data_34300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34300 _Entry.Title ; Structural characterization of the Mycobacterium tuberculosis Protein Tyrosine Kinase A (PtkA) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-27 _Entry.Accession_date 2017-11-27 _Entry.Last_release_date 2018-07-27 _Entry.Original_release_date 2018-07-27 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34300 stop_ 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 A. Niesteruk A. . . . 34300 2 H. Jonker H. R.A. . . 34300 3 S. Sreeramulu S. . . . 34300 4 C. Richter C. . . . 34300 5 M. Hutchison M. . . . 34300 6 V. Linhard V. . . . 34300 7 H. Schwalbe H. . . . 34300 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSFERASE . 34300 'tyrosine kinase phosphorylation Mycobacterium tuberculosis' . 34300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 691 34300 '15N chemical shifts' 167 34300 '1H chemical shifts' 1077 34300 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-08-15 . original BMRB . 34300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6F2X . 34300 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34300 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA117.000120 _Citation.PubMed_ID 29884774 _Citation.Full_citation . _Citation.Title ; The domain architecture of the PtkA, the first tyrosine kinase from Mycobacterium tuberculosis differs from the conventional kinase architecture. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 293 _Citation.Journal_issue 30 _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _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 11823 _Citation.Page_last 11836 _Citation.Year 2018 _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 A. Niesteruk A. . . . 34300 1 2 H. Jonker H. R.A. . . 34300 1 3 C. Richter C. . . . 34300 1 4 V. Linhard V. . . . 34300 1 5 S. Sreeramulu S. . . . 34300 1 6 H. Schwalbe H. . . . 34300 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34300 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/1873-3468.13022 _Citation.PubMed_ID 29494752 _Citation.Full_citation . _Citation.Title ; Structural characterization of the intrinsically disordered domain of Mycobacterium tuberculosis protein tyrosine kinase A. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 592 _Citation.Journal_issue . _Citation.Journal_ASTM FEBLAL _Citation.Journal_ISSN 1873-3468 _Citation.Journal_CSD 0165 _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 1233 _Citation.Page_last 1245 _Citation.Year 2018 _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 A. Niesteruk A. . . . 34300 2 2 M. Hutchison M. . . . 34300 2 3 S. Sreeramulu S. . . . 34300 2 4 H. Jonker H. R.A. . . 34300 2 5 C. Richter C. . . . 34300 2 6 R. Abele R. . . . 34300 2 7 C. Bock C. . . . 34300 2 8 H. Schwalbe H. . . . 34300 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34300 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein Rv2232' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GESPQLVIFDLDGTLTDSAR GIVSSFRHALNHIGAPVPEG DLATHIVGPPMHETLRAMGL GESAEEAIVAYRADYSARGW AMNSLFDGIGPLLADLRTAG VRLAVATSKAEPTARRILRH FGIEQHFEVIAGASTDGSRG SKVDVLAHALAQLRPLPERL VMVGDRSHDVDGAAAHGIDT VVVGWGYGRADFIDKTSTTV VTHAATIDELREALGV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 216 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22874.760 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 76 GLY . 34300 1 2 77 GLU . 34300 1 3 78 SER . 34300 1 4 79 PRO . 34300 1 5 80 GLN . 34300 1 6 81 LEU . 34300 1 7 82 VAL . 34300 1 8 83 ILE . 34300 1 9 84 PHE . 34300 1 10 85 ASP . 34300 1 11 86 LEU . 34300 1 12 87 ASP . 34300 1 13 88 GLY . 34300 1 14 89 THR . 34300 1 15 90 LEU . 34300 1 16 91 THR . 34300 1 17 92 ASP . 34300 1 18 93 SER . 34300 1 19 94 ALA . 34300 1 20 95 ARG . 34300 1 21 96 GLY . 34300 1 22 97 ILE . 34300 1 23 98 VAL . 34300 1 24 99 SER . 34300 1 25 100 SER . 34300 1 26 101 PHE . 34300 1 27 102 ARG . 34300 1 28 103 HIS . 34300 1 29 104 ALA . 34300 1 30 105 LEU . 34300 1 31 106 ASN . 34300 1 32 107 HIS . 34300 1 33 108 ILE . 34300 1 34 109 GLY . 34300 1 35 110 ALA . 34300 1 36 111 PRO . 34300 1 37 112 VAL . 34300 1 38 113 PRO . 34300 1 39 114 GLU . 34300 1 40 115 GLY . 34300 1 41 116 ASP . 34300 1 42 117 LEU . 34300 1 43 118 ALA . 34300 1 44 119 THR . 34300 1 45 120 HIS . 34300 1 46 121 ILE . 34300 1 47 122 VAL . 34300 1 48 123 GLY . 34300 1 49 124 PRO . 34300 1 50 125 PRO . 34300 1 51 126 MET . 34300 1 52 127 HIS . 34300 1 53 128 GLU . 34300 1 54 129 THR . 34300 1 55 130 LEU . 34300 1 56 131 ARG . 34300 1 57 132 ALA . 34300 1 58 133 MET . 34300 1 59 134 GLY . 34300 1 60 135 LEU . 34300 1 61 136 GLY . 34300 1 62 137 GLU . 34300 1 63 138 SER . 34300 1 64 139 ALA . 34300 1 65 140 GLU . 34300 1 66 141 GLU . 34300 1 67 142 ALA . 34300 1 68 143 ILE . 34300 1 69 144 VAL . 34300 1 70 145 ALA . 34300 1 71 146 TYR . 34300 1 72 147 ARG . 34300 1 73 148 ALA . 34300 1 74 149 ASP . 34300 1 75 150 TYR . 34300 1 76 151 SER . 34300 1 77 152 ALA . 34300 1 78 153 ARG . 34300 1 79 154 GLY . 34300 1 80 155 TRP . 34300 1 81 156 ALA . 34300 1 82 157 MET . 34300 1 83 158 ASN . 34300 1 84 159 SER . 34300 1 85 160 LEU . 34300 1 86 161 PHE . 34300 1 87 162 ASP . 34300 1 88 163 GLY . 34300 1 89 164 ILE . 34300 1 90 165 GLY . 34300 1 91 166 PRO . 34300 1 92 167 LEU . 34300 1 93 168 LEU . 34300 1 94 169 ALA . 34300 1 95 170 ASP . 34300 1 96 171 LEU . 34300 1 97 172 ARG . 34300 1 98 173 THR . 34300 1 99 174 ALA . 34300 1 100 175 GLY . 34300 1 101 176 VAL . 34300 1 102 177 ARG . 34300 1 103 178 LEU . 34300 1 104 179 ALA . 34300 1 105 180 VAL . 34300 1 106 181 ALA . 34300 1 107 182 THR . 34300 1 108 183 SER . 34300 1 109 184 LYS . 34300 1 110 185 ALA . 34300 1 111 186 GLU . 34300 1 112 187 PRO . 34300 1 113 188 THR . 34300 1 114 189 ALA . 34300 1 115 190 ARG . 34300 1 116 191 ARG . 34300 1 117 192 ILE . 34300 1 118 193 LEU . 34300 1 119 194 ARG . 34300 1 120 195 HIS . 34300 1 121 196 PHE . 34300 1 122 197 GLY . 34300 1 123 198 ILE . 34300 1 124 199 GLU . 34300 1 125 200 GLN . 34300 1 126 201 HIS . 34300 1 127 202 PHE . 34300 1 128 203 GLU . 34300 1 129 204 VAL . 34300 1 130 205 ILE . 34300 1 131 206 ALA . 34300 1 132 207 GLY . 34300 1 133 208 ALA . 34300 1 134 209 SER . 34300 1 135 210 THR . 34300 1 136 211 ASP . 34300 1 137 212 GLY . 34300 1 138 213 SER . 34300 1 139 214 ARG . 34300 1 140 215 GLY . 34300 1 141 216 SER . 34300 1 142 217 LYS . 34300 1 143 218 VAL . 34300 1 144 219 ASP . 34300 1 145 220 VAL . 34300 1 146 221 LEU . 34300 1 147 222 ALA . 34300 1 148 223 HIS . 34300 1 149 224 ALA . 34300 1 150 225 LEU . 34300 1 151 226 ALA . 34300 1 152 227 GLN . 34300 1 153 228 LEU . 34300 1 154 229 ARG . 34300 1 155 230 PRO . 34300 1 156 231 LEU . 34300 1 157 232 PRO . 34300 1 158 233 GLU . 34300 1 159 234 ARG . 34300 1 160 235 LEU . 34300 1 161 236 VAL . 34300 1 162 237 MET . 34300 1 163 238 VAL . 34300 1 164 239 GLY . 34300 1 165 240 ASP . 34300 1 166 241 ARG . 34300 1 167 242 SER . 34300 1 168 243 HIS . 34300 1 169 244 ASP . 34300 1 170 245 VAL . 34300 1 171 246 ASP . 34300 1 172 247 GLY . 34300 1 173 248 ALA . 34300 1 174 249 ALA . 34300 1 175 250 ALA . 34300 1 176 251 HIS . 34300 1 177 252 GLY . 34300 1 178 253 ILE . 34300 1 179 254 ASP . 34300 1 180 255 THR . 34300 1 181 256 VAL . 34300 1 182 257 VAL . 34300 1 183 258 VAL . 34300 1 184 259 GLY . 34300 1 185 260 TRP . 34300 1 186 261 GLY . 34300 1 187 262 TYR . 34300 1 188 263 GLY . 34300 1 189 264 ARG . 34300 1 190 265 ALA . 34300 1 191 266 ASP . 34300 1 192 267 PHE . 34300 1 193 268 ILE . 34300 1 194 269 ASP . 34300 1 195 270 LYS . 34300 1 196 271 THR . 34300 1 197 272 SER . 34300 1 198 273 THR . 34300 1 199 274 THR . 34300 1 200 275 VAL . 34300 1 201 276 VAL . 34300 1 202 277 THR . 34300 1 203 278 HIS . 34300 1 204 279 ALA . 34300 1 205 280 ALA . 34300 1 206 281 THR . 34300 1 207 282 ILE . 34300 1 208 283 ASP . 34300 1 209 284 GLU . 34300 1 210 285 LEU . 34300 1 211 286 ARG . 34300 1 212 287 GLU . 34300 1 213 288 ALA . 34300 1 214 289 LEU . 34300 1 215 290 GLY . 34300 1 216 291 VAL . 34300 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34300 1 . GLU 2 2 34300 1 . SER 3 3 34300 1 . PRO 4 4 34300 1 . GLN 5 5 34300 1 . LEU 6 6 34300 1 . VAL 7 7 34300 1 . ILE 8 8 34300 1 . PHE 9 9 34300 1 . ASP 10 10 34300 1 . LEU 11 11 34300 1 . ASP 12 12 34300 1 . GLY 13 13 34300 1 . THR 14 14 34300 1 . LEU 15 15 34300 1 . THR 16 16 34300 1 . ASP 17 17 34300 1 . SER 18 18 34300 1 . ALA 19 19 34300 1 . ARG 20 20 34300 1 . GLY 21 21 34300 1 . ILE 22 22 34300 1 . VAL 23 23 34300 1 . SER 24 24 34300 1 . SER 25 25 34300 1 . PHE 26 26 34300 1 . ARG 27 27 34300 1 . HIS 28 28 34300 1 . ALA 29 29 34300 1 . LEU 30 30 34300 1 . ASN 31 31 34300 1 . HIS 32 32 34300 1 . ILE 33 33 34300 1 . GLY 34 34 34300 1 . ALA 35 35 34300 1 . PRO 36 36 34300 1 . VAL 37 37 34300 1 . PRO 38 38 34300 1 . GLU 39 39 34300 1 . GLY 40 40 34300 1 . ASP 41 41 34300 1 . LEU 42 42 34300 1 . ALA 43 43 34300 1 . THR 44 44 34300 1 . HIS 45 45 34300 1 . ILE 46 46 34300 1 . VAL 47 47 34300 1 . GLY 48 48 34300 1 . PRO 49 49 34300 1 . PRO 50 50 34300 1 . MET 51 51 34300 1 . HIS 52 52 34300 1 . GLU 53 53 34300 1 . THR 54 54 34300 1 . LEU 55 55 34300 1 . ARG 56 56 34300 1 . ALA 57 57 34300 1 . MET 58 58 34300 1 . GLY 59 59 34300 1 . LEU 60 60 34300 1 . GLY 61 61 34300 1 . GLU 62 62 34300 1 . SER 63 63 34300 1 . ALA 64 64 34300 1 . GLU 65 65 34300 1 . GLU 66 66 34300 1 . ALA 67 67 34300 1 . ILE 68 68 34300 1 . VAL 69 69 34300 1 . ALA 70 70 34300 1 . TYR 71 71 34300 1 . ARG 72 72 34300 1 . ALA 73 73 34300 1 . ASP 74 74 34300 1 . TYR 75 75 34300 1 . SER 76 76 34300 1 . ALA 77 77 34300 1 . ARG 78 78 34300 1 . GLY 79 79 34300 1 . TRP 80 80 34300 1 . ALA 81 81 34300 1 . MET 82 82 34300 1 . ASN 83 83 34300 1 . SER 84 84 34300 1 . LEU 85 85 34300 1 . PHE 86 86 34300 1 . ASP 87 87 34300 1 . GLY 88 88 34300 1 . ILE 89 89 34300 1 . GLY 90 90 34300 1 . PRO 91 91 34300 1 . LEU 92 92 34300 1 . LEU 93 93 34300 1 . ALA 94 94 34300 1 . ASP 95 95 34300 1 . LEU 96 96 34300 1 . ARG 97 97 34300 1 . THR 98 98 34300 1 . ALA 99 99 34300 1 . GLY 100 100 34300 1 . VAL 101 101 34300 1 . ARG 102 102 34300 1 . LEU 103 103 34300 1 . ALA 104 104 34300 1 . VAL 105 105 34300 1 . ALA 106 106 34300 1 . THR 107 107 34300 1 . SER 108 108 34300 1 . LYS 109 109 34300 1 . ALA 110 110 34300 1 . GLU 111 111 34300 1 . PRO 112 112 34300 1 . THR 113 113 34300 1 . ALA 114 114 34300 1 . ARG 115 115 34300 1 . ARG 116 116 34300 1 . ILE 117 117 34300 1 . LEU 118 118 34300 1 . ARG 119 119 34300 1 . HIS 120 120 34300 1 . PHE 121 121 34300 1 . GLY 122 122 34300 1 . ILE 123 123 34300 1 . GLU 124 124 34300 1 . GLN 125 125 34300 1 . HIS 126 126 34300 1 . PHE 127 127 34300 1 . GLU 128 128 34300 1 . VAL 129 129 34300 1 . ILE 130 130 34300 1 . ALA 131 131 34300 1 . GLY 132 132 34300 1 . ALA 133 133 34300 1 . SER 134 134 34300 1 . THR 135 135 34300 1 . ASP 136 136 34300 1 . GLY 137 137 34300 1 . SER 138 138 34300 1 . ARG 139 139 34300 1 . GLY 140 140 34300 1 . SER 141 141 34300 1 . LYS 142 142 34300 1 . VAL 143 143 34300 1 . ASP 144 144 34300 1 . VAL 145 145 34300 1 . LEU 146 146 34300 1 . ALA 147 147 34300 1 . HIS 148 148 34300 1 . ALA 149 149 34300 1 . LEU 150 150 34300 1 . ALA 151 151 34300 1 . GLN 152 152 34300 1 . LEU 153 153 34300 1 . ARG 154 154 34300 1 . PRO 155 155 34300 1 . LEU 156 156 34300 1 . PRO 157 157 34300 1 . GLU 158 158 34300 1 . ARG 159 159 34300 1 . LEU 160 160 34300 1 . VAL 161 161 34300 1 . MET 162 162 34300 1 . VAL 163 163 34300 1 . GLY 164 164 34300 1 . ASP 165 165 34300 1 . ARG 166 166 34300 1 . SER 167 167 34300 1 . HIS 168 168 34300 1 . ASP 169 169 34300 1 . VAL 170 170 34300 1 . ASP 171 171 34300 1 . GLY 172 172 34300 1 . ALA 173 173 34300 1 . ALA 174 174 34300 1 . ALA 175 175 34300 1 . HIS 176 176 34300 1 . GLY 177 177 34300 1 . ILE 178 178 34300 1 . ASP 179 179 34300 1 . THR 180 180 34300 1 . VAL 181 181 34300 1 . VAL 182 182 34300 1 . VAL 183 183 34300 1 . GLY 184 184 34300 1 . TRP 185 185 34300 1 . GLY 186 186 34300 1 . TYR 187 187 34300 1 . GLY 188 188 34300 1 . ARG 189 189 34300 1 . ALA 190 190 34300 1 . ASP 191 191 34300 1 . PHE 192 192 34300 1 . ILE 193 193 34300 1 . ASP 194 194 34300 1 . LYS 195 195 34300 1 . THR 196 196 34300 1 . SER 197 197 34300 1 . THR 198 198 34300 1 . THR 199 199 34300 1 . VAL 200 200 34300 1 . VAL 201 201 34300 1 . THR 202 202 34300 1 . HIS 203 203 34300 1 . ALA 204 204 34300 1 . ALA 205 205 34300 1 . THR 206 206 34300 1 . ILE 207 207 34300 1 . ASP 208 208 34300 1 . GLU 209 209 34300 1 . LEU 210 210 34300 1 . ARG 211 211 34300 1 . GLU 212 212 34300 1 . ALA 213 213 34300 1 . LEU 214 214 34300 1 . GLY 215 215 34300 1 . VAL 216 216 34300 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 34300 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 83332 organism . 'Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . '25618 / H37Rv' . . . 'Rv2232, MTCY427.13/MTCY427.14' . 34300 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 34300 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pET151/D-TOPO . . . 34300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34300 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM [U-15N] PtkA, 50 mM HEPES, 300 mM sodium chloride, 10 mM DTT, 10 mM magnesium chloride, 90% H2O/10% D2O' _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 PtkA [U-15N] . . 1 $entity_1 . . 0.2 . . mM . . . . 34300 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 34300 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 34300 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 34300 1 5 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34300 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34300 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM [U-13C; U-15N] PtkA, 50 mM HEPES, 300 mM sodium chloride, 10 mM DTT, 10 mM magnesium chloride, 90% H2O/10% D2O' _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 PtkA '[U-13C; U-15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 34300 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 34300 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 34300 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 34300 2 5 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34300 2 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 34300 _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' 354 . mM 34300 1 pH 7.5 . pH 34300 1 pressure 1 . mbar 34300 1 temperature 298 . K 34300 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34300 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34300 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34300 1 . processing 34300 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34300 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard and Kneller' . . 34300 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34300 2 . 'data analysis' 34300 2 . 'peak picking' 34300 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34300 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34300 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34300 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34300 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34300 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34300 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34300 _Software.ID 5 _Software.Type . _Software.Name ARIA _Software.Version '1.2 HJ development version' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34300 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34300 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34300 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34300 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34300 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34300 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 34300 1 2 NMR_spectrometer_2 Bruker Avance . 700 . . . 34300 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 34300 1 4 NMR_spectrometer_4 Bruker Avance . 950 . . . 34300 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 34300 _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 . . . 4 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34300 1 2 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34300 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34300 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34300 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34300 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34300 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34300 1 8 '3D HCC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34300 1 9 '3D CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34300 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34300 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34300 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34300 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34300 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34300 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34300 1 16 '2D 1H-15N HETNOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34300 1 17 '2D 1H-15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34300 1 18 '2D 1H-15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34300 1 19 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34300 1 20 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34300 _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 0.000 internal indirect 0.25144953 . . . . . 34300 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34300 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34300 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34300 _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 $chem_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 'backbone and sidechain resonance assignment of the C-terminal kinase core domain (KCD, 76-291) of PtkA.' _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' . . . 34300 1 2 '3D HNHA' . . . 34300 1 3 '3D HNCA' . . . 34300 1 4 '3D HN(CO)CA' . . . 34300 1 5 '3D HNCACB' . . . 34300 1 6 '3D HN(COCA)CB' . . . 34300 1 7 '3D HNCO' . . . 34300 1 8 '3D HCC(CO)NH' . . . 34300 1 9 '3D CC(CO)NH' . . . 34300 1 10 '3D HCCH-TOCSY' . . . 34300 1 11 '3D 1H-15N NOESY' . . . 34300 1 12 '2D 1H-13C HSQC aliphatic' . . . 34300 1 13 '3D 1H-13C NOESY aliphatic' . . . 34300 1 14 '2D 1H-13C HSQC aromatic' . . . 34300 1 15 '3D 1H-13C NOESY aromatic' . . . 34300 1 16 '2D 1H-15N HETNOE' . . . 34300 1 17 '2D 1H-15N T1' . . . 34300 1 18 '2D 1H-15N T2' . . . 34300 1 19 '2D 1H-15N IPAP-HSQC' . . . 34300 1 20 '2D 1H-15N IPAP-HSQC' . . . 34300 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.96 0.02 . 2 . . . . A 76 GLY HA3 . 34300 1 2 . 1 1 1 1 GLY HA3 H 1 3.96 0.02 . 2 . . . . A 76 GLY HA3 . 34300 1 3 . 1 1 1 1 GLY C C 13 173.92 0.10 . 1 . . . . A 76 GLY C . 34300 1 4 . 1 1 1 1 GLY CA C 13 45.42 0.10 . 1 . . . . A 76 GLY CA . 34300 1 5 . 1 1 2 2 GLU H H 1 8.16 0.02 . 1 . . . . A 77 GLU H . 34300 1 6 . 1 1 2 2 GLU HA H 1 4.38 0.02 . 1 . . . . A 77 GLU HA . 34300 1 7 . 1 1 2 2 GLU HB2 H 1 2.00 0.02 . 2 . . . . A 77 GLU HB2 . 34300 1 8 . 1 1 2 2 GLU HB3 H 1 1.82 0.02 . 2 . . . . A 77 GLU HB3 . 34300 1 9 . 1 1 2 2 GLU HG2 H 1 2.20 0.02 . 2 . . . . A 77 GLU HG2 . 34300 1 10 . 1 1 2 2 GLU HG3 H 1 2.18 0.02 . 2 . . . . A 77 GLU HG3 . 34300 1 11 . 1 1 2 2 GLU C C 13 176.23 0.10 . 1 . . . . A 77 GLU C . 34300 1 12 . 1 1 2 2 GLU CA C 13 55.84 0.10 . 1 . . . . A 77 GLU CA . 34300 1 13 . 1 1 2 2 GLU CB C 13 30.64 0.10 . 1 . . . . A 77 GLU CB . 34300 1 14 . 1 1 2 2 GLU CG C 13 36.43 0.10 . 1 . . . . A 77 GLU CG . 34300 1 15 . 1 1 2 2 GLU N N 15 119.77 0.05 . 1 . . . . A 77 GLU N . 34300 1 16 . 1 1 3 3 SER H H 1 8.42 0.02 . 1 . . . . A 78 SER H . 34300 1 17 . 1 1 3 3 SER HA H 1 4.60 0.02 . 1 . . . . A 78 SER HA . 34300 1 18 . 1 1 3 3 SER HB2 H 1 3.91 0.02 . 2 . . . . A 78 SER HB2 . 34300 1 19 . 1 1 3 3 SER HB3 H 1 3.78 0.02 . 2 . . . . A 78 SER HB3 . 34300 1 20 . 1 1 3 3 SER CA C 13 57.52 0.10 . 1 . . . . A 78 SER CA . 34300 1 21 . 1 1 3 3 SER CB C 13 62.59 0.10 . 1 . . . . A 78 SER CB . 34300 1 22 . 1 1 3 3 SER N N 15 118.28 0.05 . 1 . . . . A 78 SER N . 34300 1 23 . 1 1 4 4 PRO HA H 1 4.12 0.02 . 1 . . . . A 79 PRO HA . 34300 1 24 . 1 1 4 4 PRO HB2 H 1 2.02 0.02 . 2 . . . . A 79 PRO HB2 . 34300 1 25 . 1 1 4 4 PRO HB3 H 1 1.66 0.02 . 2 . . . . A 79 PRO HB3 . 34300 1 26 . 1 1 4 4 PRO HG2 H 1 1.88 0.02 . 2 . . . . A 79 PRO HG2 . 34300 1 27 . 1 1 4 4 PRO HG3 H 1 1.88 0.02 . 2 . . . . A 79 PRO HG3 . 34300 1 28 . 1 1 4 4 PRO HD2 H 1 3.78 0.02 . 