . . . . . 152 GLY C . 19803 1 714 . 1 1 127 127 GLY CA C 13 47.242 0.3 . 1 . . . . . 152 GLY CA . 19803 1 715 . 1 1 127 127 GLY N N 15 110.466 0.3 . 1 . . . . . 152 GLY N . 19803 1 716 . 1 1 128 128 LYS H H 1 8.015 0.020 . 1 . . . . . 153 LYS H . 19803 1 717 . 1 1 128 128 LYS HA H 1 4.172 0.020 . 1 . . . . . 153 LYS HA . 19803 1 718 . 1 1 128 128 LYS C C 13 178.624 0.3 . 1 . . . . . 153 LYS C . 19803 1 719 . 1 1 128 128 LYS CA C 13 59.572 0.3 . 1 . . . . . 153 LYS CA . 19803 1 720 . 1 1 128 128 LYS N N 15 123.800 0.3 . 1 . . . . . 153 LYS N . 19803 1 721 . 1 1 129 129 ILE H H 1 7.972 0.020 . 1 . . . . . 154 ILE H . 19803 1 722 . 1 1 129 129 ILE HA H 1 4.131 0.020 . 1 . . . . . 154 ILE HA . 19803 1 723 . 1 1 129 129 ILE CA C 13 61.079 0.3 . 1 . . . . . 154 ILE CA . 19803 1 724 . 1 1 129 129 ILE CB C 13 38.330 0.3 . 1 . . . . . 154 ILE CB . 19803 1 725 . 1 1 129 129 ILE N N 15 121.127 0.3 . 1 . . . . . 154 ILE N . 19803 1 726 . 1 1 130 130 LEU H H 1 8.145 0.020 . 1 . . . . . 155 LEU H . 19803 1 727 . 1 1 130 130 LEU HA H 1 4.351 0.020 . 1 . . . . . 155 LEU HA . 19803 1 728 . 1 1 130 130 LEU C C 13 177.205 0.3 . 1 . . . . . 155 LEU C . 19803 1 729 . 1 1 130 130 LEU CA C 13 54.838 0.3 . 1 . . . . . 155 LEU CA . 19803 1 730 . 1 1 130 130 LEU CB C 13 41.365 0.3 . 1 . . . . . 155 LEU CB . 19803 1 731 . 1 1 130 130 LEU N N 15 123.568 0.3 . 1 . . . . . 155 LEU N . 19803 1 732 . 1 1 131 131 SER H H 1 8.017 0.020 . 1 . . . . . 156 SER H . 19803 1 733 . 1 1 131 131 SER HA H 1 4.158 0.020 . 1 . . . . . 156 SER HA . 19803 1 734 . 1 1 131 131 SER C C 13 175.776 0.3 . 1 . . . . . 156 SER C . 19803 1 735 . 1 1 131 131 SER CA C 13 57.627 0.3 . 1 . . . . . 156 SER CA . 19803 1 736 . 1 1 131 131 SER CB C 13 63.372 0.3 . 1 . . . . . 156 SER CB . 19803 1 737 . 1 1 131 131 SER N N 15 119.214 0.3 . 1 . . . . . 156 SER N . 19803 1 738 . 1 1 132 132 ARG H H 1 8.672 0.020 . 1 . . . . . 157 ARG H . 19803 1 739 . 1 1 132 132 ARG HA H 1 4.319 0.020 . 1 . . . . . 157 ARG HA . 19803 1 740 . 1 1 132 132 ARG C C 13 178.913 0.3 . 1 . . . . . 157 ARG C . 19803 1 741 . 1 1 132 132 ARG CA C 13 58.874 0.3 . 1 . . . . . 157 ARG CA . 19803 1 742 . 1 1 132 132 ARG CB C 13 28.541 0.3 . 1 . . . . . 157 ARG CB . 19803 1 743 . 1 1 132 132 ARG N N 15 121.744 0.3 . 1 . . . . . 157 ARG N . 19803 1 744 . 1 1 133 133 ASP H H 1 8.247 0.020 . 1 . . . . . 158 ASP H . 19803 1 745 . 1 1 133 133 ASP HA H 1 4.048 0.020 . 1 . . . . . 158 ASP HA . 19803 1 746 . 1 1 133 133 ASP C C 13 180.386 0.3 . 1 . . . . . 158 ASP C . 19803 1 747 . 1 1 133 133 ASP CA C 13 56.489 0.3 . 1 . . . . . 158 ASP CA . 19803 1 748 . 1 1 133 133 ASP CB C 13 39.089 0.3 . 1 . . . . . 158 ASP CB . 19803 1 749 . 1 1 133 133 ASP N N 15 119.067 0.3 . 1 . . . . . 158 ASP N . 19803 1 750 . 1 1 134 134 ILE H H 1 7.692 0.020 . 1 . . . . . 159 ILE H . 19803 1 751 . 1 1 134 134 ILE HA H 1 4.255 0.020 . 1 . . . . . 159 ILE HA . 19803 1 752 . 1 1 134 134 ILE CA C 13 64.562 0.3 . 1 . . . . . 159 ILE CA . 19803 1 753 . 1 1 134 134 ILE N N 15 119.151 0.3 . 1 . . . . . 159 ILE N . 19803 1 754 . 1 1 135 135 LEU H H 1 7.861 0.020 . 1 . . . . . 160 LEU H . 19803 1 755 . 1 1 135 135 LEU HA H 1 4.337 0.020 . 1 . . . . . 160 LEU HA . 19803 1 756 . 1 1 135 135 LEU CA C 13 59.578 0.3 . 1 . . . . . 160 LEU CA . 19803 1 757 . 1 1 135 135 LEU CB C 13 41.365 0.3 . 1 . . . . . 160 LEU CB . 19803 1 758 . 1 1 135 135 LEU N N 15 114.719 0.3 . 1 . . . . . 160 LEU N . 19803 1 759 . 1 1 136 136 SER H H 1 8.190 0.020 . 1 . . . . . 161 SER H . 19803 1 760 . 1 1 136 136 SER HA H 1 4.200 0.020 . 1 . . . . . 161 SER HA . 19803 1 761 . 1 1 136 136 SER C C 13 176.684 0.3 . 1 . . . . . 161 SER C . 19803 1 762 . 1 1 136 136 SER CA C 13 57.884 0.3 . 1 . . . . . 161 SER CA . 19803 1 763 . 1 1 136 136 SER CB C 13 62.765 0.3 . 1 . . . . . 161 SER CB . 19803 1 764 . 1 1 136 136 SER N N 15 117.000 0.3 . 1 . . . . . 161 SER N . 19803 1 765 . 1 1 137 137 LYS H H 1 7.773 0.020 . 1 . . . . . 162 LYS H . 19803 1 766 . 1 1 137 137 LYS HA H 1 3.870 0.020 . 1 . . . . . 162 LYS HA . 19803 1 767 . 1 1 137 137 LYS CA C 13 56.618 0.3 . 1 . . . . . 162 LYS CA . 19803 1 768 . 1 1 137 137 LYS CB C 13 37.267 0.3 . 1 . . . . . 162 LYS CB . 19803 1 769 . 1 1 137 137 LYS N N 15 115.901 0.3 . 1 . . . . . 162 LYS N . 19803 1 770 . 1 1 138 138 ILE H H 1 6.988 0.020 . 1 . . . . . 163 ILE H . 19803 1 771 . 1 1 138 138 ILE HA H 1 4.131 0.020 . 1 . . . . . 163 ILE HA . 19803 1 772 . 1 1 138 138 ILE CA C 13 69.163 0.3 . 1 . . . . . 163 ILE CA . 19803 1 773 . 1 1 138 138 ILE CB C 13 34.080 0.3 . 1 . . . . . 163 ILE CB . 19803 1 774 . 1 1 138 138 ILE N N 15 114.599 0.3 . 1 . . . . . 163 ILE N . 19803 1 775 . 1 1 139 139 ASN H H 1 9.074 0.020 . 1 . . . . . 164 ASN H . 19803 1 776 . 1 1 139 139 ASN HA H 1 4.364 0.020 . 1 . . . . . 164 ASN HA . 19803 1 777 . 1 1 139 139 ASN C C 13 179.092 0.3 . 1 . . . . . 164 ASN C . 19803 1 778 . 1 1 139 139 ASN CA C 13 56.893 0.3 . 1 . . . . . 164 ASN CA . 19803 1 779 . 1 1 139 139 ASN CB C 13 39.620 0.3 . 1 . . . . . 164 ASN CB . 19803 1 780 . 1 1 139 139 ASN N N 15 119.734 0.3 . 1 . . . . . 164 ASN N . 19803 1 781 . 1 1 142 142 TYR H H 1 8.437 0.020 . 1 . . . . . 