data_17446 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17446 _Entry.Title ; 1H 15N 13C Backbone Assignment of Sap97 N terminal region and PDZ1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-07 _Entry.Accession_date 2011-02-07 _Entry.Last_release_date 2011-02-07 _Entry.Original_release_date 2011-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Marie Phelan . M. . . 17446 2 Mark Tully . D. . . 17446 3 Mark Leyland . . . . 17446 4 Lu-Yun Lian . . . . 17446 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Liverpool' . 17446 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17446 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 567 17446 '15N chemical shifts' 181 17446 '1H chemical shifts' 630 17446 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-10-30 2011-02-07 update BMRB 'complete entry, etc.' 17446 1 . . 2012-08-14 2011-02-07 original author 'original release' 17446 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17446 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22242544 _Citation.Full_citation . _Citation.Title ; Conformational characterization of synapse-associated protein 97 by nuclear magnetic resonance and small-angle X-ray scattering shows compact and elongated forms ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 51 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 899 _Citation.Page_last 908 _Citation.Year 2012 _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 Mark Tully . D. . . 17446 1 2 J. Grossmann . Gunter . . 17446 1 3 Marie Phelan . . . . 17446 1 4 Sravan Pandelaneni . . . . 17446 1 5 Mark Leyland . . . . 17446 1 6 Lu-Yun Lian . . . . 17446 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PDZ 17446 1 SAP97 17446 1 SAP97NPDZ1 17446 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17446 _Assembly.ID 1 _Assembly.Name SAP97NPDZ1 _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 SAP97NPDZ1 1 $SAP97NPDZ1 A . yes native no no . . . 17446 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAP97NPDZ1 _Entity.Sf_category entity _Entity.Sf_framecode SAP97NPDZ1 _Entity.Entry_ID 17446 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SAP97NPDZ1 _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 ; SMSKQCEPVQPGNPWESGSL SSAAVTSESLPGGLSPPVEK YRYQDEEVLPSERISPQVPN EVLGPELVHVSEKSLSEIEN VHGFVSHSHISPIKANPPPV LVNTDSLETPTYVNGTDADY EYEEITLERGNSGLGFSIAG GTDNPHIGDDSSIFITKIIT GGAAAQDGRLRVNDCILRVN EADVRDVTHSKAVEALKEAG SIVRLYVKRRKPAS ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment ; NPDZ1 N terminal region and PDZ1 ; _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 UNP Q62696 . DLG1_RAT . . . . . . . . . . . . . . 17446 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'scaffolding protein' 17446 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 68 SER . 17446 1 2 69 MET . 17446 1 3 70 SER . 17446 1 4 71 LYS . 17446 1 5 72 GLN . 17446 1 6 73 CYS . 17446 1 7 74 GLU . 17446 1 8 75 PRO . 17446 1 9 76 VAL . 17446 1 10 77 GLN . 17446 1 11 78 PRO . 17446 1 12 79 GLY . 17446 1 13 80 ASN . 17446 1 14 81 PRO . 17446 1 15 82 TRP . 17446 1 16 83 GLU . 17446 1 17 84 SER . 17446 1 18 85 GLY . 17446 1 19 86 SER . 17446 1 20 87 LEU . 17446 1 21 88 SER . 17446 1 22 89 SER . 17446 1 23 90 ALA . 17446 1 24 91 ALA . 17446 1 25 92 VAL . 17446 1 26 93 THR . 17446 1 27 94 SER . 17446 1 28 95 GLU . 17446 1 29 96 SER . 17446 1 30 97 LEU . 17446 1 31 98 PRO . 17446 1 32 99 GLY . 17446 1 33 100 GLY . 17446 1 34 101 LEU . 17446 1 35 102 SER . 17446 1 36 103 PRO . 17446 1 37 104 PRO . 17446 1 38 105 VAL . 17446 1 39 106 GLU . 17446 1 40 107 LYS . 17446 1 41 108 TYR . 17446 1 42 109 ARG . 17446 1 43 110 TYR . 17446 1 44 111 GLN . 17446 1 45 112 ASP . 17446 1 46 113 GLU . 17446 1 47 114 GLU . 17446 1 48 115 VAL . 17446 1 49 116 LEU . 17446 1 50 117 PRO . 17446 1 51 118 SER . 17446 1 52 119 GLU . 17446 1 53 120 ARG . 17446 1 54 121 ILE . 17446 1 55 122 SER . 17446 1 56 123 PRO . 17446 1 57 124 GLN . 17446 1 58 125 VAL . 17446 1 59 126 PRO . 17446 1 60 127 ASN . 17446 1 61 128 GLU . 17446 1 62 129 VAL . 17446 1 63 130 LEU . 17446 1 64 131 GLY . 17446 1 65 132 PRO . 17446 1 66 133 GLU . 17446 1 67 134 LEU . 17446 1 68 135 VAL . 17446 1 69 136 HIS . 17446 1 70 137 VAL . 17446 1 71 138 SER . 17446 1 72 139 GLU . 17446 1 73 140 LYS . 17446 1 74 141 SER . 17446 1 75 142 LEU . 17446 1 76 143 SER . 17446 1 77 144 GLU . 17446 1 78 145 ILE . 17446 1 79 146 GLU . 17446 1 80 147 ASN . 17446 1 81 148 VAL . 17446 1 82 149 HIS . 17446 1 83 150 GLY . 17446 1 84 151 PHE . 17446 1 85 152 VAL . 17446 1 86 153 SER . 17446 1 87 154 HIS . 17446 1 88 155 SER . 17446 1 89 156 HIS . 17446 1 90 157 ILE . 17446 1 91 158 SER . 17446 1 92 159 PRO . 17446 1 93 160 ILE . 17446 1 94 161 LYS . 17446 1 95 162 ALA . 17446 1 96 163 ASN . 17446 1 97 164 PRO . 17446 1 98 165 PRO . 17446 1 99 166 PRO . 17446 1 100 167 VAL . 17446 1 101 168 LEU . 17446 1 102 169 VAL . 17446 1 103 170 ASN . 17446 1 104 171 THR . 17446 1 105 172 ASP . 17446 1 106 173 SER . 17446 1 107 174 LEU . 17446 1 108 175 GLU . 17446 1 109 176 THR . 17446 1 110 177 PRO . 17446 1 111 178 THR . 17446 1 112 179 TYR . 17446 1 113 180 VAL . 17446 1 114 181 ASN . 17446 1 115 182 GLY . 17446 1 116 183 THR . 17446 1 117 184 ASP . 17446 1 118 185 ALA . 17446 1 119 186 ASP . 17446 1 120 187 TYR . 17446 1 121 188 GLU . 17446 1 122 189 TYR . 17446 1 123 190 GLU . 17446 1 124 191 GLU . 17446 1 125 192 ILE . 17446 1 126 193 THR . 17446 1 127 194 LEU . 17446 1 128 195 GLU . 17446 1 129 196 ARG . 17446 1 130 197 GLY . 17446 1 131 198 ASN . 17446 1 132 199 SER . 17446 1 133 200 GLY . 17446 1 134 201 LEU . 17446 1 135 202 GLY . 17446 1 136 203 PHE . 17446 1 137 204 SER . 17446 1 138 205 ILE . 17446 1 139 206 ALA . 17446 1 140 207 GLY . 17446 1 141 208 GLY . 17446 1 142 209 THR . 17446 1 143 210 ASP . 17446 1 144 211 ASN . 17446 1 145 212 PRO . 17446 1 146 213 HIS . 17446 1 147 214 ILE . 17446 1 148 215 GLY . 17446 1 149 216 ASP . 17446 1 150 217 ASP . 17446 1 151 218 SER . 17446 1 152 219 SER . 17446 1 153 220 ILE . 17446 1 154 221 PHE . 17446 1 155 222 ILE . 17446 1 156 223 THR . 17446 1 157 224 LYS . 17446 1 158 225 ILE . 17446 1 159 226 ILE . 17446 1 160 227 THR . 17446 1 161 228 GLY . 17446 1 162 229 GLY . 17446 1 163 230 ALA . 17446 1 164 231 ALA . 17446 1 165 232 ALA . 17446 1 166 233 GLN . 17446 1 167 234 ASP . 17446 1 168 235 GLY . 17446 1 169 236 ARG . 17446 1 170 237 LEU . 17446 1 171 238 ARG . 17446 1 172 239 VAL . 17446 1 173 240 ASN . 17446 1 174 241 ASP . 17446 1 175 242 CYS . 17446 1 176 243 ILE . 17446 1 177 244 LEU . 17446 1 178 245 ARG . 17446 1 179 246 VAL . 17446 1 180 247 ASN . 17446 1 181 248 GLU . 17446 1 182 249 ALA . 17446 1 183 250 ASP . 17446 1 184 251 VAL . 17446 1 185 252 ARG . 17446 1 186 253 ASP . 17446 1 187 254 VAL . 17446 1 188 255 THR . 17446 1 189 256 HIS . 17446 1 190 257 SER . 17446 1 191 258 LYS . 17446 1 192 259 ALA . 17446 1 193 260 VAL . 17446 1 194 261 GLU . 17446 1 195 262 ALA . 17446 1 196 263 LEU . 17446 1 197 264 LYS . 17446 1 198 265 GLU . 17446 1 199 266 ALA . 17446 1 200 267 GLY . 17446 1 201 268 SER . 17446 1 202 269 ILE . 17446 1 203 270 VAL . 17446 1 204 271 ARG . 17446 1 205 272 LEU . 17446 1 206 273 TYR . 17446 1 207 274 VAL . 17446 1 208 275 LYS . 17446 1 209 276 ARG . 17446 1 210 277 ARG . 17446 1 211 278 LYS . 17446 1 212 279 PRO . 17446 1 213 280 ALA . 17446 1 214 281 SER . 17446 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 . SER 1 1 17446 1 . MET 2 2 17446 1 . SER 3 3 17446 1 . LYS 4 4 17446 1 . GLN 5 5 17446 1 . CYS 6 6 17446 1 . GLU 7 7 17446 1 . PRO 8 8 17446 1 . VAL 9 9 17446 1 . GLN 10 10 17446 1 . PRO 11 11 17446 1 . GLY 12 12 17446 1 . ASN 13 13 17446 1 . PRO 14 14 17446 1 . TRP 15 15 17446 1 . GLU 16 16 17446 1 . SER 17 17 17446 1 . GLY 18 18 17446 1 . SER 19 19 17446 1 . LEU 20 20 17446 1 . SER 21 21 17446 1 . SER 22 22 17446 1 . ALA 23 23 17446 1 . ALA 24 24 17446 1 . VAL 25 25 17446 1 . THR 26 26 17446 1 . SER 27 27 17446 1 . GLU 28 28 17446 1 . SER 29 29 17446 1 . LEU 30 30 17446 1 . PRO 31 31 17446 1 . GLY 32 32 17446 1 . GLY 33 33 17446 1 . LEU 34 34 17446 1 . SER 35 35 17446 1 . PRO 36 36 17446 1 . PRO 37 37 17446 1 . VAL 38 38 17446 1 . GLU 39 39 17446 1 . LYS 40 40 17446 1 . TYR 41 41 17446 1 . ARG 42 42 17446 1 . TYR 43 43 17446 1 . GLN 44 44 17446 1 . ASP 45 45 17446 1 . GLU 46 46 17446 1 . GLU 47 47 17446 1 . VAL 48 48 17446 1 . LEU 49 49 17446 1 . PRO 50 50 17446 1 . SER 51 51 17446 1 . GLU 52 52 17446 1 . ARG 53 53 17446 1 . ILE 54 54 17446 1 . SER 55 55 17446 1 . PRO 56 56 17446 1 . GLN 57 57 17446 1 . VAL 58 58 17446 1 . PRO 59 59 17446 1 . ASN 60 60 17446 1 . GLU 61 61 17446 1 . VAL 62 62 17446 1 . LEU 63 63 17446 1 . GLY 64 64 17446 1 . PRO 65 65 17446 1 . GLU 66 66 17446 1 . LEU 67 67 17446 1 . VAL 68 68 17446 1 . HIS 69 69 17446 1 . VAL 70 70 17446 1 . SER 71 71 17446 1 . GLU 72 72 17446 1 . LYS 73 73 17446 1 . SER 74 74 17446 1 . LEU 75 75 17446 1 . SER 76 76 17446 1 . GLU 77 77 17446 1 . ILE 78 78 17446 1 . GLU 79 79 17446 1 . ASN 80 80 17446 1 . VAL 81 81 17446 1 . HIS 82 82 17446 1 . GLY 83 83 17446 1 . PHE 84 84 17446 1 . VAL 85 85 17446 1 . SER 86 86 17446 1 . HIS 87 87 17446 1 . SER 88 88 17446 1 . HIS 89 89 17446 1 . ILE 90 90 17446 1 . SER 91 91 17446 1 . PRO 92 92 17446 1 . ILE 93 93 17446 1 . LYS 94 94 17446 1 . ALA 95 95 17446 1 . ASN 96 96 17446 1 . PRO 97 97 17446 1 . PRO 98 98 17446 1 . PRO 99 99 17446 1 . VAL 100 100 17446 1 . LEU 101 101 17446 1 . VAL 102 102 17446 1 . ASN 103 103 17446 1 . THR 104 104 17446 1 . ASP 105 105 17446 1 . SER 106 106 17446 1 . LEU 107 107 17446 1 . GLU 108 108 17446 1 . THR 109 109 17446 1 . PRO 110 110 17446 1 . THR 111 111 17446 1 . TYR 112 112 17446 1 . VAL 113 113 17446 1 . ASN 114 114 17446 1 . GLY 115 115 17446 1 . THR 116 116 17446 1 . ASP 117 117 17446 1 . ALA 118 118 17446 1 . ASP 119 119 17446 1 . TYR 120 120 17446 1 . GLU 121 121 17446 1 . TYR 122 122 17446 1 . GLU 123 123 17446 1 . GLU 124 124 17446 1 . ILE 125 125 17446 1 . THR 126 126 17446 1 . LEU 127 127 17446 1 . GLU 128 128 17446 1 . ARG 129 129 17446 1 . GLY 130 130 17446 1 . ASN 131 131 17446 1 . SER 132 132 17446 1 . GLY 133 133 17446 1 . LEU 134 134 17446 1 . GLY 135 135 17446 1 . PHE 136 136 17446 1 . SER 137 137 17446 1 . ILE 138 138 17446 1 . ALA 139 139 17446 1 . GLY 140 140 17446 1 . GLY 141 141 17446 1 . THR 142 142 17446 1 . ASP 143 143 17446 1 . ASN 144 144 17446 1 . PRO 145 145 17446 1 . HIS 146 146 17446 1 . ILE 147 147 17446 1 . GLY 148 148 17446 1 . ASP 149 149 17446 1 . ASP 150 150 17446 1 . SER 151 151 17446 1 . SER 152 152 17446 1 . ILE 153 153 17446 1 . PHE 154 154 17446 1 . ILE 155 155 17446 1 . THR 156 156 17446 1 . LYS 157 157 17446 1 . ILE 158 158 17446 1 . ILE 159 159 17446 1 . THR 160 160 17446 1 . GLY 161 161 17446 1 . GLY 162 162 17446 1 . ALA 163 163 17446 1 . ALA 164 164 17446 1 . ALA 165 165 17446 1 . GLN 166 166 17446 1 . ASP 167 167 17446 1 . GLY 168 168 17446 1 . ARG 169 169 17446 1 . LEU 170 170 17446 1 . ARG 171 171 17446 1 . VAL 172 172 17446 1 . ASN 173 173 17446 1 . ASP 174 174 17446 1 . CYS 175 175 17446 1 . ILE 176 176 17446 1 . LEU 177 177 17446 1 . ARG 178 178 17446 1 . VAL 179 179 17446 1 . ASN 180 180 17446 1 . GLU 181 181 17446 1 . ALA 182 182 17446 1 . ASP 183 183 17446 1 . VAL 184 184 17446 1 . ARG 185 185 17446 1 . ASP 186 186 17446 1 . VAL 187 187 17446 1 . THR 188 188 17446 1 . HIS 189 189 17446 1 . SER 190 190 17446 1 . LYS 191 191 17446 1 . ALA 192 192 17446 1 . VAL 193 193 17446 1 . GLU 194 194 17446 1 . ALA 195 195 17446 1 . LEU 196 196 17446 1 . LYS 197 197 17446 1 . GLU 198 198 17446 1 . ALA 199 199 17446 1 . GLY 200 200 17446 1 . SER 201 201 17446 1 . ILE 202 202 17446 1 . VAL 203 203 17446 1 . ARG 204 204 17446 1 . LEU 205 205 17446 1 . TYR 206 206 17446 1 . VAL 207 207 17446 1 . LYS 208 208 17446 1 . ARG 209 209 17446 1 . ARG 210 210 17446 1 . LYS 211 211 17446 1 . PRO 212 212 17446 1 . ALA 213 213 17446 1 . SER 214 214 17446 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 17446 _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 $SAP97NPDZ1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 17446 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 17446 _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 $SAP97NPDZ1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pLEIC-01 . . 'Vector developed by Dr Mark Leyland, University of Leicester, contains a HexaHistag followed by a TEV cleavage site.' 17446 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17446 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SAP97NPDZ1 '[U-98% 13C; U-98% 15N]' . . 1 $SAP97NPDZ1 . . 1 . . mM . . . . 17446 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17446 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17446 1 pH 6.5 . pH 17446 1 pressure 1 . atm 17446 1 temperature 298 . K 17446 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17446 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17446 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 17446 1 . processing 17446 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 17446 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version 2.1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17446 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 17446 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17446 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17446 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'equipped with TXI cryoprobe' . . 17446 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 17446 _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 . . . . . . . . . . . . . . . . 17446 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17446 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 17446 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 17446 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 17446 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 17446 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 17446 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 17446 1 2 '2D 1H-13C HSQC' . . . 17446 1 3 '3D CBCA(CO)NH' . . . 17446 1 4 '3D HNCACB' . . . 17446 1 5 '3D HNCO' . . . 17446 1 6 '3D HCACO' . . . 17446 1 7 '3D HBHA(CO)NH' . . . 17446 1 8 '3D HBHANH' . . . 17446 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 2 2 MET HA H 1 4.470 0.001 . 1 . . . . . 69 Met HA . 17446 1 2 . 1 1 2 2 MET HB2 H 1 2.024 0.001 . 2 . . . . . 69 Met HB2 . 17446 1 3 . 1 1 2 2 MET HB3 H 1 1.937 0.001 . 2 . . . . . 69 Met HB3 . 17446 1 4 . 1 1 2 2 MET C C 13 176.085 0.001 . 1 . . . . . 69 Met C . 17446 1 5 . 1 1 2 2 MET CA C 13 55.573 0.001 . 1 . . . . . 69 Met CA . 17446 1 6 . 1 1 2 2 MET CB C 13 32.953 0.001 . 1 . . . . . 69 Met CB . 17446 1 7 . 1 1 3 3 SER H H 1 8.367 0.004 . 1 . . . . . 70 Ser H . 17446 1 8 . 1 1 3 3 SER HA H 1 4.350 0.001 . 1 . . . . . 70 Ser HA . 17446 1 9 . 1 1 3 3 SER HB3 H 1 3.771 0.001 . 