2 . . . . A 79 PRO HD2 . 34300 1 29 . 1 1 4 4 PRO HD3 H 1 3.61 0.02 . 2 . . . . A 79 PRO HD3 . 34300 1 30 . 1 1 4 4 PRO C C 13 175.67 0.10 . 1 . . . . A 79 PRO C . 34300 1 31 . 1 1 4 4 PRO CA C 13 63.40 0.10 . 1 . . . . A 79 PRO CA . 34300 1 32 . 1 1 4 4 PRO CB C 13 31.96 0.10 . 1 . . . . A 79 PRO CB . 34300 1 33 . 1 1 4 4 PRO CG C 13 28.00 0.10 . 1 . . . . A 79 PRO CG . 34300 1 34 . 1 1 4 4 PRO CD C 13 49.97 0.10 . 1 . . . . A 79 PRO CD . 34300 1 35 . 1 1 5 5 GLN H H 1 8.48 0.02 . 1 . . . . A 80 GLN H . 34300 1 36 . 1 1 5 5 GLN HA H 1 4.44 0.02 . 1 . . . . A 80 GLN HA . 34300 1 37 . 1 1 5 5 GLN HB2 H 1 2.17 0.02 . 2 . . . . A 80 GLN HB2 . 34300 1 38 . 1 1 5 5 GLN HB3 H 1 2.17 0.02 . 2 . . . . A 80 GLN HB3 . 34300 1 39 . 1 1 5 5 GLN HG2 H 1 2.36 0.02 . 2 . . . . A 80 GLN HG2 . 34300 1 40 . 1 1 5 5 GLN HG3 H 1 2.36 0.02 . 2 . . . . A 80 GLN HG3 . 34300 1 41 . 1 1 5 5 GLN C C 13 176.05 0.10 . 1 . . . . A 80 GLN C . 34300 1 42 . 1 1 5 5 GLN CA C 13 56.47 0.10 . 1 . . . . A 80 GLN CA . 34300 1 43 . 1 1 5 5 GLN CB C 13 31.32 0.10 . 1 . . . . A 80 GLN CB . 34300 1 44 . 1 1 5 5 GLN CG C 13 34.99 0.10 . 1 . . . . A 80 GLN CG . 34300 1 45 . 1 1 5 5 GLN N N 15 118.74 0.05 . 1 . . . . A 80 GLN N . 34300 1 46 . 1 1 6 6 LEU H H 1 7.68 0.02 . 1 . . . . A 81 LEU H . 34300 1 47 . 1 1 6 6 LEU HA H 1 5.54 0.02 . 1 . . . . A 81 LEU HA . 34300 1 48 . 1 1 6 6 LEU HB2 H 1 1.54 0.02 . 2 . . . . A 81 LEU HB2 . 34300 1 49 . 1 1 6 6 LEU HB3 H 1 1.54 0.02 . 2 . . . . A 81 LEU HB3 . 34300 1 50 . 1 1 6 6 LEU HD11 H 1 0.78 0.02 . 2 . . . . A 81 LEU HD11 . 34300 1 51 . 1 1 6 6 LEU HD12 H 1 0.78 0.02 . 2 . . . . A 81 LEU HD12 . 34300 1 52 . 1 1 6 6 LEU HD13 H 1 0.78 0.02 . 2 . . . . A 81 LEU HD13 . 34300 1 53 . 1 1 6 6 LEU HD21 H 1 0.78 0.02 . 2 . . . . A 81 LEU HD21 . 34300 1 54 . 1 1 6 6 LEU HD22 H 1 0.78 0.02 . 2 . . . . A 81 LEU HD22 . 34300 1 55 . 1 1 6 6 LEU HD23 H 1 0.78 0.02 . 2 . . . . A 81 LEU HD23 . 34300 1 56 . 1 1 6 6 LEU C C 13 173.70 0.10 . 1 . . . . A 81 LEU C . 34300 1 57 . 1 1 6 6 LEU CA C 13 54.33 0.10 . 1 . . . . A 81 LEU CA . 34300 1 58 . 1 1 6 6 LEU CB C 13 45.56 0.10 . 1 . . . . A 81 LEU CB . 34300 1 59 . 1 1 6 6 LEU CD1 C 13 26.37 0.10 . 2 . . . . A 81 LEU CD1 . 34300 1 60 . 1 1 6 6 LEU CD2 C 13 26.37 0.10 . 2 . . . . A 81 LEU CD2 . 34300 1 61 . 1 1 6 6 LEU N N 15 124.69 0.05 . 1 . . . . A 81 LEU N . 34300 1 62 . 1 1 7 7 VAL H H 1 8.94 0.02 . 1 . . . . A 82 VAL H . 34300 1 63 . 1 1 7 7 VAL HA H 1 4.61 0.02 . 1 . . . . A 82 VAL HA . 34300 1 64 . 1 1 7 7 VAL HB H 1 1.84 0.02 . 1 . . . . A 82 VAL HB . 34300 1 65 . 1 1 7 7 VAL HG11 H 1 0.10 0.02 . 2 . . . . A 82 VAL HG11 . 34300 1 66 . 1 1 7 7 VAL HG12 H 1 0.10 0.02 . 2 . . . . A 82 VAL HG12 . 34300 1 67 . 1 1 7 7 VAL HG13 H 1 0.10 0.02 . 2 . . . . A 82 VAL HG13 . 34300 1 68 . 1 1 7 7 VAL HG21 H 1 0.69 0.02 . 2 . . . . A 82 VAL HG21 . 34300 1 69 . 1 1 7 7 VAL HG22 H 1 0.69 0.02 . 2 . . . . A 82 VAL HG22 . 34300 1 70 . 1 1 7 7 VAL HG23 H 1 0.69 0.02 . 2 . . . . A 82 VAL HG23 . 34300 1 71 . 1 1 7 7 VAL C C 13 173.49 0.10 . 1 . . . . A 82 VAL C . 34300 1 72 . 1 1 7 7 VAL CA C 13 60.63 0.10 . 1 . . . . A 82 VAL CA . 34300 1 73 . 1 1 7 7 VAL CB C 13 34.35 0.10 . 1 . . . . A 82 VAL CB . 34300 1 74 . 1 1 7 7 VAL CG1 C 13 23.05 0.10 . 2 . . . . A 82 VAL CG1 . 34300 1 75 . 1 1 7 7 VAL CG2 C 13 22.49 0.10 . 2 . . . . A 82 VAL CG2 . 34300 1 76 . 1 1 7 7 VAL N N 15 126.91 0.05 . 1 . . . . A 82 VAL N . 34300 1 77 . 1 1 8 8 ILE H H 1 8.57 0.02 . 1 . . . . A 83 ILE H . 34300 1 78 . 1 1 8 8 ILE HA H 1 4.52 0.02 . 1 . . . . A 83 ILE HA . 34300 1 79 . 1 1 8 8 ILE HB H 1 1.75 0.02 . 1 . . . . A 83 ILE HB . 34300 1 80 . 1 1 8 8 ILE HG12 H 1 1.42 0.02 . 2 . . . . A 83 ILE HG12 . 34300 1 81 . 1 1 8 8 ILE HG13 H 1 1.42 0.02 . 2 . . . . A 83 ILE HG13 . 34300 1 82 . 1 1 8 8 ILE HG21 H 1 0.63 0.02 . 1 . . . . A 83 ILE HG21 . 34300 1 83 . 1 1 8 8 ILE HG22 H 1 0.63 0.02 . 1 . . . . A 83 ILE HG22 . 34300 1 84 . 1 1 8 8 ILE HG23 H 1 0.63 0.02 . 1 . . . . A 83 ILE HG23 . 34300 1 85 . 1 1 8 8 ILE HD11 H 1 0.57 0.02 . 1 . . . . A 83 ILE HD11 . 34300 1 86 . 1 1 8 8 ILE HD12 H 1 0.57 0.02 . 1 . . . . A 83 ILE HD12 . 34300 1 87 . 1 1 8 8 ILE HD13 H 1 0.57 0.02 . 1 . . . . A 83 ILE HD13 . 34300 1 88 . 1 1 8 8 ILE C C 13 173.44 0.10 . 1 . . . . A 83 ILE C . 34300 1 89 . 1 1 8 8 ILE CA C 13 59.70 0.10 . 1 . . . . A 83 ILE CA . 34300 1 90 . 1 1 8 8 ILE CB C 13 39.14 0.10 . 1 . . . . A 83 ILE CB . 34300 1 91 . 1 1 8 8 ILE CG1 C 13 28.22 0.10 . 1 . . . . A 83 ILE CG1 . 34300 1 92 . 1 1 8 8 ILE CG2 C 13 19.43 0.10 . 1 . . . . A 83 ILE CG2 . 34300 1 93 . 1 1 8 8 ILE CD1 C 13 14.45 0.10 . 1 . . . . A 83 ILE CD1 . 34300 1 94 . 1 1 8 8 ILE N N 15 126.31 0.05 . 1 . . . . A 83 ILE N . 34300 1 95 . 1 1 9 9 PHE H H 1 9.50 0.02 . 1 . . . . A 84 PHE H . 34300 1 96 . 1 1 9 9 PHE HA H 1 5.30 0.02 . 1 . . . . A 84 PHE HA . 34300 1 97 . 1 1 9 9 PHE HB2 H 1 2.91 0.02 . 2 . . . . A 84 PHE HB2 . 34300 1 98 . 1 1 9 9 PHE HB3 H 1 2.91 0.02 . 2 . . . . A 84 PHE HB3 . 34300 1 99 . 1 1 9 9 PHE HD1 H 1 7.38 0.02 . 3 . . . . A 84 PHE HD1 . 34300 1 100 . 1 1 9 9 PHE HD2 H 1 7.38 0.02 . 3 . . . . A 84 PHE HD2 . 34300 1 101 . 1 1 9 9 PHE HE1 H 1 7.12 0.02 . 3 . . . . A 84 PHE HE1 . 34300 1 102 . 1 1 9 9 PHE HE2 H 1 7.12 0.02 . 3 . . . . A 84 PHE HE2 . 34300 1 103 . 1 1 9 9 PHE HZ H 1 6.82 0.02 . 1 . . . . A 84 PHE HZ . 34300 1 104 . 1 1 9 9 PHE C C 13 177.17 0.10 . 1 . . . . A 84 PHE C . 34300 1 105 . 1 1 9 9 PHE CA C 13 57.75 0.10 . 1 . . . . A 84 PHE CA . 34300 1 106 . 1 1 9 9 PHE CB C 13 42.05 0.10 . 1 . . . . A 84 PHE CB . 34300 1 107 . 1 1 9 9 PHE CD1 C 13 132.51 0.10 . 3 . . . . A 84 PHE CD1 . 34300 1 108 . 1 1 9 9 PHE CD2 C 13 132.51 0.10 . 3 . . . . A 84 PHE CD2 . 34300 1 109 . 1 1 9 9 PHE CE1 C 13 130.33 0.10 . 3 . . . . A 84 PHE CE1 . 34300 1 110 . 1 1 9 9 PHE CE2 C 13 130.33 0.10 . 3 . . . . A 84 PHE CE2 . 34300 1 111 . 1 1 9 9 PHE CZ C 13 128.42 0.10 . 1 . . . . A 84 PHE CZ . 34300 1 112 . 1 1 9 9 PHE N N 15 123.64 0.05 . 1 . . . . A 84 PHE N . 34300 1 113 . 1 1 10 10 ASP H H 1 8.58 0.02 . 1 . . . . A 85 ASP H . 34300 1 114 . 1 1 10 10 ASP HA H 1 5.22 0.02 . 1 . . . . A 85 ASP HA . 34300 1 115 . 1 1 10 10 ASP HB2 H 1 2.40 0.02 . 2 . . . . A 85 ASP HB2 . 34300 1 116 . 1 1 10 10 ASP HB3 H 1 2.40 0.02 . 2 . . . . A 85 ASP HB3 . 34300 1 117 . 1 1 10 10 ASP CA C 13 53.36 0.10 . 1 . . . . A 85 ASP CA . 34300 1 118 . 1 1 10 10 ASP CB C 13 44.34 0.10 . 1 . . . . A 85 ASP CB . 34300 1 119 . 1 1 10 10 ASP N N 15 120.14 0.05 . 1 . . . . A 85 ASP N . 34300 1 120 . 1 1 11 11 LEU H H 1 7.04 0.02 . 1 . . . . A 86 LEU H . 34300 1 121 . 1 1 11 11 LEU CA C 13 56.19 0.10 . 1 . . . . A 86 LEU CA . 34300 1 122 . 1 1 11 11 LEU N N 15 120.70 0.05 . 1 . . . . A 86 LEU N . 34300 1 123 . 1 1 12 12 ASP CA C 13 57.43 0.10 . 1 . . . . A 87 ASP CA . 34300 1 124 . 1 1 13 13 GLY H H 1 9.72 0.02 . 1 . . . . A 88 GLY H . 34300 1 125 . 1 1 13 13 GLY HA2 H 1 5.17 0.02 . 2 . . . . A 88 GLY HA2 . 34300 1 126 . 1 1 13 13 GLY HA3 H 1 5.17 0.02 . 2 . . . . A 88 GLY HA3 . 34300 1 127 . 1 1 13 13 GLY C C 13 180.56 0.10 . 1 . . . . A 88 GLY C . 34300 1 128 . 1 1 13 13 GLY CA C 13 46.84 0.10 . 1 . . . . A 88 GLY CA . 34300 1 129 . 1 1 13 13 GLY N N 15 116.28 0.05 . 1 . . . . A 88 GLY N . 34300 1 130 . 1 1 14 14 THR H H 1 7.24 0.02 . 1 . . . . A 89 THR H . 34300 1 131 . 1 1 14 14 THR HA H 1 4.30 0.02 . 1 . . . . A 89 THR HA . 34300 1 132 . 1 1 14 14 THR HB H 1 3.77 0.02 . 1 . . . . A 89 THR HB . 34300 1 133 . 1 1 14 14 THR HG21 H 1 1.29 0.02 . 1 . . . . A 89 THR HG21 . 34300 1 134 . 1 1 14 14 THR HG22 H 1 1.29 0.02 . 1 . . . . A 89 THR HG22 . 34300 1 135 . 1 1 14 14 THR HG23 H 1 1.29 0.02 . 1 . . . . A 89 THR HG23 . 34300 1 136 . 1 1 14 14 THR C C 13 174.36 0.10 . 1 . . . . A 89 THR C . 34300 1 137 . 1 1 14 14 THR CA C 13 64.15 0.10 . 1 . . . . A 89 THR CA . 34300 1 138 . 1 1 14 14 THR CB C 13 69.13 0.10 . 1 . . . . A 89 THR CB . 34300 1 139 . 1 1 14 14 THR CG2 C 13 21.81 0.10 . 1 . . . . A 89 THR CG2 . 34300 1 140 . 1 1 14 14 THR N N 15 111.98 0.05 . 1 . . . . A 89 THR N . 34300 1 141 . 1 1 15 15 LEU H H 1 7.70 0.02 . 1 . . . . A 90 LEU H . 34300 1 142 . 1 1 15 15 LEU C C 13 177.52 0.10 . 1 . . . . A 90 LEU C . 34300 1 143 . 1 1 15 15 LEU CA C 13 56.48 0.10 . 1 . . . . A 90 LEU CA . 34300 1 144 . 1 1 15 15 LEU CB C 13 44.39 0.10 . 1 . . . . A 90 LEU CB . 34300 1 145 . 1 1 15 15 LEU N N 15 115.70 0.05 . 1 . . . . A 90 LEU N . 34300 1 146 . 1 1 16 16 THR H H 1 7.63 0.02 . 1 . . . . A 91 THR H . 34300 1 147 . 1 1 16 16 THR HA H 1 4.90 0.02 . 1 . . . . A 91 THR HA . 34300 1 148 . 1 1 16 16 THR HB H 1 4.96 0.02 . 1 . . . . A 91 THR HB . 34300 1 149 . 1 1 16 16 THR HG21 H 1 0.82 0.02 . 1 . . . . A 91 THR HG21 . 34300 1 150 . 1 1 16 16 THR HG22 H 1 0.82 0.02 . 1 . . . . A 91 THR HG22 . 34300 1 151 . 1 1 16 16 THR HG23 H 1 0.82 0.02 . 1 . . . . A 91 THR HG23 . 34300 1 152 . 1 1 16 16 THR C C 13 174.16 0.10 . 1 . . . . A 91 THR C . 34300 1 153 . 1 1 16 16 THR CA C 13 57.74 0.10 . 1 . . . . A 91 THR CA . 34300 1 154 . 1 1 16 16 THR CB C 13 70.57 0.10 . 1 . . . . A 91 THR CB . 34300 1 155 . 1 1 16 16 THR CG2 C 13 20.42 0.10 . 1 . . . . A 91 THR CG2 . 34300 1 156 . 1 1 16 16 THR N N 15 102.64 0.05 . 1 . . . . A 91 THR N . 34300 1 157 . 1 1 17 17 ASP H H 1 8.88 0.02 . 1 . . . . A 92 ASP H . 34300 1 158 . 1 1 17 17 ASP HA H 1 4.91 0.02 . 1 . . . . A 92 ASP HA . 34300 1 159 . 1 1 17 17 ASP HB2 H 1 2.55 0.02 . 2 . . . . A 92 ASP HB2 . 34300 1 160 . 1 1 17 17 ASP HB3 H 1 2.55 0.02 . 2 . . . . A 92 ASP HB3 . 34300 1 161 . 1 1 17 17 ASP C C 13 175.37 0.10 . 1 . . . . A 92 ASP C . 34300 1 162 . 1 1 17 17 ASP CA C 13 51.43 0.10 . 1 . . . . A 92 ASP CA . 34300 1 163 . 1 1 17 17 ASP CB C 13 38.15 0.10 . 1 . . . . A 92 ASP CB . 34300 1 164 . 1 1 17 17 ASP N N 15 128.43 0.05 . 1 . . . . A 92 ASP N . 34300 1 165 . 1 1 18 18 SER H H 1 8.02 0.02 . 1 . . . . A 93 SER H . 34300 1 166 . 1 1 18 18 SER HA H 1 4.54 0.02 . 1 . . . . A 93 SER HA . 34300 1 167 . 1 1 18 18 SER C C 13 178.64 0.10 . 1 . . . . A 93 SER C . 34300 1 168 . 1 1 18 18 SER CA C 13 57.12 0.10 . 1 . . . . A 93 SER CA . 34300 1 169 . 1 1 18 18 SER CB C 13 64.04 0.10 . 1 . . . . A 93 SER CB . 34300 1 170 . 1 1 18 18 SER N N 15 114.11 0.05 . 1 . . . . A 93 SER N . 34300 1 171 . 1 1 19 19 ALA H H 1 8.64 0.02 . 1 . . . . A 94 ALA H . 34300 1 172 . 1 1 19 19 ALA HA H 1 3.78 0.02 . 1 . . . . A 94 ALA HA . 34300 1 173 . 1 1 19 19 ALA HB1 H 1 1.10 0.02 . 1 . . . . A 94 ALA HB1 . 34300 1 174 . 1 1 19 19 ALA HB2 H 1 1.10 0.02 . 1 . . . . A 94 ALA HB2 . 34300 1 175 . 1 1 19 19 ALA HB3 H 1 1.10 0.02 . 1 . . . . A 94 ALA HB3 . 34300 1 176 . 1 1 19 19 ALA C C 13 177.90 0.10 . 1 . . . . A 94 ALA C . 34300 1 177 . 1 1 19 19 ALA CA C 13 56.20 0.10 . 1 . . . . A 94 ALA CA . 34300 1 178 . 1 1 19 19 ALA CB C 13 18.92 0.10 . 1 . . . . A 94 ALA CB . 34300 1 179 . 1 1 19 19 ALA N N 15 125.59 0.05 . 1 . . . . A 94 ALA N . 34300 1 180 . 1 1 20 20 ARG H H 1 8.96 0.02 . 1 . . . . A 95 ARG H . 34300 1 181 . 1 1 20 20 ARG HA H 1 4.02 0.02 . 1 . . . . A 95 ARG HA . 34300 1 182 . 1 1 20 20 ARG HB2 H 1 1.83 0.02 . 2 . . . . A 95 ARG HB2 . 34300 1 183 . 1 1 20 20 ARG HB3 H 1 1.70 0.02 . 2 . . . . A 95 ARG HB3 . 34300 1 184 . 1 1 20 20 ARG HG2 H 1 1.65 0.02 . 2 . . . . A 95 ARG HG2 . 34300 1 185 . 1 1 20 20 ARG HG3 H 1 1.55 0.02 . 2 . . . . A 95 ARG HG3 . 34300 1 186 . 1 1 20 20 ARG HD2 H 1 3.22 0.02 . 2 . . . . A 95 ARG HD2 . 34300 1 187 . 1 1 20 20 ARG HD3 H 1 3.22 0.02 . 2 . . . . A 95 ARG HD3 . 34300 1 188 . 1 1 20 20 ARG C C 13 179.79 0.10 . 1 . . . . A 95 ARG C . 34300 1 189 . 1 1 20 20 ARG CA C 13 60.08 0.10 . 1 . . . . A 95 ARG CA . 34300 1 190 . 1 1 20 20 ARG CB C 13 29.53 0.10 . 1 . . . . A 95 ARG CB . 34300 1 191 . 1 1 20 20 ARG CG C 13 27.87 0.10 . 1 . . . . A 95 ARG CG . 34300 1 192 . 1 1 20 20 ARG CD C 13 43.63 0.10 . 1 . . . . A 95 ARG CD . 34300 1 193 . 1 1 20 20 ARG N N 15 115.26 0.05 . 1 . . . . A 95 ARG N . 34300 1 194 . 1 1 21 21 GLY H H 1 7.54 0.02 . 1 . . . . A 96 GLY H . 34300 1 195 . 1 1 21 21 GLY HA2 H 1 4.83 0.02 . 2 . . . . A 96 GLY HA2 . 34300 1 196 . 1 1 21 21 GLY HA3 H 1 4.36 0.02 . 2 . . . . A 96 GLY HA3 . 34300 1 197 . 1 1 21 21 GLY C C 13 175.15 0.10 . 1 . . . . A 96 GLY C . 34300 1 198 . 1 1 21 21 GLY CA C 13 48.97 0.10 . 1 . . . . A 96 GLY CA . 34300 1 199 . 1 1 21 21 GLY N N 15 107.07 0.05 . 1 . . . . A 96 GLY N . 34300 1 200 . 1 1 22 22 ILE H H 1 7.57 0.02 . 1 . . . . A 97 ILE H . 34300 1 201 . 1 1 22 22 ILE HA H 1 4.10 0.02 . 1 . . . . A 97 ILE HA . 34300 1 202 . 1 1 22 22 ILE HB H 1 1.65 0.02 . 1 . . . . A 97 ILE HB . 34300 1 203 . 1 1 22 22 ILE HG21 H 1 0.87 0.02 . 1 . . . . A 97 ILE HG21 . 34300 1 204 . 1 1 22 22 ILE HG22 H 1 0.87 0.02 . 1 . . . . A 97 ILE HG22 . 34300 1 205 . 1 1 22 22 ILE HG23 H 1 0.87 0.02 . 1 . . . . A 97 ILE HG23 . 34300 1 206 . 1 1 22 22 ILE HD11 H 1 0.87 0.02 . 1 . . . . A 97 ILE HD11 . 34300 1 207 . 1 1 22 22 ILE HD12 H 1 0.87 0.02 . 1 . . . . A 97 ILE HD12 . 34300 1 208 . 1 1 22 22 ILE HD13 H 1 0.87 0.02 . 1 . . . . A 97 ILE HD13 . 34300 1 209 . 1 1 22 22 ILE C C 13 178.38 0.10 . 1 . . . . A 97 ILE C . 34300 1 210 . 1 1 22 22 ILE CA C 13 65.41 0.10 . 1 . . . . A 97 ILE CA . 34300 1 211 . 1 1 22 22 ILE CB C 13 39.53 0.10 . 1 . . . . A 97 ILE CB . 34300 1 212 . 1 1 22 22 ILE CG2 C 13 16.18 0.10 . 1 . . . . A 97 ILE CG2 . 34300 1 213 . 1 1 22 22 ILE CD1 C 13 16.33 0.10 . 1 . . . . A 97 ILE CD1 . 34300 1 214 . 1 1 22 22 ILE N N 15 123.26 0.05 . 1 . . . . A 97 ILE N . 34300 1 215 . 1 1 23 23 VAL H H 1 9.04 0.02 . 1 . . . . A 98 VAL H . 34300 1 216 . 1 1 23 23 VAL HA H 1 3.63 0.02 . 1 . . . . A 98 VAL HA . 34300 1 217 . 1 1 23 23 VAL HB H 1 2.17 0.02 . 1 . . . . A 98 VAL HB . 34300 1 218 . 1 1 23 23 VAL HG11 H 1 0.87 0.02 . 2 . . . . A 98 VAL HG11 . 34300 1 219 . 1 1 23 23 VAL HG12 H 1 0.87 0.02 . 2 . . . . A 98 VAL HG12 . 34300 1 220 . 1 1 23 23 VAL HG13 H 1 0.87 0.02 . 2 . . . . A 98 VAL HG13 . 34300 1 221 . 1 1 23 23 VAL HG21 H 1 1.06 0.02 . 2 . . . . A 98 VAL HG21 . 34300 1 222 . 1 1 23 23 VAL HG22 H 1 1.06 0.02 . 2 . . . . A 98 VAL HG22 . 34300 1 223 . 1 1 23 23 VAL HG23 H 1 1.06 0.02 . 2 . . . . A 98 VAL HG23 . 34300 1 224 . 1 1 23 23 VAL C C 13 178.02 0.10 . 1 . . . . A 98 VAL C . 34300 1 225 . 1 1 23 23 VAL CA C 13 67.07 0.10 . 1 . . . . A 98 VAL CA . 34300 1 226 . 1 1 23 23 VAL CB C 13 31.74 0.10 . 1 . . . . A 98 VAL CB . 34300 1 227 . 1 1 23 23 VAL CG1 C 13 22.69 0.10 . 2 . . . . A 98 VAL CG1 . 34300 1 228 . 1 1 23 23 VAL CG2 C 13 22.04 0.10 . 2 . . . . A 98 VAL CG2 . 34300 1 229 . 1 1 23 23 VAL N N 15 117.78 0.05 . 1 . . . . A 98 VAL N . 34300 1 230 . 1 1 24 24 SER H H 1 7.89 0.02 . 1 . . . . A 99 SER H . 34300 1 231 . 1 1 24 24 SER HA H 1 4.32 0.02 . 1 . . . . A 99 SER HA . 34300 1 232 . 1 1 24 24 SER HB2 H 1 4.24 0.02 . 2 . . . . A 99 SER HB2 . 34300 1 233 . 1 1 24 24 SER HB3 H 1 4.24 0.02 . 2 . . . . A 99 SER HB3 . 34300 1 234 . 1 1 24 24 SER C C 13 179.44 0.10 . 1 . . . . A 99 SER C . 34300 1 235 . 1 1 24 24 SER CA C 13 62.52 0.10 . 1 . . . . A 99 SER CA . 34300 1 236 . 1 1 24 24 SER CB C 13 63.48 0.10 . 1 . . . . A 99 SER CB . 34300 1 237 . 1 1 24 24 SER N N 15 113.72 0.05 . 1 . . . . A 99 SER N . 34300 1 238 . 1 1 25 25 SER H H 1 8.85 0.02 . 1 . . . . A 100 SER H . 34300 1 239 . 1 1 25 25 SER HA H 1 4.94 0.02 . 1 . . . . A 100 SER HA . 34300 1 240 . 1 1 25 25 SER C C 13 176.30 0.10 . 1 . . . . A 100 SER C . 34300 1 241 . 1 1 25 25 SER CA C 13 63.05 0.10 . 1 . . . . A 100 SER CA . 34300 1 242 . 1 1 25 25 SER CB C 13 64.76 0.10 . 1 . . . . A 100 SER CB . 34300 1 243 . 1 1 25 25 SER N N 15 120.36 0.05 . 1 . . . . A 100 SER N . 34300 1 244 . 1 1 26 26 PHE H H 1 9.20 0.02 . 1 . . . . A 101 PHE H . 34300 1 245 . 1 1 26 26 PHE HA H 1 4.48 0.02 . 1 . . . . A 101 PHE HA . 34300 1 246 . 1 1 26 26 PHE HB2 H 1 3.44 0.02 . 2 . . . . A 101 PHE HB2 . 34300 1 247 . 1 1 26 26 PHE HB3 H 1 3.23 0.02 . 2 . . . . A 101 PHE HB3 . 34300 1 248 . 1 1 26 26 PHE HD1 H 1 7.18 0.02 . 3 . . . . A 101 PHE HD1 . 34300 1 249 . 1 1 26 26 PHE HD2 H 1 7.18 0.02 . 3 . . . . A 101 PHE HD2 . 34300 1 250 . 1 1 26 26 PHE HE1 H 1 7.07 0.02 . 3 . . . . A 101 PHE HE1 . 34300 1 251 . 1 1 26 26 PHE HE2 H 1 7.07 0.02 . 3 . . . . A 101 PHE HE2 . 34300 1 252 . 1 1 26 26 PHE HZ H 1 7.06 0.02 . 1 . . . . A 101 PHE HZ . 34300 1 253 . 1 1 26 26 PHE C C 13 176.41 0.10 . 1 . . . . A 101 PHE C . 34300 1 254 . 1 1 26 26 PHE CA C 13 62.27 0.10 . 1 . . . . A 101 PHE CA . 34300 1 255 . 1 1 26 26 PHE CB C 13 40.46 0.10 . 1 . . . . A 101 PHE CB . 34300 1 256 . 1 1 26 26 PHE CD1 C 13 132.29 0.10 . 3 . . . . A 101 PHE CD1 . 34300 1 257 . 1 1 26 26 PHE CD2 C 13 132.29 0.10 . 3 . . . . A 101 PHE CD2 . 34300 1 258 . 1 1 26 26 PHE CE1 C 13 131.02 0.10 . 3 . . . . A 101 PHE CE1 . 34300 1 259 . 1 1 26 26 PHE CE2 C 13 131.02 0.10 . 3 . . . . A 101 PHE CE2 . 34300 1 260 . 1 1 26 26 PHE CZ C 13 129.48 0.10 . 1 . . . . A 101 PHE CZ . 34300 1 261 . 1 1 26 26 PHE N N 15 125.99 0.05 . 1 . . . . A 101 PHE N . 34300 1 262 . 1 1 27 27 ARG H H 1 9.02 0.02 . 1 . . . . A 102 ARG H . 34300 1 263 . 1 1 27 27 ARG HA H 1 3.73 0.02 . 1 . . . . A 102 ARG HA . 34300 1 264 . 1 1 27 27 ARG HB2 H 1 2.11 0.02 . 2 . . . . A 102 ARG HB2 . 34300 1 265 . 1 1 27 27 ARG HB3 H 1 2.11 0.02 . 2 . . . . A 102 ARG HB3 . 34300 1 266 . 1 1 27 27 ARG HG2 H 1 1.55 0.02 . 2 . . . . A 102 ARG HG2 . 34300 1 267 . 1 1 27 27 ARG HG3 H 1 1.55 0.02 . 2 . . . . A 102 ARG HG3 . 34300 1 268 . 1 1 27 27 ARG HD2 H 1 3.32 0.02 . 2 . . . . A 102 ARG HD2 . 34300 1 269 . 1 1 27 27 ARG HD3 H 1 3.32 0.02 . 2 . . . . A 102 ARG HD3 . 34300 1 270 . 1 1 27 27 ARG C C 13 178.86 0.10 . 1 . . . . A 102 ARG C . 34300 1 271 . 1 1 27 27 ARG CA C 13 60.73 0.10 . 1 . . . . A 102 ARG CA . 34300 1 272 . 1 1 27 27 ARG CB C 13 30.12 0.10 . 1 . . . . A 102 ARG CB . 34300 1 273 . 1 1 27 27 ARG CG C 13 29.39 0.10 . 1 . . . . A 102 ARG CG . 34300 1 274 . 1 1 27 27 ARG CD C 13 43.51 0.10 . 1 . . . . A 102 ARG CD . 34300 1 275 . 1 1 27 27 ARG N N 15 118.71 0.05 . 1 . . . . A 102 ARG N . 34300 1 276 . 1 1 28 28 HIS H H 1 8.24 0.02 . 1 . . . . A 103 HIS H . 34300 1 277 . 1 1 28 28 HIS HA H 1 4.23 0.02 . 1 . . . . A 103 HIS HA . 34300 1 278 . 1 1 28 28 HIS HB2 H 1 3.54 0.02 . 2 . . . . A 103 HIS HB2 . 34300 1 279 . 1 1 28 28 HIS HB3 H 1 3.12 0.02 . 2 . . . . A 103 HIS HB3 . 34300 1 280 . 1 1 28 28 HIS C C 13 177.75 0.10 . 1 . . . . A 103 HIS C . 34300 1 281 . 1 1 28 28 HIS CA C 13 60.50 0.10 . 1 . . . . A 103 HIS CA . 34300 1 282 . 1 1 28 28 HIS CB C 13 30.34 0.10 . 1 . . . . A 103 HIS CB . 34300 1 283 . 1 1 28 28 HIS N N 15 119.00 0.05 . 1 . . . . A 103 HIS N . 34300 1 284 . 1 1 29 29 ALA H H 1 8.47 0.02 . 1 . . . . A 104 ALA H . 34300 1 285 . 1 1 29 29 ALA HA H 1 3.85 0.02 . 1 . . . . A 104 ALA HA . 34300 1 286 . 1 1 29 29 ALA HB1 H 1 1.78 0.02 . 1 . . . . A 104 ALA HB1 . 34300 1 287 . 1 1 29 29 ALA HB2 H 1 1.78 0.02 . 1 . . . . A 104 ALA HB2 . 34300 1 288 . 1 1 29 29 ALA HB3 H 1 1.78 0.02 . 1 . . . . A 104 ALA HB3 . 34300 1 289 . 1 1 29 29 ALA C C 13 178.82 0.10 . 1 . . . . A 104 ALA C . 34300 1 290 . 1 1 29 29 ALA CA C 13 55.54 0.10 . 1 . . . . A 104 ALA CA . 34300 1 291 . 1 1 29 29 ALA CB C 13 18.79 0.10 . 1 . . . . A 104 ALA CB . 34300 1 292 . 1 1 29 29 ALA N N 15 123.44 0.05 . 1 . . . . A 104 ALA N . 34300 1 293 . 1 1 30 30 LEU H H 1 7.91 0.02 . 1 . . . . A 105 LEU H . 34300 1 294 . 1 1 30 30 LEU HA H 1 3.92 0.02 . 1 . . . . A 105 LEU HA . 34300 1 295 . 1 1 30 30 LEU HB2 H 1 1.48 0.02 . 2 . . . . A 105 LEU HB2 . 34300 1 296 . 1 1 30 30 LEU HB3 H 1 1.40 0.02 . 2 . . . . A 105 LEU HB3 . 34300 1 297 . 1 1 30 30 LEU HG H 1 1.20 0.02 . 1 . . . . A 105 LEU HG . 34300 1 298 . 1 1 30 30 LEU HD11 H 1 0.37 0.02 . 2 . . . . A 105 LEU HD11 . 34300 1 299 . 1 1 30 30 LEU HD12 H 1 0.37 0.02 . 2 . . . . A 105 LEU HD12 . 34300 1 300 . 1 1 30 30 LEU HD13 H 1 0.37 0.02 . 2 . . . . A 105 LEU HD13 . 34300 1 301 . 1 1 30 30 LEU HD21 H 1 0.37 0.02 . 2 . . . . A 105 LEU HD21 . 34300 1 302 . 1 1 30 30 LEU HD22 H 1 0.37 0.02 . 2 . . . . A 105 LEU HD22 . 34300 1 303 . 1 1 30 30 LEU HD23 H 1 0.37 0.02 . 2 . . . . A 105 LEU HD23 . 34300 1 304 . 1 1 30 30 LEU C C 13 179.62 0.10 . 1 . . . . A 105 LEU C . 34300 1 305 . 1 1 30 30 LEU CA C 13 57.41 0.10 . 1 . . . . A 105 LEU CA . 34300 1 306 . 1 1 30 30 LEU CB C 13 39.61 0.10 . 1 . . . . A 105 LEU CB . 34300 1 307 . 1 1 30 30 LEU CG C 13 27.02 0.10 . 1 . . . . A 105 LEU CG . 34300 1 308 . 1 1 30 30 LEU CD1 C 13 26.67 0.10 . 2 . . . . A 105 LEU CD1 . 34300 1 309 . 1 1 30 30 LEU CD2 C 13 26.67 0.10 . 2 . . . . A 105 LEU CD2 . 34300 1 310 . 1 1 30 30 LEU N N 15 115.81 0.05 . 1 . . . . A 105 LEU N . 34300 1 311 . 1 1 31 31 ASN H H 1 8.41 0.02 . 