data_17569 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17569 _Entry.Title ; Solution structure of the ADD domain of ATRX complexed with histone tail H3 1-15 K9me3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-08 _Entry.Accession_date 2011-04-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sebastian Eustermann . . . 17569 2 Ji-Chun Yang . . . 17569 3 David Neuhaus . . . 17569 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17569 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'histone tail' . 17569 Protein . 17569 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17569 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 17569 '15N chemical shifts' 148 17569 '1H chemical shifts' 949 17569 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-07-08 2011-04-08 update BMRB 'update entry citation' 17569 1 . . 2011-06-16 2011-04-08 original author 'original release' 17569 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBM 'BMRB Entry Tracking System' 17569 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17569 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21666677 _Citation.Full_citation . _Citation.Title 'Combinatorial readout of histone H3 modifications specifies localization of ATRX to heterochromatin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 18 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 777 _Citation.Page_last 782 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Sebastian Eustermann . . . 17569 1 2 Ji-Chun Yang . . . 17569 1 3 Martin Law . J. . 17569 1 4 Rachel Amos . . . 17569 1 5 Lynda Chapman . M. . 17569 1 6 Clare Jelinska . . . 17569 1 7 David Garrick . . . 17569 1 8 David Clynes . . . 17569 1 9 Richard Gibbons . J. . 17569 1 10 Daniela Rhodes . . . 17569 1 11 Douglas Higgs . R. . 17569 1 12 David Neuhaus . . . 17569 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17569 _Assembly.ID 1 _Assembly.Name . _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 ATRX_ADD_domain 1 $ATRX_ADD_domain A . yes native no no . . . 17569 1 2 H3_tail_1-15_K9me3 2 $H3_tail_1-15_K9me3 B . yes native no no . . . 17569 1 3 ZN1_1 3 $ZN C . no native no no . . . 17569 1 4 ZN1_2 3 $ZN D . no native no no . . . 17569 1 5 ZN1_3 3 $ZN E . no native no no . . . 17569 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 66 66 SG . 4 . 3 ZN 1 1 ZN 1 . 220 CYS SG . . . . . 17569 1 2 coordination single . 1 . 1 CYS 89 89 SG . 4 . 3 ZN 1 1 ZN 1 . 243 CYS SG . . . . . 17569 1 3 coordination single . 1 . 1 CYS 86 86 SG . 4 . 3 ZN 1 1 ZN 1 . 240 CYS SG . . . . . 17569 1 4 coordination single . 1 . 1 CYS 69 69 SG . 4 . 3 ZN 1 1 ZN 1 . 223 CYS SG . . . . . 17569 1 5 coordination single . 1 . 1 CYS 17 17 SG . 3 . 3 ZN 1 1 ZN 1 . 171 CYS SG . . . . . 17569 1 6 coordination single . 1 . 1 CYS 81 81 SG . 5 . 3 ZN 1 1 ZN 1 . 235 CYS SG . . . . . 17569 1 7 coordination single . 1 . 1 CYS 111 111 SG . 5 . 3 ZN 1 1 ZN 1 . 265 CYS SG . . . . . 17569 1 8 coordination single . 1 . 1 CYS 46 46 SG . 3 . 3 ZN 1 1 ZN 1 . 200 CYS SG . . . . . 17569 1 9 coordination single . 1 . 1 CYS 20 20 SG . 3 . 3 ZN 1 1 ZN 1 . 174 CYS SG . . . . . 17569 1 10 coordination single . 1 . 1 CYS 78 78 SG . 5 . 3 ZN 1 1 ZN 1 . 232 CYS SG . . . . . 17569 1 11 coordination single . 1 . 1 CYS 43 43 SG . 3 . 3 ZN 1 1 ZN 1 . 197 CYS SG . . . . . 17569 1 12 coordination single . 1 . 1 CYS 114 114 SG . 5 . 3 ZN 1 1 ZN 1 . 268 CYS SG . . . . . 