167 TYR H . 19803 1 782 . 1 1 142 142 TYR HA H 1 4.007 0.020 . 1 . . . . . 167 TYR HA . 19803 1 783 . 1 1 142 142 TYR CA C 13 52.783 0.3 . 1 . . . . . 167 TYR CA . 19803 1 784 . 1 1 142 142 TYR CB C 13 38.026 0.3 . 1 . . . . . 167 TYR CB . 19803 1 785 . 1 1 142 142 TYR N N 15 120.843 0.3 . 1 . . . . . 167 TYR N . 19803 1 786 . 1 1 143 143 GLN H H 1 7.831 0.020 . 1 . . . . . 168 GLN H . 19803 1 787 . 1 1 143 143 GLN HA H 1 3.760 0.020 . 1 . . . . . 168 GLN HA . 19803 1 788 . 1 1 143 143 GLN C C 13 180.001 0.3 . 1 . . . . . 168 GLN C . 19803 1 789 . 1 1 143 143 GLN CA C 13 58.269 0.3 . 1 . . . . . 168 GLN CA . 19803 1 790 . 1 1 143 143 GLN CB C 13 27.630 0.3 . 1 . . . . . 168 GLN CB . 19803 1 791 . 1 1 143 143 GLN N N 15 119.603 0.3 . 1 . . . . . 168 GLN N . 19803 1 792 . 1 1 144 144 LYS H H 1 8.450 0.020 . 1 . . . . . 169 LYS H . 19803 1 793 . 1 1 144 144 LYS HA H 1 4.096 0.020 . 1 . . . . . 169 LYS HA . 19803 1 794 . 1 1 144 144 LYS CA C 13 55.755 0.3 . 1 . . . . . 169 LYS CA . 19803 1 795 . 1 1 144 144 LYS CB C 13 29.527 0.3 . 1 . . . . . 169 LYS CB . 19803 1 796 . 1 1 144 144 LYS N N 15 126.760 0.3 . 1 . . . . . 169 LYS N . 19803 1 797 . 1 1 145 145 PHE H H 1 8.258 0.020 . 1 . . . . . 170 PHE H . 19803 1 798 . 1 1 145 145 PHE HA H 1 4.021 0.020 . 1 . . . . . 170 PHE HA . 19803 1 799 . 1 1 145 145 PHE CA C 13 54.691 0.3 . 1 . . . . . 170 PHE CA . 19803 1 800 . 1 1 145 145 PHE CB C 13 31.955 0.3 . 1 . . . . . 170 PHE CB . 19803 1 801 . 1 1 145 145 PHE N N 15 123.712 0.3 . 1 . . . . . 170 PHE N . 19803 1 802 . 1 1 146 146 LEU H H 1 8.472 0.020 . 1 . . . . . 171 LEU H . 19803 1 803 . 1 1 146 146 LEU HA H 1 4.096 0.020 . 1 . . . . . 171 LEU HA . 19803 1 804 . 1 1 146 146 LEU HB2 H 1 1.865 0.020 . 1 . . . . . 171 LEU HB2 . 19803 1 805 . 1 1 146 146 LEU HB3 H 1 1.865 0.020 . 1 . . . . . 171 LEU HB3 . 19803 1 806 . 1 1 146 146 LEU HG H 1 1.493 0.020 . 1 . . . . . 171 LEU HG . 19803 1 807 . 1 1 146 146 LEU CA C 13 55.404 0.3 . 1 . . . . . 171 LEU CA . 19803 1 808 . 1 1 146 146 LEU N N 15 127.478 0.3 . 1 . . . . . 171 LEU N . 19803 1 809 . 1 1 147 147 ASP H H 1 7.584 0.020 . 1 . . . . . 172 ASP H . 19803 1 810 . 1 1 147 147 ASP HA H 1 4.647 0.020 . 1 . . . . . 172 ASP HA . 19803 1 811 . 1 1 147 147 ASP CA C 13 52.856 0.3 . 1 . . . . . 172 ASP CA . 19803 1 812 . 1 1 147 147 ASP CB C 13 38.937 0.3 . 1 . . . . . 172 ASP CB . 19803 1 813 . 1 1 147 147 ASP N N 15 113.040 0.3 . 1 . . . . . 172 ASP N . 19803 1 814 . 1 1 148 148 VAL H H 1 7.832 0.020 . 1 . . . . . 173 VAL H . 19803 1 815 . 1 1 148 148 VAL C C 13 174.414 0.3 . 1 . . . . . 173 VAL C . 19803 1 816 . 1 1 148 148 VAL CA C 13 58.515 0.3 . 1 . . . . . 173 VAL CA . 19803 1 817 . 1 1 148 148 VAL CB C 13 34.839 0.3 . 1 . . . . . 173 VAL CB . 19803 1 818 . 1 1 148 148 VAL N N 15 110.901 0.3 . 1 . . . . . 173 VAL N . 19803 1 819 . 1 1 149 149 LEU H H 1 7.089 0.020 . 1 . . . . . 174 LEU H . 19803 1 820 . 1 1 149 149 LEU CA C 13 55.131 0.3 . 1 . . . . . 174 LEU CA . 19803 1 821 . 1 1 149 149 LEU N N 15 115.438 0.3 . 1 . . . . . 174 LEU N . 19803 1 822 . 1 1 150 150 ASN H H 1 7.089 0.020 . 1 . . . . . 175 ASN H . 19803 1 823 . 1 1 150 150 ASN CA C 13 56.390 0.3 . 1 . . . . . 175 ASN CA . 19803 1 824 . 1 1 150 150 ASN CB C 13 37.040 0.3 . 1 . . . . . 175 ASN CB . 19803 1 825 . 1 1 150 150 ASN N N 15 115.935 0.3 . 1 . . . . . 175 ASN N . 19803 1 826 . 1 1 151 151 THR H H 1 8.220 0.020 . 1 . . . . . 176 THR H . 19803 1 827 . 1 1 151 151 THR HA H 1 4.158 0.020 . 1 . . . . . 176 THR HA . 19803 1 828 . 1 1 151 151 THR CA C 13 66.397 0.3 . 1 . . . . . 176 THR CA . 19803 1 829 . 1 1 151 151 THR CB C 13 67.621 0.3 . 1 . . . . . 176 THR CB . 19803 1 830 . 1 1 151 151 THR N N 15 119.362 0.3 . 1 . . . . . 176 THR N . 19803 1 831 . 1 1 152 152 ILE H H 1 7.950 0.020 . 1 . . . . . 177 ILE H . 19803 1 832 . 1 1 152 152 ILE HA H 1 3.993 0.020 . 1 . . . . . 177 ILE HA . 19803 1 833 . 1 1 152 152 ILE C C 13 178.446 0.3 . 1 . . . . . 177 ILE C . 19803 1 834 . 1 1 152 152 ILE CA C 13 64.525 0.3 . 1 . . . . . 177 ILE CA . 19803 1 835 . 1 1 152 152 ILE CB C 13 37.040 0.3 . 1 . . . . . 177 ILE CB . 19803 1 836 . 1 1 152 152 ILE N N 15 122.688 0.3 . 1 . . . . . 177 ILE N . 19803 1 837 . 1 1 153 153 LYS H H 1 8.443 0.020 . 1 . . . . . 178 LYS H . 19803 1 838 . 1 1 153 153 LYS HA H 1 4.409 0.020 . 1 . . . . . 178 LYS HA . 19803 1 839 . 1 1 153 153 LYS C C 13 176.629 0.3 . 1 . . . . . 178 LYS C . 19803 1 840 . 1 1 153 153 LYS CA C 13 57.663 0.3 . 1 . . . . . 178 LYS CA . 19803 1 841 . 1 1 153 153 LYS CB C 13 32.335 0.3 . 1 . . . . . 178 LYS CB . 19803 1 842 . 1 1 153 153 LYS N N 15 121.393 0.3 . 1 . . . . . 178 LYS N . 19803 1 843 . 1 1 154 154 ASN H H 1 7.593 0.020 . 1 . . . . . 179 ASN H . 19803 1 844 . 1 1 154 154 ASN C C 13 174.703 0.3 . 1 . . . . . 179 ASN C . 19803 1 845 . 1 1 154 154 ASN CA C 13 52.746 0.3 . 1 . . . . . 179 ASN CA . 19803 1 846 . 1 1 154 154 ASN CB C 13 38.633 0.3 . 1 . . . . . 179 ASN CB . 19803 1 847 . 1 1 154 154 ASN N N 15 113.657 0.3 . 1 . . . . . 179 ASN N . 19803 1 848 . 1 1 155 155 ALA H H 1 7.164 0.020 . 1 . . . . . 180 ALA H . 19803 1 849 . 1 1 155 155 ALA HA H 1 4.388 0.020 . 1 . . . . . 