2 . . . . . 70 Ser HB3 . 17446 1 10 . 1 1 3 3 SER C C 13 174.406 0.001 . 1 . . . . . 70 Ser C . 17446 1 11 . 1 1 3 3 SER CA C 13 58.387 0.001 . 1 . . . . . 70 Ser CA . 17446 1 12 . 1 1 3 3 SER CB C 13 63.759 0.001 . 1 . . . . . 70 Ser CB . 17446 1 13 . 1 1 3 3 SER N N 15 117.599 0.019 . 1 . . . . . 70 Ser N . 17446 1 14 . 1 1 4 4 LYS H H 1 8.320 0.004 . 1 . . . . . 71 Lys H . 17446 1 15 . 1 1 4 4 LYS HA H 1 4.233 0.001 . 1 . . . . . 71 Lys HA . 17446 1 16 . 1 1 4 4 LYS HB3 H 1 1.660 0.001 . 2 . . . . . 71 Lys HB3 . 17446 1 17 . 1 1 4 4 LYS C C 13 176.400 0.001 . 1 . . . . . 71 Lys C . 17446 1 18 . 1 1 4 4 LYS CA C 13 56.353 0.001 . 1 . . . . . 71 Lys CA . 17446 1 19 . 1 1 4 4 LYS CB C 13 32.947 0.001 . 1 . . . . . 71 Lys CB . 17446 1 20 . 1 1 4 4 LYS N N 15 123.372 0.061 . 1 . . . . . 71 Lys N . 17446 1 21 . 1 1 5 5 GLN H H 1 8.352 0.004 . 1 . . . . . 72 Gln H . 17446 1 22 . 1 1 5 5 GLN HA H 1 4.247 0.001 . 1 . . . . . 72 Gln HA . 17446 1 23 . 1 1 5 5 GLN HB2 H 1 1.899 0.001 . 2 . . . . . 72 Gln HB2 . 17446 1 24 . 1 1 5 5 GLN HB3 H 1 2.019 0.001 . 2 . . . . . 72 Gln HB3 . 17446 1 25 . 1 1 5 5 GLN C C 13 175.710 0.001 . 1 . . . . . 72 Gln C . 17446 1 26 . 1 1 5 5 GLN CA C 13 55.852 0.001 . 1 . . . . . 72 Gln CA . 17446 1 27 . 1 1 5 5 GLN CB C 13 29.342 0.001 . 1 . . . . . 72 Gln CB . 17446 1 28 . 1 1 5 5 GLN N N 15 121.639 0.020 . 1 . . . . . 72 Gln N . 17446 1 29 . 1 1 6 6 CYS H H 1 8.307 0.004 . 1 . . . . . 73 Cys H . 17446 1 30 . 1 1 6 6 CYS HA H 1 4.404 0.005 . 1 . . . . . 73 Cys HA . 17446 1 31 . 1 1 6 6 CYS HB3 H 1 2.821 0.005 . 2 . . . . . 73 Cys HB3 . 17446 1 32 . 1 1 6 6 CYS C C 13 174.094 0.006 . 1 . . . . . 73 Cys C . 17446 1 33 . 1 1 6 6 CYS CA C 13 58.261 0.010 . 1 . . . . . 73 Cys CA . 17446 1 34 . 1 1 6 6 CYS CB C 13 28.126 0.018 . 1 . . . . . 73 Cys CB . 17446 1 35 . 1 1 6 6 CYS N N 15 120.399 0.020 . 1 . . . . . 73 Cys N . 17446 1 36 . 1 1 7 7 GLU H H 1 8.337 0.003 . 1 . . . . . 74 Glu H . 17446 1 37 . 1 1 7 7 GLU HA H 1 4.490 0.001 . 1 . . . . . 74 Glu HA . 17446 1 38 . 1 1 7 7 GLU HB3 H 1 1.790 0.001 . 2 . . . . . 74 Glu HB3 . 17446 1 39 . 1 1 7 7 GLU C C 13 174.357 0.001 . 1 . . . . . 74 Glu C . 17446 1 40 . 1 1 7 7 GLU CA C 13 54.463 0.001 . 1 . . . . . 74 Glu CA . 17446 1 41 . 1 1 7 7 GLU CB C 13 29.647 0.001 . 1 . . . . . 74 Glu CB . 17446 1 42 . 1 1 7 7 GLU N N 15 124.314 0.016 . 1 . . . . . 74 Glu N . 17446 1 43 . 1 1 8 8 PRO HA H 1 4.349 0.001 . 1 . . . . . 75 Pro HA . 17446 1 44 . 1 1 8 8 PRO HB2 H 1 1.775 0.001 . 2 . . . . . 75 Pro HB2 . 17446 1 45 . 1 1 8 8 PRO HB3 H 1 2.166 0.001 . 2 . . . . . 75 Pro HB3 . 17446 1 46 . 1 1 8 8 PRO C C 13 176.663 0.001 . 1 . . . . . 75 Pro C . 17446 1 47 . 1 1 8 8 PRO CA C 13 62.898 0.001 . 1 . . . . . 75 Pro CA . 17446 1 48 . 1 1 8 8 PRO CB C 13 31.960 0.001 . 1 . . . . . 75 Pro CB . 17446 1 49 . 1 1 9 9 VAL H H 1 8.129 0.004 . 1 . . . . . 76 Val H . 17446 1 50 . 1 1 9 9 VAL HA H 1 3.961 0.001 . 1 . . . . . 76 Val HA . 17446 1 51 . 1 1 9 9 VAL HB H 1 1.913 0.001 . 1 . . . . . 76 Val HB . 17446 1 52 . 1 1 9 9 VAL C C 13 176.001 0.002 . 1 . . . . . 76 Val C . 17446 1 53 . 1 1 9 9 VAL CA C 13 62.187 0.001 . 1 . . . . . 76 Val CA . 17446 1 54 . 1 1 9 9 VAL CB C 13 32.678 0.002 . 1 . . . . . 76 Val CB . 17446 1 55 . 1 1 9 9 VAL N N 15 120.708 0.019 . 1 . . . . . 76 Val N . 17446 1 56 . 1 1 10 10 GLN H H 1 8.405 0.004 . 1 . . . . . 77 Gln H . 17446 1 57 . 1 1 10 10 GLN HA H 1 4.544 0.001 . 1 . . . . . 77 Gln HA . 17446 1 58 . 1 1 10 10 GLN HB2 H 1 1.825 0.001 . 2 . . . . . 77 Gln HB2 . 17446 1 59 . 1 1 10 10 GLN HB3 H 1 1.991 0.001 . 2 . . . . . 77 Gln HB3 . 17446 1 60 . 1 1 10 10 GLN C C 13 173.860 0.001 . 1 . . . . . 77 Gln C . 17446 1 61 . 1 1 10 10 GLN CA C 13 53.264 0.001 . 1 . . . . . 77 Gln CA . 17446 1 62 . 1 1 10 10 GLN CB C 13 28.870 0.001 . 1 . . . . . 77 Gln CB . 17446 1 63 . 1 1 10 10 GLN N N 15 125.363 0.019 . 1 . . . . . 77 Gln N . 17446 1 64 . 1 1 11 11 PRO HA H 1 4.307 0.001 . 1 . . . . . 78 Pro HA . 17446 1 65 . 1 1 11 11 PRO HB2 H 1 2.184 0.001 . 2 . . . . . 78 Pro HB2 . 17446 1 66 . 1 1 11 11 PRO HB3 H 1 1.834 0.001 . 2 . . . . . 78 Pro HB3 . 17446 1 67 . 1 1 11 11 PRO C C 13 177.210 0.001 . 1 . . . . . 78 Pro C . 17446 1 68 . 1 1 11 11 PRO CA C 13 63.164 0.001 . 1 . . . . . 78 Pro CA . 17446 1 69 . 1 1 11 11 PRO CB C 13 32.066 0.001 . 1 . . . . . 78 Pro CB . 17446 1 70 . 1 1 12 12 GLY H H 1 8.315 0.003 . 1 . . . . . 79 Gly H . 17446 1 71 . 1 1 12 12 GLY HA2 H 1 3.817 0.001 . 2 . . . . . 79 Gly HA2 . 17446 1 72 . 1 1 12 12 GLY HA3 H 1 3.781 0.008 . 2 . . . . . 79 Gly HA3 . 17446 1 73 . 1 1 12 12 GLY C C 13 173.405 0.001 . 1 . . . . . 79 Gly C . 17446 1 74 . 1 1 12 12 GLY CA C 13 44.867 0.002 . 1 . . . . . 79 Gly CA . 17446 1 75 . 1 1 12 12 GLY N N 15 108.825 0.013 . 1 . . . . . 79 Gly N . 17446 1 76 . 1 1 13 13 ASN H H 1 8.167 0.003 . 1 . . . . . 80 Asn H . 17446 1 77 . 1 1 13 13 ASN HA H 1 4.732 0.001 . 1 . . . . . 80 Asn HA . 17446 1 78 . 1 1 13 13 ASN HB2 H 1 2.332 0.001 . 2 . . . . . 80 Asn HB2 . 17446 1 79 . 1 1 13 13 ASN HB3 H 1 2.162 0.001 . 2 . . . . . 80 Asn HB3 . 17446 1 80 . 1 1 13 13 ASN C C 13 174.107 0.001 . 1 . . . . . 80 Asn C . 17446 1 81 . 1 1 13 13 ASN CA C 13 50.997 0.001 . 1 . . . . . 80 Asn CA . 17446 1 82 . 1 1 13 13 ASN CB C 13 38.492 0.001 . 1 . . . . . 80 Asn CB . 17446 1 83 . 1 1 13 13 ASN N N 15 119.053 0.016 . 1 . . . . . 80 Asn N . 17446 1 84 . 1 1 14 14 PRO C C 13 176.669 0.001 . 1 . . . . . 81 Pro C . 17446 1 85 . 1 1 14 14 PRO CA C 13 63.935 0.001 . 1 . . . . . 81 Pro CA . 17446 1 86 . 1 1 14 14 PRO CB C 13 31.633 0.001 . 1 . . . . . 81 Pro CB . 17446 1 87 . 1 1 15 15 TRP H H 1 7.577 0.003 . 1 . . . . . 82 Trp H . 17446 1 88 . 1 1 15 15 TRP HA H 1 4.580 0.001 . 1 . . . . . 82 Trp HA . 17446 1 89 . 1 1 15 15 TRP HB2 H 1 3.209 0.001 . 2 . . . . . 82 Trp HB2 . 17446 1 90 . 1 1 15 15 TRP HB3 H 1 3.231 0.001 . 2 . . . . . 82 Trp HB3 . 17446 1 91 . 1 1 15 15 TRP C C 13 176.329 0.002 . 1 . . . . . 82 Trp C . 17446 1 92 . 1 1 15 15 TRP CA C 13 57.417 0.008 . 1 . . . . . 82 Trp CA . 17446 1 93 . 1 1 15 15 TRP CB C 13 28.707 0.007 . 1 . . . . . 82 Trp CB . 17446 1 94 . 1 1 15 15 TRP N N 15 118.021 0.007 . 1 . . . . . 82 Trp N . 17446 1 95 . 1 1 16 16 GLU H H 1 7.693 0.002 . 1 . . . . . 83 Glu H . 17446 1 96 . 1 1 16 16 GLU HA H 1 4.193 0.001 . 1 . . . . . 83 Glu HA . 17446 1 97 . 1 1 16 16 GLU HB2 H 1 1.928 0.001 . 2 . . . . . 83 Glu HB2 . 17446 1 98 . 1 1 16 16 GLU HB3 H 1 1.774 0.001 . 2 . . . . . 83 Glu HB3 . 17446 1 99 . 1 1 16 16 GLU C C 13 176.298 0.003 . 1 . . . . . 83 Glu C . 17446 1 100 . 1 1 16 16 GLU CA C 13 56.454 0.005 . 1 . . . . . 83 Glu CA . 17446 1 101 . 1 1 16 16 GLU CB C 13 30.335 0.017 . 1 . . . . . 83 Glu CB . 17446 1 102 . 1 1 16 16 GLU N N 15 121.765 0.014 . 1 . . . . . 83 Glu N . 17446 1 103 . 1 1 17 17 SER H H 1 8.083 0.004 . 1 . . . . . 84 Ser H . 17446 1 104 . 1 1 17 17 SER HA H 1 4.262 0.001 . 1 . . . . . 84 Ser HA . 17446 1 105 . 1 1 17 17 SER HB2 H 1 3.789 0.001 . 2 . . . . . 84 Ser HB2 . 17446 1 106 . 1 1 17 17 SER HB3 H 1 3.751 0.001 . 2 . . . . . 84 Ser HB3 . 17446 1 107 . 1 1 17 17 SER C C 13 175.204 0.003 . 1 . . . . . 84 Ser C . 17446 1 108 . 1 1 17 17 SER CA C 13 58.720 0.002 . 1 . . . . . 84 Ser CA . 17446 1 109 . 1 1 17 17 SER CB C 13 63.738 0.001 . 1 . . . . . 84 Ser CB . 17446 1 110 . 1 1 17 17 SER N N 15 116.238 0.014 . 1 . . . . . 84 Ser N . 17446 1 111 . 1 1 18 18 GLY H H 1 8.323 0.003 . 1 . . . . . 85 Gly H . 17446 1 112 . 1 1 18 18 GLY HA3 H 1 3.905 0.001 . 1 . . . . . 85 Gly HA3 . 17446 1 113 . 1 1 18 18 GLY C C 13 174.301 0.002 . 1 . . . . . 85 Gly C . 17446 1 114 . 1 1 18 18 GLY CA C 13 45.406 0.005 . 1 . . . . . 85 Gly CA . 17446 1 115 . 1 1 18 18 GLY N N 15 110.900 0.023 . 1 . . . . . 85 Gly N . 17446 1 116 . 1 1 19 19 SER H H 1 8.083 0.004 . 1 . . . . . 86 Ser H . 17446 1 117 . 1 1 19 19 SER HA H 1 4.353 0.001 . 1 . . . . . 86 Ser HA . 17446 1 118 . 1 1 19 19 SER HB3 H 1 3.762 0.001 . 2 . . . . . 86 Ser HB3 . 17446 1 119 . 1 1 19 19 SER C C 13 174.665 0.004 . 1 . . . . . 86 Ser C . 17446 1 120 . 1 1 19 19 SER CA C 13 58.388 0.025 . 1 . . . . . 86 Ser CA . 17446 1 121 . 1 1 19 19 SER CB C 13 63.786 0.003 . 1 . . . . . 86 Ser CB . 17446 1 122 . 1 1 19 19 SER N N 15 115.480 0.014 . 1 . . . . . 86 Ser N . 17446 1 123 . 1 1 20 20 LEU H H 1 8.199 0.003 . 1 . . . . . 87 Leu H . 17446 1 124 . 1 1 20 20 LEU HA H 1 4.295 0.001 . 1 . . . . . 87 Leu HA . 17446 1 125 . 1 1 20 20 LEU HB3 H 1 1.536 0.001 . 2 . . . . . 87 Leu HB3 . 17446 1 126 . 1 1 20 20 LEU C C 13 177.582 0.003 . 1 . . . . . 87 Leu C . 17446 1 127 . 1 1 20 20 LEU CA C 13 55.283 0.015 . 1 . . . . . 87 Leu CA . 17446 1 128 . 1 1 20 20 LEU CB C 13 42.184 0.018 . 1 . . . . . 87 Leu CB . 17446 1 129 . 1 1 20 20 LEU N N 15 123.719 0.019 . 1 . . . . . 87 Leu N . 17446 1 130 . 1 1 21 21 SER H H 1 8.175 0.002 . 1 . . . . . 88 Ser H . 17446 1 131 . 1 1 21 21 SER HA H 1 4.355 0.001 . 1 . . . . . 88 Ser HA . 17446 1 132 . 1 1 21 21 SER HB2 H 1 3.757 0.001 . 2 . . . . . 88 Ser HB2 . 17446 1 133 . 1 1 21 21 SER HB3 H 1 3.786 0.001 . 2 . . . . . 88 Ser HB3 . 17446 1 134 . 1 1 21 21 SER C C 13 174.725 0.005 . 1 . . . . . 88 Ser C . 17446 1 135 . 1 1 21 21 SER CA C 13 58.409 0.001 . 1 . . . . . 88 Ser CA . 17446 1 136 . 1 1 21 21 SER CB C 13 63.708 0.001 . 1 . . . . . 88 Ser CB . 17446 1 137 . 1 1 21 21 SER N N 15 116.209 0.033 . 1 . . . . . 88 Ser N . 17446 1 138 . 1 1 22 22 SER H H 1 8.188 0.004 . 1 . . . . . 89 Ser H . 17446 1 139 . 1 1 22 22 SER HA H 1 4.345 0.001 . 1 . . . . . 89 Ser HA . 17446 1 140 . 1 1 22 22 SER HB2 H 1 3.817 0.001 . 2 . . . . . 89 Ser HB2 . 17446 1 141 . 1 1 22 22 SER HB3 H 1 3.760 0.001 . 2 . . . . . 89 Ser HB3 . 17446 1 142 . 1 1 22 22 SER C C 13 174.217 0.001 . 1 . . . . . 89 Ser C . 17446 1 143 . 1 1 22 22 SER CA C 13 58.432 0.001 . 1 . . . . . 89 Ser CA . 17446 1 144 . 1 1 22 22 SER CB C 13 63.703 0.001 . 1 . . . . . 89 Ser CB . 17446 1 145 . 1 1 22 22 SER N N 15 117.740 0.017 . 1 . . . . . 89 Ser N . 17446 1 146 . 1 1 23 23 ALA H H 1 8.105 0.002 . 1 . . . . . 90 Ala H . 17446 1 147 . 1 1 23 23 ALA HA H 1 4.221 0.001 . 1 . . . . . 90 Ala HA . 17446 1 148 . 1 1 23 23 ALA HB1 H 1 1.287 0.001 . 1 . . . . . 90 Ala HB1 . 17446 1 149 . 1 1 23 23 ALA HB2 H 1 1.287 0.001 . 1 . . . . . 90 Ala HB2 . 17446 1 150 . 1 1 23 23 ALA HB3 H 1 1.287 0.001 . 1 . . . . . 90 Ala HB3 . 17446 1 151 . 1 1 23 23 ALA C C 13 177.290 0.002 . 1 . . . . . 90 Ala C . 17446 1 152 . 1 1 23 23 ALA CA C 13 52.446 0.005 . 1 . . . . . 90 Ala CA . 17446 1 153 . 1 1 23 23 ALA CB C 13 19.149 0.008 . 1 . . . . . 90 Ala CB . 17446 1 154 . 1 1 23 23 ALA N N 15 125.519 0.010 . 1 . . . . . 90 Ala N . 17446 1 155 . 1 1 24 24 ALA H H 1 8.053 0.003 . 1 . . . . . 91 Ala H . 17446 1 156 . 1 1 24 24 ALA HA H 1 4.219 0.001 . 1 . . . . . 91 Ala HA . 17446 1 157 . 1 1 24 24 ALA HB1 H 1 1.282 0.001 . 1 . . . . . 91 Ala HB1 . 17446 1 158 . 1 1 24 24 ALA HB2 H 1 1.282 0.001 . 1 . . . . . 91 Ala HB2 . 17446 1 159 . 1 1 24 24 ALA HB3 H 1 1.282 0.001 . 1 . . . . . 91 Ala HB3 . 17446 1 160 . 1 1 24 24 ALA C C 13 177.697 0.001 . 1 . . . . . 91 Ala C . 17446 1 161 . 1 1 24 24 ALA CA C 13 52.436 0.001 . 1 . . . . . 91 Ala CA . 17446 1 162 . 1 1 24 24 ALA CB C 13 19.097 0.001 . 1 . . . . . 91 Ala CB . 17446 1 163 . 1 1 24 24 ALA N N 15 123.019 0.010 . 1 . . . . . 91 Ala N . 17446 1 164 . 1 1 25 25 VAL H H 1 7.996 0.004 . 1 . . . . . 92 Val H . 17446 1 165 . 1 1 25 25 VAL HA H 1 4.092 0.001 . 1 . . . . . 92 Val HA . 17446 1 166 . 1 1 25 25 VAL HB H 1 2.008 0.001 . 1 . . . . . 92 Val HB . 17446 1 167 . 1 1 25 25 VAL C C 13 176.438 0.003 . 1 . . . . . 92 Val C . 17446 1 168 . 1 1 25 25 VAL CA C 13 62.240 0.018 . 1 . . . . . 92 Val CA . 17446 1 169 . 1 1 25 25 VAL CB C 13 32.685 0.008 . 1 . . . . . 92 Val CB . 17446 1 170 . 1 1 25 25 VAL N N 15 119.263 0.028 . 1 . . . . . 92 Val N . 17446 1 171 . 1 1 26 26 THR H H 1 8.144 0.003 . 1 . . . . . 93 Thr H . 17446 1 172 . 1 1 26 26 THR HA H 1 4.341 0.001 . 1 . . . . . 93 Thr HA . 17446 1 173 . 1 1 26 26 THR HB H 1 4.183 0.001 . 1 . . . . . 93 Thr HB . 17446 1 174 . 1 1 26 26 THR C C 13 174.561 0.001 . 1 . . . . . 93 Thr C . 17446 1 175 . 1 1 26 26 THR CA C 13 61.504 0.027 . 1 . . . . . 93 Thr CA . 17446 1 176 . 1 1 26 26 THR CB C 13 69.897 0.028 . 1 . . . . . 93 Thr CB . 17446 1 177 . 1 1 26 26 THR N N 15 117.492 0.022 . 1 . . . . . 93 Thr N . 17446 1 178 . 1 1 27 27 SER H H 1 8.266 0.003 . 1 . . . . . 94 Ser H . 17446 1 179 . 1 1 27 27 SER HA H 1 4.355 0.001 . 1 . . . . . 94 Ser HA . 17446 1 180 . 1 1 27 27 SER HB2 H 1 3.756 0.001 . 2 . . . . . 94 Ser HB2 . 17446 1 181 . 1 1 27 27 SER HB3 H 1 3.803 0.001 . 2 . . . . . 94 Ser HB3 . 17446 1 182 . 1 1 27 27 SER C C 13 174.509 0.021 . 1 . . . . . 94 Ser C . 17446 1 183 . 1 1 27 27 SER CA C 13 58.513 0.036 . 1 . . . . . 94 Ser CA . 17446 1 184 . 1 1 27 27 SER CB C 13 63.765 0.021 . 1 . . . . . 94 Ser CB . 17446 1 185 . 1 1 27 27 SER N N 15 117.841 0.013 . 1 . . . . . 94 Ser N . 17446 1 186 . 1 1 28 28 GLU H H 1 8.358 0.002 . 1 . . . . . 95 Glu H . 17446 1 187 . 1 1 28 28 GLU HA H 1 4.228 0.001 . 1 . . . . . 95 Glu HA . 17446 1 188 . 1 1 28 28 GLU HB2 H 1 1.977 0.001 . 2 . . . . . 95 Glu HB2 . 17446 1 189 . 1 1 28 28 GLU HB3 H 1 1.838 0.001 . 2 . . . . . 95 Glu HB3 . 17446 1 190 . 1 1 28 28 GLU C C 13 176.281 0.004 . 1 . . . . . 95 Glu C . 17446 1 191 . 1 1 28 28 GLU CA C 13 56.671 0.016 . 1 . . . . . 95 Glu CA . 17446 1 192 . 1 1 28 28 GLU CB C 13 30.224 0.011 . 1 . . . . . 95 Glu CB . 17446 1 193 . 1 1 28 28 GLU N N 15 122.477 0.009 . 1 . . . . . 95 Glu N . 17446 1 194 . 1 1 29 29 SER H H 1 8.178 0.003 . 1 . . . . . 96 Ser H . 17446 1 195 . 1 1 29 29 SER HA H 1 4.355 0.001 . 1 . . . . . 96 Ser HA . 17446 1 196 . 1 1 29 29 SER HB3 H 1 3.741 0.002 . 2 . . . . . 96 Ser HB3 . 17446 1 197 . 1 1 29 29 SER C C 13 173.933 0.003 . 1 . . . . . 96 Ser C . 17446 1 198 . 1 1 29 29 SER CA C 13 58.222 0.026 . 1 . . . . . 96 Ser CA . 17446 1 199 . 1 1 29 29 SER CB C 13 63.742 0.007 . 1 . . . . . 96 Ser CB . 17446 1 200 . 1 1 29 29 SER N N 15 116.565 0.080 . 1 . . . . . 96 Ser N . 17446 1 201 . 1 1 30 30 LEU H H 1 8.135 0.004 . 1 . . . . . 97 Leu H . 17446 1 202 . 1 1 30 30 LEU HA H 1 4.550 0.001 . 1 . . . . . 97 Leu HA . 17446 1 203 . 1 1 30 30 LEU HB3 H 1 1.484 0.001 . 2 . . . . . 97 Leu HB3 . 17446 1 204 . 1 1 30 30 LEU C C 13 175.251 0.001 . 1 . . . . . 97 Leu C . 17446 1 205 . 1 1 30 30 LEU CA C 13 53.018 0.001 . 1 . . . . . 97 Leu CA . 17446 1 206 . 1 1 30 30 LEU CB C 13 41.708 0.001 . 1 . . . . . 97 Leu CB . 17446 1 207 . 1 1 30 30 LEU N N 15 125.104 0.017 . 1 . . . . . 97 Leu N . 17446 1 208 . 1 1 31 31 PRO HA H 1 4.323 0.001 . 1 . . . . . 98 Pro HA . 17446 1 209 . 1 1 31 31 PRO HB2 H 1 1.843 0.001 . 2 . . . . . 98 Pro HB2 . 17446 1 210 . 1 1 31 31 PRO HB3 H 1 2.207 0.001 . 2 . . . . . 98 Pro HB3 . 17446 1 211 . 1 1 31 31 PRO C C 13 177.656 0.001 . 1 . . . . . 98 Pro C . 17446 1 212 . 1 1 31 31 PRO CA C 13 63.471 0.001 . 1 . . . . . 98 Pro CA . 