17569 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATRX_ADD_domain _Entity.Sf_category entity _Entity.Sf_framecode ATRX_ADD_domain _Entity.Entry_ID 17569 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ATRX_ADD_domain _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 ; GAMADKRGDGLHGIVSCTAC GQQVNHFQKDSIYRHPSLQV LICKNCFKYYMSDDISRDSD GMDEQCRWCAEGGNLICCDF CHNAFCKKCILRNLGRKELS TIMDENNQWYCYICHPEPLL DLVTACNSVFENLEQLLQQN KK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16274.673 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15001 . ADD_domain_156-296 . . . . . 100.00 142 100.00 100.00 4.23e-100 . . . . 17569 1 2 no PDB 2JM1 . "Structures And Chemical Shift Assignments For The Add Domain Of The Atrx Protein" . . . . . 100.70 141 97.90 97.90 9.20e-95 . . . . 17569 1 3 no PDB 2LBM . "Solution Structure Of The Add Domain Of Atrx Complexed With Histone Tail H3 1-15 K9me3" . . . . . 100.00 142 100.00 100.00 4.23e-100 . . . . 17569 1 4 no PDB 2LD1 . "Structures And Chemical Shift Assignments For The Add Domain Of The Atrx Protein" . . . . . 100.00 142 100.00 100.00 4.23e-100 . . . . 17569 1 5 no DBJ BAC28096 . "unnamed protein product [Mus musculus]" . . . . . 94.37 922 98.51 99.25 1.98e-90 . . . . 17569 1 6 no DBJ BAC40142 . "unnamed protein product [Mus musculus]" . . . . . 97.18 385 97.83 98.55 1.79e-95 . . . . 17569 1 7 no DBJ BAC81110 . "ATRX [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 8 no DBJ BAC81111 . "ATRX [Pan troglodytes]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 9 no DBJ BAC81112 . "ATRX [Pongo pygmaeus]" . . . . . 97.18 2492 98.55 99.28 4.23e-92 . . . . 17569 1 10 no EMBL CAB90351 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 94.37 2454 100.00 100.00 6.86e-92 . . . . 17569 1 11 no EMBL CAI40710 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 12 no EMBL CAI42674 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 13 no EMBL CAI42675 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 94.37 2454 100.00 100.00 6.86e-92 . . . . 17569 1 14 no EMBL CAI43115 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 15 no GB AAB40698 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 97.18 2375 99.28 99.28 2.06e-92 . . . . 17569 1 16 no GB AAB40699 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 94.37 2337 100.00 100.00 1.01e-91 . . . . 17569 1 17 no GB AAB40700 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 64.79 2288 100.00 100.00 2.96e-59 . . . . 17569 1 18 no GB AAB49969 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 64.79 2288 100.00 100.00 2.96e-59 . . . . 17569 1 19 no GB AAB49970 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 20 no REF NP_000480 . "transcriptional regulator ATRX isoform 1 [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 21 no REF NP_001009018 . "transcriptional regulator ATRX [Pan troglodytes]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 22 no REF NP_033556 . "transcriptional regulator ATRX [Mus musculus]" . . . . . 97.18 2476 97.83 98.55 3.03e-91 . . . . 17569 1 23 no REF NP_612114 . "transcriptional regulator ATRX isoform 2 [Homo sapiens]" . . . . . 94.37 2454 100.00 100.00 6.73e-92 . . . . 17569 1 24 no REF XP_001099671 . "PREDICTED: transcriptional regulator ATRX isoform 2 [Macaca mulatta]" . . . . . 94.37 2338 100.00 100.00 1.12e-91 . . . . 17569 1 25 no SP P46100 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 26 no SP Q61687 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=HP1 alpha-interacting pr" . . . . . 97.18 2476 97.83 98.55 3.03e-91 . . . . 17569 1 27 no SP Q7YQM3 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" . . . . . 97.18 2492 98.55 99.28 4.23e-92 . . . . 17569 1 28 no SP Q7YQM4 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 17569 1 29 no TPG DAA12976 . "TPA: ATP-dependent helicase ATRX isoform 1 [Bos taurus]" . . . . . 