180 ALA HA . 19803 1 850 . 1 1 155 155 ALA C C 13 177.799 0.3 . 1 . . . . . 180 ALA C . 19803 1 851 . 1 1 155 155 ALA CA C 13 52.306 0.3 . 1 . . . . . 180 ALA CA . 19803 1 852 . 1 1 155 155 ALA CB C 13 18.448 0.3 . 1 . . . . . 180 ALA CB . 19803 1 853 . 1 1 155 155 ALA N N 15 125.012 0.3 . 1 . . . . . 180 ALA N . 19803 1 854 . 1 1 156 156 SER H H 1 8.600 0.020 . 1 . . . . . 181 SER H . 19803 1 855 . 1 1 156 156 SER HA H 1 4.241 0.020 . 1 . . . . . 181 SER HA . 19803 1 856 . 1 1 156 156 SER C C 13 177.826 0.3 . 1 . . . . . 181 SER C . 19803 1 857 . 1 1 156 156 SER CA C 13 60.012 0.3 . 1 . . . . . 181 SER CA . 19803 1 858 . 1 1 156 156 SER CB C 13 62.613 0.3 . 1 . . . . . 181 SER CB . 19803 1 859 . 1 1 156 156 SER N N 15 116.158 0.3 . 1 . . . . . 181 SER N . 19803 1 860 . 1 1 157 157 ASP H H 1 7.784 0.020 . 1 . . . . . 182 ASP H . 19803 1 861 . 1 1 157 157 ASP HA H 1 4.704 0.020 . 1 . . . . . 182 ASP HA . 19803 1 862 . 1 1 157 157 ASP C C 13 176.230 0.3 . 1 . . . . . 182 ASP C . 19803 1 863 . 1 1 157 157 ASP CA C 13 52.709 0.3 . 1 . . . . . 182 ASP CA . 19803 1 864 . 1 1 157 157 ASP CB C 13 41.972 0.3 . 1 . . . . . 182 ASP CB . 19803 1 865 . 1 1 157 157 ASP N N 15 119.546 0.3 . 1 . . . . . 182 ASP N . 19803 1 866 . 1 1 158 158 SER H H 1 8.626 0.020 . 1 . . . . . 183 SER H . 19803 1 867 . 1 1 158 158 SER HA H 1 4.480 0.020 . 1 . . . . . 183 SER HA . 19803 1 868 . 1 1 158 158 SER C C 13 175.129 0.3 . 1 . . . . . 183 SER C . 19803 1 869 . 1 1 158 158 SER CA C 13 58.471 0.3 . 1 . . . . . 183 SER CA . 19803 1 870 . 1 1 158 158 SER CB C 13 63.372 0.3 . 1 . . . . . 183 SER CB . 19803 1 871 . 1 1 158 158 SER N N 15 115.856 0.3 . 1 . . . . . 183 SER N . 19803 1 872 . 1 1 159 159 ASP H H 1 8.281 0.020 . 1 . . . . . 184 ASP H . 19803 1 873 . 1 1 159 159 ASP HA H 1 4.557 0.020 . 1 . . . . . 184 ASP HA . 19803 1 874 . 1 1 159 159 ASP C C 13 178.569 0.3 . 1 . . . . . 184 ASP C . 19803 1 875 . 1 1 159 159 ASP CA C 13 57.296 0.3 . 1 . . . . . 184 ASP CA . 19803 1 876 . 1 1 159 159 ASP CB C 13 39.468 0.3 . 1 . . . . . 184 ASP CB . 19803 1 877 . 1 1 159 159 ASP N N 15 122.287 0.3 . 1 . . . . . 184 ASP N . 19803 1 878 . 1 1 160 160 GLY H H 1 8.676 0.020 . 1 . . . . . 185 GLY H . 19803 1 879 . 1 1 160 160 GLY HA2 H 1 3.814 0.020 . 2 . . . . . 185 GLY HA2 . 19803 1 880 . 1 1 160 160 GLY HA3 H 1 3.605 0.020 . 2 . . . . . 185 GLY HA3 . 19803 1 881 . 1 1 160 160 GLY C C 13 175.226 0.3 . 1 . . . . . 185 GLY C . 19803 1 882 . 1 1 160 160 GLY CA C 13 47.425 0.3 . 1 . . . . . 185 GLY CA . 19803 1 883 . 1 1 160 160 GLY N N 15 109.524 0.3 . 1 . . . . . 185 GLY N . 19803 1 884 . 1 1 161 161 GLN H H 1 7.684 0.020 . 1 . . . . . 186 GLN H . 19803 1 885 . 1 1 161 161 GLN HA H 1 4.048 0.020 . 1 . . . . . 186 GLN HA . 19803 1 886 . 1 1 161 161 GLN C C 13 178.349 0.3 . 1 . . . . . 186 GLN C . 19803 1 887 . 1 1 161 161 GLN CA C 13 58.177 0.3 . 1 . . . . . 186 GLN CA . 19803 1 888 . 1 1 161 161 GLN CB C 13 29.152 0.3 . 1 . . . . . 186 GLN CB . 19803 1 889 . 1 1 161 161 GLN N N 15 121.852 0.3 . 1 . . . . . 186 GLN N . 19803 1 890 . 1 1 162 162 ASP H H 1 8.260 0.020 . 1 . . . . . 187 ASP H . 19803 1 891 . 1 1 162 162 ASP HA H 1 4.281 0.020 . 1 . . . . . 187 ASP HA . 19803 1 892 . 1 1 162 162 ASP C C 13 178.473 0.3 . 1 . . . . . 187 ASP C . 19803 1 893 . 1 1 162 162 ASP CA C 13 56.452 0.3 . 1 . . . . . 187 ASP CA . 19803 1 894 . 1 1 162 162 ASP CB C 13 39.110 0.3 . 1 . . . . . 187 ASP CB . 19803 1 895 . 1 1 162 162 ASP N N 15 119.622 0.3 . 1 . . . . . 187 ASP N . 19803 1 896 . 1 1 163 163 LEU H H 1 7.550 0.020 . 1 . . . . . 188 LEU H . 19803 1 897 . 1 1 163 163 LEU HA H 1 4.359 0.020 . 1 . . . . . 188 LEU HA . 19803 1 898 . 1 1 163 163 LEU C C 13 178.143 0.3 . 1 . . . . . 188 LEU C . 19803 1 899 . 1 1 163 163 LEU CA C 13 56.819 0.3 . 1 . . . . . 188 LEU CA . 19803 1 900 . 1 1 163 163 LEU CB C 13 42.048 0.3 . 1 . . . . . 188 LEU CB . 19803 1 901 . 1 1 163 163 LEU N N 15 119.896 0.3 . 1 . . . . . 188 LEU N . 19803 1 902 . 1 1 164 164 LEU H H 1 7.365 0.020 . 1 . . . . . 189 LEU H . 19803 1 903 . 1 1 164 164 LEU HA H 1 3.567 0.020 . 1 . . . . . 189 LEU HA . 19803 1 904 . 1 1 164 164 LEU C C 13 177.125 0.3 . 1 . . . . . 189 LEU C . 19803 1 905 . 1 1 164 164 LEU CA C 13 55.241 0.3 . 1 . . . . . 189 LEU CA . 19803 1 906 . 1 1 164 164 LEU CB C 13 44.097 0.3 . 1 . . . . . 189 LEU CB . 19803 1 907 . 1 1 164 164 LEU N N 15 112.596 0.3 . 1 . . . . . 189 LEU N . 19803 1 908 . 1 1 165 165 PHE H H 1 8.845 0.020 . 1 . . . . . 190 PHE H . 19803 1 909 . 1 1 165 165 PHE HA H 1 4.658 0.020 . 1 . . . . . 190 PHE HA . 19803 1 910 . 1 1 165 165 PHE HB2 H 1 2.857 0.020 . 1 . . . . . 190 PHE HB2 . 19803 1 911 . 1 1 165 165 PHE HB3 H 1 2.857 0.020 . 1 . . . . . 190 PHE HB3 . 19803 1 912 . 1 1 165 165 PHE C C 13 176.973 0.3 . 1 . . . . . 190 PHE C . 19803 1 913 . 1 1 165 165 PHE CA C 13 55.462 0.3 . 1 . . . . . 190 PHE CA . 19803 1 914 . 1 1 165 165 PHE CB C 13 37.191 0.3 . 1 . . . . . 190 PHE CB . 19803 1 915 . 1 1 165 165 PHE N N 15 117.096 0.3 . 1 . . . . . 190 PHE N . 19803 1 916 . 1 1 166 166 THR H H 1 6.358 0.020 . 1 . . . . . 191 THR H . 19803 1 917 . 1 1 166 166 THR HA H 1 4.415 0.020 . 1 . . . . . 