17446 1 213 . 1 1 31 31 PRO CB C 13 31.820 0.001 . 1 . . . . . 98 Pro CB . 17446 1 214 . 1 1 32 32 GLY H H 1 8.440 0.003 . 1 . . . . . 99 Gly H . 17446 1 215 . 1 1 32 32 GLY HA2 H 1 3.862 0.001 . 2 . . . . . 99 Gly HA2 . 17446 1 216 . 1 1 32 32 GLY HA3 H 1 3.862 0.001 . 2 . . . . . 99 Gly HA3 . 17446 1 217 . 1 1 32 32 GLY C C 13 174.809 0.001 . 1 . . . . . 99 Gly C . 17446 1 218 . 1 1 32 32 GLY CA C 13 45.322 0.002 . 1 . . . . . 99 Gly CA . 17446 1 219 . 1 1 32 32 GLY N N 15 109.585 0.011 . 1 . . . . . 99 Gly N . 17446 1 220 . 1 1 33 33 GLY H H 1 8.163 0.002 . 1 . . . . . 100 Gly H . 17446 1 221 . 1 1 33 33 GLY HA3 H 1 3.864 0.001 . 2 . . . . . 100 Gly HA3 . 17446 1 222 . 1 1 33 33 GLY C C 13 173.951 0.001 . 1 . . . . . 100 Gly C . 17446 1 223 . 1 1 33 33 GLY CA C 13 45.235 0.001 . 1 . . . . . 100 Gly CA . 17446 1 224 . 1 1 33 33 GLY N N 15 108.448 0.007 . 1 . . . . . 100 Gly N . 17446 1 225 . 1 1 34 34 LEU H H 1 7.961 0.003 . 1 . . . . . 101 Leu H . 17446 1 226 . 1 1 34 34 LEU HA H 1 4.313 0.002 . 1 . . . . . 101 Leu HA . 17446 1 227 . 1 1 34 34 LEU HB3 H 1 1.511 0.002 . 2 . . . . . 101 Leu HB3 . 17446 1 228 . 1 1 34 34 LEU C C 13 177.139 0.001 . 1 . . . . . 101 Leu C . 17446 1 229 . 1 1 34 34 LEU CA C 13 54.884 0.020 . 1 . . . . . 101 Leu CA . 17446 1 230 . 1 1 34 34 LEU CB C 13 42.586 0.001 . 1 . . . . . 101 Leu CB . 17446 1 231 . 1 1 34 34 LEU N N 15 121.191 0.008 . 1 . . . . . 101 Leu N . 17446 1 232 . 1 1 35 35 SER H H 1 8.239 0.003 . 1 . . . . . 102 Ser H . 17446 1 233 . 1 1 35 35 SER HA H 1 4.649 0.001 . 1 . . . . . 102 Ser HA . 17446 1 234 . 1 1 35 35 SER HB2 H 1 3.660 0.001 . 2 . . . . . 102 Ser HB2 . 17446 1 235 . 1 1 35 35 SER HB3 H 1 3.786 0.001 . 2 . . . . . 102 Ser HB3 . 17446 1 236 . 1 1 35 35 SER C C 13 171.849 0.001 . 1 . . . . . 102 Ser C . 17446 1 237 . 1 1 35 35 SER CA C 13 56.478 0.001 . 1 . . . . . 102 Ser CA . 17446 1 238 . 1 1 35 35 SER CB C 13 63.137 0.001 . 1 . . . . . 102 Ser CB . 17446 1 239 . 1 1 35 35 SER N N 15 118.217 0.014 . 1 . . . . . 102 Ser N . 17446 1 240 . 1 1 37 37 PRO HA H 1 4.359 0.001 . 1 . . . . . 104 Pro HA . 17446 1 241 . 1 1 37 37 PRO HB2 H 1 1.809 0.001 . 2 . . . . . 104 Pro HB2 . 17446 1 242 . 1 1 37 37 PRO HB3 H 1 2.179 0.001 . 2 . . . . . 104 Pro HB3 . 17446 1 243 . 1 1 37 37 PRO C C 13 176.828 0.001 . 1 . . . . . 104 Pro C . 17446 1 244 . 1 1 37 37 PRO CA C 13 62.838 0.001 . 1 . . . . . 104 Pro CA . 17446 1 245 . 1 1 37 37 PRO CB C 13 31.821 0.001 . 1 . . . . . 104 Pro CB . 17446 1 246 . 1 1 38 38 VAL H H 1 8.105 0.004 . 1 . . . . . 105 Val H . 17446 1 247 . 1 1 38 38 VAL HA H 1 3.953 0.001 . 1 . . . . . 105 Val HA . 17446 1 248 . 1 1 38 38 VAL HB H 1 1.942 0.001 . 1 . . . . . 105 Val HB . 17446 1 249 . 1 1 38 38 VAL C C 13 176.217 0.002 . 1 . . . . . 105 Val C . 17446 1 250 . 1 1 38 38 VAL CA C 13 62.281 0.036 . 1 . . . . . 105 Val CA . 17446 1 251 . 1 1 38 38 VAL CB C 13 32.781 0.055 . 1 . . . . . 105 Val CB . 17446 1 252 . 1 1 38 38 VAL N N 15 120.217 0.025 . 1 . . . . . 105 Val N . 17446 1 253 . 1 1 39 39 GLU H H 1 8.381 0.003 . 1 . . . . . 106 Glu H . 17446 1 254 . 1 1 39 39 GLU HA H 1 4.143 0.001 . 1 . . . . . 106 Glu HA . 17446 1 255 . 1 1 39 39 GLU HB2 H 1 1.856 0.001 . 2 . . . . . 106 Glu HB2 . 17446 1 256 . 1 1 39 39 GLU HB3 H 1 1.790 0.001 . 2 . . . . . 106 Glu HB3 . 17446 1 257 . 1 1 39 39 GLU C C 13 176.126 0.001 . 1 . . . . . 106 Glu C . 17446 1 258 . 1 1 39 39 GLU CA C 13 56.476 0.001 . 1 . . . . . 106 Glu CA . 17446 1 259 . 1 1 39 39 GLU CB C 13 30.187 0.001 . 1 . . . . . 106 Glu CB . 17446 1 260 . 1 1 39 39 GLU N N 15 124.724 0.022 . 1 . . . . . 106 Glu N . 17446 1 261 . 1 1 40 40 LYS H H 1 8.160 0.004 . 1 . . . . . 107 Lys H . 17446 1 262 . 1 1 40 40 LYS HA H 1 4.097 0.001 . 1 . . . . . 107 Lys HA . 17446 1 263 . 1 1 40 40 LYS HB3 H 1 1.561 0.001 . 2 . . . . . 107 Lys HB3 . 17446 1 264 . 1 1 40 40 LYS C C 13 176.063 0.001 . 1 . . . . . 107 Lys C . 17446 1 265 . 1 1 40 40 LYS CA C 13 56.401 0.001 . 1 . . . . . 107 Lys CA . 17446 1 266 . 1 1 40 40 LYS CB C 13 33.024 0.001 . 1 . . . . . 107 Lys CB . 17446 1 267 . 1 1 40 40 LYS N N 15 122.310 0.013 . 1 . . . . . 107 Lys N . 17446 1 268 . 1 1 41 41 TYR H H 1 8.061 0.004 . 1 . . . . . 108 Tyr H . 17446 1 269 . 1 1 41 41 TYR HA H 1 4.408 0.001 . 1 . . . . . 108 Tyr HA . 17446 1 270 . 1 1 41 41 TYR HB3 H 1 2.822 0.001 . 2 . . . . . 108 Tyr HB3 . 17446 1 271 . 1 1 41 41 TYR C C 13 175.383 0.013 . 1 . . . . . 108 Tyr C . 17446 1 272 . 1 1 41 41 TYR CA C 13 57.736 0.029 . 1 . . . . . 108 Tyr CA . 17446 1 273 . 1 1 41 41 TYR CB C 13 38.609 0.017 . 1 . . . . . 108 Tyr CB . 17446 1 274 . 1 1 41 41 TYR N N 15 120.920 0.017 . 1 . . . . . 108 Tyr N . 17446 1 275 . 1 1 42 42 ARG H H 1 7.947 0.003 . 1 . . . . . 109 Arg H . 17446 1 276 . 1 1 42 42 ARG HA H 1 4.148 0.001 . 1 . . . . . 109 Arg HA . 17446 1 277 . 1 1 42 42 ARG HB2 H 1 1.560 0.001 . 2 . . . . . 109 Arg HB2 . 17446 1 278 . 1 1 42 42 ARG HB3 H 1 1.505 0.001 . 2 . . . . . 109 Arg HB3 . 17446 1 279 . 1 1 42 42 ARG C C 13 175.429 0.001 . 1 . . . . . 109 Arg C . 17446 1 280 . 1 1 42 42 ARG CA C 13 55.704 0.007 . 1 . . . . . 109 Arg CA . 17446 1 281 . 1 1 42 42 ARG CB C 13 30.824 0.014 . 1 . . . . . 109 Arg CB . 17446 1 282 . 1 1 42 42 ARG N N 15 123.144 0.024 . 1 . . . . . 109 Arg N . 17446 1 283 . 1 1 43 43 TYR H H 1 8.014 0.003 . 1 . . . . . 110 Tyr H . 17446 1 284 . 1 1 43 43 TYR HA H 1 4.404 0.001 . 1 . . . . . 110 Tyr HA . 17446 1 285 . 1 1 43 43 TYR HB2 H 1 2.950 0.001 . 2 . . . . . 110 Tyr HB2 . 17446 1 286 . 1 1 43 43 TYR HB3 H 1 2.847 0.001 . 2 . . . . . 110 Tyr HB3 . 17446 1 287 . 1 1 43 43 TYR C C 13 175.709 0.001 . 1 . . . . . 110 Tyr C . 17446 1 288 . 1 1 43 43 TYR CA C 13 58.035 0.046 . 1 . . . . . 110 Tyr CA . 17446 1 289 . 1 1 43 43 TYR CB C 13 38.484 0.003 . 1 . . . . . 110 Tyr CB . 17446 1 290 . 1 1 43 43 TYR N N 15 121.444 0.017 . 1 . . . . . 110 Tyr N . 17446 1 291 . 1 1 44 44 GLN H H 1 8.165 0.003 . 1 . . . . . 111 Gln H . 17446 1 292 . 1 1 44 44 GLN HA H 1 4.172 0.001 . 1 . . . . . 111 Gln HA . 17446 1 293 . 1 1 44 44 GLN HB3 H 1 1.838 0.001 . 2 . . . . . 111 Gln HB3 . 17446 1 294 . 1 1 44 44 GLN C C 13 175.230 0.001 . 1 . . . . . 111 Gln C . 17446 1 295 . 1 1 44 44 GLN CA C 13 55.873 0.012 . 1 . . . . . 111 Gln CA . 17446 1 296 . 1 1 44 44 GLN CB C 13 29.558 0.004 . 1 . . . . . 111 Gln CB . 17446 1 297 . 1 1 44 44 GLN N N 15 121.627 0.032 . 1 . . . . . 111 Gln N . 17446 1 298 . 1 1 45 45 ASP H H 1 8.172 0.002 . 1 . . . . . 112 Asp H . 17446 1 299 . 1 1 45 45 ASP HA H 1 4.450 0.001 . 1 . . . . . 112 Asp HA . 17446 1 300 . 1 1 45 45 ASP HB2 H 1 2.511 0.001 . 2 . . . . . 112 Asp HB2 . 17446 1 301 . 1 1 45 45 ASP HB3 H 1 2.630 0.001 . 2 . . . . . 112 Asp HB3 . 17446 1 302 . 1 1 45 45 ASP C C 13 176.088 0.003 . 1 . . . . . 112 Asp C . 17446 1 303 . 1 1 45 45 ASP CA C 13 54.666 0.006 . 1 . . . . . 112 Asp CA . 17446 1 304 . 1 1 45 45 ASP CB C 13 41.057 0.005 . 1 . . . . . 112 Asp CB . 17446 1 305 . 1 1 45 45 ASP N N 15 121.275 0.009 . 1 . . . . . 112 Asp N . 17446 1 306 . 1 1 46 46 GLU H H 1 8.181 0.002 . 1 . . . . . 113 Glu H . 17446 1 307 . 1 1 46 46 GLU HA H 1 4.159 0.001 . 1 . . . . . 113 Glu HA . 17446 1 308 . 1 1 46 46 GLU HB2 H 1 1.966 0.001 . 2 . . . . . 113 Glu HB2 . 17446 1 309 . 1 1 46 46 GLU HB3 H 1 1.836 0.001 . 2 . . . . . 113 Glu HB3 . 17446 1 310 . 1 1 46 46 GLU C C 13 176.258 0.002 . 1 . . . . . 113 Glu C . 17446 1 311 . 1 1 46 46 GLU CA C 13 56.584 0.001 . 1 . . . . . 113 Glu CA . 17446 1 312 . 1 1 46 46 GLU CB C 13 30.366 0.013 . 1 . . . . . 113 Glu CB . 17446 1 313 . 1 1 46 46 GLU N N 15 120.386 0.023 . 1 . . . . . 113 Glu N . 17446 1 314 . 1 1 47 47 GLU H H 1 8.283 0.001 . 1 . . . . . 114 Glu H . 17446 1 315 . 1 1 47 47 GLU HA H 1 4.166 0.001 . 1 . . . . . 114 Glu HA . 17446 1 316 . 1 1 47 47 GLU HB2 H 1 1.843 0.001 . 2 . . . . . 114 Glu HB2 . 17446 1 317 . 1 1 47 47 GLU HB3 H 1 1.915 0.001 . 2 . . . . . 114 Glu HB3 . 17446 1 318 . 1 1 47 47 GLU C C 13 176.073 0.001 . 1 . . . . . 114 Glu C . 17446 1 319 . 1 1 47 47 GLU CA C 13 56.488 0.001 . 1 . . . . . 114 Glu CA . 17446 1 320 . 1 1 47 47 GLU CB C 13 30.292 0.001 . 1 . . . . . 114 Glu CB . 17446 1 321 . 1 1 47 47 GLU N N 15 121.917 0.014 . 1 . . . . . 114 Glu N . 17446 1 322 . 1 1 48 48 VAL H H 1 8.038 0.003 . 1 . . . . . 115 Val H . 17446 1 323 . 1 1 48 48 VAL HA H 1 3.997 0.001 . 1 . . . . . 115 Val HA . 17446 1 324 . 1 1 48 48 VAL HB H 1 1.920 0.005 . 1 . . . . . 115 Val HB . 17446 1 325 . 1 1 48 48 VAL C C 13 175.814 0.001 . 1 . . . . . 115 Val C . 17446 1 326 . 1 1 48 48 VAL CA C 13 61.985 0.017 . 1 . . . . . 115 Val CA . 17446 1 327 . 1 1 48 48 VAL CB C 13 32.659 0.025 . 1 . . . . . 115 Val CB . 17446 1 328 . 1 1 48 48 VAL N N 15 121.986 0.031 . 1 . . . . . 115 Val N . 17446 1 329 . 1 1 49 49 LEU H H 1 8.340 0.004 . 1 . . . . . 116 Leu H . 17446 1 330 . 1 1 49 49 LEU HA H 1 4.522 0.001 . 1 . . . . . 116 Leu HA . 17446 1 331 . 1 1 49 49 LEU HB3 H 1 1.477 0.001 . 2 . . . . . 116 Leu HB3 . 17446 1 332 . 1 1 49 49 LEU C C 13 175.342 0.001 . 1 . . . . . 116 Leu C . 17446 1 333 . 1 1 49 49 LEU CA C 13 52.879 0.001 . 1 . . . . . 116 Leu CA . 17446 1 334 . 1 1 49 49 LEU CB C 13 41.627 0.001 . 1 . . . . . 116 Leu CB . 17446 1 335 . 1 1 49 49 LEU N N 15 127.789 0.021 . 1 . . . . . 116 Leu N . 17446 1 336 . 1 1 50 50 PRO HA H 1 4.299 0.001 . 1 . . . . . 117 Pro HA . 17446 1 337 . 1 1 50 50 PRO HB2 H 1 2.230 0.001 . 2 . . . . . 117 Pro HB2 . 17446 1 338 . 1 1 50 50 PRO HB3 H 1 1.855 0.001 . 2 . . . . . 117 Pro HB3 . 17446 1 339 . 1 1 50 50 PRO C C 13 177.231 0.001 . 1 . . . . . 117 Pro C . 17446 1 340 . 1 1 50 50 PRO CA C 13 63.435 0.001 . 1 . . . . . 117 Pro CA . 17446 1 341 . 1 1 50 50 PRO CB C 13 31.939 0.001 . 1 . . . . . 117 Pro CB . 17446 1 342 . 1 1 51 51 SER H H 1 8.184 0.003 . 1 . . . . . 118 Ser H . 17446 1 343 . 1 1 51 51 SER HA H 1 4.253 0.001 . 1 . . . . . 118 Ser HA . 17446 1 344 . 1 1 51 51 SER HB2 H 1 3.752 0.001 . 2 . . . . . 118 Ser HB2 . 17446 1 345 . 1 1 51 51 SER HB3 H 1 3.815 0.001 . 2 . . . . . 118 Ser HB3 . 17446 1 346 . 1 1 51 51 SER C C 13 174.781 0.001 . 1 . . . . . 118 Ser C . 17446 1 347 . 1 1 51 51 SER CA C 13 58.765 0.018 . 1 . . . . . 118 Ser CA . 17446 1 348 . 1 1 51 51 SER CB C 13 63.565 0.011 . 1 . . . . . 118 Ser CB . 17446 1 349 . 1 1 51 51 SER N N 15 114.973 0.012 . 1 . . . . . 118 Ser N . 17446 1 350 . 1 1 52 52 GLU H H 1 8.294 0.001 . 1 . . . . . 119 Glu H . 17446 1 351 . 1 1 52 52 GLU HA H 1 4.216 0.001 . 1 . . . . . 119 Glu HA . 17446 1 352 . 1 1 52 52 GLU HB2 H 1 1.867 0.001 . 2 . . . . . 119 Glu HB2 . 17446 1 353 . 1 1 52 52 GLU HB3 H 1 1.973 0.001 . 2 . . . . . 119 Glu HB3 . 17446 1 354 . 1 1 52 52 GLU C C 13 176.186 0.004 . 1 . . . . . 119 Glu C . 17446 1 355 . 1 1 52 52 GLU CA C 13 56.510 0.013 . 1 . . . . . 119 Glu CA . 17446 1 356 . 1 1 52 52 GLU CB C 13 30.181 0.069 . 1 . . . . . 119 Glu CB . 17446 1 357 . 1 1 52 52 GLU N N 15 122.026 0.023 . 1 . . . . . 119 Glu N . 17446 1 358 . 1 1 53 53 ARG H H 1 8.076 0.002 . 1 . . . . . 120 Arg H . 17446 1 359 . 1 1 53 53 ARG HA H 1 4.235 0.001 . 1 . . . . . 120 Arg HA . 17446 1 360 . 1 1 53 53 ARG HB2 H 1 1.649 0.001 . 2 . . . . . 120 Arg HB2 . 17446 1 361 . 1 1 53 53 ARG HB3 H 1 1.743 0.001 . 2 . . . . . 120 Arg HB3 . 17446 1 362 . 1 1 53 53 ARG C C 13 175.923 0.002 . 1 . . . . . 120 Arg C . 17446 1 363 . 1 1 53 53 ARG CA C 13 56.010 0.049 . 1 . . . . . 120 Arg CA . 17446 1 364 . 1 1 53 53 ARG CB C 13 30.679 0.023 . 1 . . . . . 120 Arg CB . 17446 1 365 . 1 1 53 53 ARG N N 15 121.554 0.016 . 1 . . . . . 120 Arg N . 17446 1 366 . 1 1 54 54 ILE H H 1 8.065 0.005 . 1 . . . . . 121 Ile H . 17446 1 367 . 1 1 54 54 ILE HA H 1 4.102 0.001 . 1 . . . . . 121 Ile HA . 17446 1 368 . 1 1 54 54 ILE HB H 1 1.757 0.001 . 1 . . . . . 121 Ile HB . 17446 1 369 . 1 1 54 54 ILE C C 13 176.004 0.016 . 1 . . . . . 121 Ile C . 17446 1 370 . 1 1 54 54 ILE CA C 13 60.788 0.015 . 1 . . . . . 121 Ile CA . 17446 1 371 . 1 1 54 54 ILE CB C 13 38.714 0.020 . 1 . . . . . 121 Ile CB . 17446 1 372 . 1 1 54 54 ILE N N 15 122.291 0.019 . 1 . . . . . 121 Ile N . 17446 1 373 . 1 1 55 55 SER H H 1 8.347 0.003 . 1 . . . . . 122 Ser H . 17446 1 374 . 1 1 55 55 SER HA H 1 4.668 0.001 . 1 . . . . . 122 Ser HA . 17446 1 375 . 1 1 55 55 SER C C 13 172.444 0.001 . 1 . . . . . 122 Ser C . 17446 1 376 . 1 1 55 55 SER CA C 13 56.187 0.001 . 1 . . . . . 122 Ser CA . 17446 1 377 . 1 1 55 55 SER CB C 13 63.337 0.001 . 1 . . . . . 122 Ser CB . 17446 1 378 . 1 1 55 55 SER N N 15 121.595 0.033 . 1 . . . . . 122 Ser N . 17446 1 379 . 1 1 56 56 PRO HA H 1 4.220 0.001 . 1 . . . . . 123 Pro HA . 17446 1 380 . 1 1 56 56 PRO HB2 H 1 1.812 0.001 . 2 . . . . . 123 Pro HB2 . 17446 1 381 . 1 1 56 56 PRO HB3 H 1 2.194 0.001 . 2 . . . . . 123 Pro HB3 . 17446 1 382 . 1 1 56 56 PRO C C 13 176.664 0.001 . 1 . . . . . 123 Pro C . 17446 1 383 . 1 1 56 56 PRO CA C 13 63.067 0.001 . 1 . . . . . 123 Pro CA . 17446 1 384 . 1 1 56 56 PRO CB C 13 32.027 0.001 . 1 . . . . . 123 Pro CB . 17446 1 385 . 1 1 57 57 GLN H H 1 8.357 0.004 . 1 . . . . . 124 Gln H . 17446 1 386 . 1 1 57 57 GLN HA H 1 4.213 0.003 . 1 . . . . . 124 Gln HA . 17446 1 387 . 1 1 57 57 GLN HB2 H 1 1.849 0.002 . 2 . . . . . 124 Gln HB2 . 17446 1 388 . 1 1 57 57 GLN HB3 H 1 1.952 0.001 . 2 . . . . . 124 Gln HB3 . 17446 1 389 . 1 1 57 57 GLN C C 13 175.767 0.002 . 1 . . . . . 124 Gln C . 17446 1 390 . 1 1 57 57 GLN CA C 13 55.683 0.017 . 1 . . . . . 124 Gln CA . 17446 1 391 . 1 1 57 57 GLN CB C 13 29.443 0.026 . 1 . . . . . 124 Gln CB . 17446 1 392 . 1 1 57 57 GLN N N 15 120.807 0.038 . 1 . . . . . 124 Gln N . 17446 1 393 . 1 1 58 58 VAL H H 1 8.133 0.004 . 1 . . . . . 125 Val H . 17446 1 394 . 1 1 58 58 VAL HA H 1 4.336 0.001 . 1 . . . . . 125 Val HA . 17446 1 395 . 1 1 58 58 VAL HB H 1 1.983 0.001 . 1 . . . . . 125 Val HB . 17446 1 396 . 1 1 58 58 VAL C C 13 174.364 0.001 . 1 . . . . . 125 Val C . 17446 1 397 . 1 1 58 58 VAL CA C 13 59.756 0.001 . 1 . . . . . 125 Val CA . 17446 1 398 . 1 1 58 58 VAL CB C 13 32.533 0.001 . 1 . . . . . 125 Val CB . 17446 1 399 . 1 1 58 58 VAL N N 15 122.992 0.027 . 1 . . . . . 125 Val N . 17446 1 400 . 1 1 59 59 PRO HA H 1 4.296 0.001 . 1 . . . . . 126 Pro HA . 17446 1 401 . 1 1 59 59 PRO HB2 H 1 1.817 0.001 . 2 . . . . . 126 Pro HB2 . 17446 1 402 . 1 1 59 59 PRO HB3 H 1 2.203 0.001 . 2 . . . . . 126 Pro HB3 . 17446 1 403 . 1 1 59 59 PRO C C 13 176.581 0.001 . 1 . . . . . 126 Pro C . 17446 1 404 . 1 1 59 59 PRO CA C 13 63.202 0.001 . 1 . . . . . 126 Pro CA . 17446 1 405 . 1 1 59 59 PRO CB C 13 32.033 0.001 . 1 . . . . . 126 Pro CB . 17446 1 406 . 1 1 60 60 ASN H H 1 8.400 0.004 . 1 . . . . . 127 Asn H . 17446 1 407 . 1 1 60 60 ASN HA H 1 4.528 0.001 . 1 . . . . . 127 Asn HA . 17446 1 408 . 1 1 60 60 ASN HB2 H 1 2.674 0.001 . 2 . . . . . 127 Asn HB2 . 17446 1 409 . 1 1 60 60 ASN HB3 H 1 2.707 0.001 . 2 . . . . . 127 Asn HB3 . 17446 1 410 . 1 1 60 60 ASN C C 13 175.093 0.002 . 1 . . . . . 127 Asn C . 17446 1 411 . 1 1 60 60 ASN CA C 13 53.452 0.009 . 