97.18 2479 99.28 99.28 2.19e-92 . . . . 17569 1 30 no TPG DAA12977 . "TPA: ATP-dependent helicase ATRX isoform 2 [Bos taurus]" . . . . . 94.37 2441 100.00 100.00 1.08e-91 . . . . 17569 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 155 GLY . 17569 1 2 156 ALA . 17569 1 3 157 MET . 17569 1 4 158 ALA . 17569 1 5 159 ASP . 17569 1 6 160 LYS . 17569 1 7 161 ARG . 17569 1 8 162 GLY . 17569 1 9 163 ASP . 17569 1 10 164 GLY . 17569 1 11 165 LEU . 17569 1 12 166 HIS . 17569 1 13 167 GLY . 17569 1 14 168 ILE . 17569 1 15 169 VAL . 17569 1 16 170 SER . 17569 1 17 171 CYS . 17569 1 18 172 THR . 17569 1 19 173 ALA . 17569 1 20 174 CYS . 17569 1 21 175 GLY . 17569 1 22 176 GLN . 17569 1 23 177 GLN . 17569 1 24 178 VAL . 17569 1 25 179 ASN . 17569 1 26 180 HIS . 17569 1 27 181 PHE . 17569 1 28 182 GLN . 17569 1 29 183 LYS . 17569 1 30 184 ASP . 17569 1 31 185 SER . 17569 1 32 186 ILE . 17569 1 33 187 TYR . 17569 1 34 188 ARG . 17569 1 35 189 HIS . 17569 1 36 190 PRO . 17569 1 37 191 SER . 17569 1 38 192 LEU . 17569 1 39 193 GLN . 17569 1 40 194 VAL . 17569 1 41 195 LEU . 17569 1 42 196 ILE . 17569 1 43 197 CYS . 17569 1 44 198 LYS . 17569 1 45 199 ASN . 17569 1 46 200 CYS . 17569 1 47 201 PHE . 17569 1 48 202 LYS . 17569 1 49 203 TYR . 17569 1 50 204 TYR . 17569 1 51 205 MET . 17569 1 52 206 SER . 17569 1 53 207 ASP . 17569 1 54 208 ASP . 17569 1 55 209 ILE . 17569 1 56 210 SER . 17569 1 57 211 ARG . 17569 1 58 212 ASP . 17569 1 59 213 SER . 17569 1 60 214 ASP . 17569 1 61 215 GLY . 17569 1 62 216 MET . 17569 1 63 217 ASP . 17569 1 64 218 GLU . 17569 1 65 219 GLN . 17569 1 66 220 CYS . 17569 1 67 221 ARG . 17569 1 68 222 TRP . 17569 1 69 223 CYS . 17569 1 70 224 ALA . 17569 1 71 225 GLU . 17569 1 72 226 GLY . 17569 1 73 227 GLY . 17569 1 74 228 ASN . 17569 1 75 229 LEU . 17569 1 76 230 ILE . 17569 1 77 231 CYS . 17569 1 78 232 CYS . 17569 1 79 233 ASP . 17569 1 80 234 PHE . 17569 1 81 235 CYS . 17569 1 82 236 HIS . 17569 1 83 237 ASN . 17569 1 84 238 ALA . 17569 1 85 239 PHE . 17569 1 86 240 CYS . 17569 1 87 241 LYS . 17569 1 88 242 LYS . 17569 1 89 243 CYS . 17569 1 90 244 ILE . 17569 1 91 245 LEU . 17569 1 92 246 ARG . 17569 1 93 247 ASN . 17569 1 94 248 LEU . 17569 1 95 249 GLY . 17569 1 96 250 ARG . 17569 1 97 251 LYS . 17569 1 98 252 GLU . 17569 1 99 253 LEU . 17569 1 100 254 SER . 17569 1 101 255 THR . 17569 1 102 256 ILE . 17569 1 103 257 MET . 17569 1 104 258 ASP . 17569 1 105 259 GLU . 17569 1 106 260 ASN . 17569 1 107 261 ASN . 17569 1 108 262 GLN . 17569 1 109 263 TRP . 17569 1 110 264 TYR . 17569 1 111 265 CYS . 17569 1 112 266 TYR . 17569 1 113 267 ILE . 17569 1 114 268 CYS . 17569 1 115 269 HIS . 17569 1 116 270 PRO . 17569 1 117 271 GLU . 17569 1 118 272 PRO . 17569 1 119 273 LEU . 17569 1 120 274 LEU . 17569 1 121 275 ASP . 17569 1 122 276 LEU . 17569 1 123 277 VAL . 17569 1 124 278 THR . 17569 1 125 279 ALA . 17569 1 126 280 CYS . 17569 1 127 281 ASN . 17569 1 128 282 SER . 17569 1 129 283 VAL . 17569 1 130 284 PHE . 17569 1 131 285 GLU . 17569 1 132 286 ASN . 17569 1 133 287 LEU . 17569 1 134 288 GLU . 17569 1 135 289 GLN . 17569 1 136 290 LEU . 17569 1 137 291 LEU . 17569 1 138 292 GLN . 17569 1 139 293 GLN . 17569 1 140 294 ASN . 17569 1 141 295 LYS . 17569 1 142 296 LYS . 