191 THR HA . 19803 1 918 . 1 1 166 166 THR C C 13 176.230 0.3 . 1 . . . . . 191 THR C . 19803 1 919 . 1 1 166 166 THR CA C 13 59.608 0.3 . 1 . . . . . 191 THR CA . 19803 1 920 . 1 1 166 166 THR CB C 13 69.746 0.3 . 1 . . . . . 191 THR CB . 19803 1 921 . 1 1 166 166 THR N N 15 109.238 0.3 . 1 . . . . . 191 THR N . 19803 1 922 . 1 1 167 167 ASN H H 1 7.080 0.020 . 1 . . . . . 192 ASN H . 19803 1 923 . 1 1 167 167 ASN CB C 13 38.102 0.3 . 1 . . . . . 192 ASN CB . 19803 1 924 . 1 1 167 167 ASN N N 15 114.732 0.3 . 1 . . . . . 192 ASN N . 19803 1 925 . 1 1 168 168 GLN H H 1 8.746 0.020 . 1 . . . . . 193 GLN H . 19803 1 926 . 1 1 168 168 GLN HA H 1 5.520 0.020 . 1 . . . . . 193 GLN HA . 19803 1 927 . 1 1 168 168 GLN C C 13 178.748 0.3 . 1 . . . . . 193 GLN C . 19803 1 928 . 1 1 168 168 GLN CA C 13 58.581 0.3 . 1 . . . . . 193 GLN CA . 19803 1 929 . 1 1 168 168 GLN CB C 13 27.630 0.3 . 1 . . . . . 193 GLN CB . 19803 1 930 . 1 1 168 168 GLN N N 15 118.011 0.3 . 1 . . . . . 193 GLN N . 19803 1 931 . 1 1 169 169 LEU H H 1 7.128 0.020 . 1 . . . . . 194 LEU H . 19803 1 932 . 1 1 169 169 LEU HA H 1 4.172 0.020 . 1 . . . . . 194 LEU HA . 19803 1 933 . 1 1 169 169 LEU C C 13 178.756 0.3 . 1 . . . . . 194 LEU C . 19803 1 934 . 1 1 169 169 LEU CA C 13 57.377 0.3 . 1 . . . . . 194 LEU CA . 19803 1 935 . 1 1 169 169 LEU CB C 13 39.999 0.3 . 1 . . . . . 194 LEU CB . 19803 1 936 . 1 1 169 169 LEU N N 15 117.569 0.3 . 1 . . . . . 194 LEU N . 19803 1 937 . 1 1 170 170 LYS H H 1 7.672 0.020 . 1 . . . . . 195 LYS H . 19803 1 938 . 1 1 170 170 LYS CA C 13 58.895 0.3 . 1 . . . . . 195 LYS CA . 19803 1 939 . 1 1 170 170 LYS CB C 13 33.245 0.3 . 1 . . . . . 195 LYS CB . 19803 1 940 . 1 1 170 170 LYS N N 15 113.671 0.3 . 1 . . . . . 195 LYS N . 19803 1 941 . 1 1 171 171 GLU H H 1 8.095 0.020 . 1 . . . . . 196 GLU H . 19803 1 942 . 1 1 171 171 GLU CA C 13 54.645 0.3 . 1 . . . . . 196 GLU CA . 19803 1 943 . 1 1 171 171 GLU CB C 13 30.969 0.3 . 1 . . . . . 196 GLU CB . 19803 1 944 . 1 1 171 171 GLU N N 15 124.716 0.3 . 1 . . . . . 196 GLU N . 19803 1 945 . 1 1 172 172 HIS H H 1 6.842 0.020 . 1 . . . . . 197 HIS H . 19803 1 946 . 1 1 172 172 HIS CA C 13 52.976 0.3 . 1 . . . . . 197 HIS CA . 19803 1 947 . 1 1 172 172 HIS CB C 13 34.004 0.3 . 1 . . . . . 197 HIS CB . 19803 1 948 . 1 1 172 172 HIS N N 15 114.434 0.3 . 1 . . . . . 197 HIS N . 19803 1 949 . 1 1 173 173 PRO C C 13 176.092 0.3 . 1 . . . . . 198 PRO C . 19803 1 950 . 1 1 173 173 PRO CA C 13 64.452 0.3 . 1 . . . . . 198 PRO CA . 19803 1 951 . 1 1 173 173 PRO CB C 13 31.197 0.3 . 1 . . . . . 198 PRO CB . 19803 1 952 . 1 1 174 174 THR H H 1 6.266 0.020 . 1 . . . . . 199 THR H . 19803 1 953 . 1 1 174 174 THR C C 13 172.721 0.3 . 1 . . . . . 199 THR C . 19803 1 954 . 1 1 174 174 THR CA C 13 58.801 0.3 . 1 . . . . . 199 THR CA . 19803 1 955 . 1 1 174 174 THR CB C 13 70.809 0.3 . 1 . . . . . 199 THR CB . 19803 1 956 . 1 1 174 174 THR N N 15 110.276 0.3 . 1 . . . . . 199 THR N . 19803 1 957 . 1 1 175 175 ASP H H 1 7.902 0.020 . 1 . . . . . 200 ASP H . 19803 1 958 . 1 1 175 175 ASP HA H 1 4.076 0.020 . 1 . . . . . 200 ASP HA . 19803 1 959 . 1 1 175 175 ASP HB2 H 1 2.433 0.020 . 1 . . . . . 200 ASP HB2 . 19803 1 960 . 1 1 175 175 ASP HB3 H 1 2.433 0.020 . 1 . . . . . 200 ASP HB3 . 19803 1 961 . 1 1 175 175 ASP C C 13 177.221 0.3 . 1 . . . . . 200 ASP C . 19803 1 962 . 1 1 175 175 ASP CA C 13 53.774 0.3 . 1 . . . . . 200 ASP CA . 19803 1 963 . 1 1 175 175 ASP CB C 13 38.785 0.3 . 1 . . . . . 200 ASP CB . 19803 1 964 . 1 1 175 175 ASP N N 15 117.126 0.3 . 1 . . . . . 200 ASP N . 19803 1 965 . 1 1 176 176 PHE H H 1 9.343 0.020 . 1 . . . . . 201 PHE H . 19803 1 966 . 1 1 176 176 PHE C C 13 175.404 0.3 . 1 . . . . . 201 PHE C . 19803 1 967 . 1 1 176 176 PHE CA C 13 56.836 0.3 . 1 . . . . . 201 PHE CA . 19803 1 968 . 1 1 176 176 PHE N N 15 121.341 0.3 . 1 . . . . . 201 PHE N . 19803 1 969 . 1 1 177 177 SER H H 1 8.523 0.020 . 1 . . . . . 202 SER H . 19803 1 970 . 1 1 177 177 SER HA H 1 4.268 0.020 . 1 . . . . . 202 SER HA . 19803 1 971 . 1 1 177 177 SER C C 13 176.478 0.3 . 1 . . . . . 202 SER C . 19803 1 972 . 1 1 177 177 SER CA C 13 59.131 0.3 . 1 . . . . . 202 SER CA . 19803 1 973 . 1 1 177 177 SER CB C 13 65.421 0.3 . 1 . . . . . 202 SER CB . 19803 1 974 . 1 1 177 177 SER N N 15 123.106 0.3 . 1 . . . . . 202 SER N . 19803 1 975 . 1 1 178 178 VAL H H 1 8.845 0.020 . 1 . . . . . 203 VAL H . 19803 1 976 . 1 1 178 178 VAL HA H 1 4.777 0.020 . 1 . . . . . 203 VAL HA . 19803 1 977 . 1 1 178 178 VAL C C 13 178.060 0.3 . 1 . . . . . 203 VAL C . 19803 1 978 . 1 1 178 178 VAL CA C 13 66.494 0.3 . 1 . . . . . 203 VAL CA . 19803 1 979 . 1 1 178 178 VAL CB C 13 30.817 0.3 . 1 . . . . . 203 VAL CB . 19803 1 980 . 1 1 178 178 VAL N N 15 121.147 0.3 . 1 . . . . . 203 VAL N . 19803 1 981 . 1 1 179 179 GLU H H 1 8.543 0.020 . 1 . . . . . 204 GLU H . 19803 1 982 . 1 1 179 179 GLU HA H 1 3.977 0.020 . 1 . . . . . 204 GLU HA . 19803 1 983 . 1 1 179 179 GLU C C 13 178.597 0.3 . 1 . . . . . 204 GLU C . 19803 1 984 . 1 1 179 179 GLU CA C 13 59.608 0.3 . 1 . . . . . 204 GLU CA . 19803 1 985 . 1 1 179 179 GLU CB C 13 27.933 0.3 . 1 . . . . . 204 GLU CB . 