1 . . . . A 106 ASN H . 34300 1 312 . 1 1 31 31 ASN HA H 1 4.45 0.02 . 1 . . . . A 106 ASN HA . 34300 1 313 . 1 1 31 31 ASN HB2 H 1 2.85 0.02 . 2 . . . . A 106 ASN HB2 . 34300 1 314 . 1 1 31 31 ASN HB3 H 1 2.74 0.02 . 2 . . . . A 106 ASN HB3 . 34300 1 315 . 1 1 31 31 ASN C C 13 178.71 0.10 . 1 . . . . A 106 ASN C . 34300 1 316 . 1 1 31 31 ASN CA C 13 56.22 0.10 . 1 . . . . A 106 ASN CA . 34300 1 317 . 1 1 31 31 ASN CB C 13 38.32 0.10 . 1 . . . . A 106 ASN CB . 34300 1 318 . 1 1 31 31 ASN N N 15 118.25 0.05 . 1 . . . . A 106 ASN N . 34300 1 319 . 1 1 32 32 HIS H H 1 8.37 0.02 . 1 . . . . A 107 HIS H . 34300 1 320 . 1 1 32 32 HIS HA H 1 4.09 0.02 . 1 . . . . A 107 HIS HA . 34300 1 321 . 1 1 32 32 HIS HB2 H 1 3.31 0.02 . 2 . . . . A 107 HIS HB2 . 34300 1 322 . 1 1 32 32 HIS HB3 H 1 2.73 0.02 . 2 . . . . A 107 HIS HB3 . 34300 1 323 . 1 1 32 32 HIS C C 13 177.17 0.10 . 1 . . . . A 107 HIS C . 34300 1 324 . 1 1 32 32 HIS CA C 13 60.12 0.10 . 1 . . . . A 107 HIS CA . 34300 1 325 . 1 1 32 32 HIS CB C 13 30.33 0.10 . 1 . . . . A 107 HIS CB . 34300 1 326 . 1 1 32 32 HIS N N 15 121.03 0.05 . 1 . . . . A 107 HIS N . 34300 1 327 . 1 1 33 33 ILE H H 1 7.10 0.02 . 1 . . . . A 108 ILE H . 34300 1 328 . 1 1 33 33 ILE HA H 1 4.36 0.02 . 1 . . . . A 108 ILE HA . 34300 1 329 . 1 1 33 33 ILE HB H 1 2.25 0.02 . 1 . . . . A 108 ILE HB . 34300 1 330 . 1 1 33 33 ILE HG21 H 1 1.06 0.02 . 1 . . . . A 108 ILE HG21 . 34300 1 331 . 1 1 33 33 ILE HG22 H 1 1.06 0.02 . 1 . . . . A 108 ILE HG22 . 34300 1 332 . 1 1 33 33 ILE HG23 H 1 1.06 0.02 . 1 . . . . A 108 ILE HG23 . 34300 1 333 . 1 1 33 33 ILE HD11 H 1 0.86 0.02 . 1 . . . . A 108 ILE HD11 . 34300 1 334 . 1 1 33 33 ILE HD12 H 1 0.86 0.02 . 1 . . . . A 108 ILE HD12 . 34300 1 335 . 1 1 33 33 ILE HD13 H 1 0.86 0.02 . 1 . . . . A 108 ILE HD13 . 34300 1 336 . 1 1 33 33 ILE C C 13 176.36 0.10 . 1 . . . . A 108 ILE C . 34300 1 337 . 1 1 33 33 ILE CA C 13 61.21 0.10 . 1 . . . . A 108 ILE CA . 34300 1 338 . 1 1 33 33 ILE CB C 13 38.49 0.10 . 1 . . . . A 108 ILE CB . 34300 1 339 . 1 1 33 33 ILE CG2 C 13 18.51 0.10 . 1 . . . . A 108 ILE CG2 . 34300 1 340 . 1 1 33 33 ILE CD1 C 13 16.37 0.10 . 1 . . . . A 108 ILE CD1 . 34300 1 341 . 1 1 33 33 ILE N N 15 106.77 0.05 . 1 . . . . A 108 ILE N . 34300 1 342 . 1 1 34 34 GLY H H 1 7.83 0.02 . 1 . . . . A 109 GLY H . 34300 1 343 . 1 1 34 34 GLY HA2 H 1 3.94 0.02 . 2 . . . . A 109 GLY HA2 . 34300 1 344 . 1 1 34 34 GLY HA3 H 1 3.82 0.02 . 2 . . . . A 109 GLY HA3 . 34300 1 345 . 1 1 34 34 GLY C C 13 174.11 0.10 . 1 . . . . A 109 GLY C . 34300 1 346 . 1 1 34 34 GLY CA C 13 46.51 0.10 . 1 . . . . A 109 GLY CA . 34300 1 347 . 1 1 34 34 GLY N N 15 112.86 0.05 . 1 . . . . A 109 GLY N . 34300 1 348 . 1 1 35 35 ALA H H 1 8.16 0.02 . 1 . . . . A 110 ALA H . 34300 1 349 . 1 1 35 35 ALA HA H 1 4.76 0.02 . 1 . . . . A 110 ALA HA . 34300 1 350 . 1 1 35 35 ALA HB1 H 1 1.22 0.02 . 1 . . . . A 110 ALA HB1 . 34300 1 351 . 1 1 35 35 ALA HB2 H 1 1.22 0.02 . 1 . . . . A 110 ALA HB2 . 34300 1 352 . 1 1 35 35 ALA HB3 H 1 1.22 0.02 . 1 . . . . A 110 ALA HB3 . 34300 1 353 . 1 1 35 35 ALA CA C 13 49.23 0.10 . 1 . . . . A 110 ALA CA . 34300 1 354 . 1 1 35 35 ALA CB C 13 20.18 0.10 . 1 . . . . A 110 ALA CB . 34300 1 355 . 1 1 35 35 ALA N N 15 124.80 0.05 . 1 . . . . A 110 ALA N . 34300 1 356 . 1 1 36 36 PRO HA H 1 4.35 0.02 . 1 . . . . A 111 PRO HA . 34300 1 357 . 1 1 36 36 PRO HB2 H 1 2.18 0.02 . 2 . . . . A 111 PRO HB2 . 34300 1 358 . 1 1 36 36 PRO HB3 H 1 1.78 0.02 . 2 . . . . A 111 PRO HB3 . 34300 1 359 . 1 1 36 36 PRO HG2 H 1 2.04 0.02 . 2 . . . . A 111 PRO HG2 . 34300 1 360 . 1 1 36 36 PRO HG3 H 1 1.97 0.02 . 2 . . . . A 111 PRO HG3 . 34300 1 361 . 1 1 36 36 PRO HD2 H 1 3.77 0.02 . 2 . . . . A 111 PRO HD2 . 34300 1 362 . 1 1 36 36 PRO HD3 H 1 3.55 0.02 . 2 . . . . A 111 PRO HD3 . 34300 1 363 . 1 1 36 36 PRO C C 13 176.09 0.10 . 1 . . . . A 111 PRO C . 34300 1 364 . 1 1 36 36 PRO CA C 13 62.05 0.10 . 1 . . . . A 111 PRO CA . 34300 1 365 . 1 1 36 36 PRO CB C 13 31.79 0.10 . 1 . . . . A 111 PRO CB . 34300 1 366 . 1 1 36 36 PRO CG C 13 27.34 0.10 . 1 . . . . A 111 PRO CG . 34300 1 367 . 1 1 36 36 PRO CD C 13 50.20 0.10 . 1 . . . . A 111 PRO CD . 34300 1 368 . 1 1 37 37 VAL H H 1 8.27 0.02 . 1 . . . . A 112 VAL H . 34300 1 369 . 1 1 37 37 VAL HA H 1 4.20 0.02 . 1 . . . . A 112 VAL HA . 34300 1 370 . 1 1 37 37 VAL HB H 1 2.02 0.02 . 1 . . . . A 112 VAL HB . 34300 1 371 . 1 1 37 37 VAL HG11 H 1 1.01 0.02 . 2 . . . . A 112 VAL HG11 . 34300 1 372 . 1 1 37 37 VAL HG12 H 1 1.01 0.02 . 2 . . . . A 112 VAL HG12 . 34300 1 373 . 1 1 37 37 VAL HG13 H 1 1.01 0.02 . 2 . . . . A 112 VAL HG13 . 34300 1 374 . 1 1 37 37 VAL HG21 H 1 1.10 0.02 . 2 . . . . A 112 VAL HG21 . 34300 1 375 . 1 1 37 37 VAL HG22 H 1 1.10 0.02 . 2 . . . . A 112 VAL HG22 . 34300 1 376 . 1 1 37 37 VAL HG23 H 1 1.10 0.02 . 2 . . . . A 112 VAL HG23 . 34300 1 377 . 1 1 37 37 VAL CA C 13 59.65 0.10 . 1 . . . . A 112 VAL CA . 34300 1 378 . 1 1 37 37 VAL CB C 13 32.91 0.10 . 1 . . . . A 112 VAL CB . 34300 1 379 . 1 1 37 37 VAL CG1 C 13 21.92 0.10 . 2 . . . . A 112 VAL CG1 . 34300 1 380 . 1 1 37 37 VAL CG2 C 13 21.67 0.10 . 2 . . . . A 112 VAL CG2 . 34300 1 381 . 1 1 37 37 VAL N N 15 122.51 0.05 . 1 . . . . A 112 VAL N . 34300 1 382 . 1 1 38 38 PRO HA H 1 4.43 0.02 . 1 . . . . A 113 PRO HA . 34300 1 383 . 1 1 38 38 PRO HB2 H 1 2.34 0.02 . 2 . . . . A 113 PRO HB2 . 34300 1 384 . 1 1 38 38 PRO HB3 H 1 1.87 0.02 . 2 . . . . A 113 PRO HB3 . 34300 1 385 . 1 1 38 38 PRO HG2 H 1 2.06 0.02 . 2 . . . . A 113 PRO HG2 . 34300 1 386 . 1 1 38 38 PRO HG3 H 1 2.06 0.02 . 2 . . . . A 113 PRO HG3 . 34300 1 387 . 1 1 38 38 PRO HD2 H 1 3.95 0.02 . 2 . . . . A 113 PRO HD2 . 34300 1 388 . 1 1 38 38 PRO HD3 H 1 3.55 0.02 . 2 . . . . A 113 PRO HD3 . 34300 1 389 . 1 1 38 38 PRO C C 13 175.51 0.10 . 1 . . . . A 113 PRO C . 34300 1 390 . 1 1 38 38 PRO CA C 13 62.86 0.10 . 1 . . . . A 113 PRO CA . 34300 1 391 . 1 1 38 38 PRO CB C 13 32.18 0.10 . 1 . . . . A 113 PRO CB . 34300 1 392 . 1 1 38 38 PRO CG C 13 27.42 0.10 . 1 . . . . A 113 PRO CG . 34300 1 393 . 1 1 38 38 PRO CD C 13 51.10 0.10 . 1 . . . . A 113 PRO CD . 34300 1 394 . 1 1 39 39 GLU H H 1 8.29 0.02 . 1 . . . . A 114 GLU H . 34300 1 395 . 1 1 39 39 GLU HA H 1 4.33 0.02 . 1 . . . . A 114 GLU HA . 34300 1 396 . 1 1 39 39 GLU HB2 H 1 2.09 0.02 . 2 . . . . A 114 GLU HB2 . 34300 1 397 . 1 1 39 39 GLU HB3 H 1 1.91 0.02 . 2 . . . . A 114 GLU HB3 . 34300 1 398 . 1 1 39 39 GLU HG2 H 1 2.34 0.02 . 2 . . . . A 114 GLU HG2 . 34300 1 399 . 1 1 39 39 GLU HG3 H 1 2.30 0.02 . 2 . . . . A 114 GLU HG3 . 34300 1 400 . 1 1 39 39 GLU C C 13 176.66 0.10 . 1 . . . . A 114 GLU C . 34300 1 401 . 1 1 39 39 GLU CA C 13 56.14 0.10 . 1 . . . . A 114 GLU CA . 34300 1 402 . 1 1 39 39 GLU CB C 13 31.17 0.10 . 1 . . . . A 114 GLU CB . 34300 1 403 . 1 1 39 39 GLU CG C 13 36.50 0.10 . 1 . . . . A 114 GLU CG . 34300 1 404 . 1 1 39 39 GLU N N 15 119.63 0.05 . 1 . . . . A 114 GLU N . 34300 1 405 . 1 1 40 40 GLY H H 1 8.35 0.02 . 1 . . . . A 115 GLY H . 34300 1 406 . 1 1 40 40 GLY HA2 H 1 4.22 0.02 . 2 . . . . A 115 GLY HA2 . 34300 1 407 . 1 1 40 40 GLY HA3 H 1 3.79 0.02 . 2 . . . . A 115 GLY HA3 . 34300 1 408 . 1 1 40 40 GLY CA C 13 44.28 0.10 . 1 . . . . A 115 GLY CA . 34300 1 409 . 1 1 40 40 GLY N N 15 108.17 0.05 . 1 . . . . A 115 GLY N . 34300 1 410 . 1 1 41 41 ASP HA H 1 4.61 0.02 . 1 . . . . A 116 ASP HA . 34300 1 411 . 1 1 41 41 ASP HB2 H 1 2.82 0.02 . 2 . . . . A 116 ASP HB2 . 34300 1 412 . 1 1 41 41 ASP HB3 H 1 2.60 0.02 . 2 . . . . A 116 ASP HB3 . 34300 1 413 . 1 1 41 41 ASP C C 13 176.97 0.10 . 1 . . . . A 116 ASP C . 34300 1 414 . 1 1 41 41 ASP CA C 13 53.81 0.10 . 1 . . . . A 116 ASP CA . 34300 1 415 . 1 1 41 41 ASP CB C 13 40.53 0.10 . 1 . . . . A 116 ASP CB . 34300 1 416 . 1 1 42 42 LEU H H 1 8.36 0.02 . 1 . . . . A 117 LEU H . 34300 1 417 . 1 1 42 42 LEU HA H 1 4.11 0.02 . 1 . . . . A 117 LEU HA . 34300 1 418 . 1 1 42 42 LEU HB2 H 1 1.79 0.02 . 2 . . . . A 117 LEU HB2 . 34300 1 419 . 1 1 42 42 LEU HB3 H 1 1.23 0.02 . 2 . . . . A 117 LEU HB3 . 34300 1 420 . 1 1 42 42 LEU HG H 1 1.02 0.02 . 1 . . . . A 117 LEU HG . 34300 1 421 . 1 1 42 42 LEU HD11 H 1 0.77 0.02 . 2 . . . . A 117 LEU HD11 . 34300 1 422 . 1 1 42 42 LEU HD12 H 1 0.77 0.02 . 2 . . . . A 117 LEU HD12 . 34300 1 423 . 1 1 42 42 LEU HD13 H 1 0.77 0.02 . 2 . . . . A 117 LEU HD13 . 34300 1 424 . 1 1 42 42 LEU HD21 H 1 0.77 0.02 . 2 . . . . A 117 LEU HD21 . 34300 1 425 . 1 1 42 42 LEU HD22 H 1 0.77 0.02 . 2 . . . . A 117 LEU HD22 . 34300 1 426 . 1 1 42 42 LEU HD23 H 1 0.77 0.02 . 2 . . . . A 117 LEU HD23 . 34300 1 427 . 1 1 42 42 LEU C C 13 178.39 0.10 . 1 . . . . A 117 LEU C . 34300 1 428 . 1 1 42 42 LEU CA C 13 56.87 0.10 . 1 . . . . A 117 LEU CA . 34300 1 429 . 1 1 42 42 LEU CB C 13 42.75 0.10 . 1 . . . . A 117 LEU CB . 34300 1 430 . 1 1 42 42 LEU CG C 13 25.86 0.10 . 1 . . . . A 117 LEU CG . 34300 1 431 . 1 1 42 42 LEU CD1 C 13 25.72 0.10 . 2 . . . . A 117 LEU CD1 . 34300 1 432 . 1 1 42 42 LEU CD2 C 13 25.72 0.10 . 2 . . . . A 117 LEU CD2 . 34300 1 433 . 1 1 42 42 LEU N N 15 125.35 0.05 . 1 . . . . A 117 LEU N . 34300 1 434 . 1 1 43 43 ALA H H 1 8.45 0.02 . 1 . . . . A 118 ALA H . 34300 1 435 . 1 1 43 43 ALA HA H 1 3.63 0.02 . 1 . . . . A 118 ALA HA . 34300 1 436 . 1 1 43 43 ALA HB1 H 1 1.11 0.02 . 1 . . . . A 118 ALA HB1 . 34300 1 437 . 1 1 43 43 ALA HB2 H 1 1.11 0.02 . 1 . . . . A 118 ALA HB2 . 34300 1 438 . 1 1 43 43 ALA HB3 H 1 1.11 0.02 . 1 . . . . A 118 ALA HB3 . 34300 1 439 . 1 1 43 43 ALA C C 13 178.78 0.10 . 1 . . . . A 118 ALA C . 34300 1 440 . 1 1 43 43 ALA CA C 13 55.63 0.10 . 1 . . . . A 118 ALA CA . 34300 1 441 . 1 1 43 43 ALA CB C 13 18.11 0.10 . 1 . . . . A 118 ALA CB . 34300 1 442 . 1 1 43 43 ALA N N 15 122.27 0.05 . 1 . . . . A 118 ALA N . 34300 1 443 . 1 1 44 44 THR H H 1 7.60 0.02 . 1 . . . . A 119 THR H . 34300 1 444 . 1 1 44 44 THR HA H 1 4.10 0.02 . 1 . . . . A 119 THR HA . 34300 1 445 . 1 1 44 44 THR HB H 1 4.10 0.02 . 1 . . . . A 119 THR HB . 34300 1 446 . 1 1 44 44 THR HG21 H 1 1.20 0.02 . 1 . . . . A 119 THR HG21 . 34300 1 447 . 1 1 44 44 THR HG22 H 1 1.20 0.02 . 1 . . . . A 119 THR HG22 . 34300 1 448 . 1 1 44 44 THR HG23 H 1 1.20 0.02 . 1 . . . . A 119 THR HG23 . 34300 1 449 . 1 1 44 44 THR C C 13 176.18 0.10 . 1 . . . . A 119 THR C . 34300 1 450 . 1 1 44 44 THR CA C 13 64.72 0.10 . 1 . . . . A 119 THR CA . 34300 1 451 . 1 1 44 44 THR CB C 13 68.82 0.10 . 1 . . . . A 119 THR CB . 34300 1 452 . 1 1 44 44 THR CG2 C 13 21.76 0.10 . 1 . . . . A 119 THR CG2 . 34300 1 453 . 1 1 44 44 THR N N 15 109.09 0.05 . 1 . . . . A 119 THR N . 34300 1 454 . 1 1 45 45 HIS H H 1 7.41 0.02 . 1 . . . . A 120 HIS H . 34300 1 455 . 1 1 45 45 HIS HA H 1 4.53 0.02 . 1 . . . . A 120 HIS HA . 34300 1 456 . 1 1 45 45 HIS HB2 H 1 3.02 0.02 . 2 . . . . A 120 HIS HB2 . 34300 1 457 . 1 1 45 45 HIS HB3 H 1 3.02 0.02 . 2 . . . . A 120 HIS HB3 . 34300 1 458 . 1 1 45 45 HIS HD2 H 1 6.77 0.02 . 1 . . . . A 120 HIS HD2 . 34300 1 459 . 1 1 45 45 HIS C C 13 177.67 0.10 . 1 . . . . A 120 HIS C . 34300 1 460 . 1 1 45 45 HIS CA C 13 58.61 0.10 . 1 . . . . A 120 HIS CA . 34300 1 461 . 1 1 45 45 HIS CB C 13 32.08 0.10 . 1 . . . . A 120 HIS CB . 34300 1 462 . 1 1 45 45 HIS CD2 C 13 119.16 0.10 . 1 . . . . A 120 HIS CD2 . 34300 1 463 . 1 1 45 45 HIS N N 15 119.05 0.05 . 1 . . . . A 120 HIS N . 34300 1 464 . 1 1 46 46 ILE H H 1 7.80 0.02 . 1 . . . . A 121 ILE H . 34300 1 465 . 1 1 46 46 ILE HA H 1 4.33 0.02 . 1 . . . . A 121 ILE HA . 34300 1 466 . 1 1 46 46 ILE HB H 1 1.55 0.02 . 1 . . . . A 121 ILE HB . 34300 1 467 . 1 1 46 46 ILE HG21 H 1 0.16 0.02 . 1 . . . . A 121 ILE HG21 . 34300 1 468 . 1 1 46 46 ILE HG22 H 1 0.16 0.02 . 1 . . . . A 121 ILE HG22 . 34300 1 469 . 1 1 46 46 ILE HG23 H 1 0.16 0.02 . 1 . . . . A 121 ILE HG23 . 34300 1 470 . 1 1 46 46 ILE HD11 H 1 -0.01 0.02 . 1 . . . . A 121 ILE HD11 . 34300 1 471 . 1 1 46 46 ILE HD12 H 1 -0.01 0.02 . 1 . . . . A 121 ILE HD12 . 34300 1 472 . 1 1 46 46 ILE HD13 H 1 -0.01 0.02 . 1 . . . . A 121 ILE HD13 . 34300 1 473 . 1 1 46 46 ILE CA C 13 61.34 0.10 . 1 . . . . A 121 ILE CA . 34300 1 474 . 1 1 46 46 ILE CB C 13 39.13 0.10 . 1 . . . . A 121 ILE CB . 34300 1 475 . 1 1 46 46 ILE CG2 C 13 16.52 0.10 . 1 . . . . A 121 ILE CG2 . 34300 1 476 . 1 1 46 46 ILE CD1 C 13 14.53 0.10 . 1 . . . . A 121 ILE CD1 . 34300 1 477 . 1 1 46 46 ILE N N 15 106.86 0.05 . 1 . . . . A 121 ILE N . 34300 1 478 . 1 1 47 47 VAL H H 1 7.92 0.02 . 1 . . . . A 122 VAL H . 34300 1 479 . 1 1 47 47 VAL CB C 13 28.78 0.10 . 1 . . . . A 122 VAL CB . 34300 1 480 . 1 1 47 47 VAL N N 15 122.61 0.05 . 1 . . . . A 122 VAL N . 34300 1 481 . 1 1 51 51 MET HE1 H 1 2.07 0.02 . 1 . . . . A 126 MET HE1 . 34300 1 482 . 1 1 51 51 MET HE2 H 1 2.07 0.02 . 1 . . . . A 126 MET HE2 . 34300 1 483 . 1 1 51 51 MET HE3 H 1 2.07 0.02 . 1 . . . . A 126 MET HE3 . 34300 1 484 . 1 1 51 51 MET CE C 13 16.90 0.10 . 1 . . . . A 126 MET CE . 34300 1 485 . 1 1 52 52 HIS HA H 1 4.10 0.02 . 1 . . . . A 127 HIS HA . 34300 1 486 . 1 1 52 52 HIS HB2 H 1 3.01 0.02 . 2 . . . . A 127 HIS HB2 . 34300 1 487 . 1 1 52 52 HIS HB3 H 1 3.01 0.02 . 2 . . . . A 127 HIS HB3 . 34300 1 488 . 1 1 52 52 HIS C C 13 177.18 0.10 . 1 . . . . A 127 HIS C . 34300 1 489 . 1 1 52 52 HIS CA C 13 59.47 0.10 . 1 . . . . A 127 HIS CA . 34300 1 490 . 1 1 52 52 HIS CB C 13 29.76 0.10 . 1 . . . . A 127 HIS CB . 34300 1 491 . 1 1 53 53 GLU H H 1 6.52 0.02 . 1 . . . . A 128 GLU H . 34300 1 492 . 1 1 53 53 GLU HA H 1 4.02 0.02 . 1 . . . . A 128 GLU HA . 34300 1 493 . 1 1 53 53 GLU HB2 H 1 1.89 0.02 . 2 . . . . A 128 GLU HB2 . 34300 1 494 . 1 1 53 53 GLU HB3 H 1 1.89 0.02 . 2 . . . . A 128 GLU HB3 . 34300 1 495 . 1 1 53 53 GLU HG2 H 1 2.05 0.02 . 2 . . . . A 128 GLU HG2 . 34300 1 496 . 1 1 53 53 GLU HG3 H 1 2.05 0.02 . 2 . . . . A 128 GLU HG3 . 34300 1 497 . 1 1 53 53 GLU C C 13 179.28 0.10 . 1 . . . . A 128 GLU C . 34300 1 498 . 1 1 53 53 GLU CA C 13 58.92 0.10 . 1 . . . . A 128 GLU CA . 34300 1 499 . 1 1 53 53 GLU CB C 13 29.22 0.10 . 1 . . . . A 128 GLU CB . 34300 1 500 . 1 1 53 53 GLU CG C 13 36.41 0.10 . 1 . . . . A 128 GLU CG . 34300 1 501 . 1 1 53 53 GLU N N 15 119.03 0.05 . 1 . . . . A 128 GLU N . 34300 1 502 . 1 1 54 54 THR H H 1 7.47 0.02 . 1 . . . . A 129 THR H . 34300 1 503 . 1 1 54 54 THR HA H 1 3.76 0.02 . 1 . . . . A 129 THR HA . 34300 1 504 . 1 1 54 54 THR HB H 1 4.39 0.02 . 1 . . . . A 129 THR HB . 34300 1 505 . 1 1 54 54 THR HG21 H 1 1.00 0.02 . 1 . . . . A 129 THR HG21 . 34300 1 506 . 1 1 54 54 THR HG22 H 1 1.00 0.02 . 1 . . . . A 129 THR HG22 . 34300 1 507 . 1 1 54 54 THR HG23 H 1 1.00 0.02 . 1 . . . . A 129 THR HG23 . 34300 1 508 . 1 1 54 54 THR C C 13 177.23 0.10 . 1 . . . . A 129 THR C . 34300 1 509 . 1 1 54 54 THR CA C 13 66.08 0.10 . 1 . . . . A 129 THR CA . 34300 1 510 . 1 1 54 54 THR CB C 13 67.92 0.10 . 1 . . . . A 129 THR CB . 34300 1 511 . 1 1 54 54 THR CG2 C 13 22.83 0.10 . 1 . . . . A 129 THR CG2 . 34300 1 512 . 1 1 54 54 THR N N 15 119.66 0.05 . 1 . . . . A 129 THR N . 34300 1 513 . 1 1 55 55 LEU H H 1 8.39 0.02 . 1 . . . . A 130 LEU H . 34300 1 514 . 1 1 55 55 LEU HA H 1 4.15 0.02 . 1 . . . . A 130 LEU HA . 34300 1 515 . 1 1 55 55 LEU HB2 H 1 1.78 0.02 . 2 . . . . A 130 LEU HB2 . 34300 1 516 . 1 1 55 55 LEU HB3 H 1 1.78 0.02 . 2 . . . . A 130 LEU HB3 . 34300 1 517 . 1 1 55 55 LEU HG H 1 0.85 0.02 . 1 . . . . A 130 LEU HG . 34300 1 518 . 1 1 55 55 LEU HD11 H 1 0.70 0.02 . 2 . . . . A 130 LEU HD11 . 34300 1 519 . 1 1 55 55 LEU HD12 H 1 0.70 0.02 . 2 . . . . A 130 LEU HD12 . 34300 1 520 . 1 1 55 55 LEU HD13 H 1 0.70 0.02 . 2 . . . . A 130 LEU HD13 . 34300 1 521 . 1 1 55 55 LEU HD21 H 1 0.70 0.02 . 2 . . . . A 130 LEU HD21 . 34300 1 522 . 1 1 55 55 LEU HD22 H 1 0.70 0.02 . 2 . . . . A 130 LEU HD22 . 34300 1 523 . 1 1 55 55 LEU HD23 H 1 0.70 0.02 . 2 . . . . A 130 LEU HD23 . 34300 1 524 . 1 1 55 55 LEU C C 13 179.32 0.10 . 1 . . . . A 130 LEU C . 34300 1 525 . 1 1 55 55 LEU CA C 13 58.16 0.10 . 1 . . . . A 130 LEU CA . 34300 1 526 . 1 1 55 55 LEU CB C 13 41.91 0.10 . 1 . . . . A 130 LEU CB . 34300 1 527 . 1 1 55 55 LEU CG C 13 23.75 0.10 . 1 . . . . A 130 LEU CG . 34300 1 528 . 1 1 55 55 LEU CD1 C 13 26.72 0.10 . 2 . . . . A 130 LEU CD1 . 34300 1 529 . 1 1 55 55 LEU CD2 C 13 26.72 0.10 . 2 . . . . A 130 LEU CD2 . 34300 1 530 . 1 1 55 55 LEU N N 15 118.98 0.05 . 1 . . . . A 130 LEU N . 34300 1 531 . 1 1 56 56 ARG H H 1 7.67 0.02 . 1 . . . . A 131 ARG H . 34300 1 532 . 1 1 56 56 ARG HA H 1 4.05 0.02 . 1 . . . . A 131 ARG HA . 34300 1 533 . 1 1 56 56 ARG HB2 H 1 1.85 0.02 . 2 . . . . A 131 ARG HB2 . 34300 1 534 . 1 1 56 56 ARG HB3 H 1 1.85 0.02 . 2 . . . . A 131 ARG HB3 . 34300 1 535 . 1 1 56 56 ARG HG2 H 1 1.92 0.02 . 2 . . . . A 131 ARG HG2 . 34300 1 536 . 1 1 56 56 ARG HG3 H 1 1.92 0.02 . 2 . . . . A 131 ARG HG3 . 34300 1 537 . 1 1 56 56 ARG HD2 H 1 3.12 0.02 . 2 . . . . A 131 ARG HD2 . 34300 1 538 . 1 1 56 56 ARG HD3 H 1 3.12 0.02 . 2 . . . . A 131 ARG HD3 . 34300 1 539 . 1 1 56 56 ARG C C 13 177.70 0.10 . 1 . . . . A 131 ARG C . 34300 1 540 . 1 1 56 56 ARG CA C 13 59.30 0.10 . 1 . . . . A 131 ARG CA . 34300 1 541 . 1 1 56 56 ARG CB C 13 30.06 0.10 . 1 . . . . A 131 ARG CB . 34300 1 542 . 1 1 56 56 ARG CG C 13 29.15 0.10 . 1 . . . . A 131 ARG CG . 34300 1 543 . 1 1 56 56 ARG CD C 13 43.54 0.10 . 1 . . . . A 131 ARG CD . 34300 1 544 . 1 1 56 56 ARG N N 15 117.19 0.05 . 1 . . . . A 131 ARG N . 34300 1 545 . 1 1 57 57 ALA H H 1 7.77 0.02 . 1 . . . . A 132 ALA H . 34300 1 546 . 1 1 57 57 ALA HA H 1 4.57 0.02 . 1 . . . . A 132 ALA HA . 34300 1 547 . 1 1 57 57 ALA HB1 H 1 1.54 0.02 . 1 . . . . A 132 ALA HB1 . 34300 1 548 . 1 1 57 57 ALA HB2 H 1 1.54 0.02 . 1 . . . . A 132 ALA HB2 . 34300 1 549 . 1 1 57 57 ALA HB3 H 1 1.54 0.02 . 1 . . . . A 132 ALA HB3 . 34300 1 550 . 1 1 57 57 ALA C C 13 178.35 0.10 . 1 . . . . A 132 ALA C . 34300 1 551 . 1 1 57 57 ALA CA C 13 52.80 0.10 . 1 . . . . A 132 ALA CA . 34300 1 552 . 1 1 57 57 ALA CB C 13 18.88 0.10 . 1 . . . . A 132 ALA CB . 34300 1 553 . 1 1 57 57 ALA N N 15 122.67 0.05 . 1 . . . . A 132 ALA N . 34300 1 554 . 1 1 58 58 MET H H 1 7.39 0.02 . 1 . . . . A 133 MET H . 34300 1 555 . 1 1 58 58 MET HA H 1 4.42 0.02 . 1 . . . . A 133 MET HA . 34300 1 556 . 1 1 58 58 MET HB2 H 1 2.40 0.02 . 2 . . . . A 133 MET HB2 . 34300 1 557 . 1 1 58 58 MET HB3 H 1 2.40 0.02 . 2 . . . . A 133 MET HB3 . 34300 1 558 . 1 1 58 58 MET HG2 H 1 2.69 0.02 . 2 . . . . A 133 MET HG2 . 34300 1 559 . 1 1 58 58 MET HG3 H 1 2.94 0.02 . 2 . . . . A 133 MET HG3 . 34300 1 560 . 1 1 58 58 MET HE1 H 1 2.12 0.02 . 1 . . . . A 133 MET HE1 . 34300 1 561 . 1 1 58 58 MET HE2 H 1 2.12 0.02 . 1 . . . . A 133 MET HE2 . 34300 1 562 . 1 1 58 58 MET HE3 H 1 2.12 0.02 . 1 . . . . A 133 MET HE3 . 34300 1 563 . 1 1 58 58 MET CA C 13 56.82 0.10 . 1 . . . . A 133 MET CA . 34300 1 564 . 1 1 58 58 MET CB C 13 34.52 0.10 . 1 . . . . A 133 MET CB . 34300 1 565 . 1 1 58 58 MET CG C 13 32.74 0.10 . 1 . . . . A 133 MET CG . 34300 1 566 . 1 1 58 58 MET CE C 13 16.96 0.10 . 1 . . . . A 133 MET CE . 34300 1 567 . 1 1 58 58 MET N N 15 116.72 0.05 . 1 . . . . A 133 MET N . 34300 1 568 . 1 1 59 59 GLY H H 1 8.36 0.02 . 1 . . . . A 134 GLY H . 34300 1 569 . 1 1 59 59 GLY HA2 H 1 4.04 0.02 . 2 . . . . A 134 GLY HA2 . 34300 1 570 . 1 1 59 59 GLY HA3 H 1 4.04 0.02 . 2 . . . . A 134 GLY HA3 . 34300 1 571 . 1 1 59 59 GLY C C 13 175.82 0.10 . 1 . . . . A 134 GLY C . 34300 1 572 . 1 1 59 59 GLY CA C 13 46.70 0.10 . 1 . . . . A 134 GLY CA . 34300 1 573 . 1 1 59 59 GLY N N 15 109.37 0.05 . 1 . . . . A 134 GLY N . 34300 1 574 . 1 1 60 60 LEU H H 1 8.66 0.02 . 1 . . . . A 135 LEU H . 34300 1 575 . 1 1 60 60 LEU HA H 1 4.26 0.02 . 1 . . . . A 135 LEU HA . 34300 1 576 . 1 1 60 60 LEU HB2 H 1 1.40 0.02 . 2 . . . . A 135 LEU HB2 . 34300 1 577 . 1 1 60 60 LEU HB3 H 1 1.40 0.02 . 2 . . . . A 135 LEU HB3 . 34300 1 578 . 1 1 60 60 LEU HD11 H 1 0.80 0.02 . 2 . . . . A 135 LEU HD11 . 34300 1 579 . 1 1 60 60 LEU HD12 H 1 0.80 0.02 . 2 . . . . A 135 LEU HD12 . 34300 1 580 . 1 1 60 60 LEU HD13 H 1 0.80 0.02 . 2 . . . . A 135 LEU HD13 . 34300 1 581 . 1 1 60 60 LEU HD21 H 1 0.80 0.02 . 2 . . . . A 135 LEU HD21 . 34300 1 582 . 1 1 60 60 LEU HD22 H 1 0.80 0.02 . 2 . . . . A 135 LEU HD22 . 34300 1 583 . 1 1 60 60 LEU HD23 H 1 0.80 0.02 . 2 . . . . A 135 LEU HD23 . 34300 1 584 . 1 1 60 60 LEU C C 13 178.04 0.10 . 1 . . . . A 135 LEU C . 34300 1 585 . 1 1 60 60 LEU CA C 13 54.44 0.10 . 1 . . . . A 135 LEU CA . 34300 1 586 . 1 1 60 60 LEU CB C 13 42.05 0.10 . 1 . . . . A 135 LEU CB . 34300 1 587 . 1 1 60 60 LEU CD1 C 13 25.65 0.10 . 2 . . . . A 135 LEU CD1 . 34300 1 588 . 1 1 60 60 LEU CD2 C 13 25.65 0.10 . 