1 . . . . . 127 Asn CA . 17446 1 412 . 1 1 60 60 ASN CB C 13 38.814 0.002 . 1 . . . . . 127 Asn CB . 17446 1 413 . 1 1 60 60 ASN N N 15 118.808 0.015 . 1 . . . . . 127 Asn N . 17446 1 414 . 1 1 61 61 GLU H H 1 8.263 0.003 . 1 . . . . . 128 Glu H . 17446 1 415 . 1 1 61 61 GLU HA H 1 4.198 0.001 . 1 . . . . . 128 Glu HA . 17446 1 416 . 1 1 61 61 GLU HB2 H 1 1.824 0.001 . 2 . . . . . 128 Glu HB2 . 17446 1 417 . 1 1 61 61 GLU HB3 H 1 1.929 0.001 . 2 . . . . . 128 Glu HB3 . 17446 1 418 . 1 1 61 61 GLU C C 13 176.059 0.001 . 1 . . . . . 128 Glu C . 17446 1 419 . 1 1 61 61 GLU CA C 13 56.611 0.012 . 1 . . . . . 128 Glu CA . 17446 1 420 . 1 1 61 61 GLU CB C 13 30.372 0.002 . 1 . . . . . 128 Glu CB . 17446 1 421 . 1 1 61 61 GLU N N 15 121.168 0.029 . 1 . . . . . 128 Glu N . 17446 1 422 . 1 1 62 62 VAL H H 1 8.101 0.004 . 1 . . . . . 129 Val H . 17446 1 423 . 1 1 62 62 VAL HA H 1 3.981 0.001 . 1 . . . . . 129 Val HA . 17446 1 424 . 1 1 62 62 VAL HB H 1 1.962 0.001 . 1 . . . . . 129 Val HB . 17446 1 425 . 1 1 62 62 VAL C C 13 175.953 0.077 . 1 . . . . . 129 Val C . 17446 1 426 . 1 1 62 62 VAL CA C 13 62.369 0.012 . 1 . . . . . 129 Val CA . 17446 1 427 . 1 1 62 62 VAL CB C 13 32.505 0.031 . 1 . . . . . 129 Val CB . 17446 1 428 . 1 1 62 62 VAL N N 15 121.749 0.029 . 1 . . . . . 129 Val N . 17446 1 429 . 1 1 63 63 LEU H H 1 8.225 0.003 . 1 . . . . . 130 Leu H . 17446 1 430 . 1 1 63 63 LEU HA H 1 4.314 0.001 . 1 . . . . . 130 Leu HA . 17446 1 431 . 1 1 63 63 LEU HB2 H 1 1.571 0.001 . 2 . . . . . 130 Leu HB2 . 17446 1 432 . 1 1 63 63 LEU HB3 H 1 1.478 0.001 . 2 . . . . . 130 Leu HB3 . 17446 1 433 . 1 1 63 63 LEU C C 13 177.275 0.001 . 1 . . . . . 130 Leu C . 17446 1 434 . 1 1 63 63 LEU CA C 13 54.837 0.001 . 1 . . . . . 130 Leu CA . 17446 1 435 . 1 1 63 63 LEU CB C 13 42.519 0.003 . 1 . . . . . 130 Leu CB . 17446 1 436 . 1 1 63 63 LEU N N 15 126.214 0.019 . 1 . . . . . 130 Leu N . 17446 1 437 . 1 1 64 64 GLY H H 1 8.130 0.003 . 1 . . . . . 131 Gly H . 17446 1 438 . 1 1 64 64 GLY HA2 H 1 4.068 0.001 . 2 . . . . . 131 Gly HA2 . 17446 1 439 . 1 1 64 64 GLY HA3 H 1 3.915 0.001 . 2 . . . . . 131 Gly HA3 . 17446 1 440 . 1 1 64 64 GLY C C 13 171.910 0.001 . 1 . . . . . 131 Gly C . 17446 1 441 . 1 1 64 64 GLY CA C 13 44.656 0.001 . 1 . . . . . 131 Gly CA . 17446 1 442 . 1 1 64 64 GLY N N 15 109.733 0.011 . 1 . . . . . 131 Gly N . 17446 1 443 . 1 1 65 65 PRO HA H 1 4.309 0.001 . 1 . . . . . 132 Pro HA . 17446 1 444 . 1 1 65 65 PRO HB2 H 1 2.171 0.001 . 2 . . . . . 132 Pro HB2 . 17446 1 445 . 1 1 65 65 PRO HB3 H 1 1.835 0.001 . 2 . . . . . 132 Pro HB3 . 17446 1 446 . 1 1 65 65 PRO C C 13 177.094 0.001 . 1 . . . . . 132 Pro C . 17446 1 447 . 1 1 65 65 PRO CA C 13 63.298 0.001 . 1 . . . . . 132 Pro CA . 17446 1 448 . 1 1 65 65 PRO CB C 13 32.004 0.001 . 1 . . . . . 132 Pro CB . 17446 1 449 . 1 1 66 66 GLU H H 1 8.551 0.001 . 1 . . . . . 133 Glu H . 17446 1 450 . 1 1 66 66 GLU HA H 1 4.144 0.001 . 1 . . . . . 133 Glu HA . 17446 1 451 . 1 1 66 66 GLU HB2 H 1 1.933 0.001 . 2 . . . . . 133 Glu HB2 . 17446 1 452 . 1 1 66 66 GLU HB3 H 1 1.852 0.001 . 2 . . . . . 133 Glu HB3 . 17446 1 453 . 1 1 66 66 GLU C C 13 176.424 0.002 . 1 . . . . . 133 Glu C . 17446 1 454 . 1 1 66 66 GLU CA C 13 56.780 0.001 . 1 . . . . . 133 Glu CA . 17446 1 455 . 1 1 66 66 GLU CB C 13 29.723 0.001 . 1 . . . . . 133 Glu CB . 17446 1 456 . 1 1 66 66 GLU N N 15 120.286 0.015 . 1 . . . . . 133 Glu N . 17446 1 457 . 1 1 67 67 LEU H H 1 8.080 0.004 . 1 . . . . . 134 Leu H . 17446 1 458 . 1 1 67 67 LEU HA H 1 4.252 0.001 . 1 . . . . . 134 Leu HA . 17446 1 459 . 1 1 67 67 LEU HB2 H 1 1.535 0.001 . 2 . . . . . 134 Leu HB2 . 17446 1 460 . 1 1 67 67 LEU HB3 H 1 1.441 0.001 . 2 . . . . . 134 Leu HB3 . 17446 1 461 . 1 1 67 67 LEU C C 13 176.960 0.002 . 1 . . . . . 134 Leu C . 17446 1 462 . 1 1 67 67 LEU CA C 13 55.050 0.025 . 1 . . . . . 134 Leu CA . 17446 1 463 . 1 1 67 67 LEU CB C 13 42.271 0.007 . 1 . . . . . 134 Leu CB . 17446 1 464 . 1 1 67 67 LEU N N 15 123.107 0.019 . 1 . . . . . 134 Leu N . 17446 1 465 . 1 1 68 68 VAL H H 1 7.835 0.003 . 1 . . . . . 135 Val H . 17446 1 466 . 1 1 68 68 VAL HA H 1 3.944 0.001 . 1 . . . . . 135 Val HA . 17446 1 467 . 1 1 68 68 VAL HB H 1 1.891 0.001 . 1 . . . . . 135 Val HB . 17446 1 468 . 1 1 68 68 VAL C C 13 175.657 0.002 . 1 . . . . . 135 Val C . 17446 1 469 . 1 1 68 68 VAL CA C 13 62.255 0.014 . 1 . . . . . 135 Val CA . 17446 1 470 . 1 1 68 68 VAL CB C 13 32.750 0.019 . 1 . . . . . 135 Val CB . 17446 1 471 . 1 1 68 68 VAL N N 15 120.544 0.010 . 1 . . . . . 135 Val N . 17446 1 472 . 1 1 69 69 HIS H H 1 8.416 0.009 . 1 . . . . . 136 His H . 17446 1 473 . 1 1 69 69 HIS HA H 1 4.610 0.001 . 1 . . . . . 136 His HA . 17446 1 474 . 1 1 69 69 HIS HB2 H 1 2.990 0.001 . 2 . . . . . 136 His HB2 . 17446 1 475 . 1 1 69 69 HIS HB3 H 1 3.064 0.001 . 2 . . . . . 136 His HB3 . 17446 1 476 . 1 1 69 69 HIS C C 13 174.790 0.001 . 1 . . . . . 136 His C . 17446 1 477 . 1 1 69 69 HIS CA C 13 55.524 0.017 . 1 . . . . . 136 His CA . 17446 1 478 . 1 1 69 69 HIS CB C 13 29.775 0.026 . 1 . . . . . 136 His CB . 17446 1 479 . 1 1 69 69 HIS N N 15 123.237 0.017 . 1 . . . . . 136 His N . 17446 1 480 . 1 1 70 70 VAL H H 1 8.096 0.008 . 1 . . . . . 137 Val H . 17446 1 481 . 1 1 70 70 VAL HA H 1 4.017 0.001 . 1 . . . . . 137 Val HA . 17446 1 482 . 1 1 70 70 VAL HB H 1 1.952 0.001 . 1 . . . . . 137 Val HB . 17446 1 483 . 1 1 70 70 VAL C C 13 175.859 0.001 . 1 . . . . . 137 Val C . 17446 1 484 . 1 1 70 70 VAL CA C 13 62.288 0.034 . 1 . . . . . 137 Val CA . 17446 1 485 . 1 1 70 70 VAL CB C 13 32.788 0.022 . 1 . . . . . 137 Val CB . 17446 1 486 . 1 1 70 70 VAL N N 15 122.615 0.021 . 1 . . . . . 137 Val N . 17446 1 487 . 1 1 71 71 SER H H 1 8.360 0.005 . 1 . . . . . 138 Ser H . 17446 1 488 . 1 1 71 71 SER HA H 1 4.347 0.001 . 1 . . . . . 138 Ser HA . 17446 1 489 . 1 1 71 71 SER HB3 H 1 3.784 0.001 . 2 . . . . . 138 Ser HB3 . 17446 1 490 . 1 1 71 71 SER C C 13 174.539 0.004 . 1 . . . . . 138 Ser C . 17446 1 491 . 1 1 71 71 SER CA C 13 58.279 0.021 . 1 . . . . . 138 Ser CA . 17446 1 492 . 1 1 71 71 SER CB C 13 63.859 0.012 . 1 . . . . . 138 Ser CB . 17446 1 493 . 1 1 71 71 SER N N 15 119.553 0.024 . 1 . . . . . 138 Ser N . 17446 1 494 . 1 1 72 72 GLU H H 1 8.465 0.004 . 1 . . . . . 139 Glu H . 17446 1 495 . 1 1 72 72 GLU HA H 1 4.183 0.001 . 1 . . . . . 139 Glu HA . 17446 1 496 . 1 1 72 72 GLU HB2 H 1 1.977 0.001 . 2 . . . . . 139 Glu HB2 . 17446 1 497 . 1 1 72 72 GLU HB3 H 1 1.872 0.001 . 2 . . . . . 139 Glu HB3 . 17446 1 498 . 1 1 72 72 GLU C C 13 176.601 0.001 . 1 . . . . . 139 Glu C . 17446 1 499 . 1 1 72 72 GLU CA C 13 56.872 0.003 . 1 . . . . . 139 Glu CA . 17446 1 500 . 1 1 72 72 GLU CB C 13 30.112 0.025 . 1 . . . . . 139 Glu CB . 17446 1 501 . 1 1 72 72 GLU N N 15 123.441 0.023 . 1 . . . . . 139 Glu N . 17446 1 502 . 1 1 73 73 LYS H H 1 8.215 0.004 . 1 . . . . . 140 Lys H . 17446 1 503 . 1 1 73 73 LYS HA H 1 4.214 0.001 . 1 . . . . . 140 Lys HA . 17446 1 504 . 1 1 73 73 LYS HB2 H 1 1.655 0.001 . 2 . . . . . 140 Lys HB2 . 17446 1 505 . 1 1 73 73 LYS HB3 H 1 1.727 0.001 . 2 . . . . . 140 Lys HB3 . 17446 1 506 . 1 1 73 73 LYS C C 13 176.664 0.013 . 1 . . . . . 140 Lys C . 17446 1 507 . 1 1 73 73 LYS CA C 13 56.516 0.036 . 1 . . . . . 140 Lys CA . 17446 1 508 . 1 1 73 73 LYS CB C 13 33.029 0.002 . 1 . . . . . 140 Lys CB . 17446 1 509 . 1 1 73 73 LYS N N 15 121.976 0.017 . 1 . . . . . 140 Lys N . 17446 1 510 . 1 1 74 74 SER H H 1 8.279 0.003 . 1 . . . . . 141 Ser H . 17446 1 511 . 1 1 74 74 SER HA H 1 4.336 0.001 . 1 . . . . . 141 Ser HA . 17446 1 512 . 1 1 74 74 SER HB3 H 1 3.804 0.001 . 2 . . . . . 141 Ser HB3 . 17446 1 513 . 1 1 74 74 SER C C 13 174.860 0.002 . 1 . . . . . 141 Ser C . 17446 1 514 . 1 1 74 74 SER CA C 13 58.437 0.014 . 1 . . . . . 141 Ser CA . 17446 1 515 . 1 1 74 74 SER CB C 13 63.708 0.027 . 1 . . . . . 141 Ser CB . 17446 1 516 . 1 1 74 74 SER N N 15 117.077 0.017 . 1 . . . . . 141 Ser N . 17446 1 517 . 1 1 75 75 LEU H H 1 8.241 0.003 . 1 . . . . . 142 Leu H . 17446 1 518 . 1 1 75 75 LEU HA H 1 4.243 0.001 . 1 . . . . . 142 Leu HA . 17446 1 519 . 1 1 75 75 LEU HB2 H 1 1.590 0.001 . 2 . . . . . 142 Leu HB2 . 17446 1 520 . 1 1 75 75 LEU HB3 H 1 1.522 0.001 . 2 . . . . . 142 Leu HB3 . 17446 1 521 . 1 1 75 75 LEU C C 13 177.725 0.001 . 1 . . . . . 142 Leu C . 17446 1 522 . 1 1 75 75 LEU CA C 13 55.719 0.008 . 1 . . . . . 142 Leu CA . 17446 1 523 . 1 1 75 75 LEU CB C 13 42.054 0.020 . 1 . . . . . 142 Leu CB . 17446 1 524 . 1 1 75 75 LEU N N 15 124.001 0.018 . 1 . . . . . 142 Leu N . 17446 1 525 . 1 1 76 76 SER H H 1 8.129 0.003 . 1 . . . . . 143 Ser H . 17446 1 526 . 1 1 76 76 SER HA H 1 4.309 0.001 . 1 . . . . . 143 Ser HA . 17446 1 527 . 1 1 76 76 SER C C 13 174.762 0.003 . 1 . . . . . 143 Ser C . 17446 1 528 . 1 1 76 76 SER CA C 13 58.795 0.006 . 1 . . . . . 143 Ser CA . 17446 1 529 . 1 1 76 76 SER CB C 13 63.605 0.003 . 1 . . . . . 143 Ser CB . 17446 1 530 . 1 1 76 76 SER N N 15 115.283 0.009 . 1 . . . . . 143 Ser N . 17446 1 531 . 1 1 77 77 GLU H H 1 8.168 0.001 . 1 . . . . . 144 Glu H . 17446 1 532 . 1 1 77 77 GLU HA H 1 4.202 0.001 . 1 . . . . . 144 Glu HA . 17446 1 533 . 1 1 77 77 GLU HB2 H 1 1.889 0.001 . 2 . . . . . 144 Glu HB2 . 17446 1 534 . 1 1 77 77 GLU HB3 H 1 1.982 0.001 . 2 . . . . . 144 Glu HB3 . 17446 1 535 . 1 1 77 77 GLU C C 13 176.710 0.001 . 1 . . . . . 144 Glu C . 17446 1 536 . 1 1 77 77 GLU CA C 13 56.914 0.001 . 1 . . . . . 144 Glu CA . 17446 1 537 . 1 1 77 77 GLU CB C 13 30.084 0.016 . 1 . . . . . 144 Glu CB . 17446 1 538 . 1 1 77 77 GLU N N 15 122.286 0.010 . 1 . . . . . 144 Glu N . 17446 1 539 . 1 1 78 78 ILE H H 1 7.867 0.003 . 1 . . . . . 145 Ile H . 17446 1 540 . 1 1 78 78 ILE HA H 1 4.004 0.001 . 1 . . . . . 145 Ile HA . 17446 1 541 . 1 1 78 78 ILE HB H 1 1.773 0.001 . 1 . . . . . 145 Ile HB . 17446 1 542 . 1 1 78 78 ILE C C 13 176.331 0.002 . 1 . . . . . 145 Ile C . 17446 1 543 . 1 1 78 78 ILE CA C 13 61.629 0.050 . 1 . . . . . 145 Ile CA . 17446 1 544 . 1 1 78 78 ILE CB C 13 38.588 0.016 . 1 . . . . . 145 Ile CB . 17446 1 545 . 1 1 78 78 ILE N N 15 120.244 0.019 . 1 . . . . . 145 Ile N . 17446 1 546 . 1 1 79 79 GLU H H 1 8.200 0.002 . 1 . . . . . 146 Glu H . 17446 1 547 . 1 1 79 79 GLU HA H 1 4.117 0.001 . 1 . . . . . 146 Glu HA . 17446 1 548 . 1 1 79 79 GLU HB2 H 1 1.911 0.001 . 2 . . . . . 146 Glu HB2 . 17446 1 549 . 1 1 79 79 GLU HB3 H 1 1.841 0.001 . 2 . . . . . 146 Glu HB3 . 17446 1 550 . 1 1 79 79 GLU C C 13 176.224 0.002 . 1 . . . . . 146 Glu C . 17446 1 551 . 1 1 79 79 GLU CA C 13 56.787 0.001 . 1 . . . . . 146 Glu CA . 17446 1 552 . 1 1 79 79 GLU CB C 13 30.209 0.020 . 1 . . . . . 146 Glu CB . 17446 1 553 . 1 1 79 79 GLU N N 15 123.359 0.013 . 1 . . . . . 146 Glu N . 17446 1 554 . 1 1 80 80 ASN H H 1 8.252 0.002 . 1 . . . . . 147 Asn H . 17446 1 555 . 1 1 80 80 ASN HA H 1 4.600 0.001 . 1 . . . . . 147 Asn HA . 17446 1 556 . 1 1 80 80 ASN HB2 H 1 2.727 0.001 . 2 . . . . . 147 Asn HB2 . 17446 1 557 . 1 1 80 80 ASN HB3 H 1 2.639 0.001 . 2 . . . . . 147 Asn HB3 . 17446 1 558 . 1 1 80 80 ASN C C 13 175.325 0.001 . 1 . . . . . 147 Asn C . 17446 1 559 . 1 1 80 80 ASN CA C 13 53.153 0.020 . 1 . . . . . 147 Asn CA . 17446 1 560 . 1 1 80 80 ASN CB C 13 38.745 0.003 . 1 . . . . . 147 Asn CB . 17446 1 561 . 1 1 80 80 ASN N N 15 119.557 0.011 . 1 . . . . . 147 Asn N . 17446 1 562 . 1 1 81 81 VAL H H 1 7.916 0.003 . 1 . . . . . 148 Val H . 17446 1 563 . 1 1 81 81 VAL HA H 1 3.932 0.001 . 1 . . . . . 148 Val HA . 17446 1 564 . 1 1 81 81 VAL HB H 1 1.941 0.001 . 1 . . . . . 148 Val HB . 17446 1 565 . 1 1 81 81 VAL C C 13 176.096 0.003 . 1 . . . . . 148 Val C . 17446 1 566 . 1 1 81 81 VAL CA C 13 62.672 0.001 . 1 . . . . . 148 Val CA . 17446 1 567 . 1 1 81 81 VAL CB C 13 32.283 0.001 . 1 . . . . . 148 Val CB . 17446 1 568 . 1 1 81 81 VAL N N 15 119.778 0.014 . 1 . . . . . 148 Val N . 17446 1 569 . 1 1 82 82 HIS H H 1 8.301 0.009 . 1 . . . . . 149 His H . 17446 1 570 . 1 1 82 82 HIS HA H 1 4.547 0.001 . 1 . . . . . 149 His HA . 17446 1 571 . 1 1 82 82 HIS HB2 H 1 2.974 0.001 . 2 . . . . . 149 His HB2 . 17446 1 572 . 1 1 82 82 HIS HB3 H 1 3.093 0.001 . 2 . . . . . 149 His HB3 . 17446 1 573 . 1 1 82 82 HIS C C 13 175.466 0.001 . 1 . . . . . 149 His C . 17446 1 574 . 1 1 82 82 HIS CA C 13 55.924 0.004 . 1 . . . . . 149 His CA . 17446 1 575 . 1 1 82 82 HIS CB C 13 29.687 0.022 . 1 . . . . . 149 His CB . 17446 1 576 . 1 1 82 82 HIS N N 15 121.366 0.018 . 1 . . . . . 149 His N . 17446 1 577 . 1 1 83 83 GLY H H 1 8.160 0.006 . 1 . . . . . 150 Gly H . 17446 1 578 . 1 1 83 83 GLY HA3 H 1 3.777 0.001 . 1 . . . . . 150 Gly HA3 . 17446 1 579 . 1 1 83 83 GLY C C 13 173.559 0.001 . 1 . . . . . 150 Gly C . 17446 1 580 . 1 1 83 83 GLY CA C 13 45.169 0.009 . 1 . . . . . 150 Gly CA . 17446 1 581 . 1 1 83 83 GLY N N 15 109.541 0.020 . 1 . . . . . 150 Gly N . 17446 1 582 . 1 1 84 84 PHE H H 1 8.018 0.004 . 1 . . . . . 151 Phe H . 17446 1 583 . 1 1 84 84 PHE HA H 1 4.511 0.001 . 1 . . . . . 151 Phe HA . 17446 1 584 . 1 1 84 84 PHE HB3 H 1 2.958 0.001 . 2 . . . . . 151 Phe HB3 . 17446 1 585 . 1 1 84 84 PHE C C 13 175.500 0.001 . 1 . . . . . 151 Phe C . 17446 1 586 . 1 1 84 84 PHE CA C 13 57.801 0.035 . 1 . . . . . 151 Phe CA . 17446 1 587 . 1 1 84 84 PHE CB C 13 39.602 0.022 . 1 . . . . . 151 Phe CB . 17446 1 588 . 1 1 84 84 PHE N N 15 120.219 0.016 . 1 . . . . . 151 Phe N . 17446 1 589 . 1 1 85 85 VAL H H 1 7.955 0.004 . 1 . . . . . 152 Val H . 17446 1 590 . 1 1 85 85 VAL HA H 1 3.951 0.001 . 1 . . . . . 152 Val HA . 17446 1 591 . 1 1 85 85 VAL HB H 1 1.836 0.001 . 1 . . . . . 152 Val HB . 17446 1 592 . 1 1 85 85 VAL C C 13 175.426 0.001 . 1 . . . . . 152 Val C . 17446 1 593 . 1 1 85 85 VAL CA C 13 61.944 0.018 . 1 . . . . . 152 Val CA . 17446 1 594 . 1 1 85 85 VAL CB C 13 32.994 0.024 . 1 . . . . . 152 Val CB . 17446 1 595 . 1 1 85 85 VAL N N 15 122.956 0.053 . 1 . . . . . 152 Val N . 17446 1 596 . 1 1 86 86 SER H H 1 8.212 0.004 . 1 . . . . . 153 Ser H . 17446 1 597 . 1 1 86 86 SER C C 13 174.393 0.001 . 1 . . . . . 153 Ser C . 17446 1 598 . 1 1 86 86 SER CA C 13 58.066 0.001 . 1 . . . . . 153 Ser CA . 17446 1 599 . 1 1 86 86 SER CB C 13 63.816 0.001 . 1 . . . . . 153 Ser CB . 17446 1 600 . 1 1 86 86 SER N N 15 119.352 0.022 . 1 . . . . . 153 Ser N . 17446 1 601 . 1 1 92 92 PRO HB2 H 1 2.183 0.001 . 2 . . . . . 159 Pro HB2 . 17446 1 602 . 1 1 92 92 PRO HB3 H 1 1.814 0.001 . 2 . . . . . 159 Pro HB3 . 17446 1 603 . 1 1 93 93 ILE H H 1 8.016 0.005 . 1 . . . . . 160 Ile H . 17446 1 604 . 1 1 93 93 ILE HA H 1 4.000 0.001 . 1 . . . . . 160 Ile HA . 17446 1 605 . 1 1 93 93 ILE HB H 1 1.716 0.001 . 1 . . . . . 160 Ile HB . 17446 1 606 . 1 1 93 93 ILE C C 13 176.163 0.003 . 1 . . . . . 160 Ile C . 17446 1 607 . 1 1 93 93 ILE CA C 13 61.109 0.025 . 1 . . . . . 160 Ile CA . 17446 1 608 . 1 1 93 93 ILE CB C 13 38.457 0.017 . 1 . . . . . 160 Ile CB . 17446 1 609 . 1 1 93 93 ILE N N 15 120.760 0.020 . 1 . . . . . 160 Ile N . 