19803 1 986 . 1 1 179 179 GLU N N 15 120.526 0.3 . 1 . . . . . 204 GLU N . 19803 1 987 . 1 1 180 180 PHE H H 1 7.962 0.020 . 1 . . . . . 205 PHE H . 19803 1 988 . 1 1 180 180 PHE HA H 1 4.587 0.020 . 1 . . . . . 205 PHE HA . 19803 1 989 . 1 1 180 180 PHE C C 13 178.336 0.3 . 1 . . . . . 205 PHE C . 19803 1 990 . 1 1 180 180 PHE CA C 13 61.111 0.3 . 1 . . . . . 205 PHE CA . 19803 1 991 . 1 1 180 180 PHE CB C 13 38.481 0.3 . 1 . . . . . 205 PHE CB . 19803 1 992 . 1 1 180 180 PHE N N 15 121.512 0.3 . 1 . . . . . 205 PHE N . 19803 1 993 . 1 1 181 181 LEU H H 1 7.949 0.020 . 1 . . . . . 206 LEU H . 19803 1 994 . 1 1 181 181 LEU HA H 1 4.230 0.020 . 1 . . . . . 206 LEU HA . 19803 1 995 . 1 1 181 181 LEU C C 13 178.940 0.3 . 1 . . . . . 206 LEU C . 19803 1 996 . 1 1 181 181 LEU CA C 13 57.406 0.3 . 1 . . . . . 206 LEU CA . 19803 1 997 . 1 1 181 181 LEU CB C 13 39.923 0.3 . 1 . . . . . 206 LEU CB . 19803 1 998 . 1 1 181 181 LEU N N 15 119.639 0.3 . 1 . . . . . 206 LEU N . 19803 1 999 . 1 1 182 182 GLU H H 1 8.012 0.020 . 1 . . . . . 207 GLU H . 19803 1 1000 . 1 1 182 182 GLU HA H 1 4.204 0.020 . 1 . . . . . 207 GLU HA . 19803 1 1001 . 1 1 182 182 GLU C C 13 179.271 0.3 . 1 . . . . . 207 GLU C . 19803 1 1002 . 1 1 182 182 GLU CA C 13 58.496 0.3 . 1 . . . . . 207 GLU CA . 19803 1 1003 . 1 1 182 182 GLU CB C 13 28.768 0.3 . 1 . . . . . 207 GLU CB . 19803 1 1004 . 1 1 182 182 GLU N N 15 118.571 0.3 . 1 . . . . . 207 GLU N . 19803 1 1005 . 1 1 183 183 GLN H H 1 7.664 0.020 . 1 . . . . . 208 GLN H . 19803 1 1006 . 1 1 183 183 GLN HA H 1 3.883 0.020 . 1 . . . . . 208 GLN HA . 19803 1 1007 . 1 1 183 183 GLN C C 13 176.450 0.3 . 1 . . . . . 208 GLN C . 19803 1 1008 . 1 1 183 183 GLN CA C 13 56.604 0.3 . 1 . . . . . 208 GLN CA . 19803 1 1009 . 1 1 183 183 GLN CB C 13 28.238 0.3 . 1 . . . . . 208 GLN CB . 19803 1 1010 . 1 1 183 183 GLN N N 15 116.725 0.3 . 1 . . . . . 208 GLN N . 19803 1 1011 . 1 1 184 184 ASN H H 1 7.348 0.020 . 1 . . . . . 209 ASN H . 19803 1 1012 . 1 1 184 184 ASN HA H 1 4.927 0.020 . 1 . . . . . 209 ASN HA . 19803 1 1013 . 1 1 184 184 ASN C C 13 175.597 0.3 . 1 . . . . . 209 ASN C . 19803 1 1014 . 1 1 184 184 ASN CA C 13 51.865 0.3 . 1 . . . . . 209 ASN CA . 19803 1 1015 . 1 1 184 184 ASN CB C 13 37.799 0.3 . 1 . . . . . 209 ASN CB . 19803 1 1016 . 1 1 184 184 ASN N N 15 118.353 0.3 . 1 . . . . . 209 ASN N . 19803 1 1017 . 1 1 185 185 SER H H 1 7.500 0.020 . 1 . . . . . 210 SER H . 19803 1 1018 . 1 1 185 185 SER HA H 1 4.365 0.020 . 1 . . . . . 210 SER HA . 19803 1 1019 . 1 1 185 185 SER C C 13 176.299 0.3 . 1 . . . . . 210 SER C . 19803 1 1020 . 1 1 185 185 SER CA C 13 61.920 0.3 . 1 . . . . . 210 SER CA . 19803 1 1021 . 1 1 185 185 SER N N 15 117.094 0.3 . 1 . . . . . 210 SER N . 19803 1 1022 . 1 1 186 186 ASN H H 1 8.651 0.020 . 1 . . . . . 211 ASN H . 19803 1 1023 . 1 1 186 186 ASN HA H 1 4.175 0.020 . 1 . . . . . 211 ASN HA . 19803 1 1024 . 1 1 186 186 ASN C C 13 177.372 0.3 . 1 . . . . . 211 ASN C . 19803 1 1025 . 1 1 186 186 ASN CA C 13 56.489 0.3 . 1 . . . . . 211 ASN CA . 19803 1 1026 . 1 1 186 186 ASN CB C 13 37.040 0.3 . 1 . . . . . 211 ASN CB . 19803 1 1027 . 1 1 186 186 ASN N N 15 120.077 0.3 . 1 . . . . . 211 ASN N . 19803 1 1028 . 1 1 187 187 GLU H H 1 7.474 0.020 . 1 . . . . . 212 GLU H . 19803 1 1029 . 1 1 187 187 GLU C C 13 178.913 0.3 . 1 . . . . . 212 GLU C . 19803 1 1030 . 1 1 187 187 GLU CA C 13 58.041 0.3 . 1 . . . . . 212 GLU CA . 19803 1 1031 . 1 1 187 187 GLU N N 15 117.492 0.3 . 1 . . . . . 212 GLU N . 19803 1 1032 . 1 1 188 188 VAL H H 1 6.887 0.020 . 1 . . . . . 213 VAL H . 19803 1 1033 . 1 1 188 188 VAL HA H 1 4.676 0.020 . 1 . . . . . 213 VAL HA . 19803 1 1034 . 1 1 188 188 VAL CA C 13 70.192 0.3 . 1 . . . . . 213 VAL CA . 19803 1 1035 . 1 1 188 188 VAL CB C 13 27.250 0.3 . 1 . . . . . 213 VAL CB . 19803 1 1036 . 1 1 188 188 VAL N N 15 114.394 0.3 . 1 . . . . . 213 VAL N . 19803 1 1037 . 1 1 189 189 GLN H H 1 7.633 0.020 . 1 . . . . . 214 GLN H . 19803 1 1038 . 1 1 189 189 GLN HA H 1 3.966 0.020 . 1 . . . . . 214 GLN HA . 19803 1 1039 . 1 1 189 189 GLN CA C 13 58.363 0.3 . 1 . . . . . 214 GLN CA . 19803 1 1040 . 1 1 189 189 GLN N N 15 112.896 0.3 . 1 . . . . . 214 GLN N . 19803 1 1041 . 1 1 190 190 GLU H H 1 7.552 0.020 . 1 . . . . . 215 GLU H . 19803 1 1042 . 1 1 190 190 GLU CA C 13 59.608 0.3 . 1 . . . . . 215 GLU CA . 19803 1 1043 . 1 1 190 190 GLU CB C 13 28.465 0.3 . 1 . . . . . 215 GLU CB . 19803 1 1044 . 1 1 190 190 GLU N N 15 119.302 0.3 . 1 . . . . . 215 GLU N . 19803 1 1045 . 1 1 191 191 VAL H H 1 7.722 0.020 . 1 . . . . . 216 VAL H . 19803 1 1046 . 1 1 191 191 VAL C C 13 178.094 0.3 . 1 . . . . . 216 VAL C . 19803 1 1047 . 1 1 191 191 VAL CA C 13 66.287 0.3 . 1 . . . . . 216 VAL CA . 19803 1 1048 . 1 1 191 191 VAL CB C 13 30.362 0.3 . 1 . . . . . 216 VAL CB . 19803 1 1049 . 1 1 191 191 VAL N N 15 119.466 0.3 . 1 . . . . . 216 VAL N . 19803 1 1050 . 1 1 192 192 PHE H H 1 8.350 0.020 . 1 . . . . . 217 PHE H . 19803 1 1051 . 1 1 192 192 PHE HA H 1 4.186 0.020 . 1 . . . . . 217 PHE HA . 19803 1 1052 . 1 1 192 192 PHE CA C 13 61.186 0.3 . 1 . . . . . 217 PHE CA . 19803 1 1053 . 1 1 192 192 PHE N N 15 120.187 0.3 . 