2 . . . . A 135 LEU CD2 . 34300 1 589 . 1 1 60 60 LEU N N 15 118.60 0.05 . 1 . . . . A 135 LEU N . 34300 1 590 . 1 1 61 61 GLY H H 1 8.66 0.02 . 1 . . . . A 136 GLY H . 34300 1 591 . 1 1 61 61 GLY HA2 H 1 3.76 0.02 . 2 . . . . A 136 GLY HA2 . 34300 1 592 . 1 1 61 61 GLY HA3 H 1 3.76 0.02 . 2 . . . . A 136 GLY HA3 . 34300 1 593 . 1 1 61 61 GLY CA C 13 46.17 0.10 . 1 . . . . A 136 GLY CA . 34300 1 594 . 1 1 61 61 GLY N N 15 109.31 0.05 . 1 . . . . A 136 GLY N . 34300 1 595 . 1 1 62 62 GLU HA H 1 4.28 0.02 . 1 . . . . A 137 GLU HA . 34300 1 596 . 1 1 62 62 GLU HB2 H 1 2.21 0.02 . 2 . . . . A 137 GLU HB2 . 34300 1 597 . 1 1 62 62 GLU HB3 H 1 2.10 0.02 . 2 . . . . A 137 GLU HB3 . 34300 1 598 . 1 1 62 62 GLU HG2 H 1 2.42 0.02 . 2 . . . . A 137 GLU HG2 . 34300 1 599 . 1 1 62 62 GLU HG3 H 1 2.42 0.02 . 2 . . . . A 137 GLU HG3 . 34300 1 600 . 1 1 62 62 GLU C C 13 178.67 0.10 . 1 . . . . A 137 GLU C . 34300 1 601 . 1 1 62 62 GLU CA C 13 58.93 0.10 . 1 . . . . A 137 GLU CA . 34300 1 602 . 1 1 62 62 GLU CB C 13 29.20 0.10 . 1 . . . . A 137 GLU CB . 34300 1 603 . 1 1 62 62 GLU CG C 13 36.47 0.10 . 1 . . . . A 137 GLU CG . 34300 1 604 . 1 1 63 63 SER H H 1 8.21 0.02 . 1 . . . . A 138 SER H . 34300 1 605 . 1 1 63 63 SER HA H 1 4.63 0.02 . 1 . . . . A 138 SER HA . 34300 1 606 . 1 1 63 63 SER HB2 H 1 4.12 0.02 . 2 . . . . A 138 SER HB2 . 34300 1 607 . 1 1 63 63 SER HB3 H 1 3.95 0.02 . 2 . . . . A 138 SER HB3 . 34300 1 608 . 1 1 63 63 SER C C 13 175.02 0.10 . 1 . . . . A 138 SER C . 34300 1 609 . 1 1 63 63 SER CA C 13 60.39 0.10 . 1 . . . . A 138 SER CA . 34300 1 610 . 1 1 63 63 SER CB C 13 63.31 0.10 . 1 . . . . A 138 SER CB . 34300 1 611 . 1 1 63 63 SER N N 15 114.82 0.05 . 1 . . . . A 138 SER N . 34300 1 612 . 1 1 64 64 ALA H H 1 7.80 0.02 . 1 . . . . A 139 ALA H . 34300 1 613 . 1 1 64 64 ALA HA H 1 3.82 0.02 . 1 . . . . A 139 ALA HA . 34300 1 614 . 1 1 64 64 ALA HB1 H 1 1.47 0.02 . 1 . . . . A 139 ALA HB1 . 34300 1 615 . 1 1 64 64 ALA HB2 H 1 1.47 0.02 . 1 . . . . A 139 ALA HB2 . 34300 1 616 . 1 1 64 64 ALA HB3 H 1 1.47 0.02 . 1 . . . . A 139 ALA HB3 . 34300 1 617 . 1 1 64 64 ALA C C 13 179.00 0.10 . 1 . . . . A 139 ALA C . 34300 1 618 . 1 1 64 64 ALA CA C 13 55.65 0.10 . 1 . . . . A 139 ALA CA . 34300 1 619 . 1 1 64 64 ALA CB C 13 19.07 0.10 . 1 . . . . A 139 ALA CB . 34300 1 620 . 1 1 64 64 ALA N N 15 123.47 0.05 . 1 . . . . A 139 ALA N . 34300 1 621 . 1 1 65 65 GLU H H 1 7.94 0.02 . 1 . . . . A 140 GLU H . 34300 1 622 . 1 1 65 65 GLU HA H 1 4.09 0.02 . 1 . . . . A 140 GLU HA . 34300 1 623 . 1 1 65 65 GLU HB2 H 1 2.11 0.02 . 2 . . . . A 140 GLU HB2 . 34300 1 624 . 1 1 65 65 GLU HB3 H 1 2.20 0.02 . 2 . . . . A 140 GLU HB3 . 34300 1 625 . 1 1 65 65 GLU HG2 H 1 2.51 0.02 . 2 . . . . A 140 GLU HG2 . 34300 1 626 . 1 1 65 65 GLU HG3 H 1 2.40 0.02 . 2 . . . . A 140 GLU HG3 . 34300 1 627 . 1 1 65 65 GLU C C 13 179.27 0.10 . 1 . . . . A 140 GLU C . 34300 1 628 . 1 1 65 65 GLU CA C 13 58.89 0.10 . 1 . . . . A 140 GLU CA . 34300 1 629 . 1 1 65 65 GLU CB C 13 28.42 0.10 . 1 . . . . A 140 GLU CB . 34300 1 630 . 1 1 65 65 GLU CG C 13 35.92 0.10 . 1 . . . . A 140 GLU CG . 34300 1 631 . 1 1 65 65 GLU N N 15 114.04 0.05 . 1 . . . . A 140 GLU N . 34300 1 632 . 1 1 66 66 GLU H H 1 7.53 0.02 . 1 . . . . A 141 GLU H . 34300 1 633 . 1 1 66 66 GLU HA H 1 4.19 0.02 . 1 . . . . A 141 GLU HA . 34300 1 634 . 1 1 66 66 GLU HB2 H 1 2.24 0.02 . 2 . . . . A 141 GLU HB2 . 34300 1 635 . 1 1 66 66 GLU HB3 H 1 2.12 0.02 . 2 . . . . A 141 GLU HB3 . 34300 1 636 . 1 1 66 66 GLU HG2 H 1 2.39 0.02 . 2 . . . . A 141 GLU HG2 . 34300 1 637 . 1 1 66 66 GLU HG3 H 1 2.39 0.02 . 2 . . . . A 141 GLU HG3 . 34300 1 638 . 1 1 66 66 GLU C C 13 179.34 0.10 . 1 . . . . A 141 GLU C . 34300 1 639 . 1 1 66 66 GLU CA C 13 58.77 0.10 . 1 . . . . A 141 GLU CA . 34300 1 640 . 1 1 66 66 GLU CB C 13 29.64 0.10 . 1 . . . . A 141 GLU CB . 34300 1 641 . 1 1 66 66 GLU CG C 13 36.49 0.10 . 1 . . . . A 141 GLU CG . 34300 1 642 . 1 1 66 66 GLU N N 15 119.13 0.05 . 1 . . . . A 141 GLU N . 34300 1 643 . 1 1 67 67 ALA H H 1 8.08 0.02 . 1 . . . . A 142 ALA H . 34300 1 644 . 1 1 67 67 ALA HA H 1 4.12 0.02 . 1 . . . . A 142 ALA HA . 34300 1 645 . 1 1 67 67 ALA HB1 H 1 1.44 0.02 . 1 . . . . A 142 ALA HB1 . 34300 1 646 . 1 1 67 67 ALA HB2 H 1 1.44 0.02 . 1 . . . . A 142 ALA HB2 . 34300 1 647 . 1 1 67 67 ALA HB3 H 1 1.44 0.02 . 1 . . . . A 142 ALA HB3 . 34300 1 648 . 1 1 67 67 ALA C C 13 178.81 0.10 . 1 . . . . A 142 ALA C . 34300 1 649 . 1 1 67 67 ALA CA C 13 55.21 0.10 . 1 . . . . A 142 ALA CA . 34300 1 650 . 1 1 67 67 ALA CB C 13 17.96 0.10 . 1 . . . . A 142 ALA CB . 34300 1 651 . 1 1 67 67 ALA N N 15 122.34 0.05 . 1 . . . . A 142 ALA N . 34300 1 652 . 1 1 68 68 ILE H H 1 8.33 0.02 . 1 . . . . A 143 ILE H . 34300 1 653 . 1 1 68 68 ILE HA H 1 3.63 0.02 . 1 . . . . A 143 ILE HA . 34300 1 654 . 1 1 68 68 ILE HB H 1 1.98 0.02 . 1 . . . . A 143 ILE HB . 34300 1 655 . 1 1 68 68 ILE HG21 H 1 0.94 0.02 . 1 . . . . A 143 ILE HG21 . 34300 1 656 . 1 1 68 68 ILE HG22 H 1 0.94 0.02 . 1 . . . . A 143 ILE HG22 . 34300 1 657 . 1 1 68 68 ILE HG23 H 1 0.94 0.02 . 1 . . . . A 143 ILE HG23 . 34300 1 658 . 1 1 68 68 ILE HD11 H 1 0.90 0.02 . 1 . . . . A 143 ILE HD11 . 34300 1 659 . 1 1 68 68 ILE HD12 H 1 0.90 0.02 . 1 . . . . A 143 ILE HD12 . 34300 1 660 . 1 1 68 68 ILE HD13 H 1 0.90 0.02 . 1 . . . . A 143 ILE HD13 . 34300 1 661 . 1 1 68 68 ILE C C 13 177.65 0.10 . 1 . . . . A 143 ILE C . 34300 1 662 . 1 1 68 68 ILE CA C 13 65.50 0.10 . 1 . . . . A 143 ILE CA . 34300 1 663 . 1 1 68 68 ILE CB C 13 38.08 0.10 . 1 . . . . A 143 ILE CB . 34300 1 664 . 1 1 68 68 ILE CG2 C 13 17.51 0.10 . 1 . . . . A 143 ILE CG2 . 34300 1 665 . 1 1 68 68 ILE CD1 C 13 14.12 0.10 . 1 . . . . A 143 ILE CD1 . 34300 1 666 . 1 1 68 68 ILE N N 15 119.41 0.05 . 1 . . . . A 143 ILE N . 34300 1 667 . 1 1 69 69 VAL H H 1 7.54 0.02 . 1 . . . . A 144 VAL H . 34300 1 668 . 1 1 69 69 VAL HA H 1 3.64 0.02 . 1 . . . . A 144 VAL HA . 34300 1 669 . 1 1 69 69 VAL HB H 1 2.18 0.02 . 1 . . . . A 144 VAL HB . 34300 1 670 . 1 1 69 69 VAL HG11 H 1 0.99 0.02 . 2 . . . . A 144 VAL HG11 . 34300 1 671 . 1 1 69 69 VAL HG12 H 1 0.99 0.02 . 2 . . . . A 144 VAL HG12 . 34300 1 672 . 1 1 69 69 VAL HG13 H 1 0.99 0.02 . 2 . . . . A 144 VAL HG13 . 34300 1 673 . 1 1 69 69 VAL HG21 H 1 1.15 0.02 . 2 . . . . A 144 VAL HG21 . 34300 1 674 . 1 1 69 69 VAL HG22 H 1 1.15 0.02 . 2 . . . . A 144 VAL HG22 . 34300 1 675 . 1 1 69 69 VAL HG23 H 1 1.15 0.02 . 2 . . . . A 144 VAL HG23 . 34300 1 676 . 1 1 69 69 VAL C C 13 178.99 0.10 . 1 . . . . A 144 VAL C . 34300 1 677 . 1 1 69 69 VAL CA C 13 66.93 0.10 . 1 . . . . A 144 VAL CA . 34300 1 678 . 1 1 69 69 VAL CB C 13 31.90 0.10 . 1 . . . . A 144 VAL CB . 34300 1 679 . 1 1 69 69 VAL CG1 C 13 21.12 0.10 . 2 . . . . A 144 VAL CG1 . 34300 1 680 . 1 1 69 69 VAL CG2 C 13 22.79 0.10 . 2 . . . . A 144 VAL CG2 . 34300 1 681 . 1 1 69 69 VAL N N 15 120.29 0.05 . 1 . . . . A 144 VAL N . 34300 1 682 . 1 1 70 70 ALA H H 1 7.97 0.02 . 1 . . . . A 145 ALA H . 34300 1 683 . 1 1 70 70 ALA HA H 1 4.20 0.02 . 1 . . . . A 145 ALA HA . 34300 1 684 . 1 1 70 70 ALA HB1 H 1 1.28 0.02 . 1 . . . . A 145 ALA HB1 . 34300 1 685 . 1 1 70 70 ALA HB2 H 1 1.28 0.02 . 1 . . . . A 145 ALA HB2 . 34300 1 686 . 1 1 70 70 ALA HB3 H 1 1.28 0.02 . 1 . . . . A 145 ALA HB3 . 34300 1 687 . 1 1 70 70 ALA C C 13 180.31 0.10 . 1 . . . . A 145 ALA C . 34300 1 688 . 1 1 70 70 ALA CA C 13 55.03 0.10 . 1 . . . . A 145 ALA CA . 34300 1 689 . 1 1 70 70 ALA CB C 13 18.15 0.10 . 1 . . . . A 145 ALA CB . 34300 1 690 . 1 1 70 70 ALA N N 15 122.38 0.05 . 1 . . . . A 145 ALA N . 34300 1 691 . 1 1 71 71 TYR H H 1 9.10 0.02 . 1 . . . . A 146 TYR H . 34300 1 692 . 1 1 71 71 TYR HA H 1 4.07 0.02 . 1 . . . . A 146 TYR HA . 34300 1 693 . 1 1 71 71 TYR HB2 H 1 3.25 0.02 . 2 . . . . A 146 TYR HB2 . 34300 1 694 . 1 1 71 71 TYR HB3 H 1 2.99 0.02 . 2 . . . . A 146 TYR HB3 . 34300 1 695 . 1 1 71 71 TYR HD1 H 1 6.85 0.02 . 3 . . . . A 146 TYR HD1 . 34300 1 696 . 1 1 71 71 TYR HD2 H 1 6.85 0.02 . 3 . . . . A 146 TYR HD2 . 34300 1 697 . 1 1 71 71 TYR HE1 H 1 7.02 0.02 . 3 . . . . A 146 TYR HE1 . 34300 1 698 . 1 1 71 71 TYR HE2 H 1 7.02 0.02 . 3 . . . . A 146 TYR HE2 . 34300 1 699 . 1 1 71 71 TYR C C 13 176.55 0.10 . 1 . . . . A 146 TYR C . 34300 1 700 . 1 1 71 71 TYR CA C 13 62.33 0.10 . 1 . . . . A 146 TYR CA . 34300 1 701 . 1 1 71 71 TYR CB C 13 38.34 0.10 . 1 . . . . A 146 TYR CB . 34300 1 702 . 1 1 71 71 TYR CD1 C 13 132.56 0.10 . 3 . . . . A 146 TYR CD1 . 34300 1 703 . 1 1 71 71 TYR CD2 C 13 132.56 0.10 . 3 . . . . A 146 TYR CD2 . 34300 1 704 . 1 1 71 71 TYR CE1 C 13 118.81 0.10 . 3 . . . . A 146 TYR CE1 . 34300 1 705 . 1 1 71 71 TYR CE2 C 13 118.81 0.10 . 3 . . . . A 146 TYR CE2 . 34300 1 706 . 1 1 71 71 TYR N N 15 120.29 0.05 . 1 . . . . A 146 TYR N . 34300 1 707 . 1 1 72 72 ARG H H 1 8.68 0.02 . 1 . . . . A 147 ARG H . 34300 1 708 . 1 1 72 72 ARG HA H 1 3.87 0.02 . 1 . . . . A 147 ARG HA . 34300 1 709 . 1 1 72 72 ARG HB2 H 1 2.03 0.02 . 2 . . . . A 147 ARG HB2 . 34300 1 710 . 1 1 72 72 ARG HB3 H 1 2.03 0.02 . 2 . . . . A 147 ARG HB3 . 34300 1 711 . 1 1 72 72 ARG HG2 H 1 1.92 0.02 . 2 . . . . A 147 ARG HG2 . 34300 1 712 . 1 1 72 72 ARG HG3 H 1 1.92 0.02 . 2 . . . . A 147 ARG HG3 . 34300 1 713 . 1 1 72 72 ARG HD2 H 1 3.25 0.02 . 2 . . . . A 147 ARG HD2 . 34300 1 714 . 1 1 72 72 ARG HD3 H 1 3.25 0.02 . 2 . . . . A 147 ARG HD3 . 34300 1 715 . 1 1 72 72 ARG C C 13 179.75 0.10 . 1 . . . . A 147 ARG C . 34300 1 716 . 1 1 72 72 ARG CA C 13 60.17 0.10 . 1 . . . . A 147 ARG CA . 34300 1 717 . 1 1 72 72 ARG CB C 13 30.26 0.10 . 1 . . . . A 147 ARG CB . 34300 1 718 . 1 1 72 72 ARG CG C 13 28.72 0.10 . 1 . . . . A 147 ARG CG . 34300 1 719 . 1 1 72 72 ARG CD C 13 44.05 0.10 . 1 . . . . A 147 ARG CD . 34300 1 720 . 1 1 72 72 ARG N N 15 118.67 0.05 . 1 . . . . A 147 ARG N . 34300 1 721 . 1 1 73 73 ALA H H 1 8.24 0.02 . 1 . . . . A 148 ALA H . 34300 1 722 . 1 1 73 73 ALA HA H 1 4.15 0.02 . 1 . . . . A 148 ALA HA . 34300 1 723 . 1 1 73 73 ALA HB1 H 1 1.51 0.02 . 1 . . . . A 148 ALA HB1 . 34300 1 724 . 1 1 73 73 ALA HB2 H 1 1.51 0.02 . 1 . . . . A 148 ALA HB2 . 34300 1 725 . 1 1 73 73 ALA HB3 H 1 1.51 0.02 . 1 . . . . A 148 ALA HB3 . 34300 1 726 . 1 1 73 73 ALA C C 13 180.29 0.10 . 1 . . . . A 148 ALA C . 34300 1 727 . 1 1 73 73 ALA CA C 13 55.09 0.10 . 1 . . . . A 148 ALA CA . 34300 1 728 . 1 1 73 73 ALA CB C 13 18.18 0.10 . 1 . . . . A 148 ALA CB . 34300 1 729 . 1 1 73 73 ALA N N 15 121.77 0.05 . 1 . . . . A 148 ALA N . 34300 1 730 . 1 1 74 74 ASP H H 1 8.10 0.02 . 1 . . . . A 149 ASP H . 34300 1 731 . 1 1 74 74 ASP HA H 1 4.33 0.02 . 1 . . . . A 149 ASP HA . 34300 1 732 . 1 1 74 74 ASP HB2 H 1 2.35 0.02 . 2 . . . . A 149 ASP HB2 . 34300 1 733 . 1 1 74 74 ASP HB3 H 1 2.35 0.02 . 2 . . . . A 149 ASP HB3 . 34300 1 734 . 1 1 74 74 ASP C C 13 179.04 0.10 . 1 . . . . A 149 ASP C . 34300 1 735 . 1 1 74 74 ASP CA C 13 57.68 0.10 . 1 . . . . A 149 ASP CA . 34300 1 736 . 1 1 74 74 ASP CB C 13 44.33 0.10 . 1 . . . . A 149 ASP CB . 34300 1 737 . 1 1 74 74 ASP N N 15 119.03 0.05 . 1 . . . . A 149 ASP N . 34300 1 738 . 1 1 75 75 TYR H H 1 9.81 0.02 . 1 . . . . A 150 TYR H . 34300 1 739 . 1 1 75 75 TYR HA H 1 3.94 0.02 . 1 . . . . A 150 TYR HA . 34300 1 740 . 1 1 75 75 TYR HB2 H 1 2.59 0.02 . 2 . . . . A 150 TYR HB2 . 34300 1 741 . 1 1 75 75 TYR HB3 H 1 2.47 0.02 . 2 . . . . A 150 TYR HB3 . 34300 1 742 . 1 1 75 75 TYR HD1 H 1 7.19 0.02 . 3 . . . . A 150 TYR HD1 . 34300 1 743 . 1 1 75 75 TYR HD2 H 1 7.19 0.02 . 3 . . . . A 150 TYR HD2 . 34300 1 744 . 1 1 75 75 TYR HE1 H 1 6.57 0.02 . 3 . . . . A 150 TYR HE1 . 34300 1 745 . 1 1 75 75 TYR HE2 H 1 6.57 0.02 . 3 . . . . A 150 TYR HE2 . 34300 1 746 . 1 1 75 75 TYR C C 13 177.81 0.10 . 1 . . . . A 150 TYR C . 34300 1 747 . 1 1 75 75 TYR CA C 13 64.37 0.10 . 1 . . . . A 150 TYR CA . 34300 1 748 . 1 1 75 75 TYR CB C 13 37.84 0.10 . 1 . . . . A 150 TYR CB . 34300 1 749 . 1 1 75 75 TYR CD1 C 13 133.28 0.10 . 3 . . . . A 150 TYR CD1 . 34300 1 750 . 1 1 75 75 TYR CD2 C 13 133.28 0.10 . 3 . . . . A 150 TYR CD2 . 34300 1 751 . 1 1 75 75 TYR CE1 C 13 118.36 0.10 . 3 . . . . A 150 TYR CE1 . 34300 1 752 . 1 1 75 75 TYR CE2 C 13 118.36 0.10 . 3 . . . . A 150 TYR CE2 . 34300 1 753 . 1 1 75 75 TYR N N 15 125.14 0.05 . 1 . . . . A 150 TYR N . 34300 1 754 . 1 1 76 76 SER H H 1 8.03 0.02 . 1 . . . . A 151 SER H . 34300 1 755 . 1 1 76 76 SER HA H 1 3.98 0.02 . 1 . . . . A 151 SER HA . 34300 1 756 . 1 1 76 76 SER HB2 H 1 3.96 0.02 . 2 . . . . A 151 SER HB2 . 34300 1 757 . 1 1 76 76 SER HB3 H 1 3.96 0.02 . 2 . . . . A 151 SER HB3 . 34300 1 758 . 1 1 76 76 SER C C 13 175.28 0.10 . 1 . . . . A 151 SER C . 34300 1 759 . 1 1 76 76 SER CA C 13 61.42 0.10 . 1 . . . . A 151 SER CA . 34300 1 760 . 1 1 76 76 SER CB C 13 63.17 0.10 . 1 . . . . A 151 SER CB . 34300 1 761 . 1 1 76 76 SER N N 15 111.44 0.05 . 1 . . . . A 151 SER N . 34300 1 762 . 1 1 77 77 ALA H H 1 7.53 0.02 . 1 . . . . A 152 ALA H . 34300 1 763 . 1 1 77 77 ALA HA H 1 4.47 0.02 . 1 . . . . A 152 ALA HA . 34300 1 764 . 1 1 77 77 ALA HB1 H 1 1.48 0.02 . 1 . . . . A 152 ALA HB1 . 34300 1 765 . 1 1 77 77 ALA HB2 H 1 1.48 0.02 . 1 . . . . A 152 ALA HB2 . 34300 1 766 . 1 1 77 77 ALA HB3 H 1 1.48 0.02 . 1 . . . . A 152 ALA HB3 . 34300 1 767 . 1 1 77 77 ALA C C 13 179.06 0.10 . 1 . . . . A 152 ALA C . 34300 1 768 . 1 1 77 77 ALA CA C 13 54.07 0.10 . 1 . . . . A 152 ALA CA . 34300 1 769 . 1 1 77 77 ALA CB C 13 20.03 0.10 . 1 . . . . A 152 ALA CB . 34300 1 770 . 1 1 77 77 ALA N N 15 120.14 0.05 . 1 . . . . A 152 ALA N . 34300 1 771 . 1 1 78 78 ARG H H 1 8.22 0.02 . 1 . . . . A 153 ARG H . 34300 1 772 . 1 1 78 78 ARG HA H 1 4.37 0.02 . 1 . . . . A 153 ARG HA . 34300 1 773 . 1 1 78 78 ARG HB2 H 1 1.77 0.02 . 2 . . . . A 153 ARG HB2 . 34300 1 774 . 1 1 78 78 ARG HB3 H 1 1.57 0.02 . 2 . . . . A 153 ARG HB3 . 34300 1 775 . 1 1 78 78 ARG HG2 H 1 1.45 0.02 . 2 . . . . A 153 ARG HG2 . 34300 1 776 . 1 1 78 78 ARG HG3 H 1 1.45 0.02 . 2 . . . . A 153 ARG HG3 . 34300 1 777 . 1 1 78 78 ARG C C 13 176.82 0.10 . 1 . . . . A 153 ARG C . 34300 1 778 . 1 1 78 78 ARG CA C 13 57.87 0.10 . 1 . . . . A 153 ARG CA . 34300 1 779 . 1 1 78 78 ARG CB C 13 33.91 0.10 . 1 . . . . A 153 ARG CB . 34300 1 780 . 1 1 78 78 ARG CG C 13 26.90 0.10 . 1 . . . . A 153 ARG CG . 34300 1 781 . 1 1 78 78 ARG N N 15 115.80 0.05 . 1 . . . . A 153 ARG N . 34300 1 782 . 1 1 79 79 GLY H H 1 8.08 0.02 . 1 . . . . A 154 GLY H . 34300 1 783 . 1 1 79 79 GLY HA2 H 1 3.85 0.02 . 2 . . . . A 154 GLY HA2 . 34300 1 784 . 1 1 79 79 GLY HA3 H 1 3.85 0.02 . 2 . . . . A 154 GLY HA3 . 34300 1 785 . 1 1 79 79 GLY C C 13 176.44 0.10 . 1 . . . . A 154 GLY C . 34300 1 786 . 1 1 79 79 GLY CA C 13 48.41 0.10 . 1 . . . . A 154 GLY CA . 34300 1 787 . 1 1 79 79 GLY N N 15 110.26 0.05 . 1 . . . . A 154 GLY N . 34300 1 788 . 1 1 80 80 TRP H H 1 8.43 0.02 . 1 . . . . A 155 TRP H . 34300 1 789 . 1 1 80 80 TRP HA H 1 3.48 0.02 . 1 . . . . A 155 TRP HA . 34300 1 790 . 1 1 80 80 TRP HB2 H 1 2.44 0.02 . 2 . . . . A 155 TRP HB2 . 34300 1 791 . 1 1 80 80 TRP HB3 H 1 2.44 0.02 . 2 . . . . A 155 TRP HB3 . 34300 1 792 . 1 1 80 80 TRP HD1 H 1 7.08 0.02 . 1 . . . . A 155 TRP HD1 . 34300 1 793 . 1 1 80 80 TRP HE1 H 1 9.38 0.02 . 1 . . . . A 155 TRP HE1 . 34300 1 794 . 1 1 80 80 TRP HE3 H 1 7.00 0.02 . 1 . . . . A 155 TRP HE3 . 34300 1 795 . 1 1 80 80 TRP HZ2 H 1 7.20 0.02 . 1 . . . . A 155 TRP HZ2 . 34300 1 796 . 1 1 80 80 TRP HZ3 H 1 6.12 0.02 . 1 . . . . A 155 TRP HZ3 . 34300 1 797 . 1 1 80 80 TRP HH2 H 1 6.57 0.02 . 1 . . . . A 155 TRP HH2 . 34300 1 798 . 1 1 80 80 TRP CA C 13 58.68 0.10 . 1 . . . . A 155 TRP CA . 34300 1 799 . 1 1 80 80 TRP CB C 13 26.48 0.10 . 1 . . . . A 155 TRP CB . 34300 1 800 . 1 1 80 80 TRP CD1 C 13 127.75 0.10 . 1 . . . . A 155 TRP CD1 . 34300 1 801 . 1 1 80 80 TRP CE3 C 13 119.59 0.10 . 1 . . . . A 155 TRP CE3 . 34300 1 802 . 1 1 80 80 TRP CZ2 C 13 114.23 0.10 . 1 . . . . A 155 TRP CZ2 . 34300 1 803 . 1 1 80 80 TRP CZ3 C 13 120.42 0.10 . 1 . . . . A 155 TRP CZ3 . 34300 1 804 . 1 1 80 80 TRP CH2 C 13 123.87 0.10 . 1 . . . . A 155 TRP CH2 . 34300 1 805 . 1 1 80 80 TRP N N 15 121.14 0.05 . 1 . . . . A 155 TRP N . 34300 1 806 . 1 1 80 80 TRP NE1 N 15 128.45 0.05 . 1 . . . . A 155 TRP NE1 . 34300 1 807 . 1 1 81 81 ALA HA H 1 3.08 0.02 . 1 . . . . A 156 ALA HA . 34300 1 808 . 1 1 81 81 ALA HB1 H 1 -0.24 0.02 . 1 . . . . A 156 ALA HB1 . 34300 1 809 . 1 1 81 81 ALA HB2 H 1 -0.24 0.02 . 1 . . . . A 156 ALA HB2 . 34300 1 810 . 1 1 81 81 ALA HB3 H 1 -0.24 0.02 . 1 . . . . A 156 ALA HB3 . 34300 1 811 . 1 1 81 81 ALA C C 13 178.30 0.10 . 1 . . . . A 156 ALA C . 34300 1 812 . 1 1 81 81 ALA CA C 13 51.56 0.10 . 1 . . . . A 156 ALA CA . 34300 1 813 . 1 1 81 81 ALA CB C 13 16.75 0.10 . 1 . . . . A 156 ALA CB . 34300 1 814 . 1 1 82 82 MET H H 1 7.30 0.02 . 1 . . . . A 157 MET H . 34300 1 815 . 1 1 82 82 MET HA H 1 4.27 0.02 . 1 . . . . A 157 MET HA . 34300 1 816 . 1 1 82 82 MET HB2 H 1 2.37 0.02 . 2 . . . . A 157 MET HB2 . 34300 1 817 . 1 1 82 82 MET HB3 H 1 2.37 0.02 . 2 . . . . A 157 MET HB3 . 34300 1 818 . 1 1 82 82 MET HE1 H 1 2.02 0.02 . 1 . . . . A 157 MET HE1 . 34300 1 819 . 1 1 82 82 MET HE2 H 1 2.02 0.02 . 1 . . . . A 157 MET HE2 . 34300 1 820 . 1 1 82 82 MET HE3 H 1 2.02 0.02 . 1 . . . . A 157 MET HE3 . 34300 1 821 . 1 1 82 82 MET C C 13 173.84 0.10 . 1 . . . . A 157 MET C . 34300 1 822 . 1 1 82 82 MET CA C 13 55.34 0.10 . 1 . . . . A 157 MET CA . 34300 1 823 . 1 1 82 82 MET CB C 13 30.59 0.10 . 1 . . . . A 157 MET CB . 34300 1 824 . 1 1 82 82 MET CE C 13 17.04 0.10 . 1 . . . . A 157 MET CE . 34300 1 825 . 1 1 82 82 MET N N 15 121.50 0.05 . 1 . . . . A 157 MET N . 34300 1 826 . 1 1 83 83 ASN H H 1 7.24 0.02 . 1 . . . . A 158 ASN H . 34300 1 827 . 1 1 83 83 ASN HA H 1 4.90 0.02 . 1 . . . . A 158 ASN HA . 34300 1 828 . 1 1 83 83 ASN HB2 H 1 2.62 0.02 . 2 . . . . A 158 ASN HB2 . 34300 1 829 . 1 1 83 83 ASN HB3 H 1 2.62 0.02 . 2 . . . . A 158 ASN HB3 . 34300 1 830 . 1 1 83 83 ASN C C 13 173.69 0.10 . 1 . . . . A 158 ASN C . 34300 1 831 . 1 1 83 83 ASN CA C 13 51.72 0.10 . 1 . . . . A 158 ASN CA . 34300 1 832 . 1 1 83 83 ASN CB C 13 41.70 0.10 . 1 . . . . A 158 ASN CB . 34300 1 833 . 1 1 83 83 ASN N N 15 119.88 0.05 . 1 . . . . A 158 ASN N . 34300 1 834 . 1 1 84 84 SER H H 1 8.15 0.02 . 1 . . . . A 159 SER H . 34300 1 835 . 1 1 84 84 SER HA H 1 4.31 0.02 . 1 . . . . A 159 SER HA . 34300 1 836 . 1 1 84 84 SER HB2 H 1 3.92 0.02 . 2 . . . . A 159 SER HB2 . 34300 1 837 . 1 1 84 84 SER HB3 H 1 3.69 0.02 . 2 . . . . A 159 SER HB3 . 34300 1 838 . 1 1 84 84 SER C C 13 172.50 0.10 . 1 . . . . A 159 SER C . 34300 1 839 . 1 1 84 84 SER CA C 13 58.13 0.10 . 1 . . . . A 159 SER CA . 34300 1 840 . 1 1 84 84 SER CB C 13 64.80 0.10 . 1 . . . . A 159 SER CB . 34300 1 841 . 1 1 84 84 SER N N 15 115.69 0.05 . 1 . . . . A 159 SER N . 34300 1 842 . 1 1 85 85 LEU H H 1 8.36 0.02 . 1 . . . . A 160 LEU H . 34300 1 843 . 1 1 85 85 LEU HA H 1 4.22 0.02 . 1 . . . . A 160 LEU HA . 34300 1 844 . 1 1 85 85 LEU HB2 H 1 1.28 0.02 . 2 . . . . A 160 LEU HB2 . 34300 1 845 . 1 1 85 85 LEU HB3 H 1 1.44 0.02 . 2 . . . . A 160 LEU HB3 . 34300 1 846 . 1 1 85 85 LEU HG H 1 0.87 0.02 . 1 . . . . A 160 LEU HG . 34300 1 847 . 1 1 85 85 LEU HD11 H 1 0.62 0.02 . 2 . . . . A 160 LEU HD11 . 34300 1 848 . 1 1 85 85 LEU HD12 H 1 0.62 0.02 . 2 . . . . A 160 LEU HD12 . 34300 1 849 . 1 1 85 85 LEU HD13 H 1 0.62 0.02 . 2 . . . . A 160 LEU HD13 . 34300 1 850 . 1 1 85 85 LEU HD21 H 1 0.62 0.02 . 2 . . . . A 160 LEU HD21 . 34300 1 851 . 1 1 85 85 LEU HD22 H 1 0.62 0.02 . 2 . . . . A 160 LEU HD22 . 34300 1 852 . 1 1 85 85 LEU HD23 H 1 0.62 0.02 . 2 . . . . A 160 LEU HD23 . 34300 1 853 . 1 1 85 85 LEU C C 13 178.82 0.10 . 1 . . . . A 160 LEU C . 34300 1 854 . 1 1 85 85 LEU CA C 13 54.50 0.10 . 1 . . . . A 160 LEU CA . 34300 1 855 . 1 1 85 85 LEU CB C 13 42.51 0.10 . 1 . . . . A 160 LEU CB . 34300 1 856 . 1 1 85 85 LEU CG C 13 25.37 0.10 . 1 . . . . A 160 LEU CG . 34300 1 857 . 1 1 85 85 LEU CD1 C 13 24.05 0.10 . 2 . . . . A 160 LEU CD1 . 34300 1 858 . 1 1 85 85 LEU CD2 C 13 24.05 0.10 . 2 . . . . A 160 LEU CD2 . 34300 1 859 . 1 1 85 85 LEU N N 15 122.33 0.05 . 1 . . . . A 160 LEU N . 34300 1 860 . 1 1 86 86 PHE H H 1 7.34 0.02 . 1 . . . . A 161 PHE H . 34300 1 861 . 1 1 86 86 PHE HA H 1 4.25 0.02 . 1 . . . . A 161 PHE HA . 34300 1 862 . 1 1 86 86 PHE HB2 H 1 2.62 0.02 . 2 . . . . A 161 PHE HB2 . 34300 1 863 . 1 1 86 86 PHE HB3 H 1 2.32 0.02 . 2 . . . . A 161 PHE HB3 . 34300 1 864 . 1 1 86 86 PHE HD1 H 1 7.04 0.02 . 3 . . . . A 161 PHE HD1 . 34300 1 865 . 1 1 86 86 PHE HD2 H 1 7.04 0.02 . 3 . . . . A 161 PHE HD2 . 