17569 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 17569 1 . ALA 2 2 17569 1 . MET 3 3 17569 1 . ALA 4 4 17569 1 . ASP 5 5 17569 1 . LYS 6 6 17569 1 . ARG 7 7 17569 1 . GLY 8 8 17569 1 . ASP 9 9 17569 1 . GLY 10 10 17569 1 . LEU 11 11 17569 1 . HIS 12 12 17569 1 . GLY 13 13 17569 1 . ILE 14 14 17569 1 . VAL 15 15 17569 1 . SER 16 16 17569 1 . CYS 17 17 17569 1 . THR 18 18 17569 1 . ALA 19 19 17569 1 . CYS 20 20 17569 1 . GLY 21 21 17569 1 . GLN 22 22 17569 1 . GLN 23 23 17569 1 . VAL 24 24 17569 1 . ASN 25 25 17569 1 . HIS 26 26 17569 1 . PHE 27 27 17569 1 . GLN 28 28 17569 1 . LYS 29 29 17569 1 . ASP 30 30 17569 1 . SER 31 31 17569 1 . ILE 32 32 17569 1 . TYR 33 33 17569 1 . ARG 34 34 17569 1 . HIS 35 35 17569 1 . PRO 36 36 17569 1 . SER 37 37 17569 1 . LEU 38 38 17569 1 . GLN 39 39 17569 1 . VAL 40 40 17569 1 . LEU 41 41 17569 1 . ILE 42 42 17569 1 . CYS 43 43 17569 1 . LYS 44 44 17569 1 . ASN 45 45 17569 1 . CYS 46 46 17569 1 . PHE 47 47 17569 1 . LYS 48 48 17569 1 . TYR 49 49 17569 1 . TYR 50 50 17569 1 . MET 51 51 17569 1 . SER 52 52 17569 1 . ASP 53 53 17569 1 . ASP 54 54 17569 1 . ILE 55 55 17569 1 . SER 56 56 17569 1 . ARG 57 57 17569 1 . ASP 58 58 17569 1 . SER 59 59 17569 1 . ASP 60 60 17569 1 . GLY 61 61 17569 1 . MET 62 62 17569 1 . ASP 63 63 17569 1 . GLU 64 64 17569 1 . GLN 65 65 17569 1 . CYS 66 66 17569 1 . ARG 67 67 17569 1 . TRP 68 68 17569 1 . CYS 69 69 17569 1 . ALA 70 70 17569 1 . GLU 71 71 17569 1 . GLY 72 72 17569 1 . GLY 73 73 17569 1 . ASN 74 74 17569 1 . LEU 75 75 17569 1 . ILE 76 76 17569 1 . CYS 77 77 17569 1 . CYS 78 78 17569 1 . ASP 79 79 17569 1 . PHE 80 80 17569 1 . CYS 81 81 17569 1 . HIS 82 82 17569 1 . ASN 83 83 17569 1 . ALA 84 84 17569 1 . PHE 85 85 17569 1 . CYS 86 86 17569 1 . LYS 87 87 17569 1 . LYS 88 88 17569 1 . CYS 89 89 17569 1 . ILE 90 90 17569 1 . LEU 91 91 17569 1 . ARG 92 92 17569 1 . ASN 93 93 17569 1 . LEU 94 94 17569 1 . GLY 95 95 17569 1 . ARG 96 96 17569 1 . LYS 97 97 17569 1 . GLU 98 98 17569 1 . LEU 99 99 17569 1 . SER 100 100 17569 1 . THR 101 101 17569 1 . ILE 102 102 17569 1 . MET 103 103 17569 1 . ASP 104 104 17569 1 . GLU 105 105 17569 1 . ASN 106 106 17569 1 . ASN 107 107 17569 1 . GLN 108 108 17569 1 . TRP 109 109 17569 1 . TYR 110 110 17569 1 . CYS 111 111 17569 1 . TYR 112 112 17569 1 . ILE 113 113 17569 1 . CYS 114 114 17569 1 . HIS 115 115 17569 1 . PRO 116 116 17569 1 . GLU 117 117 17569 1 . PRO 118 118 17569 1 . LEU 119 119 17569 1 . LEU 120 120 17569 1 . ASP 121 121 17569 1 . LEU 122 122 17569 1 . VAL 123 123 17569 1 . THR 124 124 17569 1 . ALA 125 125 17569 1 . CYS 126 126 17569 1 . ASN 127 127 17569 1 . SER 128 128 17569 1 . VAL 129 129 17569 1 . PHE 130 130 17569 1 . GLU 131 131 17569 1 . ASN 132 132 17569 1 . LEU 133 133 17569 1 . GLU 134 134 17569 1 . GLN 135 135 17569 1 . LEU 136 136 17569 1 . LEU 137 137 17569 1 . GLN 138 138 17569 1 . GLN 139 139 17569 1 . ASN 140 140 17569 1 . LYS 141 141 17569 1 . LYS 142 142 17569 1 stop_ save_ save_H3_tail_1-15_K9me3 _Entity.Sf_category entity _Entity.Sf_framecode H3_tail_1-15_K9me3 _Entity.Entry_ID 17569 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name H3_tail_1-15_K9me3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ARTKQTARXSTGGKA _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1607.892 _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 . ALA . 17569 2 2 . ARG . 17569 2 3 . THR . 17569 2 4 . LYS . 17569 2 5 . GLN . 17569 2 6 . THR . 17569 2 7 . ALA . 17569 2 8 . ARG . 17569 2 9 . M3L . 17569 2 10 . SER . 17569 2 11 . THR . 17569 2 12 . GLY . 17569 2 13 . GLY . 17569 2 14 . LYS . 17569 2 15 . ALA . 17569 2 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 . ALA 1 1 17569 2 . ARG 2 2 17569 2 . THR 3 3 17569 2 . LYS 4 4 17569 2 . GLN 5 5 17569 2 . THR 6 6 17569 2 . ALA 7 7 17569 2 . ARG 8 8 17569 2 . M3L 9 9 17569 2 . SER 10 10 17569 2 . THR 11 11 17569 2 . GLY 12 12 17569 2 . GLY 13 13 17569 2 . LYS 14 14 17569 2 . ALA 15 15 17569 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17569 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . ZN . 