1 . . . . . 217 PHE N . 19803 1 1054 . 1 1 193 193 ALA H H 1 8.624 0.020 . 1 . . . . . 218 ALA H . 19803 1 1055 . 1 1 193 193 ALA C C 13 179.533 0.3 . 1 . . . . . 218 ALA C . 19803 1 1056 . 1 1 193 193 ALA CA C 13 55.715 0.3 . 1 . . . . . 218 ALA CA . 19803 1 1057 . 1 1 193 193 ALA CB C 13 18.220 0.3 . 1 . . . . . 218 ALA CB . 19803 1 1058 . 1 1 193 193 ALA N N 15 121.221 0.3 . 1 . . . . . 218 ALA N . 19803 1 1059 . 1 1 194 194 LYS H H 1 8.545 0.020 . 1 . . . . . 219 LYS H . 19803 1 1060 . 1 1 194 194 LYS C C 13 177.510 0.3 . 1 . . . . . 219 LYS C . 19803 1 1061 . 1 1 194 194 LYS CA C 13 60.452 0.3 . 1 . . . . . 219 LYS CA . 19803 1 1062 . 1 1 194 194 LYS CB C 13 32.714 0.3 . 1 . . . . . 219 LYS CB . 19803 1 1063 . 1 1 194 194 LYS N N 15 118.896 0.3 . 1 . . . . . 219 LYS N . 19803 1 1064 . 1 1 195 195 ALA H H 1 8.470 0.020 . 1 . . . . . 220 ALA H . 19803 1 1065 . 1 1 195 195 ALA HA H 1 4.337 0.020 . 1 . . . . . 220 ALA HA . 19803 1 1066 . 1 1 195 195 ALA C C 13 177.799 0.3 . 1 . . . . . 220 ALA C . 19803 1 1067 . 1 1 195 195 ALA CA C 13 55.021 0.3 . 1 . . . . . 220 ALA CA . 19803 1 1068 . 1 1 195 195 ALA CB C 13 16.854 0.3 . 1 . . . . . 220 ALA CB . 19803 1 1069 . 1 1 195 195 ALA N N 15 120.556 0.3 . 1 . . . . . 220 ALA N . 19803 1 1070 . 1 1 196 196 PHE H H 1 8.722 0.020 . 1 . . . . . 221 PHE H . 19803 1 1071 . 1 1 196 196 PHE C C 13 175.768 0.3 . 1 . . . . . 221 PHE C . 19803 1 1072 . 1 1 196 196 PHE CA C 13 61.553 0.3 . 1 . . . . . 221 PHE CA . 19803 1 1073 . 1 1 196 196 PHE CB C 13 38.592 0.3 . 1 . . . . . 221 PHE CB . 19803 1 1074 . 1 1 196 196 PHE N N 15 118.740 0.3 . 1 . . . . . 221 PHE N . 19803 1 1075 . 1 1 197 197 ALA H H 1 8.350 0.020 . 1 . . . . . 222 ALA H . 19803 1 1076 . 1 1 197 197 ALA HA H 1 4.172 0.020 . 1 . . . . . 222 ALA HA . 19803 1 1077 . 1 1 197 197 ALA C C 13 178.831 0.3 . 1 . . . . . 222 ALA C . 19803 1 1078 . 1 1 197 197 ALA CA C 13 55.230 0.3 . 1 . . . . . 222 ALA CA . 19803 1 1079 . 1 1 197 197 ALA CB C 13 17.689 0.3 . 1 . . . . . 222 ALA CB . 19803 1 1080 . 1 1 197 197 ALA N N 15 121.832 0.3 . 1 . . . . . 222 ALA N . 19803 1 1081 . 1 1 198 198 TYR H H 1 8.384 0.020 . 1 . . . . . 223 TYR H . 19803 1 1082 . 1 1 198 198 TYR CA C 13 60.195 0.3 . 1 . . . . . 223 TYR CA . 19803 1 1083 . 1 1 198 198 TYR CB C 13 38.406 0.3 . 1 . . . . . 223 TYR CB . 19803 1 1084 . 1 1 198 198 TYR N N 15 114.205 0.3 . 1 . . . . . 223 TYR N . 19803 1 1085 . 1 1 199 199 TYR H H 1 7.657 0.020 . 1 . . . . . 224 TYR H . 19803 1 1086 . 1 1 199 199 TYR C C 13 176.285 0.3 . 1 . . . . . 224 TYR C . 19803 1 1087 . 1 1 199 199 TYR CA C 13 60.854 0.3 . 1 . . . . . 224 TYR CA . 19803 1 1088 . 1 1 199 199 TYR CB C 13 38.254 0.3 . 1 . . . . . 224 TYR CB . 19803 1 1089 . 1 1 199 199 TYR N N 15 114.079 0.3 . 1 . . . . . 224 TYR N . 19803 1 1090 . 1 1 200 200 ILE H H 1 6.834 0.020 . 1 . . . . . 225 ILE H . 19803 1 1091 . 1 1 200 200 ILE CA C 13 65.333 0.3 . 1 . . . . . 225 ILE CA . 19803 1 1092 . 1 1 200 200 ILE N N 15 113.438 0.3 . 1 . . . . . 225 ILE N . 19803 1 1093 . 1 1 201 201 GLU H H 1 7.593 0.020 . 1 . . . . . 226 GLU H . 19803 1 1094 . 1 1 201 201 GLU HA H 1 4.433 0.020 . 1 . . . . . 226 GLU HA . 19803 1 1095 . 1 1 201 201 GLU C C 13 175.776 0.3 . 1 . . . . . 226 GLU C . 19803 1 1096 . 1 1 201 201 GLU CA C 13 54.801 0.3 . 1 . . . . . 226 GLU CA . 19803 1 1097 . 1 1 201 201 GLU CB C 13 30.514 0.3 . 1 . . . . . 226 GLU CB . 19803 1 1098 . 1 1 201 201 GLU N N 15 124.437 0.3 . 1 . . . . . 226 GLU N . 19803 1 1099 . 1 1 203 203 GLN H H 1 7.696 0.020 . 1 . . . . . 228 GLN H . 19803 1 1100 . 1 1 203 203 GLN CA C 13 52.900 0.3 . 1 . . . . . 228 GLN CA . 19803 1 1101 . 1 1 203 203 GLN CB C 13 33.397 0.3 . 1 . . . . . 228 GLN CB . 19803 1 1102 . 1 1 203 203 GLN N N 15 114.423 0.3 . 1 . . . . . 228 GLN N . 19803 1 1103 . 1 1 204 204 HIS H H 1 8.528 0.020 . 1 . . . . . 229 HIS H . 19803 1 1104 . 1 1 204 204 HIS HA H 1 4.172 0.020 . 1 . . . . . 229 HIS HA . 19803 1 1105 . 1 1 204 204 HIS C C 13 176.037 0.3 . 1 . . . . . 229 HIS C . 19803 1 1106 . 1 1 204 204 HIS CA C 13 58.984 0.3 . 1 . . . . . 229 HIS CA . 19803 1 1107 . 1 1 204 204 HIS CB C 13 29.451 0.3 . 1 . . . . . 229 HIS CB . 19803 1 1108 . 1 1 204 204 HIS N N 15 123.495 0.3 . 1 . . . . . 229 HIS N . 19803 1 1109 . 1 1 205 205 ARG H H 1 7.733 0.020 . 1 . . . . . 230 ARG H . 19803 1 1110 . 1 1 205 205 ARG HA H 1 4.227 0.020 . 1 . . . . . 230 ARG HA . 19803 1 1111 . 1 1 205 205 ARG C C 13 178.074 0.3 . 1 . . . . . 230 ARG C . 19803 1 1112 . 1 1 205 205 ARG CA C 13 60.159 0.3 . 1 . . . . . 230 ARG CA . 19803 1 1113 . 1 1 205 205 ARG CB C 13 29.451 0.3 . 1 . . . . . 230 ARG CB . 19803 1 1114 . 1 1 205 205 ARG N N 15 125.943 0.3 . 1 . . . . . 230 ARG N . 19803 1 1115 . 1 1 206 206 ASP H H 1 8.114 0.020 . 1 . . . . . 231 ASP H . 19803 1 1116 . 1 1 206 206 ASP HA H 1 4.131 0.020 . 1 . . . . . 231 ASP HA . 19803 1 1117 . 1 1 206 206 ASP C C 13 178.927 0.3 . 1 . . . . . 231 ASP C . 19803 1 1118 . 1 1 206 206 ASP CA C 13 56.673 0.3 . 1 . . . . . 231 ASP CA . 19803 1 1119 . 1 1 206 206 ASP CB C 13 39.164 0.3 . 1 . . . . . 231 ASP CB . 19803 1 1120 . 1 1 206 206 ASP N N 15 117.678 0.3 . 