17446 1 610 . 1 1 94 94 LYS H H 1 8.220 0.004 . 1 . . . . . 161 Lys H . 17446 1 611 . 1 1 94 94 LYS HA H 1 4.211 0.001 . 1 . . . . . 161 Lys HA . 17446 1 612 . 1 1 94 94 LYS C C 13 175.743 0.001 . 1 . . . . . 161 Lys C . 17446 1 613 . 1 1 94 94 LYS CA C 13 55.914 0.001 . 1 . . . . . 161 Lys CA . 17446 1 614 . 1 1 94 94 LYS CB C 13 32.985 0.001 . 1 . . . . . 161 Lys CB . 17446 1 615 . 1 1 94 94 LYS N N 15 125.877 0.032 . 1 . . . . . 161 Lys N . 17446 1 616 . 1 1 95 95 ALA H H 1 8.190 0.004 . 1 . . . . . 162 Ala H . 17446 1 617 . 1 1 95 95 ALA HA H 1 4.201 0.001 . 1 . . . . . 162 Ala HA . 17446 1 618 . 1 1 95 95 ALA HB1 H 1 1.256 0.001 . 1 . . . . . 162 Ala HB1 . 17446 1 619 . 1 1 95 95 ALA HB2 H 1 1.256 0.001 . 1 . . . . . 162 Ala HB2 . 17446 1 620 . 1 1 95 95 ALA HB3 H 1 1.256 0.001 . 1 . . . . . 162 Ala HB3 . 17446 1 621 . 1 1 95 95 ALA C C 13 176.954 0.002 . 1 . . . . . 162 Ala C . 17446 1 622 . 1 1 95 95 ALA CA C 13 52.034 0.023 . 1 . . . . . 162 Ala CA . 17446 1 623 . 1 1 95 95 ALA CB C 13 19.416 0.010 . 1 . . . . . 162 Ala CB . 17446 1 624 . 1 1 95 95 ALA N N 15 125.584 0.026 . 1 . . . . . 162 Ala N . 17446 1 625 . 1 1 96 96 ASN H H 1 8.355 0.005 . 1 . . . . . 163 Asn H . 17446 1 626 . 1 1 96 96 ASN HA H 1 4.860 0.001 . 1 . . . . . 163 Asn HA . 17446 1 627 . 1 1 96 96 ASN HB2 H 1 2.672 0.001 . 2 . . . . . 163 Asn HB2 . 17446 1 628 . 1 1 96 96 ASN HB3 H 1 2.515 0.001 . 2 . . . . . 163 Asn HB3 . 17446 1 629 . 1 1 96 96 ASN C C 13 176.956 0.001 . 1 . . . . . 163 Asn C . 17446 1 630 . 1 1 96 96 ASN CA C 13 51.338 0.001 . 1 . . . . . 163 Asn CA . 17446 1 631 . 1 1 96 96 ASN CB C 13 38.543 0.001 . 1 . . . . . 163 Asn CB . 17446 1 632 . 1 1 96 96 ASN N N 15 119.269 0.018 . 1 . . . . . 163 Asn N . 17446 1 633 . 1 1 99 99 PRO HA H 1 4.333 0.001 . 1 . . . . . 166 Pro HA . 17446 1 634 . 1 1 99 99 PRO HB2 H 1 1.753 0.001 . 2 . . . . . 166 Pro HB2 . 17446 1 635 . 1 1 99 99 PRO HB3 H 1 2.165 0.001 . 2 . . . . . 166 Pro HB3 . 17446 1 636 . 1 1 99 99 PRO C C 13 176.598 0.001 . 1 . . . . . 166 Pro C . 17446 1 637 . 1 1 99 99 PRO CA C 13 62.724 0.001 . 1 . . . . . 166 Pro CA . 17446 1 638 . 1 1 99 99 PRO CB C 13 31.944 0.001 . 1 . . . . . 166 Pro CB . 17446 1 639 . 1 1 100 100 VAL H H 1 8.056 0.005 . 1 . . . . . 167 Val H . 17446 1 640 . 1 1 100 100 VAL HA H 1 3.953 0.001 . 1 . . . . . 167 Val HA . 17446 1 641 . 1 1 100 100 VAL HB H 1 1.912 0.001 . 1 . . . . . 167 Val HB . 17446 1 642 . 1 1 100 100 VAL C C 13 175.860 0.002 . 1 . . . . . 167 Val C . 17446 1 643 . 1 1 100 100 VAL CA C 13 62.269 0.084 . 1 . . . . . 167 Val CA . 17446 1 644 . 1 1 100 100 VAL CB C 13 32.653 0.029 . 1 . . . . . 167 Val CB . 17446 1 645 . 1 1 100 100 VAL N N 15 120.380 0.038 . 1 . . . . . 167 Val N . 17446 1 646 . 1 1 101 101 LEU H H 1 8.247 0.004 . 1 . . . . . 168 Leu H . 17446 1 647 . 1 1 101 101 LEU HA H 1 4.337 0.001 . 1 . . . . . 168 Leu HA . 17446 1 648 . 1 1 101 101 LEU HB2 H 1 1.459 0.001 . 2 . . . . . 168 Leu HB2 . 17446 1 649 . 1 1 101 101 LEU HB3 H 1 1.522 0.001 . 2 . . . . . 168 Leu HB3 . 17446 1 650 . 1 1 101 101 LEU C C 13 176.771 0.001 . 1 . . . . . 168 Leu C . 17446 1 651 . 1 1 101 101 LEU CA C 13 54.772 0.007 . 1 . . . . . 168 Leu CA . 17446 1 652 . 1 1 101 101 LEU CB C 13 42.318 0.014 . 1 . . . . . 168 Leu CB . 17446 1 653 . 1 1 101 101 LEU N N 15 126.723 0.021 . 1 . . . . . 168 Leu N . 17446 1 654 . 1 1 102 102 VAL H H 1 8.046 0.004 . 1 . . . . . 169 Val H . 17446 1 655 . 1 1 102 102 VAL HA H 1 4.033 0.001 . 1 . . . . . 169 Val HA . 17446 1 656 . 1 1 102 102 VAL HB H 1 1.945 0.001 . 1 . . . . . 169 Val HB . 17446 1 657 . 1 1 102 102 VAL C C 13 175.464 0.001 . 1 . . . . . 169 Val C . 17446 1 658 . 1 1 102 102 VAL CA C 13 61.902 0.032 . 1 . . . . . 169 Val CA . 17446 1 659 . 1 1 102 102 VAL CB C 13 32.959 0.006 . 1 . . . . . 169 Val CB . 17446 1 660 . 1 1 102 102 VAL N N 15 121.396 0.029 . 1 . . . . . 169 Val N . 17446 1 661 . 1 1 103 103 ASN H H 1 8.478 0.004 . 1 . . . . . 170 Asn H . 17446 1 662 . 1 1 103 103 ASN HA H 1 4.695 0.001 . 1 . . . . . 170 Asn HA . 17446 1 663 . 1 1 103 103 ASN HB2 H 1 2.773 0.001 . 2 . . . . . 170 Asn HB2 . 17446 1 664 . 1 1 103 103 ASN HB3 H 1 2.674 0.001 . 2 . . . . . 170 Asn HB3 . 17446 1 665 . 1 1 103 103 ASN C C 13 175.497 0.011 . 1 . . . . . 170 Asn C . 17446 1 666 . 1 1 103 103 ASN CA C 13 53.092 0.004 . 1 . . . . . 170 Asn CA . 17446 1 667 . 1 1 103 103 ASN CB C 13 38.905 0.005 . 1 . . . . . 170 Asn CB . 17446 1 668 . 1 1 103 103 ASN N N 15 122.877 0.017 . 1 . . . . . 170 Asn N . 17446 1 669 . 1 1 104 104 THR H H 1 8.169 0.004 . 1 . . . . . 171 Thr H . 17446 1 670 . 1 1 104 104 THR HA H 1 4.216 0.001 . 1 . . . . . 171 Thr HA . 17446 1 671 . 1 1 104 104 THR C C 13 174.472 0.001 . 1 . . . . . 171 Thr C . 17446 1 672 . 1 1 104 104 THR CA C 13 62.025 0.019 . 1 . . . . . 171 Thr CA . 17446 1 673 . 1 1 104 104 THR CB C 13 69.375 0.037 . 1 . . . . . 171 Thr CB . 17446 1 674 . 1 1 104 104 THR N N 15 114.673 0.021 . 1 . . . . . 171 Thr N . 17446 1 675 . 1 1 105 105 ASP H H 1 8.269 0.002 . 1 . . . . . 172 Asp H . 17446 1 676 . 1 1 105 105 ASP HA H 1 4.524 0.001 . 1 . . . . . 172 Asp HA . 17446 1 677 . 1 1 105 105 ASP HB2 H 1 2.577 0.001 . 2 . . . . . 172 Asp HB2 . 17446 1 678 . 1 1 105 105 ASP HB3 H 1 2.610 0.001 . 2 . . . . . 172 Asp HB3 . 17446 1 679 . 1 1 105 105 ASP C C 13 176.315 0.002 . 1 . . . . . 172 Asp C . 17446 1 680 . 1 1 105 105 ASP CA C 13 54.743 0.029 . 1 . . . . . 172 Asp CA . 17446 1 681 . 1 1 105 105 ASP CB C 13 41.035 0.004 . 1 . . . . . 172 Asp CB . 17446 1 682 . 1 1 105 105 ASP N N 15 122.441 0.023 . 1 . . . . . 172 Asp N . 17446 1 683 . 1 1 106 106 SER H H 1 8.085 0.002 . 1 . . . . . 173 Ser H . 17446 1 684 . 1 1 106 106 SER HA H 1 4.329 0.001 . 1 . . . . . 173 Ser HA . 17446 1 685 . 1 1 106 106 SER HB3 H 1 3.769 0.001 . 2 . . . . . 173 Ser HB3 . 17446 1 686 . 1 1 106 106 SER C C 13 174.441 0.001 . 1 . . . . . 173 Ser C . 17446 1 687 . 1 1 106 106 SER CA C 13 58.353 0.001 . 1 . . . . . 173 Ser CA . 17446 1 688 . 1 1 106 106 SER CB C 13 63.685 0.001 . 1 . . . . . 173 Ser CB . 17446 1 689 . 1 1 106 106 SER N N 15 115.476 0.013 . 1 . . . . . 173 Ser N . 17446 1 690 . 1 1 107 107 LEU H H 1 8.135 0.003 . 1 . . . . . 174 Leu H . 17446 1 691 . 1 1 107 107 LEU HA H 1 4.249 0.001 . 1 . . . . . 174 Leu HA . 17446 1 692 . 1 1 107 107 LEU HB2 H 1 1.565 0.001 . 2 . . . . . 174 Leu HB2 . 17446 1 693 . 1 1 107 107 LEU HB3 H 1 1.496 0.001 . 2 . . . . . 174 Leu HB3 . 17446 1 694 . 1 1 107 107 LEU C C 13 177.279 0.003 . 1 . . . . . 174 Leu C . 17446 1 695 . 1 1 107 107 LEU CA C 13 55.195 0.036 . 1 . . . . . 174 Leu CA . 17446 1 696 . 1 1 107 107 LEU CB C 13 42.229 0.014 . 1 . . . . . 174 Leu CB . 17446 1 697 . 1 1 107 107 LEU N N 15 123.731 0.016 . 1 . . . . . 174 Leu N . 17446 1 698 . 1 1 108 108 GLU H H 1 8.201 0.002 . 1 . . . . . 175 Glu H . 17446 1 699 . 1 1 108 108 GLU HA H 1 4.216 0.001 . 1 . . . . . 175 Glu HA . 17446 1 700 . 1 1 108 108 GLU HB2 H 1 1.808 0.001 . 2 . . . . . 175 Glu HB2 . 17446 1 701 . 1 1 108 108 GLU HB3 H 1 1.929 0.001 . 2 . . . . . 175 Glu HB3 . 17446 1 702 . 1 1 108 108 GLU C C 13 176.254 0.003 . 1 . . . . . 175 Glu C . 17446 1 703 . 1 1 108 108 GLU CA C 13 56.330 0.012 . 1 . . . . . 175 Glu CA . 17446 1 704 . 1 1 108 108 GLU CB C 13 30.249 0.003 . 1 . . . . . 175 Glu CB . 17446 1 705 . 1 1 108 108 GLU N N 15 121.110 0.007 . 1 . . . . . 175 Glu N . 17446 1 706 . 1 1 109 109 THR H H 1 8.108 0.004 . 1 . . . . . 176 Thr H . 17446 1 707 . 1 1 109 109 THR HA H 1 4.452 0.001 . 1 . . . . . 176 Thr HA . 17446 1 708 . 1 1 109 109 THR HB H 1 4.008 0.001 . 1 . . . . . 176 Thr HB . 17446 1 709 . 1 1 109 109 THR C C 13 172.647 0.001 . 1 . . . . . 176 Thr C . 17446 1 710 . 1 1 109 109 THR CA C 13 59.801 0.001 . 1 . . . . . 176 Thr CA . 17446 1 711 . 1 1 109 109 THR CB C 13 69.662 0.001 . 1 . . . . . 176 Thr CB . 17446 1 712 . 1 1 109 109 THR N N 15 118.091 0.023 . 1 . . . . . 176 Thr N . 17446 1 713 . 1 1 110 110 PRO HA H 1 4.336 0.001 . 1 . . . . . 177 Pro HA . 17446 1 714 . 1 1 110 110 PRO HB2 H 1 2.112 0.001 . 2 . . . . . 177 Pro HB2 . 17446 1 715 . 1 1 110 110 PRO HB3 H 1 1.598 0.001 . 2 . . . . . 177 Pro HB3 . 17446 1 716 . 1 1 110 110 PRO C C 13 176.673 0.001 . 1 . . . . . 177 Pro C . 17446 1 717 . 1 1 110 110 PRO CA C 13 63.066 0.001 . 1 . . . . . 177 Pro CA . 17446 1 718 . 1 1 110 110 PRO CB C 13 32.062 0.001 . 1 . . . . . 177 Pro CB . 17446 1 719 . 1 1 111 111 THR H H 1 8.097 0.004 . 1 . . . . . 178 Thr H . 17446 1 720 . 1 1 111 111 THR HA H 1 4.107 0.001 . 1 . . . . . 178 Thr HA . 17446 1 721 . 1 1 111 111 THR HB H 1 3.986 0.001 . 1 . . . . . 178 Thr HB . 17446 1 722 . 1 1 111 111 THR C C 13 174.085 0.004 . 1 . . . . . 178 Thr C . 17446 1 723 . 1 1 111 111 THR CA C 13 61.938 0.023 . 1 . . . . . 178 Thr CA . 17446 1 724 . 1 1 111 111 THR CB C 13 69.786 0.004 . 1 . . . . . 178 Thr CB . 17446 1 725 . 1 1 111 111 THR N N 15 114.540 0.032 . 1 . . . . . 178 Thr N . 17446 1 726 . 1 1 112 112 TYR H H 1 8.022 0.004 . 1 . . . . . 179 Tyr H . 17446 1 727 . 1 1 112 112 TYR HA H 1 4.490 0.001 . 1 . . . . . 179 Tyr HA . 17446 1 728 . 1 1 112 112 TYR HB2 H 1 2.802 0.001 . 2 . . . . . 179 Tyr HB2 . 17446 1 729 . 1 1 112 112 TYR HB3 H 1 2.860 0.001 . 2 . . . . . 179 Tyr HB3 . 17446 1 730 . 1 1 112 112 TYR C C 13 175.435 0.001 . 1 . . . . . 179 Tyr C . 17446 1 731 . 1 1 112 112 TYR CA C 13 57.615 0.008 . 1 . . . . . 179 Tyr CA . 17446 1 732 . 1 1 112 112 TYR CB C 13 38.714 0.009 . 1 . . . . . 179 Tyr CB . 17446 1 733 . 1 1 112 112 TYR N N 15 122.388 0.026 . 1 . . . . . 179 Tyr N . 17446 1 734 . 1 1 113 113 VAL H H 1 7.896 0.003 . 1 . . . . . 180 Val H . 17446 1 735 . 1 1 113 113 VAL HA H 1 3.969 0.001 . 1 . . . . . 180 Val HA . 17446 1 736 . 1 1 113 113 VAL HB H 1 1.890 0.001 . 1 . . . . . 180 Val HB . 17446 1 737 . 1 1 113 113 VAL C C 13 175.456 0.001 . 1 . . . . . 180 Val C . 17446 1 738 . 1 1 113 113 VAL CA C 13 62.003 0.057 . 1 . . . . . 180 Val CA . 17446 1 739 . 1 1 113 113 VAL CB C 13 32.859 0.002 . 1 . . . . . 180 Val CB . 17446 1 740 . 1 1 113 113 VAL N N 15 121.778 0.035 . 1 . . . . . 180 Val N . 17446 1 741 . 1 1 114 114 ASN H H 1 8.349 0.003 . 1 . . . . . 181 Asn H . 17446 1 742 . 1 1 114 114 ASN HA H 1 4.615 0.001 . 1 . . . . . 181 Asn HA . 17446 1 743 . 1 1 114 114 ASN HB2 H 1 2.751 0.001 . 2 . . . . . 181 Asn HB2 . 17446 1 744 . 1 1 114 114 ASN HB3 H 1 2.661 0.001 . 2 . . . . . 181 Asn HB3 . 17446 1 745 . 1 1 114 114 ASN CA C 13 53.250 0.008 . 1 . . . . . 181 Asn CA . 17446 1 746 . 1 1 114 114 ASN CB C 13 39.010 0.013 . 1 . . . . . 181 Asn CB . 17446 1 747 . 1 1 114 114 ASN N N 15 122.310 0.031 . 1 . . . . . 181 Asn N . 17446 1 748 . 1 1 115 115 GLY H H 1 8.269 0.002 . 1 . . . . . 182 Gly H . 17446 1 749 . 1 1 115 115 GLY HA3 H 1 3.923 0.001 . 1 . . . . . 182 Gly HA3 . 17446 1 750 . 1 1 115 115 GLY C C 13 174.238 0.003 . 1 . . . . . 182 Gly C . 17446 1 751 . 1 1 115 115 GLY CA C 13 45.452 0.012 . 1 . . . . . 182 Gly CA . 17446 1 752 . 1 1 115 115 GLY N N 15 109.640 0.021 . 1 . . . . . 182 Gly N . 17446 1 753 . 1 1 116 116 THR H H 1 8.112 0.004 . 1 . . . . . 183 Thr H . 17446 1 754 . 1 1 116 116 THR HA H 1 4.382 0.001 . 1 . . . . . 183 Thr HA . 17446 1 755 . 1 1 116 116 THR HB H 1 4.229 0.001 . 1 . . . . . 183 Thr HB . 17446 1 756 . 1 1 116 116 THR C C 13 174.504 0.002 . 1 . . . . . 183 Thr C . 17446 1 757 . 1 1 116 116 THR CA C 13 61.746 0.055 . 1 . . . . . 183 Thr CA . 17446 1 758 . 1 1 116 116 THR CB C 13 70.211 0.030 . 1 . . . . . 183 Thr CB . 17446 1 759 . 1 1 116 116 THR N N 15 112.840 0.013 . 1 . . . . . 183 Thr N . 17446 1 760 . 1 1 117 117 ASP H H 1 8.392 0.002 . 1 . . . . . 184 Asp H . 17446 1 761 . 1 1 117 117 ASP HA H 1 4.601 0.001 . 1 . . . . . 184 Asp HA . 17446 1 762 . 1 1 117 117 ASP HB2 H 1 2.629 0.001 . 2 . . . . . 184 Asp HB2 . 17446 1 763 . 1 1 117 117 ASP HB3 H 1 2.808 0.001 . 2 . . . . . 184 Asp HB3 . 17446 1 764 . 1 1 117 117 ASP C C 13 176.196 0.001 . 1 . . . . . 184 Asp C . 17446 1 765 . 1 1 117 117 ASP CA C 13 54.733 0.001 . 1 . . . . . 184 Asp CA . 17446 1 766 . 1 1 117 117 ASP CB C 13 41.411 0.001 . 1 . . . . . 184 Asp CB . 17446 1 767 . 1 1 117 117 ASP N N 15 122.558 0.025 . 1 . . . . . 184 Asp N . 17446 1 768 . 1 1 118 118 ALA H H 1 8.111 0.004 . 1 . . . . . 185 Ala H . 17446 1 769 . 1 1 118 118 ALA HA H 1 4.204 0.001 . 1 . . . . . 185 Ala HA . 17446 1 770 . 1 1 118 118 ALA HB1 H 1 1.283 0.001 . 1 . . . . . 185 Ala HB1 . 17446 1 771 . 1 1 118 118 ALA HB2 H 1 1.283 0.001 . 1 . . . . . 185 Ala HB2 . 17446 1 772 . 1 1 118 118 ALA HB3 H 1 1.283 0.001 . 1 . . . . . 185 Ala HB3 . 17446 1 773 . 1 1 118 118 ALA C C 13 177.202 0.005 . 1 . . . . . 185 Ala C . 17446 1 774 . 1 1 118 118 ALA CA C 13 53.122 0.024 . 1 . . . . . 185 Ala CA . 17446 1 775 . 1 1 118 118 ALA CB C 13 19.212 0.001 . 1 . . . . . 185 Ala CB . 17446 1 776 . 1 1 118 118 ALA N N 15 123.339 0.021 . 1 . . . . . 185 Ala N . 17446 1 777 . 1 1 119 119 ASP H H 1 8.216 0.003 . 1 . . . . . 186 Asp H . 17446 1 778 . 1 1 119 119 ASP HA H 1 4.548 0.001 . 1 . . . . . 186 Asp HA . 17446 1 779 . 1 1 119 119 ASP HB3 H 1 2.384 0.001 . 2 . . . . . 186 Asp HB3 . 17446 1 780 . 1 1 119 119 ASP C C 13 175.041 0.004 . 1 . . . . . 186 Asp C . 17446 1 781 . 1 1 119 119 ASP CA C 13 54.698 0.016 . 1 . . . . . 186 Asp CA . 17446 1 782 . 1 1 119 119 ASP CB C 13 41.766 0.047 . 1 . . . . . 186 Asp CB . 17446 1 783 . 1 1 119 119 ASP N N 15 117.219 0.020 . 1 . . . . . 186 Asp N . 17446 1 784 . 1 1 120 120 TYR H H 1 7.842 0.004 . 1 . . . . . 187 Tyr H . 17446 1 785 . 1 1 120 120 TYR HA H 1 4.972 0.001 . 1 . . . . . 187 Tyr HA . 17446 1 786 . 1 1 120 120 TYR HB2 H 1 2.302 0.001 . 2 . . . . . 187 Tyr HB2 . 17446 1 787 . 1 1 120 120 TYR HB3 H 1 2.484 0.001 . 2 . . . . . 187 Tyr HB3 . 17446 1 788 . 1 1 120 120 TYR C C 13 174.094 0.004 . 1 . . . . . 187 Tyr C . 17446 1 789 . 1 1 120 120 TYR CA C 13 57.234 0.026 . 1 . . . . . 187 Tyr CA . 17446 1 790 . 1 1 120 120 TYR CB C 13 41.915 0.030 . 1 . . . . . 187 Tyr CB . 17446 1 791 . 1 1 120 120 TYR N N 15 117.809 0.023 . 1 . . . . . 187 Tyr N . 17446 1 792 . 1 1 121 121 GLU H H 1 8.969 0.003 . 1 . . . . . 188 Glu H . 17446 1 793 . 1 1 121 121 GLU HA H 1 4.623 0.001 . 1 . . . . . 188 Glu HA . 17446 1 794 . 1 1 121 121 GLU HB3 H 1 1.768 0.001 . 2 . . . . . 188 Glu HB3 . 17446 1 795 . 1 1 121 121 GLU C C 13 173.410 0.002 . 1 . . . . . 188 Glu C . 17446 1 796 . 1 1 121 121 GLU CA C 13 54.026 0.001 . 1 . . . . . 188 Glu CA . 17446 1 797 . 1 1 121 121 GLU CB C 13 32.939 0.063 . 1 . . . . . 188 Glu CB . 17446 1 798 . 1 1 121 121 GLU N N 15 119.553 0.029 . 1 . . . . . 188 Glu N . 17446 1 799 . 1 1 122 122 TYR H H 1 8.422 0.007 . 1 . . . . . 189 Tyr H . 17446 1 800 . 1 1 122 122 TYR HA H 1 5.325 0.001 . 1 . . . . . 189 Tyr HA . 17446 1 801 . 1 1 122 122 TYR HB3 H 1 2.662 0.001 . 2 . . . . . 189 Tyr HB3 . 17446 1 802 . 1 1 122 122 TYR C C 13 176.143 0.001 . 1 . . . . . 189 Tyr C . 17446 1 803 . 1 1 122 122 TYR CA C 13 56.264 0.001 . 1 . . . . . 189 Tyr CA . 