34300 1 866 . 1 1 86 86 PHE HZ H 1 7.04 0.02 . 1 . . . . A 161 PHE HZ . 34300 1 867 . 1 1 86 86 PHE C C 13 176.20 0.10 . 1 . . . . A 161 PHE C . 34300 1 868 . 1 1 86 86 PHE CA C 13 60.63 0.10 . 1 . . . . A 161 PHE CA . 34300 1 869 . 1 1 86 86 PHE CB C 13 38.98 0.10 . 1 . . . . A 161 PHE CB . 34300 1 870 . 1 1 86 86 PHE CD1 C 13 132.13 0.10 . 3 . . . . A 161 PHE CD1 . 34300 1 871 . 1 1 86 86 PHE CD2 C 13 132.13 0.10 . 3 . . . . A 161 PHE CD2 . 34300 1 872 . 1 1 86 86 PHE CZ C 13 128.81 0.10 . 1 . . . . A 161 PHE CZ . 34300 1 873 . 1 1 86 86 PHE N N 15 122.22 0.05 . 1 . . . . A 161 PHE N . 34300 1 874 . 1 1 87 87 ASP H H 1 8.60 0.02 . 1 . . . . A 162 ASP H . 34300 1 875 . 1 1 87 87 ASP HA H 1 4.28 0.02 . 1 . . . . A 162 ASP HA . 34300 1 876 . 1 1 87 87 ASP HB2 H 1 2.55 0.02 . 2 . . . . A 162 ASP HB2 . 34300 1 877 . 1 1 87 87 ASP HB3 H 1 2.47 0.02 . 2 . . . . A 162 ASP HB3 . 34300 1 878 . 1 1 87 87 ASP C C 13 176.56 0.10 . 1 . . . . A 162 ASP C . 34300 1 879 . 1 1 87 87 ASP CA C 13 56.04 0.10 . 1 . . . . A 162 ASP CA . 34300 1 880 . 1 1 87 87 ASP CB C 13 40.95 0.10 . 1 . . . . A 162 ASP CB . 34300 1 881 . 1 1 87 87 ASP N N 15 122.05 0.05 . 1 . . . . A 162 ASP N . 34300 1 882 . 1 1 88 88 GLY H H 1 8.43 0.02 . 1 . . . . A 163 GLY H . 34300 1 883 . 1 1 88 88 GLY HA2 H 1 4.16 0.02 . 2 . . . . A 163 GLY HA2 . 34300 1 884 . 1 1 88 88 GLY HA3 H 1 3.58 0.02 . 2 . . . . A 163 GLY HA3 . 34300 1 885 . 1 1 88 88 GLY C C 13 175.46 0.10 . 1 . . . . A 163 GLY C . 34300 1 886 . 1 1 88 88 GLY CA C 13 45.47 0.10 . 1 . . . . A 163 GLY CA . 34300 1 887 . 1 1 88 88 GLY N N 15 110.24 0.05 . 1 . . . . A 163 GLY N . 34300 1 888 . 1 1 89 89 ILE H H 1 7.63 0.02 . 1 . . . . A 164 ILE H . 34300 1 889 . 1 1 89 89 ILE HA H 1 3.79 0.02 . 1 . . . . A 164 ILE HA . 34300 1 890 . 1 1 89 89 ILE HB H 1 2.31 0.02 . 1 . . . . A 164 ILE HB . 34300 1 891 . 1 1 89 89 ILE HG12 H 1 1.94 0.02 . 2 . . . . A 164 ILE HG12 . 34300 1 892 . 1 1 89 89 ILE HG13 H 1 1.48 0.02 . 2 . . . . A 164 ILE HG13 . 34300 1 893 . 1 1 89 89 ILE HG21 H 1 0.92 0.02 . 1 . . . . A 164 ILE HG21 . 34300 1 894 . 1 1 89 89 ILE HG22 H 1 0.92 0.02 . 1 . . . . A 164 ILE HG22 . 34300 1 895 . 1 1 89 89 ILE HG23 H 1 0.92 0.02 . 1 . . . . A 164 ILE HG23 . 34300 1 896 . 1 1 89 89 ILE HD11 H 1 0.81 0.02 . 1 . . . . A 164 ILE HD11 . 34300 1 897 . 1 1 89 89 ILE HD12 H 1 0.81 0.02 . 1 . . . . A 164 ILE HD12 . 34300 1 898 . 1 1 89 89 ILE HD13 H 1 0.81 0.02 . 1 . . . . A 164 ILE HD13 . 34300 1 899 . 1 1 89 89 ILE C C 13 177.02 0.10 . 1 . . . . A 164 ILE C . 34300 1 900 . 1 1 89 89 ILE CA C 13 61.23 0.10 . 1 . . . . A 164 ILE CA . 34300 1 901 . 1 1 89 89 ILE CB C 13 35.45 0.10 . 1 . . . . A 164 ILE CB . 34300 1 902 . 1 1 89 89 ILE CG1 C 13 27.50 0.10 . 1 . . . . A 164 ILE CG1 . 34300 1 903 . 1 1 89 89 ILE CG2 C 13 19.11 0.10 . 1 . . . . A 164 ILE CG2 . 34300 1 904 . 1 1 89 89 ILE CD1 C 13 7.82 0.10 . 1 . . . . A 164 ILE CD1 . 34300 1 905 . 1 1 89 89 ILE N N 15 123.34 0.05 . 1 . . . . A 164 ILE N . 34300 1 906 . 1 1 90 90 GLY H H 1 9.26 0.02 . 1 . . . . A 165 GLY H . 34300 1 907 . 1 1 90 90 GLY HA2 H 1 4.16 0.02 . 2 . . . . A 165 GLY HA2 . 34300 1 908 . 1 1 90 90 GLY HA3 H 1 3.61 0.02 . 2 . . . . A 165 GLY HA3 . 34300 1 909 . 1 1 90 90 GLY CA C 13 48.56 0.10 . 1 . . . . A 165 GLY CA . 34300 1 910 . 1 1 90 90 GLY N N 15 107.12 0.05 . 1 . . . . A 165 GLY N . 34300 1 911 . 1 1 91 91 PRO HA H 1 4.23 0.02 . 1 . . . . A 166 PRO HA . 34300 1 912 . 1 1 91 91 PRO HB2 H 1 2.37 0.02 . 2 . . . . A 166 PRO HB2 . 34300 1 913 . 1 1 91 91 PRO HB3 H 1 2.37 0.02 . 2 . . . . A 166 PRO HB3 . 34300 1 914 . 1 1 91 91 PRO HG2 H 1 1.86 0.02 . 2 . . . . A 166 PRO HG2 . 34300 1 915 . 1 1 91 91 PRO HG3 H 1 1.86 0.02 . 2 . . . . A 166 PRO HG3 . 34300 1 916 . 1 1 91 91 PRO HD2 H 1 3.62 0.02 . 2 . . . . A 166 PRO HD2 . 34300 1 917 . 1 1 91 91 PRO HD3 H 1 3.33 0.02 . 2 . . . . A 166 PRO HD3 . 34300 1 918 . 1 1 91 91 PRO C C 13 177.77 0.10 . 1 . . . . A 166 PRO C . 34300 1 919 . 1 1 91 91 PRO CA C 13 64.71 0.10 . 1 . . . . A 166 PRO CA . 34300 1 920 . 1 1 91 91 PRO CB C 13 31.64 0.10 . 1 . . . . A 166 PRO CB . 34300 1 921 . 1 1 91 91 PRO CG C 13 27.86 0.10 . 1 . . . . A 166 PRO CG . 34300 1 922 . 1 1 91 91 PRO CD C 13 51.20 0.10 . 1 . . . . A 166 PRO CD . 34300 1 923 . 1 1 92 92 LEU H H 1 7.03 0.02 . 1 . . . . A 167 LEU H . 34300 1 924 . 1 1 92 92 LEU HA H 1 3.96 0.02 . 1 . . . . A 167 LEU HA . 34300 1 925 . 1 1 92 92 LEU HB2 H 1 2.22 0.02 . 2 . . . . A 167 LEU HB2 . 34300 1 926 . 1 1 92 92 LEU HB3 H 1 2.22 0.02 . 2 . . . . A 167 LEU HB3 . 34300 1 927 . 1 1 92 92 LEU HG H 1 1.50 0.02 . 1 . . . . A 167 LEU HG . 34300 1 928 . 1 1 92 92 LEU HD11 H 1 0.95 0.02 . 2 . . . . A 167 LEU HD11 . 34300 1 929 . 1 1 92 92 LEU HD12 H 1 0.95 0.02 . 2 . . . . A 167 LEU HD12 . 34300 1 930 . 1 1 92 92 LEU HD13 H 1 0.95 0.02 . 2 . . . . A 167 LEU HD13 . 34300 1 931 . 1 1 92 92 LEU HD21 H 1 0.95 0.02 . 2 . . . . A 167 LEU HD21 . 34300 1 932 . 1 1 92 92 LEU HD22 H 1 0.95 0.02 . 2 . . . . A 167 LEU HD22 . 34300 1 933 . 1 1 92 92 LEU HD23 H 1 0.95 0.02 . 2 . . . . A 167 LEU HD23 . 34300 1 934 . 1 1 92 92 LEU C C 13 177.69 0.10 . 1 . . . . A 167 LEU C . 34300 1 935 . 1 1 92 92 LEU CA C 13 58.77 0.10 . 1 . . . . A 167 LEU CA . 34300 1 936 . 1 1 92 92 LEU CB C 13 41.66 0.10 . 1 . . . . A 167 LEU CB . 34300 1 937 . 1 1 92 92 LEU CG C 13 27.36 0.10 . 1 . . . . A 167 LEU CG . 34300 1 938 . 1 1 92 92 LEU CD1 C 13 27.27 0.10 . 2 . . . . A 167 LEU CD1 . 34300 1 939 . 1 1 92 92 LEU CD2 C 13 27.27 0.10 . 2 . . . . A 167 LEU CD2 . 34300 1 940 . 1 1 92 92 LEU N N 15 116.98 0.05 . 1 . . . . A 167 LEU N . 34300 1 941 . 1 1 93 93 LEU H H 1 8.00 0.02 . 1 . . . . A 168 LEU H . 34300 1 942 . 1 1 93 93 LEU HA H 1 3.68 0.02 . 1 . . . . A 168 LEU HA . 34300 1 943 . 1 1 93 93 LEU HD11 H 1 0.85 0.02 . 2 . . . . A 168 LEU HD11 . 34300 1 944 . 1 1 93 93 LEU HD12 H 1 0.85 0.02 . 2 . . . . A 168 LEU HD12 . 34300 1 945 . 1 1 93 93 LEU HD13 H 1 0.85 0.02 . 2 . . . . A 168 LEU HD13 . 34300 1 946 . 1 1 93 93 LEU HD21 H 1 0.85 0.02 . 2 . . . . A 168 LEU HD21 . 34300 1 947 . 1 1 93 93 LEU HD22 H 1 0.85 0.02 . 2 . . . . A 168 LEU HD22 . 34300 1 948 . 1 1 93 93 LEU HD23 H 1 0.85 0.02 . 2 . . . . A 168 LEU HD23 . 34300 1 949 . 1 1 93 93 LEU C C 13 178.16 0.10 . 1 . . . . A 168 LEU C . 34300 1 950 . 1 1 93 93 LEU CA C 13 57.73 0.10 . 1 . . . . A 168 LEU CA . 34300 1 951 . 1 1 93 93 LEU CB C 13 41.47 0.10 . 1 . . . . A 168 LEU CB . 34300 1 952 . 1 1 93 93 LEU CD1 C 13 28.54 0.10 . 2 . . . . A 168 LEU CD1 . 34300 1 953 . 1 1 93 93 LEU CD2 C 13 28.54 0.10 . 2 . . . . A 168 LEU CD2 . 34300 1 954 . 1 1 93 93 LEU N N 15 116.93 0.05 . 1 . . . . A 168 LEU N . 34300 1 955 . 1 1 94 94 ALA H H 1 7.42 0.02 . 1 . . . . A 169 ALA H . 34300 1 956 . 1 1 94 94 ALA HA H 1 3.59 0.02 . 1 . . . . A 169 ALA HA . 34300 1 957 . 1 1 94 94 ALA HB1 H 1 1.42 0.02 . 1 . . . . A 169 ALA HB1 . 34300 1 958 . 1 1 94 94 ALA HB2 H 1 1.42 0.02 . 1 . . . . A 169 ALA HB2 . 34300 1 959 . 1 1 94 94 ALA HB3 H 1 1.42 0.02 . 1 . . . . A 169 ALA HB3 . 34300 1 960 . 1 1 94 94 ALA C C 13 180.51 0.10 . 1 . . . . A 169 ALA C . 34300 1 961 . 1 1 94 94 ALA CA C 13 55.06 0.10 . 1 . . . . A 169 ALA CA . 34300 1 962 . 1 1 94 94 ALA CB C 13 17.90 0.10 . 1 . . . . A 169 ALA CB . 34300 1 963 . 1 1 94 94 ALA N N 15 118.67 0.05 . 1 . . . . A 169 ALA N . 34300 1 964 . 1 1 95 95 ASP H H 1 8.42 0.02 . 1 . . . . A 170 ASP H . 34300 1 965 . 1 1 95 95 ASP HA H 1 4.39 0.02 . 1 . . . . A 170 ASP HA . 34300 1 966 . 1 1 95 95 ASP HB2 H 1 2.84 0.02 . 2 . . . . A 170 ASP HB2 . 34300 1 967 . 1 1 95 95 ASP HB3 H 1 2.61 0.02 . 2 . . . . A 170 ASP HB3 . 34300 1 968 . 1 1 95 95 ASP C C 13 180.17 0.10 . 1 . . . . A 170 ASP C . 34300 1 969 . 1 1 95 95 ASP CA C 13 57.42 0.10 . 1 . . . . A 170 ASP CA . 34300 1 970 . 1 1 95 95 ASP CB C 13 39.42 0.10 . 1 . . . . A 170 ASP CB . 34300 1 971 . 1 1 95 95 ASP N N 15 119.92 0.05 . 1 . . . . A 170 ASP N . 34300 1 972 . 1 1 96 96 LEU H H 1 8.58 0.02 . 1 . . . . A 171 LEU H . 34300 1 973 . 1 1 96 96 LEU HA H 1 3.98 0.02 . 1 . . . . A 171 LEU HA . 34300 1 974 . 1 1 96 96 LEU HB2 H 1 2.18 0.02 . 2 . . . . A 171 LEU HB2 . 34300 1 975 . 1 1 96 96 LEU HB3 H 1 2.18 0.02 . 2 . . . . A 171 LEU HB3 . 34300 1 976 . 1 1 96 96 LEU HG H 1 1.30 0.02 . 1 . . . . A 171 LEU HG . 34300 1 977 . 1 1 96 96 LEU HD11 H 1 1.02 0.02 . 2 . . . . A 171 LEU HD11 . 34300 1 978 . 1 1 96 96 LEU HD12 H 1 1.02 0.02 . 2 . . . . A 171 LEU HD12 . 34300 1 979 . 1 1 96 96 LEU HD13 H 1 1.02 0.02 . 2 . . . . A 171 LEU HD13 . 34300 1 980 . 1 1 96 96 LEU HD21 H 1 0.90 0.02 . 2 . . . . A 171 LEU HD21 . 34300 1 981 . 1 1 96 96 LEU HD22 H 1 0.90 0.02 . 2 . . . . A 171 LEU HD22 . 34300 1 982 . 1 1 96 96 LEU HD23 H 1 0.90 0.02 . 2 . . . . A 171 LEU HD23 . 34300 1 983 . 1 1 96 96 LEU C C 13 178.48 0.10 . 1 . . . . A 171 LEU C . 34300 1 984 . 1 1 96 96 LEU CA C 13 58.35 0.10 . 1 . . . . A 171 LEU CA . 34300 1 985 . 1 1 96 96 LEU CB C 13 42.22 0.10 . 1 . . . . A 171 LEU CB . 34300 1 986 . 1 1 96 96 LEU CD1 C 13 27.15 0.10 . 2 . . . . A 171 LEU CD1 . 34300 1 987 . 1 1 96 96 LEU CD2 C 13 24.43 0.10 . 2 . . . . A 171 LEU CD2 . 34300 1 988 . 1 1 96 96 LEU N N 15 123.24 0.05 . 1 . . . . A 171 LEU N . 34300 1 989 . 1 1 97 97 ARG H H 1 7.91 0.02 . 1 . . . . A 172 ARG H . 34300 1 990 . 1 1 97 97 ARG HA H 1 4.30 0.02 . 1 . . . . A 172 ARG HA . 34300 1 991 . 1 1 97 97 ARG HB2 H 1 1.94 0.02 . 2 . . . . A 172 ARG HB2 . 34300 1 992 . 1 1 97 97 ARG HB3 H 1 1.94 0.02 . 2 . . . . A 172 ARG HB3 . 34300 1 993 . 1 1 97 97 ARG C C 13 182.01 0.10 . 1 . . . . A 172 ARG C . 34300 1 994 . 1 1 97 97 ARG CA C 13 57.63 0.10 . 1 . . . . A 172 ARG CA . 34300 1 995 . 1 1 97 97 ARG CB C 13 27.56 0.10 . 1 . . . . A 172 ARG CB . 34300 1 996 . 1 1 97 97 ARG N N 15 118.21 0.05 . 1 . . . . A 172 ARG N . 34300 1 997 . 1 1 98 98 THR H H 1 8.82 0.02 . 1 . . . . A 173 THR H . 34300 1 998 . 1 1 98 98 THR HA H 1 3.94 0.02 . 1 . . . . A 173 THR HA . 34300 1 999 . 1 1 98 98 THR HB H 1 4.31 0.02 . 1 . . . . A 173 THR HB . 34300 1 1000 . 1 1 98 98 THR HG21 H 1 1.28 0.02 . 1 . . . . A 173 THR HG21 . 34300 1 1001 . 1 1 98 98 THR HG22 H 1 1.28 0.02 . 1 . . . . A 173 THR HG22 . 34300 1 1002 . 1 1 98 98 THR HG23 H 1 1.28 0.02 . 1 . . . . A 173 THR HG23 . 34300 1 1003 . 1 1 98 98 THR C C 13 175.50 0.10 . 1 . . . . A 173 THR C . 34300 1 1004 . 1 1 98 98 THR CA C 13 66.70 0.10 . 1 . . . . A 173 THR CA . 34300 1 1005 . 1 1 98 98 THR CB C 13 68.40 0.10 . 1 . . . . A 173 THR CB . 34300 1 1006 . 1 1 98 98 THR CG2 C 13 22.36 0.10 . 1 . . . . A 173 THR CG2 . 34300 1 1007 . 1 1 98 98 THR N N 15 121.51 0.05 . 1 . . . . A 173 THR N . 34300 1 1008 . 1 1 99 99 ALA H H 1 7.55 0.02 . 1 . . . . A 174 ALA H . 34300 1 1009 . 1 1 99 99 ALA HA H 1 4.36 0.02 . 1 . . . . A 174 ALA HA . 34300 1 1010 . 1 1 99 99 ALA HB1 H 1 1.56 0.02 . 1 . . . . A 174 ALA HB1 . 34300 1 1011 . 1 1 99 99 ALA HB2 H 1 1.56 0.02 . 1 . . . . A 174 ALA HB2 . 34300 1 1012 . 1 1 99 99 ALA HB3 H 1 1.56 0.02 . 1 . . . . A 174 ALA HB3 . 34300 1 1013 . 1 1 99 99 ALA C C 13 177.35 0.10 . 1 . . . . A 174 ALA C . 34300 1 1014 . 1 1 99 99 ALA CA C 13 52.63 0.10 . 1 . . . . A 174 ALA CA . 34300 1 1015 . 1 1 99 99 ALA CB C 13 18.72 0.10 . 1 . . . . A 174 ALA CB . 34300 1 1016 . 1 1 99 99 ALA N N 15 121.81 0.05 . 1 . . . . A 174 ALA N . 34300 1 1017 . 1 1 100 100 GLY H H 1 8.00 0.02 . 1 . . . . A 175 GLY H . 34300 1 1018 . 1 1 100 100 GLY HA2 H 1 4.20 0.02 . 2 . . . . A 175 GLY HA2 . 34300 1 1019 . 1 1 100 100 GLY HA3 H 1 3.74 0.02 . 2 . . . . A 175 GLY HA3 . 34300 1 1020 . 1 1 100 100 GLY C C 13 174.37 0.10 . 1 . . . . A 175 GLY C . 34300 1 1021 . 1 1 100 100 GLY CA C 13 45.43 0.10 . 1 . . . . A 175 GLY CA . 34300 1 1022 . 1 1 100 100 GLY N N 15 107.39 0.05 . 1 . . . . A 175 GLY N . 34300 1 1023 . 1 1 101 101 VAL H H 1 8.11 0.02 . 1 . . . . A 176 VAL H . 34300 1 1024 . 1 1 101 101 VAL HA H 1 3.64 0.02 . 1 . . . . A 176 VAL HA . 34300 1 1025 . 1 1 101 101 VAL HB H 1 1.80 0.02 . 1 . . . . A 176 VAL HB . 34300 1 1026 . 1 1 101 101 VAL HG11 H 1 0.83 0.02 . 2 . . . . A 176 VAL HG11 . 34300 1 1027 . 1 1 101 101 VAL HG12 H 1 0.83 0.02 . 2 . . . . A 176 VAL HG12 . 34300 1 1028 . 1 1 101 101 VAL HG13 H 1 0.83 0.02 . 2 . . . . A 176 VAL HG13 . 34300 1 1029 . 1 1 101 101 VAL HG21 H 1 0.99 0.02 . 2 . . . . A 176 VAL HG21 . 34300 1 1030 . 1 1 101 101 VAL HG22 H 1 0.99 0.02 . 2 . . . . A 176 VAL HG22 . 34300 1 1031 . 1 1 101 101 VAL HG23 H 1 0.99 0.02 . 2 . . . . A 176 VAL HG23 . 34300 1 1032 . 1 1 101 101 VAL C C 13 176.05 0.10 . 1 . . . . A 176 VAL C . 34300 1 1033 . 1 1 101 101 VAL CA C 13 63.52 0.10 . 1 . . . . A 176 VAL CA . 34300 1 1034 . 1 1 101 101 VAL CB C 13 32.18 0.10 . 1 . . . . A 176 VAL CB . 34300 1 1035 . 1 1 101 101 VAL CG1 C 13 21.79 0.10 . 2 . . . . A 176 VAL CG1 . 34300 1 1036 . 1 1 101 101 VAL CG2 C 13 22.01 0.10 . 2 . . . . A 176 VAL CG2 . 34300 1 1037 . 1 1 101 101 VAL N N 15 124.11 0.05 . 1 . . . . A 176 VAL N . 34300 1 1038 . 1 1 102 102 ARG H H 1 7.74 0.02 . 1 . . . . A 177 ARG H . 34300 1 1039 . 1 1 102 102 ARG HA H 1 4.36 0.02 . 1 . . . . A 177 ARG HA . 34300 1 1040 . 1 1 102 102 ARG HB2 H 1 2.06 0.02 . 2 . . . . A 177 ARG HB2 . 34300 1 1041 . 1 1 102 102 ARG HB3 H 1 2.06 0.02 . 2 . . . . A 177 ARG HB3 . 34300 1 1042 . 1 1 102 102 ARG C C 13 175.07 0.10 . 1 . . . . A 177 ARG C . 34300 1 1043 . 1 1 102 102 ARG CA C 13 56.70 0.10 . 1 . . . . A 177 ARG CA . 34300 1 1044 . 1 1 102 102 ARG CB C 13 33.75 0.10 . 1 . . . . A 177 ARG CB . 34300 1 1045 . 1 1 102 102 ARG N N 15 128.50 0.05 . 1 . . . . A 177 ARG N . 34300 1 1046 . 1 1 103 103 LEU H H 1 9.36 0.02 . 1 . . . . A 178 LEU H . 34300 1 1047 . 1 1 103 103 LEU HA H 1 5.89 0.02 . 1 . . . . A 178 LEU HA . 34300 1 1048 . 1 1 103 103 LEU HB2 H 1 2.13 0.02 . 2 . . . . A 178 LEU HB2 . 34300 1 1049 . 1 1 103 103 LEU HB3 H 1 2.13 0.02 . 2 . . . . A 178 LEU HB3 . 34300 1 1050 . 1 1 103 103 LEU HD11 H 1 0.75 0.02 . 2 . . . . A 178 LEU HD11 . 34300 1 1051 . 1 1 103 103 LEU HD12 H 1 0.75 0.02 . 2 . . . . A 178 LEU HD12 . 34300 1 1052 . 1 1 103 103 LEU HD13 H 1 0.75 0.02 . 2 . . . . A 178 LEU HD13 . 34300 1 1053 . 1 1 103 103 LEU HD21 H 1 0.75 0.02 . 2 . . . . A 178 LEU HD21 . 34300 1 1054 . 1 1 103 103 LEU HD22 H 1 0.75 0.02 . 2 . . . . A 178 LEU HD22 . 34300 1 1055 . 1 1 103 103 LEU HD23 H 1 0.75 0.02 . 2 . . . . A 178 LEU HD23 . 34300 1 1056 . 1 1 103 103 LEU C C 13 176.30 0.10 . 1 . . . . A 178 LEU C . 34300 1 1057 . 1 1 103 103 LEU CA C 13 53.34 0.10 . 1 . . . . A 178 LEU CA . 34300 1 1058 . 1 1 103 103 LEU CB C 13 46.41 0.10 . 1 . . . . A 178 LEU CB . 34300 1 1059 . 1 1 103 103 LEU CD1 C 13 26.41 0.10 . 2 . . . . A 178 LEU CD1 . 34300 1 1060 . 1 1 103 103 LEU CD2 C 13 26.41 0.10 . 2 . . . . A 178 LEU CD2 . 34300 1 1061 . 1 1 103 103 LEU N N 15 121.33 0.05 . 1 . . . . A 178 LEU N . 34300 1 1062 . 1 1 104 104 ALA H H 1 9.06 0.02 . 1 . . . . A 179 ALA H . 34300 1 1063 . 1 1 104 104 ALA HA H 1 5.69 0.02 . 1 . . . . A 179 ALA HA . 34300 1 1064 . 1 1 104 104 ALA HB1 H 1 1.39 0.02 . 1 . . . . A 179 ALA HB1 . 34300 1 1065 . 1 1 104 104 ALA HB2 H 1 1.39 0.02 . 1 . . . . A 179 ALA HB2 . 34300 1 1066 . 1 1 104 104 ALA HB3 H 1 1.39 0.02 . 1 . . . . A 179 ALA HB3 . 34300 1 1067 . 1 1 104 104 ALA C C 13 175.10 0.10 . 1 . . . . A 179 ALA C . 34300 1 1068 . 1 1 104 104 ALA CA C 13 50.30 0.10 . 1 . . . . A 179 ALA CA . 34300 1 1069 . 1 1 104 104 ALA CB C 13 24.74 0.10 . 1 . . . . A 179 ALA CB . 34300 1 1070 . 1 1 104 104 ALA N N 15 121.95 0.05 . 1 . . . . A 179 ALA N . 34300 1 1071 . 1 1 105 105 VAL H H 1 8.18 0.02 . 1 . . . . A 180 VAL H . 34300 1 1072 . 1 1 105 105 VAL HA H 1 5.36 0.02 . 1 . . . . A 180 VAL HA . 34300 1 1073 . 1 1 105 105 VAL HB H 1 1.38 0.02 . 1 . . . . A 180 VAL HB . 34300 1 1074 . 1 1 105 105 VAL HG11 H 1 0.00 0.02 . 2 . . . . A 180 VAL HG11 . 34300 1 1075 . 1 1 105 105 VAL HG12 H 1 0.00 0.02 . 2 . . . . A 180 VAL HG12 . 34300 1 1076 . 1 1 105 105 VAL HG13 H 1 0.00 0.02 . 2 . . . . A 180 VAL HG13 . 34300 1 1077 . 1 1 105 105 VAL HG21 H 1 0.68 0.02 . 2 . . . . A 180 VAL HG21 . 34300 1 1078 . 1 1 105 105 VAL HG22 H 1 0.68 0.02 . 2 . . . . A 180 VAL HG22 . 34300 1 1079 . 1 1 105 105 VAL HG23 H 1 0.68 0.02 . 2 . . . . A 180 VAL HG23 . 34300 1 1080 . 1 1 105 105 VAL C C 13 173.88 0.10 . 1 . . . . A 180 VAL C . 34300 1 1081 . 1 1 105 105 VAL CA C 13 59.98 0.10 . 1 . . . . A 180 VAL CA . 34300 1 1082 . 1 1 105 105 VAL CB C 13 35.97 0.10 . 1 . . . . A 180 VAL CB . 34300 1 1083 . 1 1 105 105 VAL CG1 C 13 21.43 0.10 . 2 . . . . A 180 VAL CG1 . 34300 1 1084 . 1 1 105 105 VAL CG2 C 13 21.72 0.10 . 2 . . . . A 180 VAL CG2 . 34300 1 1085 . 1 1 105 105 VAL N N 15 120.17 0.05 . 1 . . . . A 180 VAL N . 34300 1 1086 . 1 1 106 106 ALA H H 1 8.36 0.02 . 1 . . . . A 181 ALA H . 34300 1 1087 . 1 1 106 106 ALA HA H 1 5.32 0.02 . 1 . . . . A 181 ALA HA . 34300 1 1088 . 1 1 106 106 ALA HB1 H 1 0.96 0.02 . 1 . . . . A 181 ALA HB1 . 34300 1 1089 . 1 1 106 106 ALA HB2 H 1 0.96 0.02 . 1 . . . . A 181 ALA HB2 . 34300 1 1090 . 1 1 106 106 ALA HB3 H 1 0.96 0.02 . 1 . . . . A 181 ALA HB3 . 34300 1 1091 . 1 1 106 106 ALA CA C 13 50.26 0.10 . 1 . . . . A 181 ALA CA . 34300 1 1092 . 1 1 106 106 ALA CB C 13 21.02 0.10 . 1 . . . . A 181 ALA CB . 34300 1 1093 . 1 1 106 106 ALA N N 15 127.98 0.05 . 1 . . . . A 181 ALA N . 34300 1 1094 . 1 1 107 107 THR H H 1 8.83 0.02 . 1 . . . . A 182 THR H . 34300 1 1095 . 1 1 107 107 THR HA H 1 5.16 0.02 . 1 . . . . A 182 THR HA . 34300 1 1096 . 1 1 107 107 THR HB H 1 3.96 0.02 . 1 . . . . A 182 THR HB . 34300 1 1097 . 1 1 107 107 THR CA C 13 58.53 0.10 . 1 . . . . A 182 THR CA . 34300 1 1098 . 1 1 107 107 THR CB C 13 70.25 0.10 . 1 . . . . A 182 THR CB . 34300 1 1099 . 1 1 107 107 THR N N 15 116.92 0.05 . 1 . . . . A 182 THR N . 34300 1 1100 . 1 1 109 109 LYS CA C 13 56.60 0.10 . 1 . . . . A 184 LYS CA . 34300 1 1101 . 1 1 109 109 LYS CB C 13 34.39 0.10 . 1 . . . . A 184 LYS CB . 34300 1 1102 . 1 1 110 110 ALA H H 1 8.59 0.02 . 1 . . . . A 185 ALA H . 34300 1 1103 . 1 1 110 110 ALA HA H 1 4.34 0.02 . 1 . . . . A 185 ALA HA . 34300 1 1104 . 1 1 110 110 ALA HB1 H 1 1.55 0.02 . 1 . . . . A 185 ALA HB1 . 34300 1 1105 . 1 1 110 110 ALA HB2 H 1 1.55 0.02 . 1 . . . . A 185 ALA HB2 . 34300 1 1106 . 1 1 110 110 ALA HB3 H 1 1.55 0.02 . 1 . . . . A 185 ALA HB3 . 34300 1 1107 . 1 1 110 110 ALA C C 13 179.49 0.10 . 1 . . . . A 185 ALA C . 34300 1 1108 . 1 1 110 110 ALA CA C 13 52.80 0.10 . 1 . . . . A 185 ALA CA . 34300 1 1109 . 1 1 110 110 ALA CB C 13 19.29 0.10 . 1 . . . . A 185 ALA CB . 34300 1 1110 . 1 1 110 110 ALA N N 15 124.33 0.05 . 1 . . . . A 185 ALA N . 34300 1 1111 . 1 1 111 111 GLU H H 1 9.14 0.02 . 1 . . . . A 186 GLU H . 34300 1 1112 . 1 1 111 111 GLU HA H 1 3.76 0.02 . 1 . . . . A 186 GLU HA . 34300 1 1113 . 1 1 111 111 GLU HB2 H 1 2.21 0.02 . 2 . . . . A 186 GLU HB2 . 34300 1 1114 . 1 1 111 111 GLU HB3 H 1 2.21 0.02 . 2 . . . . A 186 GLU HB3 . 34300 1 1115 . 1 1 111 111 GLU CA C 13 62.30 0.10 . 1 . . . . A 186 GLU CA . 34300 1 1116 . 1 1 111 111 GLU CB C 13 27.88 0.10 . 1 . . . . A 186 GLU CB . 34300 1 1117 . 1 1 111 111 GLU N N 15 124.32 0.05 . 1 . . . . A 186 GLU N . 34300 1 1118 . 1 1 112 112 PRO HA H 1 4.28 0.02 . 1 . . . . A 187 PRO HA . 34300 1 1119 . 1 1 112 112 PRO HB2 H 1 2.34 0.02 . 2 . . . . A 187 PRO HB2 . 34300 1 1120 . 1 1 112 112 PRO HB3 H 1 1.88 0.02 . 2 . . . . A 187 PRO HB3 . 34300 1 1121 . 1 1 112 112 PRO HG2 H 1 2.08 0.02 . 2 . . . . A 187 PRO HG2 . 34300 1 1122 . 1 1 112 112 PRO HG3 H 1 2.04 0.02 . 2 . . . . A 187 PRO HG3 . 34300 1 1123 . 1 1 112 112 PRO HD2 H 1 3.92 0.02 . 2 . . . . A 187 PRO HD2 . 34300 1 1124 . 1 1 112 112 PRO HD3 H 1 3.71 0.02 . 2 . . . . A 187 PRO HD3 . 34300 1 1125 . 1 1 112 112 PRO CA C 13 66.11 0.10 . 1 . . . . A 187 PRO CA . 34300 1 1126 . 1 1 112 112 PRO CB C 13 30.70 0.10 . 1 . . . . A 187 PRO CB . 34300 1 1127 . 1 1 112 112 PRO CG C 13 28.65 0.10 . 1 . . . . A 187 PRO CG . 34300 1 1128 . 1 1 112 112 PRO CD C 13 50.27 0.10 . 1 . . . . A 187 PRO CD . 34300 1 1129 . 1 1 114 114 ALA HA H 1 3.83 0.02 . 1 . . . . A 189 ALA HA . 34300 1 1130 . 1 1 114 114 ALA HB1 H 1 1.26 0.02 . 1 . . . . A 189 ALA HB1 . 34300 1 1131 . 1 1 114 114 ALA HB2 H 1 1.26 0.02 . 1 . . . . A 189 ALA HB2 . 34300 1 1132 . 1 1 114 114 ALA HB3 H 1 1.26 0.02 . 1 . . . . A 189 ALA HB3 . 34300 1 1133 . 1 1 114 114 ALA CA C 13 55.65 0.10 . 1 . . . . A 189 ALA CA . 34300 1 1134 . 1 1 114 114 ALA CB C 13 18.78 0.10 . 1 . . . . A 189 ALA CB . 34300 1 1135 . 1 1 115 115 ARG H H 1 8.53 0.02 . 1 . . . . A 190 ARG H . 34300 1 1136 . 1 1 115 115 ARG HA H 1 3.71 0.02 . 1 . . . . A 190 ARG HA . 34300 1 1137 . 1 1 115 115 ARG HB2 H 1 1.69 0.02 . 