17569 3 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 17569 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ATRX_ADD_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17569 1 2 2 $H3_tail_1-15_K9me3 . 9606 organism . 'Homo sapiens' HUman . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17569 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 17569 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ATRX_ADD_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30a . . . . . . 17569 1 2 2 $H3_tail_1-15_K9me3 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17569 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17569 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:52:58 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17569 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17569 ZN [Zn++] SMILES CACTVS 3.341 17569 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17569 ZN [Zn+2] SMILES ACDLabs 10.04 17569 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17569 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17569 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17569 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17569 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17569 ZN stop_ save_ save_chem_comp_M3L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M3L _Chem_comp.Entry_ID 17569 _Chem_comp.ID M3L _Chem_comp.Provenance . _Chem_comp.Name N-TRIMETHYLLYSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code M3L _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2009-01-07 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code M3L _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H21 N2 O2' _Chem_comp.Formula_weight 189.275 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1IRV _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 11:54:40 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C[N+](C)(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17569 M3L C[N+](C)(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17569 M3L C[N+](C)(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 17569 M3L C[N+](C)(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 17569 M3L InChI=1/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1/fC9H21N2O2/h12H/q+1 InChI InChI 1.02b 17569 M3L MXNRLFUSFKVQSK-BYHWLUTBDQ InChIKey InChI 1.02b 17569 M3L O=C(O)C(N)CCCC[N+](C)(C)C SMILES ACDLabs 10.04 17569 M3L stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17569 M3L N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium 'SYSTEMATIC NAME' ACDLabs 10.04 17569 M3L stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . -2.814 . 12.539 . 13.256 . 2.673 -1.806 -0.237 1 . 17569 M3L CA . CA . . C . . S 0 . . . . no no . . . . -3.102 . 11.614 . 14.365 . 2.588 -0.365 -0.509 2 . 17569 M3L CB . CB . . C . . N 0 . . . . no no . . . . -4.189 . 12.119 . 15.335 . 1.322 0.202 0.136 3 . 17569 M3L CG . CG . . C . . N 0 . . . . no no . . . . -3.880 . 13.549 . 15.831 . 0.090 -0.410 -0.535 4 . 17569 M3L CD . CD . . C . . N 0 . . . . no no . . . . -4.441 . 13.558 . 17.321 . -1.176 0.157 0.110 5 . 17569 M3L CE . CE . . C . . N 0 . . . . no no . . . . -3.694 . 14.657 . 18.071 . -2.408 -0.455 -0.560 6 . 17569 M3L NZ . NZ . . N . . N 1 . . . . no no . . . . -4.572 . 15.283 . 19.112 . -3.623 0.090 0.059 7 . 17569 M3L C . C . . C . . N 0 . . . . no no . . . . -3.379 . 10.187 . 13.922 . 3.798 0.327 0.065 8 . 17569 M3L O . O . . O . . N 0 . . . . no no . . . . -3.248 . 9.276 . 14.755 . 4.447 -0.211 0.930 9 . 17569 M3L OXT . OXT . . O . . N 0 . . . . no yes . . . . -3.767 . 10.077 . 12.705 . 4.153 1.541 -0.384 10 . 