17446 1 804 . 1 1 122 122 TYR CB C 13 41.084 0.057 . 1 . . . . . 189 Tyr CB . 17446 1 805 . 1 1 122 122 TYR N N 15 120.847 0.021 . 1 . . . . . 189 Tyr N . 17446 1 806 . 1 1 123 123 GLU H H 1 8.573 0.003 . 1 . . . . . 190 Glu H . 17446 1 807 . 1 1 123 123 GLU HA H 1 4.491 0.001 . 1 . . . . . 190 Glu HA . 17446 1 808 . 1 1 123 123 GLU HB2 H 1 1.643 0.001 . 2 . . . . . 190 Glu HB2 . 17446 1 809 . 1 1 123 123 GLU HB3 H 1 1.594 0.001 . 2 . . . . . 190 Glu HB3 . 17446 1 810 . 1 1 123 123 GLU C C 13 173.083 0.001 . 1 . . . . . 190 Glu C . 17446 1 811 . 1 1 123 123 GLU CA C 13 55.921 0.001 . 1 . . . . . 190 Glu CA . 17446 1 812 . 1 1 123 123 GLU CB C 13 34.000 0.001 . 1 . . . . . 190 Glu CB . 17446 1 813 . 1 1 123 123 GLU N N 15 121.908 0.014 . 1 . . . . . 190 Glu N . 17446 1 814 . 1 1 124 124 GLU H H 1 8.600 0.005 . 1 . . . . . 191 Glu H . 17446 1 815 . 1 1 124 124 GLU HA H 1 5.214 0.001 . 1 . . . . . 191 Glu HA . 17446 1 816 . 1 1 124 124 GLU HB2 H 1 1.847 0.001 . 2 . . . . . 191 Glu HB2 . 17446 1 817 . 1 1 124 124 GLU HB3 H 1 1.990 0.001 . 2 . . . . . 191 Glu HB3 . 17446 1 818 . 1 1 124 124 GLU C C 13 175.438 0.006 . 1 . . . . . 191 Glu C . 17446 1 819 . 1 1 124 124 GLU CA C 13 54.974 0.004 . 1 . . . . . 191 Glu CA . 17446 1 820 . 1 1 124 124 GLU CB C 13 31.354 0.068 . 1 . . . . . 191 Glu CB . 17446 1 821 . 1 1 124 124 GLU N N 15 125.129 0.031 . 1 . . . . . 191 Glu N . 17446 1 822 . 1 1 125 125 ILE H H 1 9.202 0.003 . 1 . . . . . 192 Ile H . 17446 1 823 . 1 1 125 125 ILE HA H 1 3.942 0.001 . 1 . . . . . 192 Ile HA . 17446 1 824 . 1 1 125 125 ILE HB H 1 1.363 0.001 . 1 . . . . . 192 Ile HB . 17446 1 825 . 1 1 125 125 ILE C C 13 173.839 0.019 . 1 . . . . . 192 Ile C . 17446 1 826 . 1 1 125 125 ILE CA C 13 61.131 0.011 . 1 . . . . . 192 Ile CA . 17446 1 827 . 1 1 125 125 ILE CB C 13 42.740 0.021 . 1 . . . . . 192 Ile CB . 17446 1 828 . 1 1 125 125 ILE N N 15 129.758 0.021 . 1 . . . . . 192 Ile N . 17446 1 829 . 1 1 126 126 THR H H 1 7.536 0.004 . 1 . . . . . 193 Thr H . 17446 1 830 . 1 1 126 126 THR HA H 1 5.133 0.001 . 1 . . . . . 193 Thr HA . 17446 1 831 . 1 1 126 126 THR HB H 1 3.898 0.001 . 1 . . . . . 193 Thr HB . 17446 1 832 . 1 1 126 126 THR C C 13 173.170 0.004 . 1 . . . . . 193 Thr C . 17446 1 833 . 1 1 126 126 THR CA C 13 61.971 0.062 . 1 . . . . . 193 Thr CA . 17446 1 834 . 1 1 126 126 THR CB C 13 69.420 0.010 . 1 . . . . . 193 Thr CB . 17446 1 835 . 1 1 126 126 THR N N 15 124.178 0.014 . 1 . . . . . 193 Thr N . 17446 1 836 . 1 1 127 127 LEU H H 1 9.048 0.003 . 1 . . . . . 194 Leu H . 17446 1 837 . 1 1 127 127 LEU HA H 1 4.674 0.002 . 1 . . . . . 194 Leu HA . 17446 1 838 . 1 1 127 127 LEU C C 13 174.781 0.001 . 1 . . . . . 194 Leu C . 17446 1 839 . 1 1 127 127 LEU CA C 13 52.457 0.002 . 1 . . . . . 194 Leu CA . 17446 1 840 . 1 1 127 127 LEU CB C 13 46.079 0.021 . 1 . . . . . 194 Leu CB . 17446 1 841 . 1 1 127 127 LEU N N 15 125.531 0.033 . 1 . . . . . 194 Leu N . 17446 1 842 . 1 1 128 128 GLU H H 1 8.536 0.003 . 1 . . . . . 195 Glu H . 17446 1 843 . 1 1 128 128 GLU HA H 1 4.855 0.001 . 1 . . . . . 195 Glu HA . 17446 1 844 . 1 1 128 128 GLU HB2 H 1 1.752 0.001 . 2 . . . . . 195 Glu HB2 . 17446 1 845 . 1 1 128 128 GLU HB3 H 1 1.868 0.001 . 2 . . . . . 195 Glu HB3 . 17446 1 846 . 1 1 128 128 GLU C C 13 175.797 0.001 . 1 . . . . . 195 Glu C . 17446 1 847 . 1 1 128 128 GLU CA C 13 54.421 0.008 . 1 . . . . . 195 Glu CA . 17446 1 848 . 1 1 128 128 GLU CB C 13 30.316 0.052 . 1 . . . . . 195 Glu CB . 17446 1 849 . 1 1 128 128 GLU N N 15 121.989 0.029 . 1 . . . . . 195 Glu N . 17446 1 850 . 1 1 129 129 ARG H H 1 8.659 0.003 . 1 . . . . . 196 Arg H . 17446 1 851 . 1 1 129 129 ARG HA H 1 3.593 0.001 . 1 . . . . . 196 Arg HA . 17446 1 852 . 1 1 129 129 ARG HB2 H 1 1.599 0.001 . 2 . . . . . 196 Arg HB2 . 17446 1 853 . 1 1 129 129 ARG HB3 H 1 1.735 0.001 . 2 . . . . . 196 Arg HB3 . 17446 1 854 . 1 1 129 129 ARG C C 13 176.236 0.004 . 1 . . . . . 196 Arg C . 17446 1 855 . 1 1 129 129 ARG CA C 13 58.136 0.046 . 1 . . . . . 196 Arg CA . 17446 1 856 . 1 1 129 129 ARG CB C 13 31.364 0.010 . 1 . . . . . 196 Arg CB . 17446 1 857 . 1 1 129 129 ARG N N 15 125.615 0.024 . 1 . . . . . 196 Arg N . 17446 1 858 . 1 1 130 130 GLY H H 1 7.834 0.003 . 1 . . . . . 197 Gly H . 17446 1 859 . 1 1 130 130 GLY C C 13 175.152 0.001 . 1 . . . . . 197 Gly C . 17446 1 860 . 1 1 130 130 GLY CA C 13 44.720 0.001 . 1 . . . . . 197 Gly CA . 17446 1 861 . 1 1 130 130 GLY N N 15 111.011 0.025 . 1 . . . . . 197 Gly N . 17446 1 862 . 1 1 134 134 LEU HA H 1 4.063 0.001 . 1 . . . . . 201 Leu HA . 17446 1 863 . 1 1 134 134 LEU C C 13 177.890 0.001 . 1 . . . . . 201 Leu C . 17446 1 864 . 1 1 134 134 LEU CA C 13 56.580 0.001 . 1 . . . . . 201 Leu CA . 17446 1 865 . 1 1 134 134 LEU CB C 13 42.160 0.001 . 1 . . . . . 201 Leu CB . 17446 1 866 . 1 1 135 135 GLY H H 1 8.510 0.001 . 1 . . . . . 202 Gly H . 17446 1 867 . 1 1 135 135 GLY HA2 H 1 4.114 0.001 . 2 . . . . . 202 Gly HA2 . 17446 1 868 . 1 1 135 135 GLY HA3 H 1 3.814 0.001 . 2 . . . . . 202 Gly HA3 . 17446 1 869 . 1 1 135 135 GLY C C 13 175.795 0.001 . 1 . . . . . 202 Gly C . 17446 1 870 . 1 1 135 135 GLY CA C 13 46.817 0.011 . 1 . . . . . 202 Gly CA . 17446 1 871 . 1 1 135 135 GLY N N 15 103.735 0.010 . 1 . . . . . 202 Gly N . 17446 1 872 . 1 1 136 136 PHE H H 1 7.264 0.003 . 1 . . . . . 203 Phe H . 17446 1 873 . 1 1 136 136 PHE HA H 1 5.302 0.001 . 1 . . . . . 203 Phe HA . 17446 1 874 . 1 1 136 136 PHE HB2 H 1 3.312 0.001 . 2 . . . . . 203 Phe HB2 . 17446 1 875 . 1 1 136 136 PHE HB3 H 1 2.903 0.001 . 2 . . . . . 203 Phe HB3 . 17446 1 876 . 1 1 136 136 PHE C C 13 172.767 0.001 . 1 . . . . . 203 Phe C . 17446 1 877 . 1 1 136 136 PHE CA C 13 56.444 0.023 . 1 . . . . . 203 Phe CA . 17446 1 878 . 1 1 136 136 PHE CB C 13 41.112 0.041 . 1 . . . . . 203 Phe CB . 17446 1 879 . 1 1 136 136 PHE N N 15 114.901 0.016 . 1 . . . . . 203 Phe N . 17446 1 880 . 1 1 137 137 SER H H 1 8.588 0.005 . 1 . . . . . 204 Ser H . 17446 1 881 . 1 1 137 137 SER HA H 1 4.939 0.001 . 1 . . . . . 204 Ser HA . 17446 1 882 . 1 1 137 137 SER HB2 H 1 3.609 0.001 . 2 . . . . . 204 Ser HB2 . 17446 1 883 . 1 1 137 137 SER HB3 H 1 3.839 0.001 . 2 . . . . . 204 Ser HB3 . 17446 1 884 . 1 1 137 137 SER C C 13 173.799 0.003 . 1 . . . . . 204 Ser C . 17446 1 885 . 1 1 137 137 SER CA C 13 56.695 0.019 . 1 . . . . . 204 Ser CA . 17446 1 886 . 1 1 137 137 SER CB C 13 65.399 0.016 . 1 . . . . . 204 Ser CB . 17446 1 887 . 1 1 137 137 SER N N 15 116.460 0.026 . 1 . . . . . 204 Ser N . 17446 1 888 . 1 1 138 138 ILE H H 1 8.535 0.006 . 1 . . . . . 205 Ile H . 17446 1 889 . 1 1 138 138 ILE HA H 1 5.722 0.001 . 1 . . . . . 205 Ile HA . 17446 1 890 . 1 1 138 138 ILE C C 13 175.374 0.004 . 1 . . . . . 205 Ile C . 17446 1 891 . 1 1 138 138 ILE CA C 13 58.697 0.024 . 1 . . . . . 205 Ile CA . 17446 1 892 . 1 1 138 138 ILE CB C 13 43.461 0.043 . 1 . . . . . 205 Ile CB . 17446 1 893 . 1 1 138 138 ILE N N 15 114.013 0.021 . 1 . . . . . 205 Ile N . 17446 1 894 . 1 1 139 139 ALA H H 1 9.025 0.004 . 1 . . . . . 206 Ala H . 17446 1 895 . 1 1 139 139 ALA HA H 1 4.607 0.001 . 1 . . . . . 206 Ala HA . 17446 1 896 . 1 1 139 139 ALA HB1 H 1 1.005 0.001 . 1 . . . . . 206 Ala HB1 . 17446 1 897 . 1 1 139 139 ALA HB2 H 1 1.005 0.001 . 1 . . . . . 206 Ala HB2 . 17446 1 898 . 1 1 139 139 ALA HB3 H 1 1.005 0.001 . 1 . . . . . 206 Ala HB3 . 17446 1 899 . 1 1 139 139 ALA C C 13 175.395 0.005 . 1 . . . . . 206 Ala C . 17446 1 900 . 1 1 139 139 ALA CA C 13 51.063 0.042 . 1 . . . . . 206 Ala CA . 17446 1 901 . 1 1 139 139 ALA CB C 13 24.037 0.013 . 1 . . . . . 206 Ala CB . 17446 1 902 . 1 1 139 139 ALA N N 15 122.748 0.031 . 1 . . . . . 206 Ala N . 17446 1 903 . 1 1 140 140 GLY H H 1 8.603 0.004 . 1 . . . . . 207 Gly H . 17446 1 904 . 1 1 140 140 GLY HA2 H 1 5.297 0.001 . 2 . . . . . 207 Gly HA2 . 17446 1 905 . 1 1 140 140 GLY HA3 H 1 4.191 0.001 . 2 . . . . . 207 Gly HA3 . 17446 1 906 . 1 1 140 140 GLY C C 13 173.828 0.001 . 1 . . . . . 207 Gly C . 17446 1 907 . 1 1 140 140 GLY CA C 13 44.402 0.004 . 1 . . . . . 207 Gly CA . 17446 1 908 . 1 1 140 140 GLY N N 15 106.530 0.054 . 1 . . . . . 207 Gly N . 17446 1 909 . 1 1 141 141 GLY H H 1 6.708 0.005 . 1 . . . . . 208 Gly H . 17446 1 910 . 1 1 141 141 GLY HA3 H 1 4.127 0.001 . 1 . . . . . 208 Gly HA3 . 17446 1 911 . 1 1 141 141 GLY C C 13 176.365 0.006 . 1 . . . . . 208 Gly C . 17446 1 912 . 1 1 141 141 GLY CA C 13 43.524 0.029 . 1 . . . . . 208 Gly CA . 17446 1 913 . 1 1 141 141 GLY N N 15 106.659 0.030 . 1 . . . . . 208 Gly N . 17446 1 914 . 1 1 142 142 THR H H 1 8.864 0.004 . 1 . . . . . 209 Thr H . 17446 1 915 . 1 1 142 142 THR HA H 1 4.073 0.001 . 1 . . . . . 209 Thr HA . 17446 1 916 . 1 1 142 142 THR HB H 1 3.844 0.001 . 1 . . . . . 209 Thr HB . 17446 1 917 . 1 1 142 142 THR C C 13 175.660 0.019 . 1 . . . . . 209 Thr C . 17446 1 918 . 1 1 142 142 THR CA C 13 64.172 0.014 . 1 . . . . . 209 Thr CA . 17446 1 919 . 1 1 142 142 THR CB C 13 68.347 0.062 . 1 . . . . . 209 Thr CB . 17446 1 920 . 1 1 142 142 THR N N 15 111.793 0.036 . 1 . . . . . 209 Thr N . 17446 1 921 . 1 1 143 143 ASP H H 1 9.562 0.002 . 1 . . . . . 210 Asp H . 17446 1 922 . 1 1 143 143 ASP HA H 1 4.435 0.001 . 1 . . . . . 210 Asp HA . 17446 1 923 . 1 1 143 143 ASP HB2 H 1 2.621 0.001 . 2 . . . . . 210 Asp HB2 . 17446 1 924 . 1 1 143 143 ASP HB3 H 1 2.759 0.001 . 2 . . . . . 210 Asp HB3 . 17446 1 925 . 1 1 143 143 ASP C C 13 175.884 0.001 . 1 . . . . . 210 Asp C . 17446 1 926 . 1 1 143 143 ASP CA C 13 52.834 0.008 . 1 . . . . . 210 Asp CA . 17446 1 927 . 1 1 143 143 ASP CB C 13 39.131 0.003 . 1 . . . . . 210 Asp CB . 17446 1 928 . 1 1 143 143 ASP N N 15 115.728 0.016 . 1 . . . . . 210 Asp N . 17446 1 929 . 1 1 144 144 ASN H H 1 7.112 0.002 . 1 . . . . . 211 Asn H . 17446 1 930 . 1 1 144 144 ASN HA H 1 4.812 0.001 . 1 . . . . . 211 Asn HA . 17446 1 931 . 1 1 144 144 ASN HB3 H 1 2.637 0.001 . 2 . . . . . 211 Asn HB3 . 17446 1 932 . 1 1 144 144 ASN C C 13 181.213 0.001 . 1 . . . . . 211 Asn C . 17446 1 933 . 1 1 144 144 ASN CA C 13 51.608 0.001 . 1 . . . . . 211 Asn CA . 17446 1 934 . 1 1 144 144 ASN CB C 13 39.011 0.001 . 1 . . . . . 211 Asn CB . 17446 1 935 . 1 1 144 144 ASN N N 15 117.510 0.024 . 1 . . . . . 211 Asn N . 17446 1 936 . 1 1 145 145 PRO CA C 13 63.835 0.001 . 1 . . . . . 212 Pro CA . 17446 1 937 . 1 1 145 145 PRO CB C 13 31.922 0.001 . 1 . . . . . 212 Pro CB . 17446 1 938 . 1 1 146 146 HIS H H 1 9.909 0.005 . 1 . . . . . 213 His H . 17446 1 939 . 1 1 146 146 HIS HA H 1 4.556 0.001 . 1 . . . . . 213 His HA . 17446 1 940 . 1 1 146 146 HIS C C 13 174.561 0.001 . 1 . . . . . 213 His C . 17446 1 941 . 1 1 146 146 HIS CA C 13 56.919 0.001 . 1 . . . . . 213 His CA . 17446 1 942 . 1 1 146 146 HIS CB C 13 31.768 0.001 . 1 . . . . . 213 His CB . 17446 1 943 . 1 1 146 146 HIS N N 15 123.637 0.019 . 1 . . . . . 213 His N . 17446 1 944 . 1 1 147 147 ILE H H 1 7.058 0.010 . 1 . . . . . 214 Ile H . 17446 1 945 . 1 1 147 147 ILE HA H 1 4.000 0.001 . 1 . . . . . 214 Ile HA . 17446 1 946 . 1 1 147 147 ILE C C 13 175.287 0.001 . 1 . . . . . 214 Ile C . 17446 1 947 . 1 1 147 147 ILE CA C 13 59.555 0.063 . 1 . . . . . 214 Ile CA . 17446 1 948 . 1 1 147 147 ILE CB C 13 39.877 0.001 . 1 . . . . . 214 Ile CB . 17446 1 949 . 1 1 147 147 ILE N N 15 115.616 0.049 . 1 . . . . . 214 Ile N . 17446 1 950 . 1 1 148 148 GLY H H 1 8.455 0.005 . 1 . . . . . 215 Gly H . 17446 1 951 . 1 1 148 148 GLY HA3 H 1 3.626 0.001 . 1 . . . . . 215 Gly HA3 . 17446 1 952 . 1 1 148 148 GLY C C 13 173.751 0.005 . 1 . . . . . 215 Gly C . 17446 1 953 . 1 1 148 148 GLY CA C 13 46.812 0.007 . 1 . . . . . 215 Gly CA . 17446 1 954 . 1 1 148 148 GLY N N 15 113.425 0.027 . 1 . . . . . 215 Gly N . 17446 1 955 . 1 1 149 149 ASP H H 1 8.327 0.003 . 1 . . . . . 216 Asp H . 17446 1 956 . 1 1 149 149 ASP HA H 1 4.563 0.002 . 1 . . . . . 216 Asp HA . 17446 1 957 . 1 1 149 149 ASP C C 13 175.651 0.002 . 1 . . . . . 216 Asp C . 17446 1 958 . 1 1 149 149 ASP CA C 13 53.256 0.078 . 1 . . . . . 216 Asp CA . 17446 1 959 . 1 1 149 149 ASP CB C 13 40.712 0.004 . 1 . . . . . 216 Asp CB . 17446 1 960 . 1 1 149 149 ASP N N 15 122.536 0.018 . 1 . . . . . 216 Asp N . 17446 1 961 . 1 1 150 150 ASP H H 1 8.115 0.004 . 1 . . . . . 217 Asp H . 17446 1 962 . 1 1 150 150 ASP HA H 1 4.634 0.001 . 1 . . . . . 217 Asp HA . 17446 1 963 . 1 1 150 150 ASP C C 13 176.597 0.007 . 1 . . . . . 217 Asp C . 17446 1 964 . 1 1 150 150 ASP CA C 13 53.963 0.004 . 1 . . . . . 217 Asp CA . 17446 1 965 . 1 1 150 150 ASP CB C 13 41.759 0.056 . 1 . . . . . 217 Asp CB . 17446 1 966 . 1 1 150 150 ASP N N 15 120.820 0.016 . 1 . . . . . 217 Asp N . 17446 1 967 . 1 1 151 151 SER H H 1 8.558 0.004 . 1 . . . . . 218 Ser H . 17446 1 968 . 1 1 151 151 SER HA H 1 4.232 0.001 . 1 . . . . . 218 Ser HA . 17446 1 969 . 1 1 151 151 SER HB2 H 1 3.724 0.001 . 2 . . . . . 218 Ser HB2 . 17446 1 970 . 1 1 151 151 SER HB3 H 1 3.953 0.001 . 2 . . . . . 218 Ser HB3 . 17446 1 971 . 1 1 151 151 SER C C 13 174.621 0.001 . 1 . . . . . 218 Ser C . 17446 1 972 . 1 1 151 151 SER CA C 13 58.600 0.033 . 1 . . . . . 218 Ser CA . 17446 1 973 . 1 1 151 151 SER CB C 13 63.727 0.023 . 1 . . . . . 218 Ser CB . 17446 1 974 . 1 1 151 151 SER N N 15 121.147 0.016 . 1 . . . . . 218 Ser N . 17446 1 975 . 1 1 152 152 SER H H 1 8.418 0.002 . 1 . . . . . 219 Ser H . 17446 1 976 . 1 1 152 152 SER HA H 1 4.125 0.003 . 1 . . . . . 219 Ser HA . 17446 1 977 . 1 1 152 152 SER HB3 H 1 3.341 0.001 . 2 . . . . . 219 Ser HB3 . 17446 1 978 . 1 1 152 152 SER C C 13 171.857 0.001 . 1 . . . . . 219 Ser C . 17446 1 979 . 1 1 152 152 SER CA C 13 59.943 0.001 . 1 . . . . . 219 Ser CA . 17446 1 980 . 1 1 152 152 SER CB C 13 63.854 0.001 . 1 . . . . . 219 Ser CB . 17446 1 981 . 1 1 152 152 SER N N 15 117.137 0.023 . 1 . . . . . 219 Ser N . 17446 1 982 . 1 1 153 153 ILE H H 1 8.746 0.007 . 1 . . . . . 220 Ile H . 17446 1 983 . 1 1 153 153 ILE HA H 1 4.546 0.001 . 1 . . . . . 220 Ile HA . 17446 1 984 . 1 1 153 153 ILE HB H 1 2.175 0.001 . 1 . . . . . 220 Ile HB . 17446 1 985 . 1 1 153 153 ILE C C 13 175.230 0.003 . 1 . . . . . 220 Ile C . 17446 1 986 . 1 1 153 153 ILE CA C 13 57.781 0.041 . 1 . . . . . 220 Ile CA . 17446 1 987 . 1 1 153 153 ILE CB C 13 35.159 0.088 . 1 . . . . . 220 Ile CB . 17446 1 988 . 1 1 153 153 ILE N N 15 122.509 0.014 . 1 . . . . . 220 Ile N . 17446 1 989 . 1 1 154 154 PHE H H 1 8.730 0.005 . 1 . . . . . 221 Phe H . 17446 1 990 . 1 1 154 154 PHE HA H 1 5.395 0.001 . 1 . . . . . 221 Phe HA . 17446 1 991 . 1 1 154 154 PHE HB2 H 1 2.285 0.001 . 2 . . . . . 221 Phe HB2 . 17446 1 992 . 1 1 154 154 PHE HB3 H 1 2.666 0.001 . 2 . . . . . 221 Phe HB3 . 17446 1 993 . 1 1 154 154 PHE C C 13 175.815 0.001 . 1 . . . . . 221 Phe C . 17446 1 994 . 1 1 154 154 PHE CA C 13 56.189 0.017 . 1 . . . . . 221 Phe CA . 17446 1 995 . 1 1 154 154 PHE CB C 13 43.415 0.032 . 1 . . . . . 221 Phe CB . 17446 1 996 . 1 1 154 154 PHE N N 15 124.301 0.032 . 1 . . . . . 221 Phe N . 17446 1 997 . 