1 . . . . . 231 ASP N . 19803 1 1121 . 1 1 207 207 VAL H H 1 7.298 0.020 . 1 . . . . . 232 VAL H . 19803 1 1122 . 1 1 207 207 VAL C C 13 177.414 0.3 . 1 . . . . . 232 VAL C . 19803 1 1123 . 1 1 207 207 VAL CA C 13 65.296 0.3 . 1 . . . . . 232 VAL CA . 19803 1 1124 . 1 1 207 207 VAL CB C 13 30.741 0.3 . 1 . . . . . 232 VAL CB . 19803 1 1125 . 1 1 207 207 VAL N N 15 121.375 0.3 . 1 . . . . . 232 VAL N . 19803 1 1126 . 1 1 208 208 LEU H H 1 7.588 0.020 . 1 . . . . . 233 LEU H . 19803 1 1127 . 1 1 208 208 LEU C C 13 177.634 0.3 . 1 . . . . . 233 LEU C . 19803 1 1128 . 1 1 208 208 LEU CA C 13 57.517 0.3 . 1 . . . . . 233 LEU CA . 19803 1 1129 . 1 1 208 208 LEU CB C 13 41.137 0.3 . 1 . . . . . 233 LEU CB . 19803 1 1130 . 1 1 208 208 LEU N N 15 120.793 0.3 . 1 . . . . . 233 LEU N . 19803 1 1131 . 1 1 209 209 GLN H H 1 8.029 0.020 . 1 . . . . . 234 GLN H . 19803 1 1132 . 1 1 209 209 GLN HA H 1 4.099 0.020 . 1 . . . . . 234 GLN HA . 19803 1 1133 . 1 1 209 209 GLN C C 13 176.285 0.3 . 1 . . . . . 234 GLN C . 19803 1 1134 . 1 1 209 209 GLN CA C 13 59.205 0.3 . 1 . . . . . 234 GLN CA . 19803 1 1135 . 1 1 209 209 GLN CB C 13 27.397 0.3 . 1 . . . . . 234 GLN CB . 19803 1 1136 . 1 1 209 209 GLN N N 15 116.274 0.3 . 1 . . . . . 234 GLN N . 19803 1 1137 . 1 1 210 210 LEU H H 1 7.294 0.020 . 1 . . . . . 235 LEU H . 19803 1 1138 . 1 1 210 210 LEU C C 13 178.872 0.3 . 1 . . . . . 235 LEU C . 19803 1 1139 . 1 1 210 210 LEU CA C 13 56.673 0.3 . 1 . . . . . 235 LEU CA . 19803 1 1140 . 1 1 210 210 LEU CB C 13 41.594 0.3 . 1 . . . . . 235 LEU CB . 19803 1 1141 . 1 1 210 210 LEU N N 15 116.961 0.3 . 1 . . . . . 235 LEU N . 19803 1 1142 . 1 1 211 211 TYR H H 1 7.903 0.020 . 1 . . . . . 236 TYR H . 19803 1 1143 . 1 1 211 211 TYR HA H 1 4.266 0.020 . 1 . . . . . 236 TYR HA . 19803 1 1144 . 1 1 211 211 TYR HB2 H 1 2.189 0.020 . 1 . . . . . 236 TYR HB2 . 19803 1 1145 . 1 1 211 211 TYR HB3 H 1 2.189 0.020 . 1 . . . . . 236 TYR HB3 . 19803 1 1146 . 1 1 211 211 TYR C C 13 175.886 0.3 . 1 . . . . . 236 TYR C . 19803 1 1147 . 1 1 211 211 TYR CA C 13 57.186 0.3 . 1 . . . . . 236 TYR CA . 19803 1 1148 . 1 1 211 211 TYR CB C 13 37.526 0.3 . 1 . . . . . 236 TYR CB . 19803 1 1149 . 1 1 211 211 TYR N N 15 114.221 0.3 . 1 . . . . . 236 TYR N . 19803 1 1150 . 1 1 213 213 PRO C C 13 180.331 0.3 . 1 . . . . . 238 PRO C . 19803 1 1151 . 1 1 213 213 PRO CA C 13 65.269 0.3 . 1 . . . . . 238 PRO CA . 19803 1 1152 . 1 1 213 213 PRO CB C 13 30.134 0.3 . 1 . . . . . 238 PRO CB . 19803 1 1153 . 1 1 214 214 GLU H H 1 9.275 0.020 . 1 . . . . . 239 GLU H . 19803 1 1154 . 1 1 214 214 GLU C C 13 180.331 0.3 . 1 . . . . . 239 GLU C . 19803 1 1155 . 1 1 214 214 GLU CA C 13 59.168 0.3 . 1 . . . . . 239 GLU CA . 19803 1 1156 . 1 1 214 214 GLU CB C 13 27.706 0.3 . 1 . . . . . 239 GLU CB . 19803 1 1157 . 1 1 214 214 GLU N N 15 116.771 0.3 . 1 . . . . . 239 GLU N . 19803 1 1158 . 1 1 215 215 ALA H H 1 7.618 0.020 . 1 . . . . . 240 ALA H . 19803 1 1159 . 1 1 215 215 ALA C C 13 178.501 0.3 . 1 . . . . . 240 ALA C . 19803 1 1160 . 1 1 215 215 ALA CA C 13 54.214 0.3 . 1 . . . . . 240 ALA CA . 19803 1 1161 . 1 1 215 215 ALA CB C 13 17.158 0.3 . 1 . . . . . 240 ALA CB . 19803 1 1162 . 1 1 215 215 ALA N N 15 121.990 0.3 . 1 . . . . . 240 ALA N . 19803 1 1163 . 1 1 216 216 PHE H H 1 6.909 0.020 . 1 . . . . . 241 PHE H . 19803 1 1164 . 1 1 216 216 PHE CA C 13 59.729 0.3 . 1 . . . . . 241 PHE CA . 19803 1 1165 . 1 1 216 216 PHE CB C 13 41.896 0.3 . 1 . . . . . 241 PHE CB . 19803 1 1166 . 1 1 216 216 PHE N N 15 112.424 0.3 . 1 . . . . . 241 PHE N . 19803 1 1167 . 1 1 217 217 ASN H H 1 7.550 0.020 . 1 . . . . . 242 ASN H . 19803 1 1168 . 1 1 217 217 ASN CA C 13 50.320 0.3 . 1 . . . . . 242 ASN CA . 19803 1 1169 . 1 1 217 217 ASN N N 15 113.126 0.3 . 1 . . . . . 242 ASN N . 19803 1 1170 . 1 1 218 218 TYR H H 1 6.952 0.020 . 1 . . . . . 243 TYR H . 19803 1 1171 . 1 1 218 218 TYR CA C 13 56.542 0.3 . 1 . . . . . 243 TYR CA . 19803 1 1172 . 1 1 218 218 TYR CB C 13 37.191 0.3 . 1 . . . . . 243 TYR CB . 19803 1 1173 . 1 1 218 218 TYR N N 15 115.911 0.3 . 1 . . . . . 243 TYR N . 19803 1 1174 . 1 1 219 219 MET H H 1 8.191 0.020 . 1 . . . . . 244 MET H . 19803 1 1175 . 1 1 219 219 MET HA H 1 4.200 0.020 . 1 . . . . . 244 MET HA . 19803 1 1176 . 1 1 219 219 MET CA C 13 55.695 0.3 . 1 . . . . . 244 MET CA . 19803 1 1177 . 1 1 219 219 MET N N 15 117.528 0.3 . 1 . . . . . 244 MET N . 19803 1 1178 . 1 1 220 220 ASP H H 1 8.057 0.020 . 1 . . . . . 245 ASP H . 19803 1 1179 . 1 1 220 220 ASP HA H 1 4.021 0.020 . 1 . . . . . 245 ASP HA . 19803 1 1180 . 1 1 220 220 ASP C C 13 177.070 0.3 . 1 . . . . . 245 ASP C . 19803 1 1181 . 1 1 220 220 ASP CA C 13 55.095 0.3 . 1 . . . . . 245 ASP CA . 19803 1 1182 . 1 1 220 220 ASP CB C 13 40.454 0.3 . 1 . . . . . 245 ASP CB . 19803 1 1183 . 1 1 220 220 ASP N N 15 122.185 0.3 . 1 . . . . . 245 ASP N . 19803 1 1184 . 1 1 221 221 LYS H H 1 7.766 0.020 . 1 . . . . . 246 LYS H . 19803 1 1185 . 1 1 221 221 LYS C C 13 177.221 0.3 . 1 . . . . . 246 LYS C . 19803 1 1186 . 1 1 221 221 LYS N N 15 114.081 0.3 . 1 . . . . . 246 LYS N . 19803 1 1187 . 1 1 222 222 PHE H H 1 7.439 0.020 . 1 . . . . . 247 PHE H . 