2 . . . . A 190 ARG HB2 . 34300 1 1138 . 1 1 115 115 ARG HB3 H 1 1.69 0.02 . 2 . . . . A 190 ARG HB3 . 34300 1 1139 . 1 1 115 115 ARG C C 13 177.18 0.10 . 1 . . . . A 190 ARG C . 34300 1 1140 . 1 1 115 115 ARG CA C 13 61.57 0.10 . 1 . . . . A 190 ARG CA . 34300 1 1141 . 1 1 115 115 ARG CB C 13 29.79 0.10 . 1 . . . . A 190 ARG CB . 34300 1 1142 . 1 1 115 115 ARG CG C 13 30.71 0.10 . 1 . . . . A 190 ARG CG . 34300 1 1143 . 1 1 115 115 ARG N N 15 115.46 0.05 . 1 . . . . A 190 ARG N . 34300 1 1144 . 1 1 116 116 ARG H H 1 7.62 0.02 . 1 . . . . A 191 ARG H . 34300 1 1145 . 1 1 116 116 ARG HA H 1 3.72 0.02 . 1 . . . . A 191 ARG HA . 34300 1 1146 . 1 1 116 116 ARG CA C 13 59.81 0.10 . 1 . . . . A 191 ARG CA . 34300 1 1147 . 1 1 116 116 ARG N N 15 119.38 0.05 . 1 . . . . A 191 ARG N . 34300 1 1148 . 1 1 117 117 ILE H H 1 7.93 0.02 . 1 . . . . A 192 ILE H . 34300 1 1149 . 1 1 117 117 ILE HA H 1 3.63 0.02 . 1 . . . . A 192 ILE HA . 34300 1 1150 . 1 1 117 117 ILE HB H 1 2.10 0.02 . 1 . . . . A 192 ILE HB . 34300 1 1151 . 1 1 117 117 ILE C C 13 176.97 0.10 . 1 . . . . A 192 ILE C . 34300 1 1152 . 1 1 117 117 ILE CA C 13 66.17 0.10 . 1 . . . . A 192 ILE CA . 34300 1 1153 . 1 1 117 117 ILE CB C 13 39.64 0.10 . 1 . . . . A 192 ILE CB . 34300 1 1154 . 1 1 117 117 ILE N N 15 120.57 0.05 . 1 . . . . A 192 ILE N . 34300 1 1155 . 1 1 118 118 LEU H H 1 8.27 0.02 . 1 . . . . A 193 LEU H . 34300 1 1156 . 1 1 118 118 LEU HA H 1 4.07 0.02 . 1 . . . . A 193 LEU HA . 34300 1 1157 . 1 1 118 118 LEU C C 13 179.12 0.10 . 1 . . . . A 193 LEU C . 34300 1 1158 . 1 1 118 118 LEU CA C 13 58.05 0.10 . 1 . . . . A 193 LEU CA . 34300 1 1159 . 1 1 118 118 LEU CB C 13 41.37 0.10 . 1 . . . . A 193 LEU CB . 34300 1 1160 . 1 1 118 118 LEU N N 15 117.80 0.05 . 1 . . . . A 193 LEU N . 34300 1 1161 . 1 1 119 119 ARG H H 1 8.90 0.02 . 1 . . . . A 194 ARG H . 34300 1 1162 . 1 1 119 119 ARG HA H 1 4.25 0.02 . 1 . . . . A 194 ARG HA . 34300 1 1163 . 1 1 119 119 ARG HB2 H 1 1.86 0.02 . 2 . . . . A 194 ARG HB2 . 34300 1 1164 . 1 1 119 119 ARG HB3 H 1 1.86 0.02 . 2 . . . . A 194 ARG HB3 . 34300 1 1165 . 1 1 119 119 ARG C C 13 180.17 0.10 . 1 . . . . A 194 ARG C . 34300 1 1166 . 1 1 119 119 ARG CA C 13 59.45 0.10 . 1 . . . . A 194 ARG CA . 34300 1 1167 . 1 1 119 119 ARG CB C 13 30.50 0.10 . 1 . . . . A 194 ARG CB . 34300 1 1168 . 1 1 119 119 ARG CG C 13 27.17 0.10 . 1 . . . . A 194 ARG CG . 34300 1 1169 . 1 1 119 119 ARG N N 15 121.29 0.05 . 1 . . . . A 194 ARG N . 34300 1 1170 . 1 1 120 120 HIS H H 1 8.33 0.02 . 1 . . . . A 195 HIS H . 34300 1 1171 . 1 1 120 120 HIS HA H 1 4.67 0.02 . 1 . . . . A 195 HIS HA . 34300 1 1172 . 1 1 120 120 HIS HB2 H 1 3.24 0.02 . 2 . . . . A 195 HIS HB2 . 34300 1 1173 . 1 1 120 120 HIS HB3 H 1 3.24 0.02 . 2 . . . . A 195 HIS HB3 . 34300 1 1174 . 1 1 120 120 HIS C C 13 177.45 0.10 . 1 . . . . A 195 HIS C . 34300 1 1175 . 1 1 120 120 HIS CA C 13 59.84 0.10 . 1 . . . . A 195 HIS CA . 34300 1 1176 . 1 1 120 120 HIS CB C 13 31.36 0.10 . 1 . . . . A 195 HIS CB . 34300 1 1177 . 1 1 120 120 HIS N N 15 123.29 0.05 . 1 . . . . A 195 HIS N . 34300 1 1178 . 1 1 121 121 PHE H H 1 7.58 0.02 . 1 . . . . A 196 PHE H . 34300 1 1179 . 1 1 121 121 PHE HA H 1 4.70 0.02 . 1 . . . . A 196 PHE HA . 34300 1 1180 . 1 1 121 121 PHE HB2 H 1 2.62 0.02 . 2 . . . . A 196 PHE HB2 . 34300 1 1181 . 1 1 121 121 PHE HB3 H 1 3.71 0.02 . 2 . . . . A 196 PHE HB3 . 34300 1 1182 . 1 1 121 121 PHE HD1 H 1 7.37 0.02 . 3 . . . . A 196 PHE HD1 . 34300 1 1183 . 1 1 121 121 PHE HD2 H 1 7.37 0.02 . 3 . . . . A 196 PHE HD2 . 34300 1 1184 . 1 1 121 121 PHE HE1 H 1 7.32 0.02 . 3 . . . . A 196 PHE HE1 . 34300 1 1185 . 1 1 121 121 PHE HE2 H 1 7.32 0.02 . 3 . . . . A 196 PHE HE2 . 34300 1 1186 . 1 1 121 121 PHE HZ H 1 6.90 0.02 . 1 . . . . A 196 PHE HZ . 34300 1 1187 . 1 1 121 121 PHE C C 13 175.35 0.10 . 1 . . . . A 196 PHE C . 34300 1 1188 . 1 1 121 121 PHE CA C 13 58.26 0.10 . 1 . . . . A 196 PHE CA . 34300 1 1189 . 1 1 121 121 PHE CB C 13 39.82 0.10 . 1 . . . . A 196 PHE CB . 34300 1 1190 . 1 1 121 121 PHE CD1 C 13 131.93 0.10 . 3 . . . . A 196 PHE CD1 . 34300 1 1191 . 1 1 121 121 PHE CD2 C 13 131.93 0.10 . 3 . . . . A 196 PHE CD2 . 34300 1 1192 . 1 1 121 121 PHE CE1 C 13 130.96 0.10 . 3 . . . . A 196 PHE CE1 . 34300 1 1193 . 1 1 121 121 PHE CE2 C 13 130.96 0.10 . 3 . . . . A 196 PHE CE2 . 34300 1 1194 . 1 1 121 121 PHE CZ C 13 128.78 0.10 . 1 . . . . A 196 PHE CZ . 34300 1 1195 . 1 1 121 121 PHE N N 15 112.52 0.05 . 1 . . . . A 196 PHE N . 34300 1 1196 . 1 1 122 122 GLY H H 1 8.01 0.02 . 1 . . . . A 197 GLY H . 34300 1 1197 . 1 1 122 122 GLY HA2 H 1 4.11 0.02 . 2 . . . . A 197 GLY HA2 . 34300 1 1198 . 1 1 122 122 GLY HA3 H 1 4.05 0.02 . 2 . . . . A 197 GLY HA3 . 34300 1 1199 . 1 1 122 122 GLY C C 13 175.50 0.10 . 1 . . . . A 197 GLY C . 34300 1 1200 . 1 1 122 122 GLY CA C 13 47.22 0.10 . 1 . . . . A 197 GLY CA . 34300 1 1201 . 1 1 122 122 GLY N N 15 108.44 0.05 . 1 . . . . A 197 GLY N . 34300 1 1202 . 1 1 123 123 ILE H H 1 8.07 0.02 . 1 . . . . A 198 ILE H . 34300 1 1203 . 1 1 123 123 ILE HA H 1 4.65 0.02 . 1 . . . . A 198 ILE HA . 34300 1 1204 . 1 1 123 123 ILE HB H 1 2.40 0.02 . 1 . . . . A 198 ILE HB . 34300 1 1205 . 1 1 123 123 ILE HG12 H 1 1.49 0.02 . 2 . . . . A 198 ILE HG12 . 34300 1 1206 . 1 1 123 123 ILE HG13 H 1 1.13 0.02 . 2 . . . . A 198 ILE HG13 . 34300 1 1207 . 1 1 123 123 ILE HG21 H 1 1.03 0.02 . 1 . . . . A 198 ILE HG21 . 34300 1 1208 . 1 1 123 123 ILE HG22 H 1 1.03 0.02 . 1 . . . . A 198 ILE HG22 . 34300 1 1209 . 1 1 123 123 ILE HG23 H 1 1.03 0.02 . 1 . . . . A 198 ILE HG23 . 34300 1 1210 . 1 1 123 123 ILE HD11 H 1 0.88 0.02 . 1 . . . . A 198 ILE HD11 . 34300 1 1211 . 1 1 123 123 ILE HD12 H 1 0.88 0.02 . 1 . . . . A 198 ILE HD12 . 34300 1 1212 . 1 1 123 123 ILE HD13 H 1 0.88 0.02 . 1 . . . . A 198 ILE HD13 . 34300 1 1213 . 1 1 123 123 ILE C C 13 175.55 0.10 . 1 . . . . A 198 ILE C . 34300 1 1214 . 1 1 123 123 ILE CA C 13 60.62 0.10 . 1 . . . . A 198 ILE CA . 34300 1 1215 . 1 1 123 123 ILE CB C 13 40.13 0.10 . 1 . . . . A 198 ILE CB . 34300 1 1216 . 1 1 123 123 ILE CG1 C 13 27.68 0.10 . 1 . . . . A 198 ILE CG1 . 34300 1 1217 . 1 1 123 123 ILE CG2 C 13 17.42 0.10 . 1 . . . . A 198 ILE CG2 . 34300 1 1218 . 1 1 123 123 ILE CD1 C 13 15.12 0.10 . 1 . . . . A 198 ILE CD1 . 34300 1 1219 . 1 1 123 123 ILE N N 15 106.86 0.05 . 1 . . . . A 198 ILE N . 34300 1 1220 . 1 1 124 124 GLU H H 1 7.32 0.02 . 1 . . . . A 199 GLU H . 34300 1 1221 . 1 1 124 124 GLU HA H 1 3.75 0.02 . 1 . . . . A 199 GLU HA . 34300 1 1222 . 1 1 124 124 GLU HB2 H 1 2.22 0.02 . 2 . . . . A 199 GLU HB2 . 34300 1 1223 . 1 1 124 124 GLU HB3 H 1 2.22 0.02 . 2 . . . . A 199 GLU HB3 . 34300 1 1224 . 1 1 124 124 GLU HG2 H 1 2.14 0.02 . 2 . . . . A 199 GLU HG2 . 34300 1 1225 . 1 1 124 124 GLU HG3 H 1 2.14 0.02 . 2 . . . . A 199 GLU HG3 . 34300 1 1226 . 1 1 124 124 GLU C C 13 177.45 0.10 . 1 . . . . A 199 GLU C . 34300 1 1227 . 1 1 124 124 GLU CA C 13 60.44 0.10 . 1 . . . . A 199 GLU CA . 34300 1 1228 . 1 1 124 124 GLU CB C 13 29.87 0.10 . 1 . . . . A 199 GLU CB . 34300 1 1229 . 1 1 124 124 GLU CG C 13 35.24 0.10 . 1 . . . . A 199 GLU CG . 34300 1 1230 . 1 1 124 124 GLU N N 15 124.55 0.05 . 1 . . . . A 199 GLU N . 34300 1 1231 . 1 1 125 125 GLN H H 1 9.05 0.02 . 1 . . . . A 200 GLN H . 34300 1 1232 . 1 1 125 125 GLN HA H 1 4.17 0.02 . 1 . . . . A 200 GLN HA . 34300 1 1233 . 1 1 125 125 GLN HB2 H 1 2.03 0.02 . 2 . . . . A 200 GLN HB2 . 34300 1 1234 . 1 1 125 125 GLN HB3 H 1 1.95 0.02 . 2 . . . . A 200 GLN HB3 . 34300 1 1235 . 1 1 125 125 GLN HG2 H 1 2.02 0.02 . 2 . . . . A 200 GLN HG2 . 34300 1 1236 . 1 1 125 125 GLN HG3 H 1 2.02 0.02 . 2 . . . . A 200 GLN HG3 . 34300 1 1237 . 1 1 125 125 GLN C C 13 176.05 0.10 . 1 . . . . A 200 GLN C . 34300 1 1238 . 1 1 125 125 GLN CA C 13 57.02 0.10 . 1 . . . . A 200 GLN CA . 34300 1 1239 . 1 1 125 125 GLN CB C 13 26.83 0.10 . 1 . . . . A 200 GLN CB . 34300 1 1240 . 1 1 125 125 GLN CG C 13 31.85 0.10 . 1 . . . . A 200 GLN CG . 34300 1 1241 . 1 1 125 125 GLN N N 15 114.15 0.05 . 1 . . . . A 200 GLN N . 34300 1 1242 . 1 1 126 126 HIS H H 1 7.09 0.02 . 1 . . . . A 201 HIS H . 34300 1 1243 . 1 1 126 126 HIS HA H 1 4.54 0.02 . 1 . . . . A 201 HIS HA . 34300 1 1244 . 1 1 126 126 HIS C C 13 174.79 0.10 . 1 . . . . A 201 HIS C . 34300 1 1245 . 1 1 126 126 HIS CA C 13 56.46 0.10 . 1 . . . . A 201 HIS CA . 34300 1 1246 . 1 1 126 126 HIS CB C 13 30.78 0.10 . 1 . . . . A 201 HIS CB . 34300 1 1247 . 1 1 126 126 HIS N N 15 118.02 0.05 . 1 . . . . A 201 HIS N . 34300 1 1248 . 1 1 127 127 PHE H H 1 7.30 0.02 . 1 . . . . A 202 PHE H . 34300 1 1249 . 1 1 127 127 PHE HA H 1 4.51 0.02 . 1 . . . . A 202 PHE HA . 34300 1 1250 . 1 1 127 127 PHE HB2 H 1 2.93 0.02 . 2 . . . . A 202 PHE HB2 . 34300 1 1251 . 1 1 127 127 PHE HB3 H 1 2.79 0.02 . 2 . . . . A 202 PHE HB3 . 34300 1 1252 . 1 1 127 127 PHE HD1 H 1 7.15 0.02 . 3 . . . . A 202 PHE HD1 . 34300 1 1253 . 1 1 127 127 PHE HD2 H 1 7.15 0.02 . 3 . . . . A 202 PHE HD2 . 34300 1 1254 . 1 1 127 127 PHE HE1 H 1 7.08 0.02 . 3 . . . . A 202 PHE HE1 . 34300 1 1255 . 1 1 127 127 PHE HE2 H 1 7.08 0.02 . 3 . . . . A 202 PHE HE2 . 34300 1 1256 . 1 1 127 127 PHE HZ H 1 6.81 0.02 . 1 . . . . A 202 PHE HZ . 34300 1 1257 . 1 1 127 127 PHE C C 13 175.14 0.10 . 1 . . . . A 202 PHE C . 34300 1 1258 . 1 1 127 127 PHE CA C 13 57.96 0.10 . 1 . . . . A 202 PHE CA . 34300 1 1259 . 1 1 127 127 PHE CB C 13 40.72 0.10 . 1 . . . . A 202 PHE CB . 34300 1 1260 . 1 1 127 127 PHE CD1 C 13 132.91 0.10 . 3 . . . . A 202 PHE CD1 . 34300 1 1261 . 1 1 127 127 PHE CD2 C 13 132.91 0.10 . 3 . . . . A 202 PHE CD2 . 34300 1 1262 . 1 1 127 127 PHE CE1 C 13 131.08 0.10 . 3 . . . . A 202 PHE CE1 . 34300 1 1263 . 1 1 127 127 PHE CE2 C 13 131.08 0.10 . 3 . . . . A 202 PHE CE2 . 34300 1 1264 . 1 1 127 127 PHE CZ C 13 129.65 0.10 . 1 . . . . A 202 PHE CZ . 34300 1 1265 . 1 1 127 127 PHE N N 15 114.06 0.05 . 1 . . . . A 202 PHE N . 34300 1 1266 . 1 1 128 128 GLU H H 1 9.23 0.02 . 1 . . . . A 203 GLU H . 34300 1 1267 . 1 1 128 128 GLU HA H 1 4.23 0.02 . 1 . . . . A 203 GLU HA . 34300 1 1268 . 1 1 128 128 GLU HB2 H 1 2.45 0.02 . 2 . . . . A 203 GLU HB2 . 34300 1 1269 . 1 1 128 128 GLU HB3 H 1 2.03 0.02 . 2 . . . . A 203 GLU HB3 . 34300 1 1270 . 1 1 128 128 GLU HG2 H 1 2.46 0.02 . 2 . . . . A 203 GLU HG2 . 34300 1 1271 . 1 1 128 128 GLU HG3 H 1 2.33 0.02 . 2 . . . . A 203 GLU HG3 . 34300 1 1272 . 1 1 128 128 GLU C C 13 176.98 0.10 . 1 . . . . A 203 GLU C . 34300 1 1273 . 1 1 128 128 GLU CA C 13 58.72 0.10 . 1 . . . . A 203 GLU CA . 34300 1 1274 . 1 1 128 128 GLU CB C 13 31.30 0.10 . 1 . . . . A 203 GLU CB . 34300 1 1275 . 1 1 128 128 GLU CG C 13 36.46 0.10 . 1 . . . . A 203 GLU CG . 34300 1 1276 . 1 1 128 128 GLU N N 15 126.07 0.05 . 1 . . . . A 203 GLU N . 34300 1 1277 . 1 1 129 129 VAL H H 1 7.02 0.02 . 1 . . . . A 204 VAL H . 34300 1 1278 . 1 1 129 129 VAL HA H 1 4.35 0.02 . 1 . . . . A 204 VAL HA . 34300 1 1279 . 1 1 129 129 VAL HB H 1 1.67 0.02 . 1 . . . . A 204 VAL HB . 34300 1 1280 . 1 1 129 129 VAL HG11 H 1 0.86 0.02 . 2 . . . . A 204 VAL HG11 . 34300 1 1281 . 1 1 129 129 VAL HG12 H 1 0.86 0.02 . 2 . . . . A 204 VAL HG12 . 34300 1 1282 . 1 1 129 129 VAL HG13 H 1 0.86 0.02 . 2 . . . . A 204 VAL HG13 . 34300 1 1283 . 1 1 129 129 VAL HG21 H 1 0.90 0.02 . 2 . . . . A 204 VAL HG21 . 34300 1 1284 . 1 1 129 129 VAL HG22 H 1 0.90 0.02 . 2 . . . . A 204 VAL HG22 . 34300 1 1285 . 1 1 129 129 VAL HG23 H 1 0.90 0.02 . 2 . . . . A 204 VAL HG23 . 34300 1 1286 . 1 1 129 129 VAL C C 13 174.09 0.10 . 1 . . . . A 204 VAL C . 34300 1 1287 . 1 1 129 129 VAL CA C 13 60.66 0.10 . 1 . . . . A 204 VAL CA . 34300 1 1288 . 1 1 129 129 VAL CB C 13 38.36 0.10 . 1 . . . . A 204 VAL CB . 34300 1 1289 . 1 1 129 129 VAL CG1 C 13 20.84 0.10 . 2 . . . . A 204 VAL CG1 . 34300 1 1290 . 1 1 129 129 VAL CG2 C 13 23.31 0.10 . 2 . . . . A 204 VAL CG2 . 34300 1 1291 . 1 1 129 129 VAL N N 15 114.62 0.05 . 1 . . . . A 204 VAL N . 34300 1 1292 . 1 1 130 130 ILE H H 1 8.66 0.02 . 1 . . . . A 205 ILE H . 34300 1 1293 . 1 1 130 130 ILE HA H 1 4.13 0.02 . 1 . . . . A 205 ILE HA . 34300 1 1294 . 1 1 130 130 ILE HB H 1 1.64 0.02 . 1 . . . . A 205 ILE HB . 34300 1 1295 . 1 1 130 130 ILE HG12 H 1 1.48 0.02 . 2 . . . . A 205 ILE HG12 . 34300 1 1296 . 1 1 130 130 ILE HG13 H 1 1.48 0.02 . 2 . . . . A 205 ILE HG13 . 34300 1 1297 . 1 1 130 130 ILE HG21 H 1 0.50 0.02 . 1 . . . . A 205 ILE HG21 . 34300 1 1298 . 1 1 130 130 ILE HG22 H 1 0.50 0.02 . 1 . . . . A 205 ILE HG22 . 34300 1 1299 . 1 1 130 130 ILE HG23 H 1 0.50 0.02 . 1 . . . . A 205 ILE HG23 . 34300 1 1300 . 1 1 130 130 ILE HD11 H 1 0.94 0.02 . 1 . . . . A 205 ILE HD11 . 34300 1 1301 . 1 1 130 130 ILE HD12 H 1 0.94 0.02 . 1 . . . . A 205 ILE HD12 . 34300 1 1302 . 1 1 130 130 ILE HD13 H 1 0.94 0.02 . 1 . . . . A 205 ILE HD13 . 34300 1 1303 . 1 1 130 130 ILE C C 13 172.48 0.10 . 1 . . . . A 205 ILE C . 34300 1 1304 . 1 1 130 130 ILE CA C 13 61.25 0.10 . 1 . . . . A 205 ILE CA . 34300 1 1305 . 1 1 130 130 ILE CB C 13 39.30 0.10 . 1 . . . . A 205 ILE CB . 34300 1 1306 . 1 1 130 130 ILE CG1 C 13 27.60 0.10 . 1 . . . . A 205 ILE CG1 . 34300 1 1307 . 1 1 130 130 ILE CG2 C 13 16.67 0.10 . 1 . . . . A 205 ILE CG2 . 34300 1 1308 . 1 1 130 130 ILE CD1 C 13 15.64 0.10 . 1 . . . . A 205 ILE CD1 . 34300 1 1309 . 1 1 130 130 ILE N N 15 128.51 0.05 . 1 . . . . A 205 ILE N . 34300 1 1310 . 1 1 131 131 ALA H H 1 8.86 0.02 . 1 . . . . A 206 ALA H . 34300 1 1311 . 1 1 131 131 ALA HA H 1 4.89 0.02 . 1 . . . . A 206 ALA HA . 34300 1 1312 . 1 1 131 131 ALA HB1 H 1 1.32 0.02 . 1 . . . . A 206 ALA HB1 . 34300 1 1313 . 1 1 131 131 ALA HB2 H 1 1.32 0.02 . 1 . . . . A 206 ALA HB2 . 34300 1 1314 . 1 1 131 131 ALA HB3 H 1 1.32 0.02 . 1 . . . . A 206 ALA HB3 . 34300 1 1315 . 1 1 131 131 ALA C C 13 174.71 0.10 . 1 . . . . A 206 ALA C . 34300 1 1316 . 1 1 131 131 ALA CA C 13 50.17 0.10 . 1 . . . . A 206 ALA CA . 34300 1 1317 . 1 1 131 131 ALA CB C 13 21.42 0.10 . 1 . . . . A 206 ALA CB . 34300 1 1318 . 1 1 131 131 ALA N N 15 131.21 0.05 . 1 . . . . A 206 ALA N . 34300 1 1319 . 1 1 132 132 GLY H H 1 9.36 0.02 . 1 . . . . A 207 GLY H . 34300 1 1320 . 1 1 132 132 GLY HA2 H 1 3.76 0.02 . 2 . . . . A 207 GLY HA2 . 34300 1 1321 . 1 1 132 132 GLY HA3 H 1 3.76 0.02 . 2 . . . . A 207 GLY HA3 . 34300 1 1322 . 1 1 132 132 GLY C C 13 174.28 0.10 . 1 . . . . A 207 GLY C . 34300 1 1323 . 1 1 132 132 GLY CA C 13 44.00 0.10 . 1 . . . . A 207 GLY CA . 34300 1 1324 . 1 1 132 132 GLY N N 15 110.68 0.05 . 1 . . . . A 207 GLY N . 34300 1 1325 . 1 1 133 133 ALA H H 1 7.94 0.02 . 1 . . . . A 208 ALA H . 34300 1 1326 . 1 1 133 133 ALA HA H 1 4.40 0.02 . 1 . . . . A 208 ALA HA . 34300 1 1327 . 1 1 133 133 ALA HB1 H 1 1.38 0.02 . 1 . . . . A 208 ALA HB1 . 34300 1 1328 . 1 1 133 133 ALA HB2 H 1 1.38 0.02 . 1 . . . . A 208 ALA HB2 . 34300 1 1329 . 1 1 133 133 ALA HB3 H 1 1.38 0.02 . 1 . . . . A 208 ALA HB3 . 34300 1 1330 . 1 1 133 133 ALA C C 13 178.60 0.10 . 1 . . . . A 208 ALA C . 34300 1 1331 . 1 1 133 133 ALA CA C 13 51.79 0.10 . 1 . . . . A 208 ALA CA . 34300 1 1332 . 1 1 133 133 ALA CB C 13 20.18 0.10 . 1 . . . . A 208 ALA CB . 34300 1 1333 . 1 1 133 133 ALA N N 15 122.52 0.05 . 1 . . . . A 208 ALA N . 34300 1 1334 . 1 1 134 134 SER H H 1 8.45 0.02 . 1 . . . . A 209 SER H . 34300 1 1335 . 1 1 134 134 SER HA H 1 4.70 0.02 . 1 . . . . A 209 SER HA . 34300 1 1336 . 1 1 134 134 SER CA C 13 57.81 0.10 . 1 . . . . A 209 SER CA . 34300 1 1337 . 1 1 134 134 SER CB C 13 64.27 0.10 . 1 . . . . A 209 SER CB . 34300 1 1338 . 1 1 134 134 SER N N 15 114.87 0.05 . 1 . . . . A 209 SER N . 34300 1 1339 . 1 1 137 137 GLY HA2 H 1 3.94 0.02 . 2 . . . . A 212 GLY HA2 . 34300 1 1340 . 1 1 137 137 GLY HA3 H 1 3.66 0.02 . 2 . . . . A 212 GLY HA3 . 34300 1 1341 . 1 1 137 137 GLY C C 13 174.45 0.10 . 1 . . . . A 212 GLY C . 34300 1 1342 . 1 1 137 137 GLY CA C 13 45.33 0.10 . 1 . . . . A 212 GLY CA . 34300 1 1343 . 1 1 138 138 SER H H 1 8.12 0.02 . 1 . . . . A 213 SER H . 34300 1 1344 . 1 1 138 138 SER HA H 1 4.20 0.02 . 1 . . . . A 213 SER HA . 34300 1 1345 . 1 1 138 138 SER HB2 H 1 3.90 0.02 . 2 . . . . A 213 SER HB2 . 34300 1 1346 . 1 1 138 138 SER HB3 H 1 3.83 0.02 . 2 . . . . A 213 SER HB3 . 34300 1 1347 . 1 1 138 138 SER CA C 13 59.91 0.10 . 1 . . . . A 213 SER CA . 34300 1 1348 . 1 1 138 138 SER CB C 13 63.55 0.10 . 1 . . . . A 213 SER CB . 34300 1 1349 . 1 1 138 138 SER N N 15 116.52 0.05 . 1 . . . . A 213 SER N . 34300 1 1350 . 1 1 145 145 VAL H H 1 8.77 0.02 . 1 . . . . A 220 VAL H . 34300 1 1351 . 1 1 145 145 VAL HA H 1 3.72 0.02 . 1 . . . . A 220 VAL HA . 34300 1 1352 . 1 1 145 145 VAL HB H 1 1.87 0.02 . 1 . . . . A 220 VAL HB . 34300 1 1353 . 1 1 145 145 VAL HG11 H 1 0.92 0.02 . 2 . . . . A 220 VAL HG11 . 34300 1 1354 . 1 1 145 145 VAL HG12 H 1 0.92 0.02 . 2 . . . . A 220 VAL HG12 . 34300 1 1355 . 1 1 145 145 VAL HG13 H 1 0.92 0.02 . 2 . . . . A 220 VAL HG13 . 34300 1 1356 . 1 1 145 145 VAL HG21 H 1 0.92 0.02 . 2 . . . . A 220 VAL HG21 . 34300 1 1357 . 1 1 145 145 VAL HG22 H 1 0.92 0.02 . 2 . . . . A 220 VAL HG22 . 34300 1 1358 . 1 1 145 145 VAL HG23 H 1 0.92 0.02 . 2 . . . . A 220 VAL HG23 . 34300 1 1359 . 1 1 145 145 VAL C C 13 178.65 0.10 . 1 . . . . A 220 VAL C . 34300 1 1360 . 1 1 145 145 VAL CA C 13 67.04 0.10 . 1 . . . . A 220 VAL CA . 34300 1 1361 . 1 1 145 145 VAL CB C 13 31.72 0.10 . 1 . . . . A 220 VAL CB . 34300 1 1362 . 1 1 145 145 VAL CG1 C 13 21.74 0.10 . 2 . . . . A 220 VAL CG1 . 34300 1 1363 . 1 1 145 145 VAL CG2 C 13 21.74 0.10 . 2 . . . . A 220 VAL CG2 . 34300 1 1364 . 1 1 145 145 VAL N N 15 123.11 0.05 . 1 . . . . A 220 VAL N . 34300 1 1365 . 1 1 146 146 LEU H H 1 8.47 0.02 . 1 . . . . A 221 LEU H . 34300 1 1366 . 1 1 146 146 LEU HA H 1 3.83 0.02 . 1 . . . . A 221 LEU HA . 34300 1 1367 . 1 1 146 146 LEU HB2 H 1 1.82 0.02 . 2 . . . . A 221 LEU HB2 . 34300 1 1368 . 1 1 146 146 LEU HB3 H 1 1.82 0.02 . 2 . . . . A 221 LEU HB3 . 34300 1 1369 . 1 1 146 146 LEU HG H 1 0.95 0.02 . 1 . . . . A 221 LEU HG . 34300 1 1370 . 1 1 146 146 LEU HD11 H 1 0.76 0.02 . 2 . . . . A 221 LEU HD11 . 34300 1 1371 . 1 1 146 146 LEU HD12 H 1 0.76 0.02 . 2 . . . . A 221 LEU HD12 . 34300 1 1372 . 1 1 146 146 LEU HD13 H 1 0.76 0.02 . 2 . . . . A 221 LEU HD13 . 34300 1 1373 . 1 1 146 146 LEU HD21 H 1 0.76 0.02 . 2 . . . . A 221 LEU HD21 . 34300 1 1374 . 1 1 146 146 LEU HD22 H 1 0.76 0.02 . 2 . . . . A 221 LEU HD22 . 34300 1 1375 . 1 1 146 146 LEU HD23 H 1 0.76 0.02 . 2 . . . . A 221 LEU HD23 . 34300 1 1376 . 1 1 146 146 LEU C C 13 178.08 0.10 . 1 . . . . A 221 LEU C . 34300 1 1377 . 1 1 146 146 LEU CA C 13 57.98 0.10 . 1 . . . . A 221 LEU CA . 34300 1 1378 . 1 1 146 146 LEU CB C 13 41.91 0.10 . 1 . . . . A 221 LEU CB . 34300 1 1379 . 1 1 146 146 LEU CG C 13 25.88 0.10 . 1 . . . . A 221 LEU CG . 34300 1 1380 . 1 1 146 146 LEU CD1 C 13 24.91 0.10 . 2 . . . . A 221 LEU CD1 . 34300 1 1381 . 1 1 146 146 LEU CD2 C 13 24.91 0.10 . 2 . . . . A 221 LEU CD2 . 34300 1 1382 . 1 1 146 146 LEU N N 15 120.09 0.05 . 1 . . . . A 221 LEU N . 34300 1 1383 . 1 1 147 147 ALA H H 1 7.70 0.02 . 1 . . . . A 222 ALA H . 34300 1 1384 . 1 1 147 147 ALA HA H 1 3.68 0.02 . 1 . . . . A 222 ALA HA . 34300 1 1385 . 1 1 147 147 ALA HB1 H 1 1.72 0.02 . 1 . . . . A 222 ALA HB1 . 34300 1 1386 . 1 1 147 147 ALA HB2 H 1 1.72 0.02 . 1 . . . . A 222 ALA HB2 . 34300 1 1387 . 1 1 147 147 ALA HB3 H 1 1.72 0.02 . 1 . . . . A 222 ALA HB3 . 34300 1 1388 . 1 1 147 147 ALA C C 13 180.19 0.10 . 1 . . . . A 222 ALA C . 34300 1 1389 . 1 1 147 147 ALA CA C 13 55.61 0.10 . 1 . . . . A 222 ALA CA . 34300 1 1390 . 1 1 147 147 ALA CB C 13 18.24 0.10 . 1 . . . . A 222 ALA CB . 34300 1 1391 . 1 1 147 147 ALA N N 15 120.26 0.05 . 1 . . . . A 222 ALA N . 34300 1 1392 . 1 1 148 148 HIS H H 1 7.63 0.02 . 1 . . . . A 223 HIS H . 34300 1 1393 . 1 1 148 148 HIS HA H 1 4.60 0.02 . 1 . . . . A 223 HIS HA . 34300 1 1394 . 1 1 148 148 HIS HB2 H 1 3.42 0.02 . 2 . . . . A 223 HIS HB2 . 34300 1 1395 . 1 1 148 148 HIS HB3 H 1 3.16 0.02 . 2 . . . . A 223 HIS HB3 . 34300 1 1396 . 1 1 148 148 HIS C C 13 177.76 0.10 . 1 . . . . A 223 HIS C . 34300 1 1397 . 1 1 148 148 HIS CA C 13 58.55 0.10 . 1 . . . . A 223 HIS CA . 34300 1 1398 . 1 1 148 148 HIS CB C 13 31.63 0.10 . 1 . . . . A 223 HIS CB . 34300 1 1399 . 1 1 148 148 HIS N N 15 119.23 0.05 . 1 . . . . A 223 HIS N . 34300 1 1400 . 1 1 149 149 ALA H H 1 8.40 0.02 . 1 . . . . A 224 ALA H . 34300 1 1401 . 1 1 149 149 ALA HA H 1 3.72 0.02 . 1 . . . . A 224 ALA HA . 34300 1 1402 . 1 1 149 149 ALA HB1 H 1 1.26 0.02 . 1 . . . . A 224 ALA HB1 . 34300 1 1403 . 1 1 149 149 ALA HB2 H 1 1.26 0.02 . 1 . . . . A 224 ALA HB2 . 34300 1 1404 . 