1 1 155 155 ILE H H 1 8.582 0.003 . 1 . . . . . 222 Ile H . 17446 1 998 . 1 1 155 155 ILE HA H 1 4.498 0.001 . 1 . . . . . 222 Ile HA . 17446 1 999 . 1 1 155 155 ILE HB H 1 2.031 0.001 . 1 . . . . . 222 Ile HB . 17446 1 1000 . 1 1 155 155 ILE C C 13 177.743 0.009 . 1 . . . . . 222 Ile C . 17446 1 1001 . 1 1 155 155 ILE CA C 13 60.492 0.009 . 1 . . . . . 222 Ile CA . 17446 1 1002 . 1 1 155 155 ILE CB C 13 36.911 0.084 . 1 . . . . . 222 Ile CB . 17446 1 1003 . 1 1 155 155 ILE N N 15 119.100 0.038 . 1 . . . . . 222 Ile N . 17446 1 1004 . 1 1 156 156 THR H H 1 8.650 0.003 . 1 . . . . . 223 Thr H . 17446 1 1005 . 1 1 156 156 THR HA H 1 4.485 0.001 . 1 . . . . . 223 Thr HA . 17446 1 1006 . 1 1 156 156 THR HB H 1 4.086 0.001 . 1 . . . . . 223 Thr HB . 17446 1 1007 . 1 1 156 156 THR C C 13 175.133 0.013 . 1 . . . . . 223 Thr C . 17446 1 1008 . 1 1 156 156 THR CA C 13 61.638 0.068 . 1 . . . . . 223 Thr CA . 17446 1 1009 . 1 1 156 156 THR CB C 13 69.383 0.017 . 1 . . . . . 223 Thr CB . 17446 1 1010 . 1 1 156 156 THR N N 15 118.174 0.016 . 1 . . . . . 223 Thr N . 17446 1 1011 . 1 1 157 157 LYS H H 1 7.068 0.003 . 1 . . . . . 224 Lys H . 17446 1 1012 . 1 1 157 157 LYS HA H 1 4.276 0.001 . 1 . . . . . 224 Lys HA . 17446 1 1013 . 1 1 157 157 LYS HB2 H 1 1.563 0.001 . 2 . . . . . 224 Lys HB2 . 17446 1 1014 . 1 1 157 157 LYS HB3 H 1 1.728 0.001 . 2 . . . . . 224 Lys HB3 . 17446 1 1015 . 1 1 157 157 LYS C C 13 173.906 0.003 . 1 . . . . . 224 Lys C . 17446 1 1016 . 1 1 157 157 LYS CA C 13 56.616 0.001 . 1 . . . . . 224 Lys CA . 17446 1 1017 . 1 1 157 157 LYS CB C 13 36.135 0.013 . 1 . . . . . 224 Lys CB . 17446 1 1018 . 1 1 157 157 LYS N N 15 120.768 0.018 . 1 . . . . . 224 Lys N . 17446 1 1019 . 1 1 158 158 ILE H H 1 8.761 0.004 . 1 . . . . . 225 Ile H . 17446 1 1020 . 1 1 158 158 ILE HA H 1 4.338 0.001 . 1 . . . . . 225 Ile HA . 17446 1 1021 . 1 1 158 158 ILE HB H 1 1.700 0.001 . 1 . . . . . 225 Ile HB . 17446 1 1022 . 1 1 158 158 ILE C C 13 175.450 0.009 . 1 . . . . . 225 Ile C . 17446 1 1023 . 1 1 158 158 ILE CA C 13 60.074 0.027 . 1 . . . . . 225 Ile CA . 17446 1 1024 . 1 1 158 158 ILE CB C 13 38.373 0.043 . 1 . . . . . 225 Ile CB . 17446 1 1025 . 1 1 158 158 ILE N N 15 126.010 0.017 . 1 . . . . . 225 Ile N . 17446 1 1026 . 1 1 159 159 ILE H H 1 7.874 0.003 . 1 . . . . . 226 Ile H . 17446 1 1027 . 1 1 159 159 ILE HA H 1 4.048 0.001 . 1 . . . . . 226 Ile HA . 17446 1 1028 . 1 1 159 159 ILE C C 13 176.816 0.001 . 1 . . . . . 226 Ile C . 17446 1 1029 . 1 1 159 159 ILE CA C 13 60.386 0.078 . 1 . . . . . 226 Ile CA . 17446 1 1030 . 1 1 159 159 ILE CB C 13 38.211 0.119 . 1 . . . . . 226 Ile CB . 17446 1 1031 . 1 1 159 159 ILE N N 15 127.404 0.021 . 1 . . . . . 226 Ile N . 17446 1 1032 . 1 1 160 160 THR H H 1 8.926 0.007 . 1 . . . . . 227 Thr H . 17446 1 1033 . 1 1 160 160 THR HA H 1 3.956 0.001 . 1 . . . . . 227 Thr HA . 17446 1 1034 . 1 1 160 160 THR HB H 1 3.731 0.001 . 1 . . . . . 227 Thr HB . 17446 1 1035 . 1 1 160 160 THR C C 13 175.242 0.015 . 1 . . . . . 227 Thr C . 17446 1 1036 . 1 1 160 160 THR CA C 13 65.286 0.048 . 1 . . . . . 227 Thr CA . 17446 1 1037 . 1 1 160 160 THR CB C 13 68.654 0.043 . 1 . . . . . 227 Thr CB . 17446 1 1038 . 1 1 160 160 THR N N 15 127.317 0.029 . 1 . . . . . 227 Thr N . 17446 1 1039 . 1 1 161 161 GLY H H 1 8.848 0.005 . 1 . . . . . 228 Gly H . 17446 1 1040 . 1 1 161 161 GLY HA2 H 1 3.645 0.001 . 2 . . . . . 228 Gly HA2 . 17446 1 1041 . 1 1 161 161 GLY HA3 H 1 4.147 0.001 . 2 . . . . . 228 Gly HA3 . 17446 1 1042 . 1 1 161 161 GLY C C 13 174.619 0.004 . 1 . . . . . 228 Gly C . 17446 1 1043 . 1 1 161 161 GLY CA C 13 45.284 0.022 . 1 . . . . . 228 Gly CA . 17446 1 1044 . 1 1 161 161 GLY N N 15 114.997 0.019 . 1 . . . . . 228 Gly N . 17446 1 1045 . 1 1 162 162 GLY H H 1 7.506 0.003 . 1 . . . . . 229 Gly H . 17446 1 1046 . 1 1 162 162 GLY HA2 H 1 3.766 0.001 . 2 . . . . . 229 Gly HA2 . 17446 1 1047 . 1 1 162 162 GLY HA3 H 1 4.200 0.001 . 2 . . . . . 229 Gly HA3 . 17446 1 1048 . 1 1 162 162 GLY C C 13 173.740 0.004 . 1 . . . . . 229 Gly C . 17446 1 1049 . 1 1 162 162 GLY CA C 13 44.629 0.007 . 1 . . . . . 229 Gly CA . 17446 1 1050 . 1 1 162 162 GLY N N 15 106.254 0.020 . 1 . . . . . 229 Gly N . 17446 1 1051 . 1 1 163 163 ALA H H 1 8.465 0.003 . 1 . . . . . 230 Ala H . 17446 1 1052 . 1 1 163 163 ALA HA H 1 4.023 0.001 . 1 . . . . . 230 Ala HA . 17446 1 1053 . 1 1 163 163 ALA HB1 H 1 1.488 0.001 . 1 . . . . . 230 Ala HB1 . 17446 1 1054 . 1 1 163 163 ALA HB2 H 1 1.488 0.001 . 1 . . . . . 230 Ala HB2 . 17446 1 1055 . 1 1 163 163 ALA HB3 H 1 1.488 0.001 . 1 . . . . . 230 Ala HB3 . 17446 1 1056 . 1 1 163 163 ALA C C 13 181.022 0.003 . 1 . . . . . 230 Ala C . 17446 1 1057 . 1 1 163 163 ALA CA C 13 55.542 0.033 . 1 . . . . . 230 Ala CA . 17446 1 1058 . 1 1 163 163 ALA CB C 13 18.664 0.013 . 1 . . . . . 230 Ala CB . 17446 1 1059 . 1 1 163 163 ALA N N 15 119.735 0.008 . 1 . . . . . 230 Ala N . 17446 1 1060 . 1 1 164 164 ALA H H 1 8.024 0.002 . 1 . . . . . 231 Ala H . 17446 1 1061 . 1 1 164 164 ALA HA H 1 4.180 0.001 . 1 . . . . . 231 Ala HA . 17446 1 1062 . 1 1 164 164 ALA HB1 H 1 1.486 0.001 . 1 . . . . . 231 Ala HB1 . 17446 1 1063 . 1 1 164 164 ALA HB2 H 1 1.486 0.001 . 1 . . . . . 231 Ala HB2 . 17446 1 1064 . 1 1 164 164 ALA HB3 H 1 1.486 0.001 . 1 . . . . . 231 Ala HB3 . 17446 1 1065 . 1 1 164 164 ALA C C 13 181.253 0.005 . 1 . . . . . 231 Ala C . 17446 1 1066 . 1 1 164 164 ALA CA C 13 54.771 0.020 . 1 . . . . . 231 Ala CA . 17446 1 1067 . 1 1 164 164 ALA CB C 13 18.913 0.013 . 1 . . . . . 231 Ala CB . 17446 1 1068 . 1 1 164 164 ALA N N 15 118.835 0.018 . 1 . . . . . 231 Ala N . 17446 1 1069 . 1 1 165 165 ALA H H 1 9.602 0.004 . 1 . . . . . 232 Ala H . 17446 1 1070 . 1 1 165 165 ALA HA H 1 3.926 0.001 . 1 . . . . . 232 Ala HA . 17446 1 1071 . 1 1 165 165 ALA HB1 H 1 1.441 0.001 . 1 . . . . . 232 Ala HB1 . 17446 1 1072 . 1 1 165 165 ALA HB2 H 1 1.441 0.001 . 1 . . . . . 232 Ala HB2 . 17446 1 1073 . 1 1 165 165 ALA HB3 H 1 1.441 0.001 . 1 . . . . . 232 Ala HB3 . 17446 1 1074 . 1 1 165 165 ALA C C 13 179.473 0.001 . 1 . . . . . 232 Ala C . 17446 1 1075 . 1 1 165 165 ALA CA C 13 54.952 0.001 . 1 . . . . . 232 Ala CA . 17446 1 1076 . 1 1 165 165 ALA CB C 13 18.642 0.001 . 1 . . . . . 232 Ala CB . 17446 1 1077 . 1 1 165 165 ALA N N 15 126.940 0.029 . 1 . . . . . 232 Ala N . 17446 1 1078 . 1 1 166 166 GLN H H 1 8.199 0.003 . 1 . . . . . 233 Gln H . 17446 1 1079 . 1 1 166 166 GLN HA H 1 3.898 0.001 . 1 . . . . . 233 Gln HA . 17446 1 1080 . 1 1 166 166 GLN HB3 H 1 2.008 0.001 . 2 . . . . . 233 Gln HB3 . 17446 1 1081 . 1 1 166 166 GLN C C 13 177.867 0.002 . 1 . . . . . 233 Gln C . 17446 1 1082 . 1 1 166 166 GLN CA C 13 58.591 0.035 . 1 . . . . . 233 Gln CA . 17446 1 1083 . 1 1 166 166 GLN CB C 13 28.834 0.019 . 1 . . . . . 233 Gln CB . 17446 1 1084 . 1 1 166 166 GLN N N 15 116.893 0.017 . 1 . . . . . 233 Gln N . 17446 1 1085 . 1 1 167 167 ASP H H 1 7.629 0.003 . 1 . . . . . 234 Asp H . 17446 1 1086 . 1 1 167 167 ASP HA H 1 4.366 0.001 . 1 . . . . . 234 Asp HA . 17446 1 1087 . 1 1 167 167 ASP C C 13 177.665 0.004 . 1 . . . . . 234 Asp C . 17446 1 1088 . 1 1 167 167 ASP CA C 13 56.978 0.041 . 1 . . . . . 234 Asp CA . 17446 1 1089 . 1 1 167 167 ASP CB C 13 43.842 0.021 . 1 . . . . . 234 Asp CB . 17446 1 1090 . 1 1 167 167 ASP N N 15 118.033 0.013 . 1 . . . . . 234 Asp N . 17446 1 1091 . 1 1 168 168 GLY H H 1 7.476 0.003 . 1 . . . . . 235 Gly H . 17446 1 1092 . 1 1 168 168 GLY HA2 H 1 4.000 0.001 . 2 . . . . . 235 Gly HA2 . 17446 1 1093 . 1 1 168 168 GLY HA3 H 1 3.763 0.001 . 2 . . . . . 235 Gly HA3 . 17446 1 1094 . 1 1 168 168 GLY C C 13 174.561 0.003 . 1 . . . . . 235 Gly C . 17446 1 1095 . 1 1 168 168 GLY CA C 13 46.393 0.023 . 1 . . . . . 235 Gly CA . 17446 1 1096 . 1 1 168 168 GLY N N 15 102.876 0.011 . 1 . . . . . 235 Gly N . 17446 1 1097 . 1 1 169 169 ARG H H 1 7.666 0.003 . 1 . . . . . 236 Arg H . 17446 1 1098 . 1 1 169 169 ARG HA H 1 4.164 0.001 . 1 . . . . . 236 Arg HA . 17446 1 1099 . 1 1 169 169 ARG C C 13 176.864 0.001 . 1 . . . . . 236 Arg C . 17446 1 1100 . 1 1 169 169 ARG CA C 13 58.464 0.037 . 1 . . . . . 236 Arg CA . 17446 1 1101 . 1 1 169 169 ARG CB C 13 33.320 0.027 . 1 . . . . . 236 Arg CB . 17446 1 1102 . 1 1 169 169 ARG N N 15 119.754 0.016 . 1 . . . . . 236 Arg N . 17446 1 1103 . 1 1 170 170 LEU H H 1 9.042 0.003 . 1 . . . . . 237 Leu H . 17446 1 1104 . 1 1 170 170 LEU HA H 1 3.809 0.001 . 1 . . . . . 237 Leu HA . 17446 1 1105 . 1 1 170 170 LEU C C 13 176.092 0.008 . 1 . . . . . 237 Leu C . 17446 1 1106 . 1 1 170 170 LEU CA C 13 55.130 0.004 . 1 . . . . . 237 Leu CA . 17446 1 1107 . 1 1 170 170 LEU CB C 13 43.347 0.097 . 1 . . . . . 237 Leu CB . 17446 1 1108 . 1 1 170 170 LEU N N 15 120.242 0.039 . 1 . . . . . 237 Leu N . 17446 1 1109 . 1 1 171 171 ARG H H 1 8.623 0.003 . 1 . . . . . 238 Arg H . 17446 1 1110 . 1 1 171 171 ARG HA H 1 4.430 0.001 . 1 . . . . . 238 Arg HA . 17446 1 1111 . 1 1 171 171 ARG C C 13 176.020 0.004 . 1 . . . . . 238 Arg C . 17446 1 1112 . 1 1 171 171 ARG CA C 13 53.434 0.001 . 1 . . . . . 238 Arg CA . 17446 1 1113 . 1 1 171 171 ARG CB C 13 33.100 0.011 . 1 . . . . . 238 Arg CB . 17446 1 1114 . 1 1 171 171 ARG N N 15 122.168 0.020 . 1 . . . . . 238 Arg N . 17446 1 1115 . 1 1 172 172 VAL H H 1 8.274 0.003 . 1 . . . . . 239 Val H . 17446 1 1116 . 1 1 172 172 VAL HA H 1 3.177 0.001 . 1 . . . . . 239 Val HA . 17446 1 1117 . 1 1 172 172 VAL C C 13 177.971 0.001 . 1 . . . . . 239 Val C . 17446 1 1118 . 1 1 172 172 VAL CA C 13 65.580 0.040 . 1 . . . . . 239 Val CA . 17446 1 1119 . 1 1 172 172 VAL CB C 13 31.078 0.001 . 1 . . . . . 239 Val CB . 17446 1 1120 . 1 1 172 172 VAL N N 15 120.673 0.038 . 1 . . . . . 239 Val N . 17446 1 1121 . 1 1 173 173 ASN H H 1 9.379 0.004 . 1 . . . . . 240 Asn H . 17446 1 1122 . 1 1 173 173 ASN HA H 1 4.321 0.001 . 1 . . . . . 240 Asn HA . 17446 1 1123 . 1 1 173 173 ASN HB3 H 1 3.033 0.001 . 2 . . . . . 240 Asn HB3 . 17446 1 1124 . 1 1 173 173 ASN C C 13 174.337 0.002 . 1 . . . . . 240 Asn C . 17446 1 1125 . 1 1 173 173 ASN CB C 13 36.920 0.009 . 1 . . . . . 240 Asn CB . 17446 1 1126 . 1 1 173 173 ASN N N 15 120.698 0.021 . 1 . . . . . 240 Asn N . 17446 1 1127 . 1 1 174 174 ASP H H 1 8.007 0.002 . 1 . . . . . 241 Asp H . 17446 1 1128 . 1 1 174 174 ASP HA H 1 4.479 0.001 . 1 . . . . . 241 Asp HA . 17446 1 1129 . 1 1 174 174 ASP HB3 H 1 2.691 0.001 . 2 . . . . . 241 Asp HB3 . 17446 1 1130 . 1 1 174 174 ASP C C 13 175.287 0.001 . 1 . . . . . 241 Asp C . 17446 1 1131 . 1 1 174 174 ASP CA C 13 56.481 0.030 . 1 . . . . . 241 Asp CA . 17446 1 1132 . 1 1 174 174 ASP CB C 13 40.698 0.014 . 1 . . . . . 241 Asp CB . 17446 1 1133 . 1 1 174 174 ASP N N 15 122.100 0.019 . 1 . . . . . 241 Asp N . 17446 1 1134 . 1 1 175 175 CYS H H 1 8.624 0.005 . 1 . . . . . 242 Cys H . 17446 1 1135 . 1 1 175 175 CYS HA H 1 5.099 0.001 . 1 . . . . . 242 Cys HA . 17446 1 1136 . 1 1 175 175 CYS HB2 H 1 2.462 0.001 . 2 . . . . . 242 Cys HB2 . 17446 1 1137 . 1 1 175 175 CYS HB3 H 1 2.513 0.001 . 2 . . . . . 242 Cys HB3 . 17446 1 1138 . 1 1 175 175 CYS C C 13 175.231 0.005 . 1 . . . . . 242 Cys C . 17446 1 1139 . 1 1 175 175 CYS CA C 13 56.213 0.034 . 1 . . . . . 242 Cys CA . 17446 1 1140 . 1 1 175 175 CYS CB C 13 28.202 0.005 . 1 . . . . . 242 Cys CB . 17446 1 1141 . 1 1 175 175 CYS N N 15 119.747 0.021 . 1 . . . . . 242 Cys N . 17446 1 1142 . 1 1 176 176 ILE H H 1 8.459 0.002 . 1 . . . . . 243 Ile H . 17446 1 1143 . 1 1 176 176 ILE HA H 1 3.861 0.002 . 1 . . . . . 243 Ile HA . 17446 1 1144 . 1 1 176 176 ILE HB H 1 1.391 0.001 . 1 . . . . . 243 Ile HB . 17446 1 1145 . 1 1 176 176 ILE C C 13 173.852 0.001 . 1 . . . . . 243 Ile C . 17446 1 1146 . 1 1 176 176 ILE CA C 13 61.745 0.083 . 1 . . . . . 243 Ile CA . 17446 1 1147 . 1 1 176 176 ILE CB C 13 38.762 0.044 . 1 . . . . . 243 Ile CB . 17446 1 1148 . 1 1 176 176 ILE N N 15 125.122 0.018 . 1 . . . . . 243 Ile N . 17446 1 1149 . 1 1 177 177 LEU H H 1 9.175 0.003 . 1 . . . . . 244 Leu H . 17446 1 1150 . 1 1 177 177 LEU HA H 1 4.269 0.001 . 1 . . . . . 244 Leu HA . 17446 1 1151 . 1 1 177 177 LEU C C 13 177.605 0.001 . 1 . . . . . 244 Leu C . 17446 1 1152 . 1 1 177 177 LEU CA C 13 55.672 0.001 . 1 . . . . . 244 Leu CA . 17446 1 1153 . 1 1 177 177 LEU CB C 13 43.151 0.001 . 1 . . . . . 244 Leu CB . 17446 1 1154 . 1 1 177 177 LEU N N 15 125.658 0.035 . 1 . . . . . 244 Leu N . 17446 1 1155 . 1 1 178 178 ARG H H 1 7.584 0.004 . 1 . . . . . 245 Arg H . 17446 1 1156 . 1 1 178 178 ARG C C 13 173.996 0.001 . 1 . . . . . 245 Arg C . 17446 1 1157 . 1 1 178 178 ARG CA C 13 55.081 0.001 . 1 . . . . . 245 Arg CA . 17446 1 1158 . 1 1 178 178 ARG CB C 13 35.238 0.001 . 1 . . . . . 245 Arg CB . 17446 1 1159 . 1 1 178 178 ARG N N 15 117.931 0.022 . 1 . . . . . 245 Arg N . 17446 1 1160 . 1 1 179 179 VAL H H 1 8.520 0.002 . 1 . . . . . 246 Val H . 17446 1 1161 . 1 1 179 179 VAL N N 15 123.437 0.033 . 1 . . . . . 246 Val N . 17446 1 1162 . 1 1 181 181 GLU C C 13 175.568 0.001 . 1 . . . . . 248 Glu C . 17446 1 1163 . 1 1 181 181 GLU CA C 13 56.641 0.001 . 1 . . . . . 248 Glu CA . 17446 1 1164 . 1 1 181 181 GLU CB C 13 29.089 0.001 . 1 . . . . . 248 Glu CB . 17446 1 1165 . 1 1 182 182 ALA H H 1 8.568 0.004 . 1 . . . . . 249 Ala H . 17446 1 1166 . 1 1 182 182 ALA HA H 1 4.336 0.001 . 1 . . . . . 249 Ala HA . 17446 1 1167 . 1 1 182 182 ALA HB1 H 1 1.312 0.005 . 1 . . . . . 249 Ala HB1 . 17446 1 1168 . 1 1 182 182 ALA HB2 H 1 1.312 0.005 . 1 . . . . . 249 Ala HB2 . 17446 1 1169 . 1 1 182 182 ALA HB3 H 1 1.312 0.005 . 1 . . . . . 249 Ala HB3 . 17446 1 1170 . 1 1 182 182 ALA C C 13 175.546 0.004 . 1 . . . . . 249 Ala C . 17446 1 1171 . 1 1 182 182 ALA CA C 13 51.668 0.048 . 1 . . . . . 249 Ala CA . 17446 1 1172 . 1 1 182 182 ALA CB C 13 18.797 0.041 . 1 . . . . . 249 Ala CB . 17446 1 1173 . 1 1 182 182 ALA N N 15 125.569 0.034 . 1 . . . . . 249 Ala N . 17446 1 1174 . 1 1 183 183 ASP H H 1 8.500 0.004 . 1 . . . . . 250 Asp H . 17446 1 1175 . 1 1 183 183 ASP HA H 1 4.514 0.001 . 1 . . . . . 250 Asp HA . 17446 1 1176 . 1 1 183 183 ASP HB2 H 1 2.560 0.001 . 2 . . . . . 250 Asp HB2 . 17446 1 1177 . 1 1 183 183 ASP HB3 H 1 2.832 0.001 . 2 . . . . . 250 Asp HB3 . 17446 1 1178 . 1 1 183 183 ASP C C 13 177.716 0.006 . 1 . . . . . 250 Asp C . 17446 1 1179 . 1 1 183 183 ASP CA C 13 54.482 0.019 . 1 . . . . . 250 Asp CA . 17446 1 1180 . 1 1 183 183 ASP CB C 13 41.634 0.031 . 1 . . . . . 250 Asp CB . 17446 1 1181 . 1 1 183 183 ASP N N 15 125.033 0.022 . 1 . . . . . 250 Asp N . 17446 1 1182 . 1 1 184 184 VAL H H 1 8.047 0.003 . 1 . . . . . 251 Val H . 17446 1 1183 . 1 1 184 184 VAL HA H 1 4.603 0.001 . 1 . . . . . 251 Val HA . 17446 1 1184 . 1 1 184 184 VAL HB H 1 2.342 0.001 . 1 . . . . . 251 Val HB . 17446 1 1185 . 1 1 184 184 VAL C C 13 175.069 0.009 . 1 . . . . . 251 Val C . 17446 1 1186 . 1 1 184 184 VAL CA C 13 59.388 0.001 . 1 . . . . . 251 Val CA . 17446 1 1187 . 1 1 184 184 VAL CB C 13 30.320 0.001 . 1 . . . . . 251 Val CB . 17446 1 1188 . 