19803 1 1188 . 1 1 222 222 PHE C C 13 180.413 0.3 . 1 . . . . . 247 PHE C . 19803 1 1189 . 1 1 222 222 PHE CA C 13 57.040 0.3 . 1 . . . . . 247 PHE CA . 19803 1 1190 . 1 1 222 222 PHE CB C 13 41.062 0.3 . 1 . . . . . 247 PHE CB . 19803 1 1191 . 1 1 222 222 PHE N N 15 119.034 0.3 . 1 . . . . . 247 PHE N . 19803 1 1192 . 1 1 223 223 ASN H H 1 6.990 0.020 . 1 . . . . . 248 ASN H . 19803 1 1193 . 1 1 223 223 ASN CA C 13 54.873 0.3 . 1 . . . . . 248 ASN CA . 19803 1 1194 . 1 1 223 223 ASN N N 15 113.496 0.3 . 1 . . . . . 248 ASN N . 19803 1 1195 . 1 1 224 224 GLU H H 1 7.780 0.020 . 1 . . . . . 249 GLU H . 19803 1 1196 . 1 1 224 224 GLU HA H 1 3.966 0.020 . 1 . . . . . 249 GLU HA . 19803 1 1197 . 1 1 224 224 GLU C C 13 179.877 0.3 . 1 . . . . . 249 GLU C . 19803 1 1198 . 1 1 224 224 GLU CA C 13 56.314 0.3 . 1 . . . . . 249 GLU CA . 19803 1 1199 . 1 1 224 224 GLU CB C 13 28.465 0.3 . 1 . . . . . 249 GLU CB . 19803 1 1200 . 1 1 224 224 GLU N N 15 116.945 0.3 . 1 . . . . . 249 GLU N . 19803 1 1201 . 1 1 225 225 GLN H H 1 7.565 0.020 . 1 . . . . . 250 GLN H . 19803 1 1202 . 1 1 225 225 GLN CA C 13 65.186 0.3 . 1 . . . . . 250 GLN CA . 19803 1 1203 . 1 1 225 225 GLN CB C 13 33.473 0.3 . 1 . . . . . 250 GLN CB . 19803 1 1204 . 1 1 225 225 GLN N N 15 112.739 0.3 . 1 . . . . . 250 GLN N . 19803 1 1205 . 1 1 226 226 GLU H H 1 6.732 0.020 . 1 . . . . . 251 GLU H . 19803 1 1206 . 1 1 226 226 GLU CA C 13 65.039 0.3 . 1 . . . . . 251 GLU CA . 19803 1 1207 . 1 1 226 226 GLU CB C 13 28.541 0.3 . 1 . . . . . 251 GLU CB . 19803 1 1208 . 1 1 226 226 GLU N N 15 113.380 0.3 . 1 . . . . . 251 GLU N . 19803 1 1209 . 1 1 227 227 ILE H H 1 7.476 0.020 . 1 . . . . . 252 ILE H . 19803 1 1210 . 1 1 227 227 ILE HA H 1 5.355 0.020 . 1 . . . . . 252 ILE HA . 19803 1 1211 . 1 1 227 227 ILE C C 13 177.276 0.3 . 1 . . . . . 252 ILE C . 19803 1 1212 . 1 1 227 227 ILE CA C 13 63.938 0.3 . 1 . . . . . 252 ILE CA . 19803 1 1213 . 1 1 227 227 ILE N N 15 113.554 0.3 . 1 . . . . . 252 ILE N . 19803 1 1214 . 1 1 228 228 ASN H H 1 6.691 0.020 . 1 . . . . . 253 ASN H . 19803 1 1215 . 1 1 228 228 ASN CA C 13 52.783 0.3 . 1 . . . . . 253 ASN CA . 19803 1 1216 . 1 1 228 228 ASN CB C 13 37.116 0.3 . 1 . . . . . 253 ASN CB . 19803 1 1217 . 1 1 228 228 ASN N N 15 111.533 0.3 . 1 . . . . . 253 ASN N . 19803 1 1218 . 1 1 229 229 LEU H H 1 8.139 0.020 . 1 . . . . . 254 LEU H . 19803 1 1219 . 1 1 229 229 LEU HA H 1 4.201 0.020 . 1 . . . . . 254 LEU HA . 19803 1 1220 . 1 1 229 229 LEU HB2 H 1 1.564 0.020 . 1 . . . . . 254 LEU HB2 . 19803 1 1221 . 1 1 229 229 LEU HB3 H 1 1.564 0.020 . 1 . . . . . 254 LEU HB3 . 19803 1 1222 . 1 1 229 229 LEU C C 13 177.262 0.3 . 1 . . . . . 254 LEU C . 19803 1 1223 . 1 1 229 229 LEU CA C 13 54.691 0.3 . 1 . . . . . 254 LEU CA . 19803 1 1224 . 1 1 229 229 LEU CB C 13 37.495 0.3 . 1 . . . . . 254 LEU CB . 19803 1 1225 . 1 1 229 229 LEU N N 15 123.626 0.3 . 1 . . . . . 254 LEU N . 19803 1 1226 . 1 1 230 230 SER H H 1 7.601 0.020 . 1 . . . . . 255 SER H . 19803 1 1227 . 1 1 230 230 SER CA C 13 65.333 0.3 . 1 . . . . . 255 SER CA . 19803 1 1228 . 1 1 230 230 SER N N 15 113.387 0.3 . 1 . . . . . 255 SER N . 19803 1 1229 . 1 1 231 231 LEU H H 1 7.785 0.020 . 1 . . . . . 256 LEU H . 19803 1 1230 . 1 1 231 231 LEU HA H 1 4.090 0.020 . 1 . . . . . 256 LEU HA . 19803 1 1231 . 1 1 231 231 LEU C C 13 176.216 0.3 . 1 . . . . . 256 LEU C . 19803 1 1232 . 1 1 231 231 LEU CA C 13 57.994 0.3 . 1 . . . . . 256 LEU CA . 19803 1 1233 . 1 1 231 231 LEU CB C 13 39.847 0.3 . 1 . . . . . 256 LEU CB . 19803 1 1234 . 1 1 231 231 LEU N N 15 118.985 0.3 . 1 . . . . . 256 LEU N . 19803 1 1235 . 1 1 232 232 GLU H H 1 8.182 0.020 . 1 . . . . . 257 GLU H . 19803 1 1236 . 1 1 232 232 GLU HA H 1 4.090 0.020 . 1 . . . . . 257 GLU HA . 19803 1 1237 . 1 1 232 232 GLU C C 13 176.615 0.3 . 1 . . . . . 257 GLU C . 19803 1 1238 . 1 1 232 232 GLU CA C 13 56.445 0.3 . 1 . . . . . 257 GLU CA . 19803 1 1239 . 1 1 232 232 GLU CB C 13 29.484 0.3 . 1 . . . . . 257 GLU CB . 19803 1 1240 . 1 1 232 232 GLU N N 15 121.201 0.3 . 1 . . . . . 257 GLU N . 19803 1 1241 . 1 1 233 233 GLU H H 1 8.202 0.020 . 1 . . . . . 258 GLU H . 19803 1 1242 . 1 1 233 233 GLU HA H 1 4.134 0.020 . 1 . . . . . 258 GLU HA . 19803 1 1243 . 1 1 233 233 GLU C C 13 176.232 0.3 . 1 . . . . . 258 GLU C . 19803 1 1244 . 1 1 233 233 GLU CA C 13 56.269 0.3 . 1 . . . . . 258 GLU CA . 19803 1 1245 . 1 1 233 233 GLU N N 15 121.685 0.3 . 1 . . . . . 258 GLU N . 19803 1 1246 . 1 1 234 234 LEU H H 1 8.056 0.020 . 1 . . . . . 259 LEU H . 19803 1 1247 . 1 1 234 234 LEU HA H 1 4.310 0.020 . 1 . . . . . 259 LEU HA . 19803 1 1248 . 1 1 234 234 LEU C C 13 176.272 0.3 . 1 . . . . . 259 LEU C . 19803 1 1249 . 1 1 234 234 LEU CA C 13 54.728 0.3 . 1 . . . . . 259 LEU CA . 19803 1 1250 . 1 1 234 234 LEU CB C 13 40.682 0.3 . 1 . . . . . 259 LEU CB . 19803 1 1251 . 1 1 234 234 LEU N N 15 124.228 0.3 . 1 . . . . . 259 LEU N . 19803 1 1252 . 1 1 235 235 LYS H H 1 7.241 0.020 . 1 . . . . . 260 LYS H . 19803 1 1253 . 1 1 235 235 LYS CA C 13 56.562 0.3 . 1 . . . . . 260 LYS CA . 19803 1 1254 . 1 1 235 235 LYS N N 15 116.226 0.3 . 1 . . . . . 260 LYS N . 19803 1 stop_ save_