1 1 149 149 ALA HB3 H 1 1.26 0.02 . 1 . . . . A 224 ALA HB3 . 34300 1 1405 . 1 1 149 149 ALA C C 13 179.17 0.10 . 1 . . . . A 224 ALA C . 34300 1 1406 . 1 1 149 149 ALA CA C 13 55.38 0.10 . 1 . . . . A 224 ALA CA . 34300 1 1407 . 1 1 149 149 ALA CB C 13 16.91 0.10 . 1 . . . . A 224 ALA CB . 34300 1 1408 . 1 1 149 149 ALA N N 15 121.51 0.05 . 1 . . . . A 224 ALA N . 34300 1 1409 . 1 1 150 150 LEU H H 1 8.75 0.02 . 1 . . . . A 225 LEU H . 34300 1 1410 . 1 1 150 150 LEU HA H 1 3.73 0.02 . 1 . . . . A 225 LEU HA . 34300 1 1411 . 1 1 150 150 LEU HB2 H 1 1.69 0.02 . 2 . . . . A 225 LEU HB2 . 34300 1 1412 . 1 1 150 150 LEU HB3 H 1 1.28 0.02 . 2 . . . . A 225 LEU HB3 . 34300 1 1413 . 1 1 150 150 LEU HD11 H 1 0.40 0.02 . 2 . . . . A 225 LEU HD11 . 34300 1 1414 . 1 1 150 150 LEU HD12 H 1 0.40 0.02 . 2 . . . . A 225 LEU HD12 . 34300 1 1415 . 1 1 150 150 LEU HD13 H 1 0.40 0.02 . 2 . . . . A 225 LEU HD13 . 34300 1 1416 . 1 1 150 150 LEU HD21 H 1 0.60 0.02 . 2 . . . . A 225 LEU HD21 . 34300 1 1417 . 1 1 150 150 LEU HD22 H 1 0.60 0.02 . 2 . . . . A 225 LEU HD22 . 34300 1 1418 . 1 1 150 150 LEU HD23 H 1 0.60 0.02 . 2 . . . . A 225 LEU HD23 . 34300 1 1419 . 1 1 150 150 LEU C C 13 179.30 0.10 . 1 . . . . A 225 LEU C . 34300 1 1420 . 1 1 150 150 LEU CA C 13 58.20 0.10 . 1 . . . . A 225 LEU CA . 34300 1 1421 . 1 1 150 150 LEU CB C 13 41.01 0.10 . 1 . . . . A 225 LEU CB . 34300 1 1422 . 1 1 150 150 LEU CD1 C 13 25.27 0.10 . 2 . . . . A 225 LEU CD1 . 34300 1 1423 . 1 1 150 150 LEU CD2 C 13 22.45 0.10 . 2 . . . . A 225 LEU CD2 . 34300 1 1424 . 1 1 150 150 LEU N N 15 115.62 0.05 . 1 . . . . A 225 LEU N . 34300 1 1425 . 1 1 151 151 ALA H H 1 7.71 0.02 . 1 . . . . A 226 ALA H . 34300 1 1426 . 1 1 151 151 ALA HA H 1 4.06 0.02 . 1 . . . . A 226 ALA HA . 34300 1 1427 . 1 1 151 151 ALA HB1 H 1 1.55 0.02 . 1 . . . . A 226 ALA HB1 . 34300 1 1428 . 1 1 151 151 ALA HB2 H 1 1.55 0.02 . 1 . . . . A 226 ALA HB2 . 34300 1 1429 . 1 1 151 151 ALA HB3 H 1 1.55 0.02 . 1 . . . . A 226 ALA HB3 . 34300 1 1430 . 1 1 151 151 ALA C C 13 180.24 0.10 . 1 . . . . A 226 ALA C . 34300 1 1431 . 1 1 151 151 ALA CA C 13 54.99 0.10 . 1 . . . . A 226 ALA CA . 34300 1 1432 . 1 1 151 151 ALA CB C 13 18.17 0.10 . 1 . . . . A 226 ALA CB . 34300 1 1433 . 1 1 151 151 ALA N N 15 119.19 0.05 . 1 . . . . A 226 ALA N . 34300 1 1434 . 1 1 152 152 GLN H H 1 7.30 0.02 . 1 . . . . A 227 GLN H . 34300 1 1435 . 1 1 152 152 GLN HA H 1 4.20 0.02 . 1 . . . . A 227 GLN HA . 34300 1 1436 . 1 1 152 152 GLN HB2 H 1 2.37 0.02 . 2 . . . . A 227 GLN HB2 . 34300 1 1437 . 1 1 152 152 GLN HB3 H 1 2.02 0.02 . 2 . . . . A 227 GLN HB3 . 34300 1 1438 . 1 1 152 152 GLN HG2 H 1 2.39 0.02 . 2 . . . . A 227 GLN HG2 . 34300 1 1439 . 1 1 152 152 GLN HG3 H 1 2.14 0.02 . 2 . . . . A 227 GLN HG3 . 34300 1 1440 . 1 1 152 152 GLN C C 13 176.80 0.10 . 1 . . . . A 227 GLN C . 34300 1 1441 . 1 1 152 152 GLN CA C 13 57.05 0.10 . 1 . . . . A 227 GLN CA . 34300 1 1442 . 1 1 152 152 GLN CB C 13 31.62 0.10 . 1 . . . . A 227 GLN CB . 34300 1 1443 . 1 1 152 152 GLN CG C 13 34.94 0.10 . 1 . . . . A 227 GLN CG . 34300 1 1444 . 1 1 152 152 GLN N N 15 114.72 0.05 . 1 . . . . A 227 GLN N . 34300 1 1445 . 1 1 153 153 LEU H H 1 7.56 0.02 . 1 . . . . A 228 LEU H . 34300 1 1446 . 1 1 153 153 LEU HA H 1 4.10 0.02 . 1 . . . . A 228 LEU HA . 34300 1 1447 . 1 1 153 153 LEU HB2 H 1 1.61 0.02 . 2 . . . . A 228 LEU HB2 . 34300 1 1448 . 1 1 153 153 LEU HB3 H 1 1.41 0.02 . 2 . . . . A 228 LEU HB3 . 34300 1 1449 . 1 1 153 153 LEU HG H 1 0.78 0.02 . 1 . . . . A 228 LEU HG . 34300 1 1450 . 1 1 153 153 LEU HD11 H 1 0.55 0.02 . 2 . . . . A 228 LEU HD11 . 34300 1 1451 . 1 1 153 153 LEU HD12 H 1 0.55 0.02 . 2 . . . . A 228 LEU HD12 . 34300 1 1452 . 1 1 153 153 LEU HD13 H 1 0.55 0.02 . 2 . . . . A 228 LEU HD13 . 34300 1 1453 . 1 1 153 153 LEU HD21 H 1 0.55 0.02 . 2 . . . . A 228 LEU HD21 . 34300 1 1454 . 1 1 153 153 LEU HD22 H 1 0.55 0.02 . 2 . . . . A 228 LEU HD22 . 34300 1 1455 . 1 1 153 153 LEU HD23 H 1 0.55 0.02 . 2 . . . . A 228 LEU HD23 . 34300 1 1456 . 1 1 153 153 LEU C C 13 175.60 0.10 . 1 . . . . A 228 LEU C . 34300 1 1457 . 1 1 153 153 LEU CA C 13 54.63 0.10 . 1 . . . . A 228 LEU CA . 34300 1 1458 . 1 1 153 153 LEU CB C 13 44.16 0.10 . 1 . . . . A 228 LEU CB . 34300 1 1459 . 1 1 153 153 LEU CG C 13 27.02 0.10 . 1 . . . . A 228 LEU CG . 34300 1 1460 . 1 1 153 153 LEU CD1 C 13 25.79 0.10 . 2 . . . . A 228 LEU CD1 . 34300 1 1461 . 1 1 153 153 LEU CD2 C 13 25.79 0.10 . 2 . . . . A 228 LEU CD2 . 34300 1 1462 . 1 1 153 153 LEU N N 15 119.65 0.05 . 1 . . . . A 228 LEU N . 34300 1 1463 . 1 1 154 154 ARG H H 1 7.08 0.02 . 1 . . . . A 229 ARG H . 34300 1 1464 . 1 1 154 154 ARG HA H 1 4.03 0.02 . 1 . . . . A 229 ARG HA . 34300 1 1465 . 1 1 154 154 ARG HB2 H 1 1.76 0.02 . 2 . . . . A 229 ARG HB2 . 34300 1 1466 . 1 1 154 154 ARG HB3 H 1 1.76 0.02 . 2 . . . . A 229 ARG HB3 . 34300 1 1467 . 1 1 154 154 ARG HG2 H 1 1.67 0.02 . 2 . . . . A 229 ARG HG2 . 34300 1 1468 . 1 1 154 154 ARG HG3 H 1 2.03 0.02 . 2 . . . . A 229 ARG HG3 . 34300 1 1469 . 1 1 154 154 ARG HD2 H 1 3.23 0.02 . 2 . . . . A 229 ARG HD2 . 34300 1 1470 . 1 1 154 154 ARG HD3 H 1 3.23 0.02 . 2 . . . . A 229 ARG HD3 . 34300 1 1471 . 1 1 154 154 ARG CA C 13 55.95 0.10 . 1 . . . . A 229 ARG CA . 34300 1 1472 . 1 1 154 154 ARG CB C 13 29.58 0.10 . 1 . . . . A 229 ARG CB . 34300 1 1473 . 1 1 154 154 ARG CG C 13 27.88 0.10 . 1 . . . . A 229 ARG CG . 34300 1 1474 . 1 1 154 154 ARG CD C 13 43.62 0.10 . 1 . . . . A 229 ARG CD . 34300 1 1475 . 1 1 154 154 ARG N N 15 118.98 0.05 . 1 . . . . A 229 ARG N . 34300 1 1476 . 1 1 155 155 PRO HA H 1 4.51 0.02 . 1 . . . . A 230 PRO HA . 34300 1 1477 . 1 1 155 155 PRO HB2 H 1 2.36 0.02 . 2 . . . . A 230 PRO HB2 . 34300 1 1478 . 1 1 155 155 PRO HB3 H 1 2.05 0.02 . 2 . . . . A 230 PRO HB3 . 34300 1 1479 . 1 1 155 155 PRO HG2 H 1 2.06 0.02 . 2 . . . . A 230 PRO HG2 . 34300 1 1480 . 1 1 155 155 PRO HG3 H 1 1.93 0.02 . 2 . . . . A 230 PRO HG3 . 34300 1 1481 . 1 1 155 155 PRO HD2 H 1 3.63 0.02 . 2 . . . . A 230 PRO HD2 . 34300 1 1482 . 1 1 155 155 PRO HD3 H 1 3.54 0.02 . 2 . . . . A 230 PRO HD3 . 34300 1 1483 . 1 1 155 155 PRO CA C 13 62.10 0.10 . 1 . . . . A 230 PRO CA . 34300 1 1484 . 1 1 155 155 PRO CB C 13 34.02 0.10 . 1 . . . . A 230 PRO CB . 34300 1 1485 . 1 1 155 155 PRO CG C 13 25.01 0.10 . 1 . . . . A 230 PRO CG . 34300 1 1486 . 1 1 155 155 PRO CD C 13 50.77 0.10 . 1 . . . . A 230 PRO CD . 34300 1 1487 . 1 1 156 156 LEU H H 1 8.90 0.02 . 1 . . . . A 231 LEU H . 34300 1 1488 . 1 1 156 156 LEU HA H 1 4.36 0.02 . 1 . . . . A 231 LEU HA . 34300 1 1489 . 1 1 156 156 LEU HB2 H 1 1.75 0.02 . 2 . . . . A 231 LEU HB2 . 34300 1 1490 . 1 1 156 156 LEU HB3 H 1 1.43 0.02 . 2 . . . . A 231 LEU HB3 . 34300 1 1491 . 1 1 156 156 LEU HD11 H 1 0.94 0.02 . 2 . . . . A 231 LEU HD11 . 34300 1 1492 . 1 1 156 156 LEU HD12 H 1 0.94 0.02 . 2 . . . . A 231 LEU HD12 . 34300 1 1493 . 1 1 156 156 LEU HD13 H 1 0.94 0.02 . 2 . . . . A 231 LEU HD13 . 34300 1 1494 . 1 1 156 156 LEU HD21 H 1 0.73 0.02 . 2 . . . . A 231 LEU HD21 . 34300 1 1495 . 1 1 156 156 LEU HD22 H 1 0.73 0.02 . 2 . . . . A 231 LEU HD22 . 34300 1 1496 . 1 1 156 156 LEU HD23 H 1 0.73 0.02 . 2 . . . . A 231 LEU HD23 . 34300 1 1497 . 1 1 156 156 LEU CA C 13 52.52 0.10 . 1 . . . . A 231 LEU CA . 34300 1 1498 . 1 1 156 156 LEU CB C 13 41.01 0.10 . 1 . . . . A 231 LEU CB . 34300 1 1499 . 1 1 156 156 LEU CD1 C 13 25.88 0.10 . 2 . . . . A 231 LEU CD1 . 34300 1 1500 . 1 1 156 156 LEU CD2 C 13 23.21 0.10 . 2 . . . . A 231 LEU CD2 . 34300 1 1501 . 1 1 156 156 LEU N N 15 125.84 0.05 . 1 . . . . A 231 LEU N . 34300 1 1502 . 1 1 157 157 PRO HA H 1 4.78 0.02 . 1 . . . . A 232 PRO HA . 34300 1 1503 . 1 1 157 157 PRO HB2 H 1 2.24 0.02 . 2 . . . . A 232 PRO HB2 . 34300 1 1504 . 1 1 157 157 PRO HB3 H 1 2.24 0.02 . 2 . . . . A 232 PRO HB3 . 34300 1 1505 . 1 1 157 157 PRO C C 13 174.00 0.10 . 1 . . . . A 232 PRO C . 34300 1 1506 . 1 1 157 157 PRO CA C 13 62.00 0.10 . 1 . . . . A 232 PRO CA . 34300 1 1507 . 1 1 157 157 PRO CB C 13 31.06 0.10 . 1 . . . . A 232 PRO CB . 34300 1 1508 . 1 1 158 158 GLU H H 1 8.17 0.02 . 1 . . . . A 233 GLU H . 34300 1 1509 . 1 1 158 158 GLU HA H 1 4.01 0.02 . 1 . . . . A 233 GLU HA . 34300 1 1510 . 1 1 158 158 GLU HB2 H 1 2.11 0.02 . 2 . . . . A 233 GLU HB2 . 34300 1 1511 . 1 1 158 158 GLU HB3 H 1 2.08 0.02 . 2 . . . . A 233 GLU HB3 . 34300 1 1512 . 1 1 158 158 GLU HG2 H 1 2.37 0.02 . 2 . . . . A 233 GLU HG2 . 34300 1 1513 . 1 1 158 158 GLU HG3 H 1 2.29 0.02 . 2 . . . . A 233 GLU HG3 . 34300 1 1514 . 1 1 158 158 GLU C C 13 177.86 0.10 . 1 . . . . A 233 GLU C . 34300 1 1515 . 1 1 158 158 GLU CA C 13 59.35 0.10 . 1 . . . . A 233 GLU CA . 34300 1 1516 . 1 1 158 158 GLU CB C 13 30.74 0.10 . 1 . . . . A 233 GLU CB . 34300 1 1517 . 1 1 158 158 GLU CG C 13 37.02 0.10 . 1 . . . . A 233 GLU CG . 34300 1 1518 . 1 1 158 158 GLU N N 15 116.85 0.05 . 1 . . . . A 233 GLU N . 34300 1 1519 . 1 1 159 159 ARG H H 1 8.29 0.02 . 1 . . . . A 234 ARG H . 34300 1 1520 . 1 1 159 159 ARG HA H 1 4.76 0.02 . 1 . . . . A 234 ARG HA . 34300 1 1521 . 1 1 159 159 ARG HB2 H 1 1.91 0.02 . 2 . . . . A 234 ARG HB2 . 34300 1 1522 . 1 1 159 159 ARG HB3 H 1 1.91 0.02 . 2 . . . . A 234 ARG HB3 . 34300 1 1523 . 1 1 159 159 ARG HG2 H 1 1.57 0.02 . 2 . . . . A 234 ARG HG2 . 34300 1 1524 . 1 1 159 159 ARG HG3 H 1 1.40 0.02 . 2 . . . . A 234 ARG HG3 . 34300 1 1525 . 1 1 159 159 ARG C C 13 174.34 0.10 . 1 . . . . A 234 ARG C . 34300 1 1526 . 1 1 159 159 ARG CA C 13 55.54 0.10 . 1 . . . . A 234 ARG CA . 34300 1 1527 . 1 1 159 159 ARG CB C 13 31.10 0.10 . 1 . . . . A 234 ARG CB . 34300 1 1528 . 1 1 159 159 ARG CG C 13 26.84 0.10 . 1 . . . . A 234 ARG CG . 34300 1 1529 . 1 1 159 159 ARG N N 15 116.32 0.05 . 1 . . . . A 234 ARG N . 34300 1 1530 . 1 1 160 160 LEU H H 1 8.53 0.02 . 1 . . . . A 235 LEU H . 34300 1 1531 . 1 1 160 160 LEU HA H 1 5.60 0.02 . 1 . . . . A 235 LEU HA . 34300 1 1532 . 1 1 160 160 LEU HB2 H 1 1.64 0.02 . 2 . . . . A 235 LEU HB2 . 34300 1 1533 . 1 1 160 160 LEU HB3 H 1 1.43 0.02 . 2 . . . . A 235 LEU HB3 . 34300 1 1534 . 1 1 160 160 LEU HG H 1 1.64 0.02 . 1 . . . . A 235 LEU HG . 34300 1 1535 . 1 1 160 160 LEU HD11 H 1 0.78 0.02 . 2 . . . . A 235 LEU HD11 . 34300 1 1536 . 1 1 160 160 LEU HD12 H 1 0.78 0.02 . 2 . . . . A 235 LEU HD12 . 34300 1 1537 . 1 1 160 160 LEU HD13 H 1 0.78 0.02 . 2 . . . . A 235 LEU HD13 . 34300 1 1538 . 1 1 160 160 LEU HD21 H 1 0.86 0.02 . 2 . . . . A 235 LEU HD21 . 34300 1 1539 . 1 1 160 160 LEU HD22 H 1 0.86 0.02 . 2 . . . . A 235 LEU HD22 . 34300 1 1540 . 1 1 160 160 LEU HD23 H 1 0.86 0.02 . 2 . . . . A 235 LEU HD23 . 34300 1 1541 . 1 1 160 160 LEU C C 13 175.25 0.10 . 1 . . . . A 235 LEU C . 34300 1 1542 . 1 1 160 160 LEU CA C 13 54.40 0.10 . 1 . . . . A 235 LEU CA . 34300 1 1543 . 1 1 160 160 LEU CB C 13 45.84 0.10 . 1 . . . . A 235 LEU CB . 34300 1 1544 . 1 1 160 160 LEU CG C 13 28.45 0.10 . 1 . . . . A 235 LEU CG . 34300 1 1545 . 1 1 160 160 LEU CD1 C 13 27.01 0.10 . 2 . . . . A 235 LEU CD1 . 34300 1 1546 . 1 1 160 160 LEU CD2 C 13 26.59 0.10 . 2 . . . . A 235 LEU CD2 . 34300 1 1547 . 1 1 160 160 LEU N N 15 126.84 0.05 . 1 . . . . A 235 LEU N . 34300 1 1548 . 1 1 161 161 VAL H H 1 7.89 0.02 . 1 . . . . A 236 VAL H . 34300 1 1549 . 1 1 161 161 VAL HA H 1 4.51 0.02 . 1 . . . . A 236 VAL HA . 34300 1 1550 . 1 1 161 161 VAL HB H 1 1.86 0.02 . 1 . . . . A 236 VAL HB . 34300 1 1551 . 1 1 161 161 VAL HG11 H 1 0.70 0.02 . 2 . . . . A 236 VAL HG11 . 34300 1 1552 . 1 1 161 161 VAL HG12 H 1 0.70 0.02 . 2 . . . . A 236 VAL HG12 . 34300 1 1553 . 1 1 161 161 VAL HG13 H 1 0.70 0.02 . 2 . . . . A 236 VAL HG13 . 34300 1 1554 . 1 1 161 161 VAL HG21 H 1 0.83 0.02 . 2 . . . . A 236 VAL HG21 . 34300 1 1555 . 1 1 161 161 VAL HG22 H 1 0.83 0.02 . 2 . . . . A 236 VAL HG22 . 34300 1 1556 . 1 1 161 161 VAL HG23 H 1 0.83 0.02 . 2 . . . . A 236 VAL HG23 . 34300 1 1557 . 1 1 161 161 VAL C C 13 170.99 0.10 . 1 . . . . A 236 VAL C . 34300 1 1558 . 1 1 161 161 VAL CA C 13 60.98 0.10 . 1 . . . . A 236 VAL CA . 34300 1 1559 . 1 1 161 161 VAL CB C 13 36.84 0.10 . 1 . . . . A 236 VAL CB . 34300 1 1560 . 1 1 161 161 VAL CG1 C 13 21.54 0.10 . 2 . . . . A 236 VAL CG1 . 34300 1 1561 . 1 1 161 161 VAL CG2 C 13 21.75 0.10 . 2 . . . . A 236 VAL CG2 . 34300 1 1562 . 1 1 161 161 VAL N N 15 117.58 0.05 . 1 . . . . A 236 VAL N . 34300 1 1563 . 1 1 162 162 MET H H 1 8.35 0.02 . 1 . . . . A 237 MET H . 34300 1 1564 . 1 1 162 162 MET HA H 1 5.36 0.02 . 1 . . . . A 237 MET HA . 34300 1 1565 . 1 1 162 162 MET HB2 H 1 2.34 0.02 . 2 . . . . A 237 MET HB2 . 34300 1 1566 . 1 1 162 162 MET HB3 H 1 2.34 0.02 . 2 . . . . A 237 MET HB3 . 34300 1 1567 . 1 1 162 162 MET HG2 H 1 2.67 0.02 . 2 . . . . A 237 MET HG2 . 34300 1 1568 . 1 1 162 162 MET HG3 H 1 2.67 0.02 . 2 . . . . A 237 MET HG3 . 34300 1 1569 . 1 1 162 162 MET HE1 H 1 2.06 0.02 . 1 . . . . A 237 MET HE1 . 34300 1 1570 . 1 1 162 162 MET HE2 H 1 2.06 0.02 . 1 . . . . A 237 MET HE2 . 34300 1 1571 . 1 1 162 162 MET HE3 H 1 2.06 0.02 . 1 . . . . A 237 MET HE3 . 34300 1 1572 . 1 1 162 162 MET C C 13 173.73 0.10 . 1 . . . . A 237 MET C . 34300 1 1573 . 1 1 162 162 MET CA C 13 52.90 0.10 . 1 . . . . A 237 MET CA . 34300 1 1574 . 1 1 162 162 MET CB C 13 34.71 0.10 . 1 . . . . A 237 MET CB . 34300 1 1575 . 1 1 162 162 MET CG C 13 32.85 0.10 . 1 . . . . A 237 MET CG . 34300 1 1576 . 1 1 162 162 MET CE C 13 19.34 0.10 . 1 . . . . A 237 MET CE . 34300 1 1577 . 1 1 162 162 MET N N 15 125.84 0.05 . 1 . . . . A 237 MET N . 34300 1 1578 . 1 1 163 163 VAL H H 1 9.28 0.02 . 1 . . . . A 238 VAL H . 34300 1 1579 . 1 1 163 163 VAL HA H 1 5.14 0.02 . 1 . . . . A 238 VAL HA . 34300 1 1580 . 1 1 163 163 VAL HB H 1 1.66 0.02 . 1 . . . . A 238 VAL HB . 34300 1 1581 . 1 1 163 163 VAL HG11 H 1 0.42 0.02 . 2 . . . . A 238 VAL HG11 . 34300 1 1582 . 1 1 163 163 VAL HG12 H 1 0.42 0.02 . 2 . . . . A 238 VAL HG12 . 34300 1 1583 . 1 1 163 163 VAL HG13 H 1 0.42 0.02 . 2 . . . . A 238 VAL HG13 . 34300 1 1584 . 1 1 163 163 VAL HG21 H 1 0.83 0.02 . 2 . . . . A 238 VAL HG21 . 34300 1 1585 . 1 1 163 163 VAL HG22 H 1 0.83 0.02 . 2 . . . . A 238 VAL HG22 . 34300 1 1586 . 1 1 163 163 VAL HG23 H 1 0.83 0.02 . 2 . . . . A 238 VAL HG23 . 34300 1 1587 . 1 1 163 163 VAL C C 13 175.20 0.10 . 1 . . . . A 238 VAL C . 34300 1 1588 . 1 1 163 163 VAL CA C 13 60.38 0.10 . 1 . . . . A 238 VAL CA . 34300 1 1589 . 1 1 163 163 VAL CB C 13 33.62 0.10 . 1 . . . . A 238 VAL CB . 34300 1 1590 . 1 1 163 163 VAL CG1 C 13 21.60 0.10 . 2 . . . . A 238 VAL CG1 . 34300 1 1591 . 1 1 163 163 VAL CG2 C 13 22.41 0.10 . 2 . . . . A 238 VAL CG2 . 34300 1 1592 . 1 1 163 163 VAL N N 15 127.76 0.05 . 1 . . . . A 238 VAL N . 34300 1 1593 . 1 1 164 164 GLY H H 1 8.34 0.02 . 1 . . . . A 239 GLY H . 34300 1 1594 . 1 1 164 164 GLY HA2 H 1 3.60 0.02 . 2 . . . . A 239 GLY HA2 . 34300 1 1595 . 1 1 164 164 GLY HA3 H 1 3.60 0.02 . 2 . . . . A 239 GLY HA3 . 34300 1 1596 . 1 1 164 164 GLY C C 13 171.36 0.10 . 1 . . . . A 239 GLY C . 34300 1 1597 . 1 1 164 164 GLY CA C 13 45.80 0.10 . 1 . . . . A 239 GLY CA . 34300 1 1598 . 1 1 164 164 GLY N N 15 111.06 0.05 . 1 . . . . A 239 GLY N . 34300 1 1599 . 1 1 165 165 ASP H H 1 8.11 0.02 . 1 . . . . A 240 ASP H . 34300 1 1600 . 1 1 165 165 ASP HA H 1 4.87 0.02 . 1 . . . . A 240 ASP HA . 34300 1 1601 . 1 1 165 165 ASP HB2 H 1 2.45 0.02 . 2 . . . . A 240 ASP HB2 . 34300 1 1602 . 1 1 165 165 ASP HB3 H 1 2.45 0.02 . 2 . . . . A 240 ASP HB3 . 34300 1 1603 . 1 1 165 165 ASP C C 13 175.68 0.10 . 1 . . . . A 240 ASP C . 34300 1 1604 . 1 1 165 165 ASP CA C 13 53.38 0.10 . 1 . . . . A 240 ASP CA . 34300 1 1605 . 1 1 165 165 ASP CB C 13 41.83 0.10 . 1 . . . . A 240 ASP CB . 34300 1 1606 . 1 1 165 165 ASP N N 15 113.76 0.05 . 1 . . . . A 240 ASP N . 34300 1 1607 . 1 1 166 166 ARG H H 1 8.94 0.02 . 1 . . . . A 241 ARG H . 34300 1 1608 . 1 1 166 166 ARG CA C 13 52.81 0.10 . 1 . . . . A 241 ARG CA . 34300 1 1609 . 1 1 166 166 ARG CB C 13 34.15 0.10 . 1 . . . . A 241 ARG CB . 34300 1 1610 . 1 1 166 166 ARG N N 15 117.70 0.05 . 1 . . . . A 241 ARG N . 34300 1 1611 . 1 1 168 168 HIS CA C 13 59.48 0.10 . 1 . . . . A 243 HIS CA . 34300 1 1612 . 1 1 169 169 ASP H H 1 7.60 0.02 . 1 . . . . A 244 ASP H . 34300 1 1613 . 1 1 169 169 ASP HA H 1 4.34 0.02 . 1 . . . . A 244 ASP HA . 34300 1 1614 . 1 1 169 169 ASP HB2 H 1 2.89 0.02 . 2 . . . . A 244 ASP HB2 . 34300 1 1615 . 1 1 169 169 ASP HB3 H 1 2.89 0.02 . 2 . . . . A 244 ASP HB3 . 34300 1 1616 . 1 1 169 169 ASP C C 13 176.22 0.10 . 1 . . . . A 244 ASP C . 34300 1 1617 . 1 1 169 169 ASP CA C 13 58.78 0.10 . 1 . . . . A 244 ASP CA . 34300 1 1618 . 1 1 169 169 ASP CB C 13 41.85 0.10 . 1 . . . . A 244 ASP CB . 34300 1 1619 . 1 1 169 169 ASP N N 15 117.99 0.05 . 1 . . . . A 244 ASP N . 34300 1 1620 . 1 1 170 170 VAL H H 1 6.84 0.02 . 1 . . . . A 245 VAL H . 34300 1 1621 . 1 1 170 170 VAL HA H 1 3.93 0.02 . 1 . . . . A 245 VAL HA . 34300 1 1622 . 1 1 170 170 VAL HB H 1 2.30 0.02 . 1 . . . . A 245 VAL HB . 34300 1 1623 . 1 1 170 170 VAL HG11 H 1 0.87 0.02 . 2 . . . . A 245 VAL HG11 . 34300 1 1624 . 1 1 170 170 VAL HG12 H 1 0.87 0.02 . 2 . . . . A 245 VAL HG12 . 34300 1 1625 . 1 1 170 170 VAL HG13 H 1 0.87 0.02 . 2 . . . . A 245 VAL HG13 . 34300 1 1626 . 1 1 170 170 VAL HG21 H 1 0.87 0.02 . 2 . . . . A 245 VAL HG21 . 34300 1 1627 . 1 1 170 170 VAL HG22 H 1 0.87 0.02 . 2 . . . . A 245 VAL HG22 . 34300 1 1628 . 1 1 170 170 VAL HG23 H 1 0.87 0.02 . 2 . . . . A 245 VAL HG23 . 34300 1 1629 . 1 1 170 170 VAL CA C 13 64.61 0.10 . 1 . . . . A 245 VAL CA . 34300 1 1630 . 1 1 170 170 VAL CB C 13 31.80 0.10 . 1 . . . . A 245 VAL CB . 34300 1 1631 . 1 1 170 170 VAL CG1 C 13 22.59 0.10 . 2 . . . . A 245 VAL CG1 . 34300 1 1632 . 1 1 170 170 VAL CG2 C 13 22.59 0.10 . 2 . . . . A 245 VAL CG2 . 34300 1 1633 . 1 1 170 170 VAL N N 15 118.67 0.05 . 1 . . . . A 245 VAL N . 34300 1 1634 . 1 1 171 171 ASP H H 1 8.71 0.02 . 1 . . . . A 246 ASP H . 34300 1 1635 . 1 1 171 171 ASP HA H 1 4.31 0.02 . 1 . . . . A 246 ASP HA . 34300 1 1636 . 1 1 171 171 ASP HB2 H 1 2.61 0.02 . 2 . . . . A 246 ASP HB2 . 34300 1 1637 . 1 1 171 171 ASP HB3 H 1 2.61 0.02 . 2 . . . . A 246 ASP HB3 . 34300 1 1638 . 1 1 171 171 ASP C C 13 179.58 0.10 . 1 . . . . A 246 ASP C . 34300 1 1639 . 1 1 171 171 ASP CA C 13 57.04 0.10 . 1 . . . . A 246 ASP CA . 34300 1 1640 . 1 1 171 171 ASP CB C 13 40.27 0.10 . 1 . . . . A 246 ASP CB . 34300 1 1641 . 1 1 171 171 ASP N N 15 119.71 0.05 . 1 . . . . A 246 ASP N . 34300 1 1642 . 1 1 172 172 GLY H H 1 7.99 0.02 . 1 . . . . A 247 GLY H . 34300 1 1643 . 1 1 172 172 GLY HA2 H 1 3.78 0.02 . 2 . . . . A 247 GLY HA2 . 34300 1 1644 . 1 1 172 172 GLY HA3 H 1 3.38 0.02 . 2 . . . . A 247 GLY HA3 . 34300 1 1645 . 1 1 172 172 GLY C C 13 173.89 0.10 . 1 . . . . A 247 GLY C . 34300 1 1646 . 1 1 172 172 GLY CA C 13 47.15 0.10 . 1 . . . . A 247 GLY CA . 34300 1 1647 . 1 1 172 172 GLY N N 15 108.55 0.05 . 1 . . . . A 247 GLY N . 34300 1 1648 . 1 1 173 173 ALA H H 1 8.00 0.02 . 1 . . . . A 248 ALA H . 34300 1 1649 . 1 1 173 173 ALA HA H 1 3.97 0.02 . 1 . . . . A 248 ALA HA . 34300 1 1650 . 1 1 173 173 ALA HB1 H 1 1.28 0.02 . 1 . . . . A 248 ALA HB1 . 34300 1 1651 . 1 1 173 173 ALA HB2 H 1 1.28 0.02 . 1 . . . . A 248 ALA HB2 . 34300 1 1652 . 1 1 173 173 ALA HB3 H 1 1.28 0.02 . 1 . . . . A 248 ALA HB3 . 34300 1 1653 . 1 1 173 173 ALA C C 13 181.18 0.10 . 1 . . . . A 248 ALA C . 34300 1 1654 . 1 1 173 173 ALA CA C 13 55.43 0.10 . 1 . . . . A 248 ALA CA . 34300 1 1655 . 1 1 173 173 ALA CB C 13 17.61 0.10 . 1 . . . . A 248 ALA CB . 34300 1 1656 . 1 1 173 173 ALA N N 15 122.36 0.05 . 1 . . . . A 248 ALA N . 34300 1 1657 . 1 1 174 174 ALA H H 1 8.72 0.02 . 1 . . . . A 249 ALA H . 34300 1 1658 . 1 1 174 174 ALA HA H 1 4.07 0.02 . 1 . . . . A 249 ALA HA . 34300 1 1659 . 1 1 174 174 ALA HB1 H 1 1.54 0.02 . 1 . . . . A 249 ALA HB1 . 34300 1 1660 . 1 1 174 174 ALA HB2 H 1 1.54 0.02 . 1 . . . . A 249 ALA HB2 . 34300 1 1661 . 1 1 174 174 ALA HB3 H 1 1.54 0.02 . 1 . . . . A 249 ALA HB3 . 34300 1 1662 . 1 1 174 174 ALA C C 13 181.51 0.10 . 1 . . . . A 249 ALA C . 34300 1 1663 . 1 1 174 174 ALA CA C 13 55.31 0.10 . 1 . . . . A 249 ALA CA . 34300 1 1664 . 1 1 174 174 ALA CB C 13 18.23 0.10 . 1 . . . . A 249 ALA CB . 34300 1 1665 . 1 1 174 174 ALA N N 15 122.13 0.05 . 1 . . . . A 249 ALA N . 34300 1 1666 . 1 1 175 175 ALA H H 1 7.38 0.02 . 1 . . . . A 250 ALA H . 34300 1 1667 . 1 1 175 175 ALA HA H 1 4.04 0.02 . 1 . . . . A 250 ALA HA . 34300 1 1668 . 1 1 175 175 ALA HB1 H 1 1.32 0.02 . 1 . . . . A 250 ALA HB1 . 34300 1 1669 . 1 1 175 175 ALA HB2 H 1 1.32 0.02 . 1 . . . . A 250 ALA HB2 . 34300 1 1670 . 