1 1 184 184 VAL N N 15 118.776 0.026 . 1 . . . . . 251 Val N . 17446 1 1189 . 1 1 185 185 ARG H H 1 8.014 0.002 . 1 . . . . . 252 Arg H . 17446 1 1190 . 1 1 185 185 ARG C C 13 176.025 0.001 . 1 . . . . . 252 Arg C . 17446 1 1191 . 1 1 185 185 ARG N N 15 122.050 0.019 . 1 . . . . . 252 Arg N . 17446 1 1192 . 1 1 186 186 ASP H H 1 8.449 0.002 . 1 . . . . . 253 Asp H . 17446 1 1193 . 1 1 186 186 ASP HA H 1 4.352 0.001 . 1 . . . . . 253 Asp HA . 17446 1 1194 . 1 1 186 186 ASP HB2 H 1 2.585 0.001 . 2 . . . . . 253 Asp HB2 . 17446 1 1195 . 1 1 186 186 ASP HB3 H 1 2.313 0.001 . 2 . . . . . 253 Asp HB3 . 17446 1 1196 . 1 1 186 186 ASP C C 13 174.924 0.003 . 1 . . . . . 253 Asp C . 17446 1 1197 . 1 1 186 186 ASP CA C 13 54.193 0.012 . 1 . . . . . 253 Asp CA . 17446 1 1198 . 1 1 186 186 ASP CB C 13 40.471 0.046 . 1 . . . . . 253 Asp CB . 17446 1 1199 . 1 1 186 186 ASP N N 15 121.823 0.017 . 1 . . . . . 253 Asp N . 17446 1 1200 . 1 1 187 187 VAL H H 1 8.489 0.007 . 1 . . . . . 254 Val H . 17446 1 1201 . 1 1 187 187 VAL HA H 1 4.866 0.002 . 1 . . . . . 254 Val HA . 17446 1 1202 . 1 1 187 187 VAL HB H 1 2.188 0.001 . 1 . . . . . 254 Val HB . 17446 1 1203 . 1 1 187 187 VAL C C 13 176.015 0.001 . 1 . . . . . 254 Val C . 17446 1 1204 . 1 1 187 187 VAL CA C 13 58.621 0.017 . 1 . . . . . 254 Val CA . 17446 1 1205 . 1 1 187 187 VAL CB C 13 35.592 0.025 . 1 . . . . . 254 Val CB . 17446 1 1206 . 1 1 187 187 VAL N N 15 112.675 0.022 . 1 . . . . . 254 Val N . 17446 1 1207 . 1 1 188 188 THR H H 1 7.567 0.005 . 1 . . . . . 255 Thr H . 17446 1 1208 . 1 1 188 188 THR HA H 1 4.573 0.001 . 1 . . . . . 255 Thr HA . 17446 1 1209 . 1 1 188 188 THR HB H 1 4.360 0.001 . 1 . . . . . 255 Thr HB . 17446 1 1210 . 1 1 188 188 THR C C 13 175.452 0.002 . 1 . . . . . 255 Thr C . 17446 1 1211 . 1 1 188 188 THR CA C 13 61.052 0.058 . 1 . . . . . 255 Thr CA . 17446 1 1212 . 1 1 188 188 THR CB C 13 70.730 0.019 . 1 . . . . . 255 Thr CB . 17446 1 1213 . 1 1 188 188 THR N N 15 109.839 0.032 . 1 . . . . . 255 Thr N . 17446 1 1214 . 1 1 189 189 HIS H H 1 10.281 0.005 . 1 . . . . . 256 His H . 17446 1 1215 . 1 1 189 189 HIS HA H 1 3.940 0.001 . 1 . . . . . 256 His HA . 17446 1 1216 . 1 1 189 189 HIS HB2 H 1 3.592 0.001 . 2 . . . . . 256 His HB2 . 17446 1 1217 . 1 1 189 189 HIS HB3 H 1 3.246 0.001 . 2 . . . . . 256 His HB3 . 17446 1 1218 . 1 1 189 189 HIS C C 13 177.877 0.004 . 1 . . . . . 256 His C . 17446 1 1219 . 1 1 189 189 HIS CA C 13 61.635 0.055 . 1 . . . . . 256 His CA . 17446 1 1220 . 1 1 189 189 HIS CB C 13 28.937 0.027 . 1 . . . . . 256 His CB . 17446 1 1221 . 1 1 189 189 HIS N N 15 122.716 0.024 . 1 . . . . . 256 His N . 17446 1 1222 . 1 1 190 190 SER H H 1 9.226 0.006 . 1 . . . . . 257 Ser H . 17446 1 1223 . 1 1 190 190 SER HA H 1 3.965 0.001 . 1 . . . . . 257 Ser HA . 17446 1 1224 . 1 1 190 190 SER HB3 H 1 3.829 0.001 . 2 . . . . . 257 Ser HB3 . 17446 1 1225 . 1 1 190 190 SER C C 13 177.146 0.001 . 1 . . . . . 257 Ser C . 17446 1 1226 . 1 1 190 190 SER CA C 13 61.323 0.001 . 1 . . . . . 257 Ser CA . 17446 1 1227 . 1 1 190 190 SER CB C 13 62.406 0.001 . 1 . . . . . 257 Ser CB . 17446 1 1228 . 1 1 190 190 SER N N 15 110.933 0.029 . 1 . . . . . 257 Ser N . 17446 1 1229 . 1 1 191 191 LYS H H 1 7.560 0.002 . 1 . . . . . 258 Lys H . 17446 1 1230 . 1 1 191 191 LYS HA H 1 4.035 0.001 . 1 . . . . . 258 Lys HA . 17446 1 1231 . 1 1 191 191 LYS HB2 H 1 1.895 0.001 . 2 . . . . . 258 Lys HB2 . 17446 1 1232 . 1 1 191 191 LYS HB3 H 1 1.785 0.001 . 2 . . . . . 258 Lys HB3 . 17446 1 1233 . 1 1 191 191 LYS C C 13 179.006 0.001 . 1 . . . . . 258 Lys C . 17446 1 1234 . 1 1 191 191 LYS CA C 13 58.245 0.073 . 1 . . . . . 258 Lys CA . 17446 1 1235 . 1 1 191 191 LYS CB C 13 31.563 0.010 . 1 . . . . . 258 Lys CB . 17446 1 1236 . 1 1 191 191 LYS N N 15 123.250 0.009 . 1 . . . . . 258 Lys N . 17446 1 1237 . 1 1 192 192 ALA H H 1 7.773 0.002 . 1 . . . . . 259 Ala H . 17446 1 1238 . 1 1 192 192 ALA HA H 1 3.832 0.008 . 1 . . . . . 259 Ala HA . 17446 1 1239 . 1 1 192 192 ALA HB1 H 1 1.198 0.001 . 1 . . . . . 259 Ala HB1 . 17446 1 1240 . 1 1 192 192 ALA HB2 H 1 1.198 0.001 . 1 . . . . . 259 Ala HB2 . 17446 1 1241 . 1 1 192 192 ALA HB3 H 1 1.198 0.001 . 1 . . . . . 259 Ala HB3 . 17446 1 1242 . 1 1 192 192 ALA C C 13 178.427 0.001 . 1 . . . . . 259 Ala C . 17446 1 1243 . 1 1 192 192 ALA CA C 13 55.489 0.001 . 1 . . . . . 259 Ala CA . 17446 1 1244 . 1 1 192 192 ALA CB C 13 18.148 0.003 . 1 . . . . . 259 Ala CB . 17446 1 1245 . 1 1 192 192 ALA N N 15 123.775 0.023 . 1 . . . . . 259 Ala N . 17446 1 1246 . 1 1 193 193 VAL H H 1 7.960 0.004 . 1 . . . . . 260 Val H . 17446 1 1247 . 1 1 193 193 VAL HA H 1 3.262 0.001 . 1 . . . . . 260 Val HA . 17446 1 1248 . 1 1 193 193 VAL HB H 1 2.994 0.001 . 1 . . . . . 260 Val HB . 17446 1 1249 . 1 1 193 193 VAL C C 13 179.570 0.001 . 1 . . . . . 260 Val C . 17446 1 1250 . 1 1 193 193 VAL CA C 13 66.932 0.001 . 1 . . . . . 260 Val CA . 17446 1 1251 . 1 1 193 193 VAL CB C 13 31.845 0.001 . 1 . . . . . 260 Val CB . 17446 1 1252 . 1 1 193 193 VAL N N 15 117.407 0.029 . 1 . . . . . 260 Val N . 17446 1 1253 . 1 1 194 194 GLU HA H 1 3.866 0.001 . 1 . . . . . 261 Glu HA . 17446 1 1254 . 1 1 194 194 GLU C C 13 177.676 0.001 . 1 . . . . . 261 Glu C . 17446 1 1255 . 1 1 194 194 GLU CA C 13 59.326 0.040 . 1 . . . . . 261 Glu CA . 17446 1 1256 . 1 1 194 194 GLU CB C 13 29.754 0.011 . 1 . . . . . 261 Glu CB . 17446 1 1257 . 1 1 195 195 ALA H H 1 8.073 0.004 . 1 . . . . . 262 Ala H . 17446 1 1258 . 1 1 195 195 ALA HA H 1 3.947 0.001 . 1 . . . . . 262 Ala HA . 17446 1 1259 . 1 1 195 195 ALA HB1 H 1 1.266 0.001 . 1 . . . . . 262 Ala HB1 . 17446 1 1260 . 1 1 195 195 ALA HB2 H 1 1.266 0.001 . 1 . . . . . 262 Ala HB2 . 17446 1 1261 . 1 1 195 195 ALA HB3 H 1 1.266 0.001 . 1 . . . . . 262 Ala HB3 . 17446 1 1262 . 1 1 195 195 ALA C C 13 180.905 0.003 . 1 . . . . . 262 Ala C . 17446 1 1263 . 1 1 195 195 ALA CA C 13 54.839 0.018 . 1 . . . . . 262 Ala CA . 17446 1 1264 . 1 1 195 195 ALA CB C 13 16.939 0.001 . 1 . . . . . 262 Ala CB . 17446 1 1265 . 1 1 195 195 ALA N N 15 121.215 0.023 . 1 . . . . . 262 Ala N . 17446 1 1266 . 1 1 196 196 LEU H H 1 7.574 0.003 . 1 . . . . . 263 Leu H . 17446 1 1267 . 1 1 196 196 LEU HA H 1 3.822 0.001 . 1 . . . . . 263 Leu HA . 17446 1 1268 . 1 1 196 196 LEU HB3 H 1 1.250 0.001 . 2 . . . . . 263 Leu HB3 . 17446 1 1269 . 1 1 196 196 LEU C C 13 178.489 0.002 . 1 . . . . . 263 Leu C . 17446 1 1270 . 1 1 196 196 LEU CA C 13 57.949 0.001 . 1 . . . . . 263 Leu CA . 17446 1 1271 . 1 1 196 196 LEU CB C 13 41.767 0.001 . 1 . . . . . 263 Leu CB . 17446 1 1272 . 1 1 196 196 LEU N N 15 115.973 0.013 . 1 . . . . . 263 Leu N . 17446 1 1273 . 1 1 197 197 LYS H H 1 8.036 0.001 . 1 . . . . . 264 Lys H . 17446 1 1274 . 1 1 197 197 LYS HA H 1 3.939 0.001 . 1 . . . . . 264 Lys HA . 17446 1 1275 . 1 1 197 197 LYS HB3 H 1 1.875 0.001 . 2 . . . . . 264 Lys HB3 . 17446 1 1276 . 1 1 197 197 LYS C C 13 179.089 0.003 . 1 . . . . . 264 Lys C . 17446 1 1277 . 1 1 197 197 LYS CA C 13 59.472 0.001 . 1 . . . . . 264 Lys CA . 17446 1 1278 . 1 1 197 197 LYS CB C 13 32.900 0.001 . 1 . . . . . 264 Lys CB . 17446 1 1279 . 1 1 197 197 LYS N N 15 121.432 0.032 . 1 . . . . . 264 Lys N . 17446 1 1280 . 1 1 198 198 GLU H H 1 8.218 0.002 . 1 . . . . . 265 Glu H . 17446 1 1281 . 1 1 198 198 GLU HA H 1 4.194 0.001 . 1 . . . . . 265 Glu HA . 17446 1 1282 . 1 1 198 198 GLU HB2 H 1 2.161 0.001 . 2 . . . . . 265 Glu HB2 . 17446 1 1283 . 1 1 198 198 GLU HB3 H 1 1.803 0.001 . 2 . . . . . 265 Glu HB3 . 17446 1 1284 . 1 1 198 198 GLU C C 13 176.907 0.001 . 1 . . . . . 265 Glu C . 17446 1 1285 . 1 1 198 198 GLU CA C 13 56.378 0.002 . 1 . . . . . 265 Glu CA . 17446 1 1286 . 1 1 198 198 GLU CB C 13 29.217 0.026 . 1 . . . . . 265 Glu CB . 17446 1 1287 . 1 1 198 198 GLU N N 15 115.992 0.044 . 1 . . . . . 265 Glu N . 17446 1 1288 . 1 1 199 199 ALA H H 1 6.874 0.004 . 1 . . . . . 266 Ala H . 17446 1 1289 . 1 1 199 199 ALA HA H 1 4.115 0.001 . 1 . . . . . 266 Ala HA . 17446 1 1290 . 1 1 199 199 ALA HB1 H 1 1.426 0.001 . 1 . . . . . 266 Ala HB1 . 17446 1 1291 . 1 1 199 199 ALA HB2 H 1 1.426 0.001 . 1 . . . . . 266 Ala HB2 . 17446 1 1292 . 1 1 199 199 ALA HB3 H 1 1.426 0.001 . 1 . . . . . 266 Ala HB3 . 17446 1 1293 . 1 1 199 199 ALA C C 13 176.486 0.001 . 1 . . . . . 266 Ala C . 17446 1 1294 . 1 1 199 199 ALA CA C 13 53.461 0.028 . 1 . . . . . 266 Ala CA . 17446 1 1295 . 1 1 199 199 ALA CB C 13 20.300 0.005 . 1 . . . . . 266 Ala CB . 17446 1 1296 . 1 1 199 199 ALA N N 15 119.975 0.014 . 1 . . . . . 266 Ala N . 17446 1 1297 . 1 1 200 200 GLY H H 1 7.756 0.005 . 1 . . . . . 267 Gly H . 17446 1 1298 . 1 1 200 200 GLY HA2 H 1 3.651 0.001 . 2 . . . . . 267 Gly HA2 . 17446 1 1299 . 1 1 200 200 GLY HA3 H 1 4.182 0.001 . 2 . . . . . 267 Gly HA3 . 17446 1 1300 . 1 1 200 200 GLY C C 13 175.156 0.001 . 1 . . . . . 267 Gly C . 17446 1 1301 . 1 1 200 200 GLY CA C 13 44.412 0.006 . 1 . . . . . 267 Gly CA . 17446 1 1302 . 1 1 200 200 GLY N N 15 103.395 0.029 . 1 . . . . . 267 Gly N . 17446 1 1303 . 1 1 201 201 SER H H 1 8.541 0.003 . 1 . . . . . 268 Ser H . 17446 1 1304 . 1 1 201 201 SER HA H 1 4.131 0.001 . 1 . . . . . 268 Ser HA . 17446 1 1305 . 1 1 201 201 SER HB3 H 1 3.892 0.001 . 2 . . . . . 268 Ser HB3 . 17446 1 1306 . 1 1 201 201 SER C C 13 173.618 0.001 . 1 . . . . . 268 Ser C . 17446 1 1307 . 1 1 201 201 SER CA C 13 61.300 0.015 . 1 . . . . . 268 Ser CA . 17446 1 1308 . 1 1 201 201 SER CB C 13 63.562 0.011 . 1 . . . . . 268 Ser CB . 17446 1 1309 . 1 1 201 201 SER N N 15 115.631 0.026 . 1 . . . . . 268 Ser N . 17446 1 1310 . 1 1 202 202 ILE H H 1 7.559 0.002 . 1 . . . . . 269 Ile H . 17446 1 1311 . 1 1 202 202 ILE HA H 1 4.590 0.001 . 1 . . . . . 269 Ile HA . 17446 1 1312 . 1 1 202 202 ILE HB H 1 1.709 0.001 . 1 . . . . . 269 Ile HB . 17446 1 1313 . 1 1 202 202 ILE C C 13 174.889 0.001 . 1 . . . . . 269 Ile C . 17446 1 1314 . 1 1 202 202 ILE CA C 13 60.151 0.039 . 1 . . . . . 269 Ile CA . 17446 1 1315 . 1 1 202 202 ILE CB C 13 38.334 0.054 . 1 . . . . . 269 Ile CB . 17446 1 1316 . 1 1 202 202 ILE N N 15 120.916 0.025 . 1 . . . . . 269 Ile N . 17446 1 1317 . 1 1 203 203 VAL H H 1 9.064 0.004 . 1 . . . . . 270 Val H . 17446 1 1318 . 1 1 203 203 VAL HA H 1 4.295 0.001 . 1 . . . . . 270 Val HA . 17446 1 1319 . 1 1 203 203 VAL HB H 1 1.870 0.001 . 1 . . . . . 270 Val HB . 17446 1 1320 . 1 1 203 203 VAL C C 13 173.650 0.003 . 1 . . . . . 270 Val C . 17446 1 1321 . 1 1 203 203 VAL CA C 13 61.579 0.064 . 1 . . . . . 270 Val CA . 17446 1 1322 . 1 1 203 203 VAL CB C 13 33.806 0.050 . 1 . . . . . 270 Val CB . 17446 1 1323 . 1 1 203 203 VAL N N 15 127.971 0.022 . 1 . . . . . 270 Val N . 17446 1 1324 . 1 1 204 204 ARG H H 1 9.032 0.003 . 1 . . . . . 271 Arg H . 17446 1 1325 . 1 1 204 204 ARG HA H 1 4.813 0.001 . 1 . . . . . 271 Arg HA . 17446 1 1326 . 1 1 204 204 ARG HB3 H 1 1.710 0.001 . 2 . . . . . 271 Arg HB3 . 17446 1 1327 . 1 1 204 204 ARG C C 13 175.513 0.004 . 1 . . . . . 271 Arg C . 17446 1 1328 . 1 1 204 204 ARG CA C 13 54.905 0.015 . 1 . . . . . 271 Arg CA . 17446 1 1329 . 1 1 204 204 ARG CB C 13 30.949 0.066 . 1 . . . . . 271 Arg CB . 17446 1 1330 . 1 1 204 204 ARG N N 15 127.567 0.020 . 1 . . . . . 271 Arg N . 17446 1 1331 . 1 1 205 205 LEU H H 1 9.428 0.003 . 1 . . . . . 272 Leu H . 17446 1 1332 . 1 1 205 205 LEU HA H 1 5.056 0.001 . 1 . . . . . 272 Leu HA . 17446 1 1333 . 1 1 205 205 LEU C C 13 174.798 0.004 . 1 . . . . . 272 Leu C . 17446 1 1334 . 1 1 205 205 LEU CA C 13 53.107 0.021 . 1 . . . . . 272 Leu CA . 17446 1 1335 . 1 1 205 205 LEU CB C 13 44.382 0.061 . 1 . . . . . 272 Leu CB . 17446 1 1336 . 1 1 205 205 LEU N N 15 126.819 0.024 . 1 . . . . . 272 Leu N . 17446 1 1337 . 1 1 206 206 TYR H H 1 8.311 0.003 . 1 . . . . . 273 Tyr H . 17446 1 1338 . 1 1 206 206 TYR HA H 1 5.316 0.001 . 1 . . . . . 273 Tyr HA . 17446 1 1339 . 1 1 206 206 TYR HB3 H 1 2.905 0.001 . 2 . . . . . 273 Tyr HB3 . 17446 1 1340 . 1 1 206 206 TYR C C 13 175.117 0.007 . 1 . . . . . 273 Tyr C . 17446 1 1341 . 1 1 206 206 TYR CA C 13 56.400 0.034 . 1 . . . . . 273 Tyr CA . 17446 1 1342 . 1 1 206 206 TYR CB C 13 40.230 0.059 . 1 . . . . . 273 Tyr CB . 17446 1 1343 . 1 1 206 206 TYR N N 15 125.284 0.029 . 1 . . . . . 273 Tyr N . 17446 1 1344 . 1 1 207 207 VAL H H 1 8.777 0.004 . 1 . . . . . 274 Val H . 17446 1 1345 . 1 1 207 207 VAL HA H 1 5.394 0.001 . 1 . . . . . 274 Val HA . 17446 1 1346 . 1 1 207 207 VAL C C 13 173.251 0.001 . 1 . . . . . 274 Val C . 17446 1 1347 . 1 1 207 207 VAL CA C 13 58.325 0.031 . 1 . . . . . 274 Val CA . 17446 1 1348 . 1 1 207 207 VAL CB C 13 35.545 0.028 . 1 . . . . . 274 Val CB . 17446 1 1349 . 1 1 207 207 VAL N N 15 121.309 0.019 . 1 . . . . . 274 Val N . 17446 1 1350 . 1 1 208 208 LYS H H 1 8.597 0.003 . 1 . . . . . 275 Lys H . 17446 1 1351 . 1 1 208 208 LYS HA H 1 5.039 0.001 . 1 . . . . . 275 Lys HA . 17446 1 1352 . 1 1 208 208 LYS HB3 H 1 1.093 0.001 . 2 . . . . . 275 Lys HB3 . 17446 1 1353 . 1 1 208 208 LYS C C 13 174.285 0.001 . 1 . . . . . 275 Lys C . 17446 1 1354 . 1 1 208 208 LYS CA C 13 53.393 0.038 . 1 . . . . . 275 Lys CA . 17446 1 1355 . 1 1 208 208 LYS CB C 13 37.369 0.077 . 1 . . . . . 275 Lys CB . 17446 1 1356 . 1 1 208 208 LYS N N 15 117.992 0.008 . 1 . . . . . 275 Lys N . 17446 1 1357 . 1 1 209 209 ARG H H 1 8.879 0.004 . 1 . . . . . 276 Arg H . 17446 1 1358 . 1 1 209 209 ARG HA H 1 4.974 0.001 . 1 . . . . . 276 Arg HA . 17446 1 1359 . 1 1 209 209 ARG C C 13 174.393 0.011 . 1 . . . . . 276 Arg C . 17446 1 1360 . 1 1 209 209 ARG CA C 13 53.963 0.014 . 1 . . . . . 276 Arg CA . 17446 1 1361 . 1 1 209 209 ARG CB C 13 34.274 0.019 . 1 . . . . . 276 Arg CB . 17446 1 1362 . 1 1 209 209 ARG N N 15 120.816 0.026 . 1 . . . . . 276 Arg N . 17446 1 1363 . 1 1 210 210 ARG H H 1 8.505 0.003 . 1 . . . . . 277 Arg H . 17446 1 1364 . 1 1 210 210 ARG HA H 1 3.914 0.001 . 1 . . . . . 277 Arg HA . 17446 1 1365 . 1 1 210 210 ARG HB2 H 1 1.527 0.001 . 2 . . . . . 277 Arg HB2 . 17446 1 1366 . 1 1 210 210 ARG HB3 H 1 1.704 0.001 . 2 . . . . . 277 Arg HB3 . 17446 1 1367 . 1 1 210 210 ARG C C 13 176.141 0.001 . 1 . . . . . 277 Arg C . 17446 1 1368 . 1 1 210 210 ARG CA C 13 56.464 0.001 . 1 . . . . . 277 Arg CA . 17446 1 1369 . 1 1 210 210 ARG CB C 13 30.183 0.001 . 1 . . . . . 277 Arg CB . 17446 1 1370 . 1 1 210 210 ARG N N 15 123.236 0.027 . 1 . . . . . 277 Arg N . 17446 1 1371 . 1 1 211 211 LYS H H 1 7.841 0.003 . 1 . . . . . 278 Lys H . 17446 1 1372 . 1 1 211 211 LYS HA H 1 3.821 0.001 . 1 . . . . . 278 Lys HA . 17446 1 1373 . 1 1 211 211 LYS HB2 H 1 1.360 0.001 . 2 . . . . . 278 Lys HB2 . 17446 1 1374 . 1 1 211 211 LYS HB3 H 1 1.557 0.001 . 2 . . . . . 278 Lys HB3 . 17446 1 1375 . 1 1 211 211 LYS C C 13 181.381 0.001 . 1 . . . . . 278 Lys C . 17446 1 1376 . 1 1 211 211 LYS CA C 13 58.548 0.001 . 1 . . . . . 278 Lys CA . 17446 1 1377 . 1 1 211 211 LYS CB C 13 33.473 0.001 . 1 . . . . . 278 Lys CB . 17446 1 1378 . 1 1 211 211 LYS N N 15 129.549 0.026 . 1 . . . . . 278 Lys N . 17446 1 stop_ save_