17569 M3L CM1 . CM1 . . C . . N 0 . . . . no no . . . . -4.397 . 14.369 . 20.286 . -3.648 1.549 -0.111 11 . 17569 M3L CM2 . CM2 . . C . . N 0 . . . . no no . . . . -4.155 . 16.639 . 19.590 . -3.632 -0.237 1.491 12 . 17569 M3L CM3 . CM3 . . C . . N 0 . . . . no no . . . . -5.970 . 15.303 . 18.583 . -4.806 -0.498 -0.585 13 . 17569 M3L H . H . . H . . N 0 . . . . no no . . . . -2.094 . 12.204 . 12.614 . 2.704 -1.910 0.766 14 . 17569 M3L H2 . H2 . . H . . N 0 . . . . no yes . . . . -2.573 . 13.463 . 13.613 . 1.802 -2.211 -0.544 15 . 17569 M3L HA . HA . . H . . N 0 . . . . no no . . . . -2.146 . 11.591 . 14.939 . 2.553 -0.200 -1.586 16 . 17569 M3L HB2 . HB2 . . H . . N 0 . . . . no no . . . . -5.204 . 12.054 . 14.880 . 1.304 1.285 0.010 17 . 17569 M3L HB3 . HB3 . . H . . N 0 . . . . no no . . . . -4.337 . 11.414 . 16.186 . 1.315 -0.040 1.198 18 . 17569 M3L HG2 . HG2 . . H . . N 0 . . . . no no . . . . -2.809 . 13.847 . 15.739 . 0.109 -1.492 -0.409 19 . 17569 M3L HG3 . HG3 . . H . . N 0 . . . . no no . . . . -4.284 . 14.359 . 15.181 . 0.097 -0.167 -1.598 20 . 17569 M3L HD2 . HD2 . . H . . N 0 . . . . no no . . . . -5.549 . 13.668 . 17.371 . -1.194 1.240 -0.016 21 . 17569 M3L HD3 . HD3 . . H . . N 0 . . . . no no . . . . -4.374 . 12.563 . 17.820 . -1.182 -0.085 1.173 22 . 17569 M3L HE2 . HE2 . . H . . N 0 . . . . no no . . . . -2.739 . 14.282 . 18.507 . -2.389 -1.537 -0.435 23 . 17569 M3L HE3 . HE3 . . H . . N 0 . . . . no no . . . . -3.272 . 15.418 . 17.374 . -2.401 -0.212 -1.623 24 . 17569 M3L HXT . HXT . . H . . N 0 . . . . no yes . . . . -3.940 . 9.184 . 12.428 . 4.929 1.985 -0.016 25 . 17569 M3L HM11 . HM11 . . H . . N 0 . . . . no no . . . . -5.050 . 14.834 . 21.060 . -2.771 1.985 0.367 26 . 17569 M3L HM12 . HM12 . . H . . N 0 . . . . no no . . . . -4.612 . 13.295 . 20.077 . -3.641 1.791 -1.173 27 . 17569 M3L HM13 . HM13 . . H . . N 0 . . . . no no . . . . -3.339 . 14.210 . 20.601 . -4.550 1.953 0.349 28 . 17569 M3L HM21 . HM21 . . H . . N 0 . . . . no no . . . . -4.808 . 17.104 . 20.364 . -4.534 0.167 1.950 29 . 17569 M3L HM22 . HM22 . . H . . N 0 . . . . no no . . . . -3.101 . 16.605 . 19.953 . -3.614 -1.320 1.616 30 . 17569 M3L HM23 . HM23 . . H . . N 0 . . . . no no . . . . -4.045 . 17.329 . 18.721 . -2.755 0.199 1.968 31 . 17569 M3L HM31 . HM31 . . H . . N 0 . . . . no no . . . . -6.623 . 15.768 . 19.357 . -4.799 -0.255 -1.648 32 . 17569 M3L HM32 . HM32 . . H . . N 0 . . . . no no . . . . -6.049 . 15.806 . 17.591 . -4.788 -1.581 -0.459 33 . 17569 M3L HM33 . HM33 . . H . . N 0 . . . . no no . . . . -6.326 . 14.295 . 18.266 . -5.708 -0.094 -0.126 34 . 17569 M3L stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 17569 M3L 2 . SING N H no N 2 . 17569 M3L 3 . SING N H2 no N 3 . 17569 M3L 4 . SING CA CB no N 4 . 17569 M3L 5 . SING CA C no N 5 . 17569 M3L 6 . SING CA HA no N 6 . 17569 M3L 7 . SING CB CG no N 7 . 17569 M3L 8 . SING CB HB2 no N 8 . 17569 M3L 9 . SING CB HB3 no N 9 . 17569 M3L 10 . SING CG CD no N 10 . 17569 M3L 11 . SING CG HG2 no N 11 . 17569 M3L 12 . SING CG HG3 no N 12 . 17569 M3L 13 . SING CD CE no N 13 . 17569 M3L 14 . SING CD HD2 no N 14 . 17569 M3L 15 . SING CD HD3 no N 15 . 17569 M3L 16 . SING CE NZ no N 16 . 17569 M3L 17 . SING CE HE2 no N 17 . 17569 M3L 18 . SING CE HE3 no N 18 . 17569 M3L 19 . SING NZ CM1 no N 19 . 17569 M3L 20 . SING NZ CM2 no N 20 . 17569 M3L 21 . SING NZ CM3 no N 21 . 17569 M3L 22 . DOUB C O no N 22 . 17569 M3L 23 . SING C OXT no N 23 . 17569 M3L 24 . SING OXT HXT no N 24 . 17569 M3L 25 . SING CM1 HM11 no N 25 . 17569 M3L 26 . SING CM1 HM12 no N 26 . 17569 M3L 27 . SING CM1 HM13 no N 27 . 17569 M3L 28 . SING CM2 HM21 no N 28 . 