1 1 175 175 ALA HB3 H 1 1.32 0.02 . 1 . . . . A 250 ALA HB3 . 34300 1 1671 . 1 1 175 175 ALA C C 13 178.08 0.10 . 1 . . . . A 250 ALA C . 34300 1 1672 . 1 1 175 175 ALA CA C 13 54.42 0.10 . 1 . . . . A 250 ALA CA . 34300 1 1673 . 1 1 175 175 ALA CB C 13 18.37 0.10 . 1 . . . . A 250 ALA CB . 34300 1 1674 . 1 1 175 175 ALA N N 15 121.01 0.05 . 1 . . . . A 250 ALA N . 34300 1 1675 . 1 1 176 176 HIS H H 1 7.36 0.02 . 1 . . . . A 251 HIS H . 34300 1 1676 . 1 1 176 176 HIS HA H 1 4.63 0.02 . 1 . . . . A 251 HIS HA . 34300 1 1677 . 1 1 176 176 HIS HB2 H 1 3.31 0.02 . 2 . . . . A 251 HIS HB2 . 34300 1 1678 . 1 1 176 176 HIS HB3 H 1 2.62 0.02 . 2 . . . . A 251 HIS HB3 . 34300 1 1679 . 1 1 176 176 HIS C C 13 175.35 0.10 . 1 . . . . A 251 HIS C . 34300 1 1680 . 1 1 176 176 HIS CA C 13 55.67 0.10 . 1 . . . . A 251 HIS CA . 34300 1 1681 . 1 1 176 176 HIS CB C 13 32.99 0.10 . 1 . . . . A 251 HIS CB . 34300 1 1682 . 1 1 176 176 HIS N N 15 115.09 0.05 . 1 . . . . A 251 HIS N . 34300 1 1683 . 1 1 177 177 GLY H H 1 7.98 0.02 . 1 . . . . A 252 GLY H . 34300 1 1684 . 1 1 177 177 GLY HA2 H 1 4.04 0.02 . 2 . . . . A 252 GLY HA2 . 34300 1 1685 . 1 1 177 177 GLY HA3 H 1 3.76 0.02 . 2 . . . . A 252 GLY HA3 . 34300 1 1686 . 1 1 177 177 GLY C C 13 173.99 0.10 . 1 . . . . A 252 GLY C . 34300 1 1687 . 1 1 177 177 GLY CA C 13 46.41 0.10 . 1 . . . . A 252 GLY CA . 34300 1 1688 . 1 1 177 177 GLY N N 15 109.01 0.05 . 1 . . . . A 252 GLY N . 34300 1 1689 . 1 1 178 178 ILE H H 1 7.95 0.02 . 1 . . . . A 253 ILE H . 34300 1 1690 . 1 1 178 178 ILE HA H 1 4.25 0.02 . 1 . . . . A 253 ILE HA . 34300 1 1691 . 1 1 178 178 ILE HB H 1 1.51 0.02 . 1 . . . . A 253 ILE HB . 34300 1 1692 . 1 1 178 178 ILE HG21 H 1 0.94 0.02 . 1 . . . . A 253 ILE HG21 . 34300 1 1693 . 1 1 178 178 ILE HG22 H 1 0.94 0.02 . 1 . . . . A 253 ILE HG22 . 34300 1 1694 . 1 1 178 178 ILE HG23 H 1 0.94 0.02 . 1 . . . . A 253 ILE HG23 . 34300 1 1695 . 1 1 178 178 ILE HD11 H 1 0.73 0.02 . 1 . . . . A 253 ILE HD11 . 34300 1 1696 . 1 1 178 178 ILE HD12 H 1 0.73 0.02 . 1 . . . . A 253 ILE HD12 . 34300 1 1697 . 1 1 178 178 ILE HD13 H 1 0.73 0.02 . 1 . . . . A 253 ILE HD13 . 34300 1 1698 . 1 1 178 178 ILE C C 13 174.49 0.10 . 1 . . . . A 253 ILE C . 34300 1 1699 . 1 1 178 178 ILE CA C 13 60.55 0.10 . 1 . . . . A 253 ILE CA . 34300 1 1700 . 1 1 178 178 ILE CB C 13 40.34 0.10 . 1 . . . . A 253 ILE CB . 34300 1 1701 . 1 1 178 178 ILE CG2 C 13 17.23 0.10 . 1 . . . . A 253 ILE CG2 . 34300 1 1702 . 1 1 178 178 ILE CD1 C 13 15.08 0.10 . 1 . . . . A 253 ILE CD1 . 34300 1 1703 . 1 1 178 178 ILE N N 15 122.41 0.05 . 1 . . . . A 253 ILE N . 34300 1 1704 . 1 1 179 179 ASP H H 1 8.97 0.02 . 1 . . . . A 254 ASP H . 34300 1 1705 . 1 1 179 179 ASP HA H 1 4.74 0.02 . 1 . . . . A 254 ASP HA . 34300 1 1706 . 1 1 179 179 ASP HB2 H 1 2.85 0.02 . 2 . . . . A 254 ASP HB2 . 34300 1 1707 . 1 1 179 179 ASP HB3 H 1 2.54 0.02 . 2 . . . . A 254 ASP HB3 . 34300 1 1708 . 1 1 179 179 ASP CA C 13 55.00 0.10 . 1 . . . . A 254 ASP CA . 34300 1 1709 . 1 1 179 179 ASP CB C 13 42.22 0.10 . 1 . . . . A 254 ASP CB . 34300 1 1710 . 1 1 179 179 ASP N N 15 129.48 0.05 . 1 . . . . A 254 ASP N . 34300 1 1711 . 1 1 180 180 THR HA H 1 5.43 0.02 . 1 . . . . A 255 THR HA . 34300 1 1712 . 1 1 180 180 THR HB H 1 3.48 0.02 . 1 . . . . A 255 THR HB . 34300 1 1713 . 1 1 180 180 THR C C 13 174.26 0.10 . 1 . . . . A 255 THR C . 34300 1 1714 . 1 1 180 180 THR CA C 13 61.81 0.10 . 1 . . . . A 255 THR CA . 34300 1 1715 . 1 1 180 180 THR CB C 13 71.57 0.10 . 1 . . . . A 255 THR CB . 34300 1 1716 . 1 1 181 181 VAL H H 1 9.28 0.02 . 1 . . . . A 256 VAL H . 34300 1 1717 . 1 1 181 181 VAL HA H 1 4.35 0.02 . 1 . . . . A 256 VAL HA . 34300 1 1718 . 1 1 181 181 VAL CB C 13 32.91 0.10 . 1 . . . . A 256 VAL CB . 34300 1 1719 . 1 1 181 181 VAL N N 15 128.06 0.05 . 1 . . . . A 256 VAL N . 34300 1 1720 . 1 1 185 185 TRP HE1 H 1 10.04 0.02 . 1 . . . . A 260 TRP HE1 . 34300 1 1721 . 1 1 185 185 TRP HE3 H 1 7.34 0.02 . 1 . . . . A 260 TRP HE3 . 34300 1 1722 . 1 1 185 185 TRP HZ2 H 1 7.01 0.02 . 1 . . . . A 260 TRP HZ2 . 34300 1 1723 . 1 1 185 185 TRP HZ3 H 1 6.49 0.02 . 1 . . . . A 260 TRP HZ3 . 34300 1 1724 . 1 1 185 185 TRP HH2 H 1 6.86 0.02 . 1 . . . . A 260 TRP HH2 . 34300 1 1725 . 1 1 185 185 TRP CE3 C 13 119.44 0.10 . 1 . . . . A 260 TRP CE3 . 34300 1 1726 . 1 1 185 185 TRP CZ2 C 13 112.72 0.10 . 1 . . . . A 260 TRP CZ2 . 34300 1 1727 . 1 1 185 185 TRP CZ3 C 13 121.45 0.10 . 1 . . . . A 260 TRP CZ3 . 34300 1 1728 . 1 1 185 185 TRP CH2 C 13 123.07 0.10 . 1 . . . . A 260 TRP CH2 . 34300 1 1729 . 1 1 185 185 TRP NE1 N 15 132.44 0.05 . 1 . . . . A 260 TRP NE1 . 34300 1 1730 . 1 1 186 186 GLY CA C 13 45.66 0.10 . 1 . . . . A 261 GLY CA . 34300 1 1731 . 1 1 187 187 TYR H H 1 8.98 0.02 . 1 . . . . A 262 TYR H . 34300 1 1732 . 1 1 187 187 TYR HA H 1 5.21 0.02 . 1 . . . . A 262 TYR HA . 34300 1 1733 . 1 1 187 187 TYR HB2 H 1 3.52 0.02 . 2 . . . . A 262 TYR HB2 . 34300 1 1734 . 1 1 187 187 TYR HB3 H 1 2.60 0.02 . 2 . . . . A 262 TYR HB3 . 34300 1 1735 . 1 1 187 187 TYR HD1 H 1 7.14 0.02 . 3 . . . . A 262 TYR HD1 . 34300 1 1736 . 1 1 187 187 TYR HD2 H 1 7.14 0.02 . 3 . . . . A 262 TYR HD2 . 34300 1 1737 . 1 1 187 187 TYR HE1 H 1 6.98 0.02 . 3 . . . . A 262 TYR HE1 . 34300 1 1738 . 1 1 187 187 TYR HE2 H 1 6.98 0.02 . 3 . . . . A 262 TYR HE2 . 34300 1 1739 . 1 1 187 187 TYR CA C 13 56.03 0.10 . 1 . . . . A 262 TYR CA . 34300 1 1740 . 1 1 187 187 TYR CB C 13 38.55 0.10 . 1 . . . . A 262 TYR CB . 34300 1 1741 . 1 1 187 187 TYR CD1 C 13 133.03 0.10 . 3 . . . . A 262 TYR CD1 . 34300 1 1742 . 1 1 187 187 TYR CD2 C 13 133.03 0.10 . 3 . . . . A 262 TYR CD2 . 34300 1 1743 . 1 1 187 187 TYR CE1 C 13 118.44 0.10 . 3 . . . . A 262 TYR CE1 . 34300 1 1744 . 1 1 187 187 TYR CE2 C 13 118.44 0.10 . 3 . . . . A 262 TYR CE2 . 34300 1 1745 . 1 1 187 187 TYR N N 15 121.77 0.05 . 1 . . . . A 262 TYR N . 34300 1 1746 . 1 1 188 188 GLY H H 1 7.91 0.02 . 1 . . . . A 263 GLY H . 34300 1 1747 . 1 1 188 188 GLY C C 13 176.19 0.10 . 1 . . . . A 263 GLY C . 34300 1 1748 . 1 1 188 188 GLY CA C 13 45.88 0.10 . 1 . . . . A 263 GLY CA . 34300 1 1749 . 1 1 188 188 GLY N N 15 106.87 0.05 . 1 . . . . A 263 GLY N . 34300 1 1750 . 1 1 189 189 ARG H H 1 8.36 0.02 . 1 . . . . A 264 ARG H . 34300 1 1751 . 1 1 189 189 ARG HA H 1 4.11 0.02 . 1 . . . . A 264 ARG HA . 34300 1 1752 . 1 1 189 189 ARG HB2 H 1 2.00 0.02 . 2 . . . . A 264 ARG HB2 . 34300 1 1753 . 1 1 189 189 ARG HB3 H 1 1.87 0.02 . 2 . . . . A 264 ARG HB3 . 34300 1 1754 . 1 1 189 189 ARG HG2 H 1 1.73 0.02 . 2 . . . . A 264 ARG HG2 . 34300 1 1755 . 1 1 189 189 ARG HG3 H 1 1.67 0.02 . 2 . . . . A 264 ARG HG3 . 34300 1 1756 . 1 1 189 189 ARG HD2 H 1 3.29 0.02 . 2 . . . . A 264 ARG HD2 . 34300 1 1757 . 1 1 189 189 ARG HD3 H 1 3.29 0.02 . 2 . . . . A 264 ARG HD3 . 34300 1 1758 . 1 1 189 189 ARG C C 13 178.24 0.10 . 1 . . . . A 264 ARG C . 34300 1 1759 . 1 1 189 189 ARG CA C 13 59.74 0.10 . 1 . . . . A 264 ARG CA . 34300 1 1760 . 1 1 189 189 ARG CB C 13 29.76 0.10 . 1 . . . . A 264 ARG CB . 34300 1 1761 . 1 1 189 189 ARG CG C 13 27.16 0.10 . 1 . . . . A 264 ARG CG . 34300 1 1762 . 1 1 189 189 ARG CD C 13 43.39 0.10 . 1 . . . . A 264 ARG CD . 34300 1 1763 . 1 1 189 189 ARG N N 15 121.26 0.05 . 1 . . . . A 264 ARG N . 34300 1 1764 . 1 1 190 190 ALA H H 1 8.66 0.02 . 1 . . . . A 265 ALA H . 34300 1 1765 . 1 1 190 190 ALA HA H 1 4.40 0.02 . 1 . . . . A 265 ALA HA . 34300 1 1766 . 1 1 190 190 ALA HB1 H 1 1.41 0.02 . 1 . . . . A 265 ALA HB1 . 34300 1 1767 . 1 1 190 190 ALA HB2 H 1 1.41 0.02 . 1 . . . . A 265 ALA HB2 . 34300 1 1768 . 1 1 190 190 ALA HB3 H 1 1.41 0.02 . 1 . . . . A 265 ALA HB3 . 34300 1 1769 . 1 1 190 190 ALA C C 13 178.04 0.10 . 1 . . . . A 265 ALA C . 34300 1 1770 . 1 1 190 190 ALA CA C 13 52.38 0.10 . 1 . . . . A 265 ALA CA . 34300 1 1771 . 1 1 190 190 ALA CB C 13 18.60 0.10 . 1 . . . . A 265 ALA CB . 34300 1 1772 . 1 1 190 190 ALA N N 15 119.63 0.05 . 1 . . . . A 265 ALA N . 34300 1 1773 . 1 1 191 191 ASP H H 1 7.95 0.02 . 1 . . . . A 266 ASP H . 34300 1 1774 . 1 1 191 191 ASP HA H 1 4.16 0.02 . 1 . . . . A 266 ASP HA . 34300 1 1775 . 1 1 191 191 ASP HB2 H 1 2.62 0.02 . 2 . . . . A 266 ASP HB2 . 34300 1 1776 . 1 1 191 191 ASP HB3 H 1 2.62 0.02 . 2 . . . . A 266 ASP HB3 . 34300 1 1777 . 1 1 191 191 ASP CA C 13 55.62 0.10 . 1 . . . . A 266 ASP CA . 34300 1 1778 . 1 1 191 191 ASP CB C 13 40.20 0.10 . 1 . . . . A 266 ASP CB . 34300 1 1779 . 1 1 191 191 ASP N N 15 119.18 0.05 . 1 . . . . A 266 ASP N . 34300 1 1780 . 1 1 192 192 PHE HD1 H 1 7.36 0.02 . 3 . . . . A 267 PHE HD1 . 34300 1 1781 . 1 1 192 192 PHE HD2 H 1 7.36 0.02 . 3 . . . . A 267 PHE HD2 . 34300 1 1782 . 1 1 192 192 PHE HE1 H 1 7.25 0.02 . 3 . . . . A 267 PHE HE1 . 34300 1 1783 . 1 1 192 192 PHE HE2 H 1 7.25 0.02 . 3 . . . . A 267 PHE HE2 . 34300 1 1784 . 1 1 192 192 PHE HZ H 1 6.91 0.02 . 1 . . . . A 267 PHE HZ . 34300 1 1785 . 1 1 192 192 PHE CD1 C 13 132.60 0.10 . 3 . . . . A 267 PHE CD1 . 34300 1 1786 . 1 1 192 192 PHE CD2 C 13 132.60 0.10 . 3 . . . . A 267 PHE CD2 . 34300 1 1787 . 1 1 192 192 PHE CE1 C 13 131.39 0.10 . 3 . . . . A 267 PHE CE1 . 34300 1 1788 . 1 1 192 192 PHE CE2 C 13 131.39 0.10 . 3 . . . . A 267 PHE CE2 . 34300 1 1789 . 1 1 192 192 PHE CZ C 13 129.42 0.10 . 1 . . . . A 267 PHE CZ . 34300 1 1790 . 1 1 204 204 ALA HA H 1 4.82 0.02 . 1 . . . . A 279 ALA HA . 34300 1 1791 . 1 1 204 204 ALA HB1 H 1 1.03 0.02 . 1 . . . . A 279 ALA HB1 . 34300 1 1792 . 1 1 204 204 ALA HB2 H 1 1.03 0.02 . 1 . . . . A 279 ALA HB2 . 34300 1 1793 . 1 1 204 204 ALA HB3 H 1 1.03 0.02 . 1 . . . . A 279 ALA HB3 . 34300 1 1794 . 1 1 204 204 ALA C C 13 174.79 0.10 . 1 . . . . A 279 ALA C . 34300 1 1795 . 1 1 204 204 ALA CA C 13 49.94 0.10 . 1 . . . . A 279 ALA CA . 34300 1 1796 . 1 1 204 204 ALA CB C 13 19.16 0.10 . 1 . . . . A 279 ALA CB . 34300 1 1797 . 1 1 205 205 ALA H H 1 9.32 0.02 . 1 . . . . A 280 ALA H . 34300 1 1798 . 1 1 205 205 ALA HA H 1 4.22 0.02 . 1 . . . . A 280 ALA HA . 34300 1 1799 . 1 1 205 205 ALA HB1 H 1 1.61 0.02 . 1 . . . . A 280 ALA HB1 . 34300 1 1800 . 1 1 205 205 ALA HB2 H 1 1.61 0.02 . 1 . . . . A 280 ALA HB2 . 34300 1 1801 . 1 1 205 205 ALA HB3 H 1 1.61 0.02 . 1 . . . . A 280 ALA HB3 . 34300 1 1802 . 1 1 205 205 ALA C C 13 177.92 0.10 . 1 . . . . A 280 ALA C . 34300 1 1803 . 1 1 205 205 ALA CA C 13 54.55 0.10 . 1 . . . . A 280 ALA CA . 34300 1 1804 . 1 1 205 205 ALA CB C 13 20.51 0.10 . 1 . . . . A 280 ALA CB . 34300 1 1805 . 1 1 205 205 ALA N N 15 126.77 0.05 . 1 . . . . A 280 ALA N . 34300 1 1806 . 1 1 206 206 THR H H 1 7.29 0.02 . 1 . . . . A 281 THR H . 34300 1 1807 . 1 1 206 206 THR HA H 1 4.96 0.02 . 1 . . . . A 281 THR HA . 34300 1 1808 . 1 1 206 206 THR HB H 1 4.65 0.02 . 1 . . . . A 281 THR HB . 34300 1 1809 . 1 1 206 206 THR HG21 H 1 1.26 0.02 . 1 . . . . A 281 THR HG21 . 34300 1 1810 . 1 1 206 206 THR HG22 H 1 1.26 0.02 . 1 . . . . A 281 THR HG22 . 34300 1 1811 . 1 1 206 206 THR HG23 H 1 1.26 0.02 . 1 . . . . A 281 THR HG23 . 34300 1 1812 . 1 1 206 206 THR C C 13 176.17 0.10 . 1 . . . . A 281 THR C . 34300 1 1813 . 1 1 206 206 THR CA C 13 58.38 0.10 . 1 . . . . A 281 THR CA . 34300 1 1814 . 1 1 206 206 THR CB C 13 73.82 0.10 . 1 . . . . A 281 THR CB . 34300 1 1815 . 1 1 206 206 THR CG2 C 13 21.64 0.10 . 1 . . . . A 281 THR CG2 . 34300 1 1816 . 1 1 206 206 THR N N 15 102.80 0.05 . 1 . . . . A 281 THR N . 34300 1 1817 . 1 1 207 207 ILE H H 1 9.10 0.02 . 1 . . . . A 282 ILE H . 34300 1 1818 . 1 1 207 207 ILE HA H 1 3.97 0.02 . 1 . . . . A 282 ILE HA . 34300 1 1819 . 1 1 207 207 ILE HB H 1 1.70 0.02 . 1 . . . . A 282 ILE HB . 34300 1 1820 . 1 1 207 207 ILE HG12 H 1 1.32 0.02 . 2 . . . . A 282 ILE HG12 . 34300 1 1821 . 1 1 207 207 ILE HG13 H 1 1.13 0.02 . 2 . . . . A 282 ILE HG13 . 34300 1 1822 . 1 1 207 207 ILE HG21 H 1 0.87 0.02 . 1 . . . . A 282 ILE HG21 . 34300 1 1823 . 1 1 207 207 ILE HG22 H 1 0.87 0.02 . 1 . . . . A 282 ILE HG22 . 34300 1 1824 . 1 1 207 207 ILE HG23 H 1 0.87 0.02 . 1 . . . . A 282 ILE HG23 . 34300 1 1825 . 1 1 207 207 ILE HD11 H 1 0.57 0.02 . 1 . . . . A 282 ILE HD11 . 34300 1 1826 . 1 1 207 207 ILE HD12 H 1 0.57 0.02 . 1 . . . . A 282 ILE HD12 . 34300 1 1827 . 1 1 207 207 ILE HD13 H 1 0.57 0.02 . 1 . . . . A 282 ILE HD13 . 34300 1 1828 . 1 1 207 207 ILE C C 13 176.97 0.10 . 1 . . . . A 282 ILE C . 34300 1 1829 . 1 1 207 207 ILE CA C 13 61.89 0.10 . 1 . . . . A 282 ILE CA . 34300 1 1830 . 1 1 207 207 ILE CB C 13 36.88 0.10 . 1 . . . . A 282 ILE CB . 34300 1 1831 . 1 1 207 207 ILE CG1 C 13 28.67 0.10 . 1 . . . . A 282 ILE CG1 . 34300 1 1832 . 1 1 207 207 ILE CG2 C 13 18.40 0.10 . 1 . . . . A 282 ILE CG2 . 34300 1 1833 . 1 1 207 207 ILE CD1 C 13 12.92 0.10 . 1 . . . . A 282 ILE CD1 . 34300 1 1834 . 1 1 207 207 ILE N N 15 123.60 0.05 . 1 . . . . A 282 ILE N . 34300 1 1835 . 1 1 208 208 ASP H H 1 8.02 0.02 . 1 . . . . A 283 ASP H . 34300 1 1836 . 1 1 208 208 ASP HA H 1 4.37 0.02 . 1 . . . . A 283 ASP HA . 34300 1 1837 . 1 1 208 208 ASP HB2 H 1 2.67 0.02 . 2 . . . . A 283 ASP HB2 . 34300 1 1838 . 1 1 208 208 ASP HB3 H 1 2.54 0.02 . 2 . . . . A 283 ASP HB3 . 34300 1 1839 . 1 1 208 208 ASP C C 13 179.13 0.10 . 1 . . . . A 283 ASP C . 34300 1 1840 . 1 1 208 208 ASP CA C 13 57.93 0.10 . 1 . . . . A 283 ASP CA . 34300 1 1841 . 1 1 208 208 ASP CB C 13 40.31 0.10 . 1 . . . . A 283 ASP CB . 34300 1 1842 . 1 1 208 208 ASP N N 15 121.03 0.05 . 1 . . . . A 283 ASP N . 34300 1 1843 . 1 1 209 209 GLU H H 1 7.78 0.02 . 1 . . . . A 284 GLU H . 34300 1 1844 . 1 1 209 209 GLU HA H 1 4.22 0.02 . 1 . . . . A 284 GLU HA . 34300 1 1845 . 1 1 209 209 GLU HB2 H 1 2.22 0.02 . 2 . . . . A 284 GLU HB2 . 34300 1 1846 . 1 1 209 209 GLU HB3 H 1 2.22 0.02 . 2 . . . . A 284 GLU HB3 . 34300 1 1847 . 1 1 209 209 GLU HG2 H 1 2.55 0.02 . 2 . . . . A 284 GLU HG2 . 34300 1 1848 . 1 1 209 209 GLU HG3 H 1 2.44 0.02 . 2 . . . . A 284 GLU HG3 . 34300 1 1849 . 1 1 209 209 GLU C C 13 179.92 0.10 . 1 . . . . A 284 GLU C . 34300 1 1850 . 1 1 209 209 GLU CA C 13 59.47 0.10 . 1 . . . . A 284 GLU CA . 34300 1 1851 . 1 1 209 209 GLU CB C 13 30.59 0.10 . 1 . . . . A 284 GLU CB . 34300 1 1852 . 1 1 209 209 GLU CG C 13 37.14 0.10 . 1 . . . . A 284 GLU CG . 34300 1 1853 . 1 1 209 209 GLU N N 15 119.78 0.05 . 1 . . . . A 284 GLU N . 34300 1 1854 . 1 1 210 210 LEU H H 1 8.22 0.02 . 1 . . . . A 285 LEU H . 34300 1 1855 . 1 1 210 210 LEU HA H 1 4.07 0.02 . 1 . . . . A 285 LEU HA . 34300 1 1856 . 1 1 210 210 LEU HB2 H 1 2.40 0.02 . 2 . . . . A 285 LEU HB2 . 34300 1 1857 . 1 1 210 210 LEU HB3 H 1 2.40 0.02 . 2 . . . . A 285 LEU HB3 . 34300 1 1858 . 1 1 210 210 LEU HD11 H 1 1.21 0.02 . 2 . . . . A 285 LEU HD11 . 34300 1 1859 . 1 1 210 210 LEU HD12 H 1 1.21 0.02 . 2 . . . . A 285 LEU HD12 . 34300 1 1860 . 1 1 210 210 LEU HD13 H 1 1.21 0.02 . 2 . . . . A 285 LEU HD13 . 34300 1 1861 . 1 1 210 210 LEU HD21 H 1 1.21 0.02 . 2 . . . . A 285 LEU HD21 . 34300 1 1862 . 1 1 210 210 LEU HD22 H 1 1.21 0.02 . 2 . . . . A 285 LEU HD22 . 34300 1 1863 . 1 1 210 210 LEU HD23 H 1 1.21 0.02 . 2 . . . . A 285 LEU HD23 . 34300 1 1864 . 1 1 210 210 LEU C C 13 177.36 0.10 . 1 . . . . A 285 LEU C . 34300 1 1865 . 1 1 210 210 LEU CA C 13 57.95 0.10 . 1 . . . . A 285 LEU CA . 34300 1 1866 . 1 1 210 210 LEU CB C 13 41.27 0.10 . 1 . . . . A 285 LEU CB . 34300 1 1867 . 1 1 210 210 LEU CD1 C 13 26.96 0.10 . 2 . . . . A 285 LEU CD1 . 34300 1 1868 . 1 1 210 210 LEU CD2 C 13 26.96 0.10 . 2 . . . . A 285 LEU CD2 . 34300 1 1869 . 1 1 210 210 LEU N N 15 122.82 0.05 . 1 . . . . A 285 LEU N . 34300 1 1870 . 1 1 211 211 ARG H H 1 8.82 0.02 . 1 . . . . A 286 ARG H . 34300 1 1871 . 1 1 211 211 ARG HA H 1 3.56 0.02 . 1 . . . . A 286 ARG HA . 34300 1 1872 . 1 1 211 211 ARG HB2 H 1 1.93 0.02 . 2 . . . . A 286 ARG HB2 . 34300 1 1873 . 1 1 211 211 ARG HB3 H 1 1.86 0.02 . 2 . . . . A 286 ARG HB3 . 34300 1 1874 . 1 1 211 211 ARG C C 13 178.02 0.10 . 1 . . . . A 286 ARG C . 34300 1 1875 . 1 1 211 211 ARG CA C 13 60.93 0.10 . 1 . . . . A 286 ARG CA . 34300 1 1876 . 1 1 211 211 ARG CB C 13 30.13 0.10 . 1 . . . . A 286 ARG CB . 34300 1 1877 . 1 1 211 211 ARG N N 15 118.69 0.05 . 1 . . . . A 286 ARG N . 34300 1 1878 . 1 1 212 212 GLU H H 1 7.57 0.02 . 1 . . . . A 287 GLU H . 34300 1 1879 . 1 1 212 212 GLU HA H 1 4.11 0.02 . 1 . . . . A 287 GLU HA . 34300 1 1880 . 1 1 212 212 GLU HB2 H 1 2.13 0.02 . 2 . . . . A 287 GLU HB2 . 34300 1 1881 . 1 1 212 212 GLU HB3 H 1 2.08 0.02 . 2 . . . . A 287 GLU HB3 . 34300 1 1882 . 1 1 212 212 GLU HG2 H 1 2.38 0.02 . 2 . . . . A 287 GLU HG2 . 34300 1 1883 . 1 1 212 212 GLU HG3 H 1 2.26 0.02 . 2 . . . . A 287 GLU HG3 . 34300 1 1884 . 1 1 212 212 GLU C C 13 179.86 0.10 . 1 . . . . A 287 GLU C . 34300 1 1885 . 1 1 212 212 GLU CA C 13 59.21 0.10 . 1 . . . . A 287 GLU CA . 34300 1 1886 . 1 1 212 212 GLU CB C 13 29.56 0.10 . 1 . . . . A 287 GLU CB . 34300 1 1887 . 1 1 212 212 GLU CG C 13 36.25 0.10 . 1 . . . . A 287 GLU CG . 34300 1 1888 . 1 1 212 212 GLU N N 15 116.70 0.05 . 1 . . . . A 287 GLU N . 34300 1 1889 . 1 1 213 213 ALA H H 1 7.81 0.02 . 1 . . . . A 288 ALA H . 34300 1 1890 . 1 1 213 213 ALA HA H 1 4.14 0.02 . 1 . . . . A 288 ALA HA . 34300 1 1891 . 1 1 213 213 ALA HB1 H 1 1.47 0.02 . 1 . . . . A 288 ALA HB1 . 34300 1 1892 . 1 1 213 213 ALA HB2 H 1 1.47 0.02 . 1 . . . . A 288 ALA HB2 . 34300 1 1893 . 1 1 213 213 ALA HB3 H 1 1.47 0.02 . 1 . . . . A 288 ALA HB3 . 34300 1 1894 . 1 1 213 213 ALA C C 13 179.04 0.10 . 1 . . . . A 288 ALA C . 34300 1 1895 . 1 1 213 213 ALA CA C 13 54.63 0.10 . 1 . . . . A 288 ALA CA . 34300 1 1896 . 1 1 213 213 ALA CB C 13 17.78 0.10 . 1 . . . . A 288 ALA CB . 34300 1 1897 . 1 1 213 213 ALA N N 15 121.42 0.05 . 1 . . . . A 288 ALA N . 34300 1 1898 . 1 1 214 214 LEU H H 1 7.85 0.02 . 1 . . . . A 289 LEU H . 34300 1 1899 . 1 1 214 214 LEU HA H 1 4.25 0.02 . 1 . . . . A 289 LEU HA . 34300 1 1900 . 1 1 214 214 LEU HB2 H 1 1.72 0.02 . 2 . . . . A 289 LEU HB2 . 34300 1 1901 . 1 1 214 214 LEU HB3 H 1 1.69 0.02 . 2 . . . . A 289 LEU HB3 . 34300 1 1902 . 1 1 214 214 LEU HG H 1 0.90 0.02 . 1 . . . . A 289 LEU HG . 34300 1 1903 . 1 1 214 214 LEU HD11 H 1 0.60 0.02 . 2 . . . . A 289 LEU HD11 . 34300 1 1904 . 1 1 214 214 LEU HD12 H 1 0.60 0.02 . 2 . . . . A 289 LEU HD12 . 34300 1 1905 . 1 1 214 214 LEU HD13 H 1 0.60 0.02 . 2 . . . . A 289 LEU HD13 . 34300 1 1906 . 1 1 214 214 LEU HD21 H 1 0.60 0.02 . 2 . . . . A 289 LEU HD21 . 34300 1 1907 . 1 1 214 214 LEU HD22 H 1 0.60 0.02 . 2 . . . . A 289 LEU HD22 . 34300 1 1908 . 1 1 214 214 LEU HD23 H 1 0.60 0.02 . 2 . . . . A 289 LEU HD23 . 34300 1 1909 . 1 1 214 214 LEU C C 13 175.73 0.10 . 1 . . . . A 289 LEU C . 34300 1 1910 . 1 1 214 214 LEU CA C 13 54.12 0.10 . 1 . . . . A 289 LEU CA . 34300 1 1911 . 1 1 214 214 LEU CB C 13 41.97 0.10 . 1 . . . . A 289 LEU CB . 34300 1 1912 . 1 1 214 214 LEU CG C 13 26.79 0.10 . 1 . . . . A 289 LEU CG . 34300 1 1913 . 1 1 214 214 LEU CD1 C 13 21.92 0.10 . 2 . . . . A 289 LEU CD1 . 34300 1 1914 . 1 1 214 214 LEU CD2 C 13 21.92 0.10 . 2 . . . . A 289 LEU CD2 . 34300 1 1915 . 1 1 214 214 LEU N N 15 113.75 0.05 . 1 . . . . A 289 LEU N . 34300 1 1916 . 1 1 215 215 GLY H H 1 7.72 0.02 . 1 . . . . A 290 GLY H . 34300 1 1917 . 1 1 215 215 GLY HA2 H 1 4.03 0.02 . 2 . . . . A 290 GLY HA2 . 34300 1 1918 . 1 1 215 215 GLY HA3 H 1 3.88 0.02 . 2 . . . . A 290 GLY HA3 . 34300 1 1919 . 1 1 215 215 GLY C C 13 174.62 0.10 . 1 . . . . A 290 GLY C . 34300 1 1920 . 1 1 215 215 GLY CA C 13 46.47 0.10 . 1 . . . . A 290 GLY CA . 34300 1 1921 . 1 1 215 215 GLY N N 15 106.79 0.05 . 1 . . . . A 290 GLY N . 34300 1 1922 . 1 1 216 216 VAL H H 1 7.78 0.02 . 1 . . . . A 291 VAL H . 34300 1 1923 . 1 1 216 216 VAL HA H 1 4.36 0.02 . 1 . . . . A 291 VAL HA . 34300 1 1924 . 1 1 216 216 VAL HB H 1 2.25 0.02 . 1 . . . . A 291 VAL HB . 34300 1 1925 . 1 1 216 216 VAL HG11 H 1 0.72 0.02 . 2 . . . . A 291 VAL HG11 . 34300 1 1926 . 1 1 216 216 VAL HG12 H 1 0.72 0.02 . 2 . . . . A 291 VAL HG12 . 34300 1 1927 . 1 1 216 216 VAL HG13 H 1 0.72 0.02 . 2 . . . . A 291 VAL HG13 . 34300 1 1928 . 1 1 216 216 VAL HG21 H 1 0.72 0.02 . 2 . . . . A 291 VAL HG21 . 34300 1 1929 . 1 1 216 216 VAL HG22 H 1 0.72 0.02 . 2 . . . . A 291 VAL HG22 . 34300 1 1930 . 1 1 216 216 VAL HG23 H 1 0.72 0.02 . 2 . . . . A 291 VAL HG23 . 34300 1 1931 . 1 1 216 216 VAL CA C 13 61.20 0.10 . 1 . . . . A 291 VAL CA . 34300 1 1932 . 1 1 216 216 VAL CB C 13 33.63 0.10 . 1 . . . . A 291 VAL CB . 34300 1 1933 . 1 1 216 216 VAL CG1 C 13 19.58 0.10 . 2 . . . . A 291 VAL CG1 . 34300 1 1934 . 1 1 216 216 VAL CG2 C 13 22.12 0.10 . 2 . . . . A 291 VAL CG2 . 34300 1 1935 . 1 1 216 216 VAL N N 15 118.73 0.05 . 1 . . . . A 291 VAL N . 34300 1 stop_ save_