17569 M3L 29 . SING CM2 HM22 no N 29 . 17569 M3L 30 . SING CM2 HM23 no N 30 . 17569 M3L 31 . SING CM3 HM31 no N 31 . 17569 M3L 32 . SING CM3 HM32 no N 32 . 17569 M3L 33 . SING CM3 HM33 no N 33 . 17569 M3L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17569 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'ATRX ADD domain' '[U-98% 13C; U-98% 15N]' . . 1 $ATRX_ADD_domain . . 200 . . uM . . . . 17569 1 2 'H3 tail 1-15 K9me3' 'natural abundance' . . 2 $H3_tail_1-15_K9me3 . . 200 . . uM . . . . 17569 1 3 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 17569 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17569 1 5 'zinc sulfate' 'natural abundance' . . 3 $ZN . . 150 . . uM . . . . 17569 1 6 DTT '[U-99% 2H]' . . . . . . 1 . . mM . . . . 17569 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17569 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17569 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17569 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'ATRX ADD domain' '[U-98% 13C; U-98% 15N]' . . 1 $ATRX_ADD_domain . . 200 . . uM . . . . 17569 2 2 'H3 tail 1-15 K9me3' 'natural abundance' . . 2 $H3_tail_1-15_K9me3 . . 200 . . uM . . . . 17569 2 3 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 17569 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17569 2 5 'zinc sulfate' 'natural abundance' . . 3 $ZN . . 150 . . uM . . . . 17569 2 6 DTT '[U-99% 2H]' . . . . . . 1 . . mM . . . . 17569 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17569 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 17569 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 250 . mM 17569 1 pH 7.0 . pH 17569 1 pressure 1 . atm 17569 1 temperature 300 . K 17569 1 stop_ save_ ############################ # Computer software used # ############################ save_xplor-nih _Software.Sf_category software _Software.Sf_framecode xplor-nih _Software.Entry_ID 17569 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.19 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17569 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17569 1 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 17569 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17569 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17569 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17569 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17569 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17569 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17569 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17569 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17569 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17569 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17569 1 2 spectrometer_2 Bruker DMX . 600 . . . 17569 1 3 spectrometer_3 Bruker DRX . 500 . . . 17569 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 17569 _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 . . . . . . . . . . . . . . . . . . . . . 17569 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 3 '2D 1H-13C HSQC aliphatic (constant-time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 4 '2D 1H-13C HSQC aromatic (constant-time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 5 '2D 1H-1H NOESY (13C-H rejected in F1 and F2)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 9 '3D H[C]CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 10 '3D [H]CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 14 '2D 1H-1H TOCSY (13C-H rejected in F1 and F2)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 15 '2D 1H-1H NOESY (15N-H rejected in F2)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 18 '3D 1H-13C NOESY aliphatic (rejected 13C-H in F1, 12C-H in F3)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 19 '2D 1H-1H NOESY (13C-H rejected F1, 12C-H rejected F2)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 20 '2D 1H-1H NOESY (13C-H and 15N-H rejected in F1 and F2)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17569 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17569 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 17569 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 17569 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 17569 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17569 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17569 1 2 '2D 1H-13C HSQC' . . . 17569 1 3 '2D 1H-13C HSQC aliphatic (constant-time)' . . . 17569 1 4 '2D 1H-13C HSQC aromatic (constant-time)' . . . 17569 1 5 '2D 1H-1H NOESY (13C-H rejected in F1 and F2)' . . . 17569 1 6 '3D HNCA' . . . 17569 1 7 '3D HN(CO)CA' . . . 17569 1 8 '3D HBHA(CO)NH' . . . 17569 1 9 '3D H[C]CH-TOCSY' . . . 17569 1 10 '3D [H]CCH-TOCSY' . . . 17569 1 11 '3D 1H-15N NOESY' . . . 17569 1 12 '3D 1H-13C NOESY aliphatic' . . . 17569 1 13 '3D 1H-13C NOESY aromatic' . . . 17569 1 14 '2D 1H-1H TOCSY (13C-H rejected in F1 and F2)' . . . 17569 1 19 '2D 1H-1H NOESY (13C-H rejected F1, 12C-H rejected F2)' . . . 17569 1 20 '2D 1H-1H NOESY (13C-H and 15N-H rejected in F1 and F2)' . . . 17569 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.387 0.020 . 1 . . . A 156 ALA HA . 17569 1 2 . 1 1 2 2 ALA HB1 H 1 1.442 0.020 . 1 . . . A 156 ALA HB1 . 17569 1 3 . 1 1 2 2 ALA HB2 H 1 1.442 0.020 . 1 . . . A 156 ALA HB2 . 17569 1 4 . 1 1 2 2 ALA HB3 H 1 1.442 0.020 . 1 . . . A 156 ALA HB3 . 17569 1 5 . 1 1 2 2 ALA CA C 13 52.445 0.100 . 1 . . . A 156 ALA CA . 17569 1 6 . 1 1 2 2 ALA CB C 13 19.256 0.100 . 1 . . . A 156 ALA CB . 17569 1 7 . 1 1 3 3 MET HA H 1 4.476 0.020 . 1 . . . A 157 MET HA . 17569 1 8 . 1 1 3 3 MET HB2 H 1 2.106 0.020 . 1 . . . A 157 MET HB2 . 17569 1 9 . 1 1 3 3 MET HB3 H 1 2.106 0.020 . 1 . . . A 157 MET HB3 . 17569 1 10 . 1 1 3 3 MET HE1 H 1 2.143 0.020 . 1 . . . A 157 MET HE1 . 17569 1 11 . 1 1 3 3 MET HE2 H 1 2.143 0.020 . 1 . . . A 157 MET HE2 . 17569 1 12 . 1 1 3 3 MET HE3 H 1 2.143 0.020 . 1 . . . A 157 MET HE3 . 17569 1 13 . 1 1 3 3 MET CA C 13 55.401 0.100 . 1 . . . A 157 MET CA . 17569 1 14 . 1 1 3 3 MET CE C 13 16.874 0.100 . 1 . . . A 157 MET CE . 17569 1 15 . 1 1 4 4 ALA H H 1 8.382 0.020 . 1 . . . A 158 ALA H . 17569 1 16 . 1 1 4 4 ALA HA H 1 4.314 0.020 . 1 . . . A 158 ALA HA . 17569 1 17 . 1 1 4 4 ALA HB1 H 1 1.426 0.020 . 1 . . . A 158 ALA HB1 . 17569 1 18 . 1 1 4 4 ALA HB2 H 1 1.426 0.020 . 1 . . . A 158 ALA HB2 . 17569 1 19 . 1 1 4 4 ALA HB3 H 1 1.426 0.020 . 1 . . . A 158 ALA HB3 . 17569 1 20 . 1 1 4 4 ALA CA C 13 52.511 0.100 . 1 . . . A 158 ALA CA . 17569 1 21 . 1 1 4 4 ALA CB C 13 19.001 0.100 . 1 . . . A 158 ALA CB . 17569 1 22 . 1 1 4 4 ALA N N 15 124.828 0.100 . 1 . . . A 158 ALA N . 17569 1 23 . 1 1 5 5 ASP H H 1 8.312 0.020 . 1 . . . A 159 ASP H . 17569 1 24 . 1 1 5 5 ASP HA H 1 4.590 0.020 . 1 . . . A 159 ASP HA . 17569 1 25 . 1 1 5 5 ASP HB2 H 1 2.670 0.020 . 2 . . . A 159 ASP HB2 . 17569 1 26 . 1 1 5 5 ASP HB3 H 1 2.744 0.020 . 2 . . . A 159 ASP HB3 . 17569 1 27 . 1 1 5 5 ASP CA C 13 54.136 0.100 . 1 . . . A 159 ASP CA . 17569 1 28 . 1 1 5 5 ASP CB C 13 41.015 0.100 . 1 . . . A 159 ASP CB . 17569 1 29 . 1 1 5 5 ASP N N 15 119.418 0.100 . 1 . . . A 159 ASP N . 17569 1 30 . 1 1 6 6 LYS H H 1 8.274 0.020 . 1 . . . A 160 LYS H . 17569 1 31 . 1 1 6 6 LYS HA H 1 4.343 0.020 . 1 . . . A 160 LYS HA . 17569 1 32 . 1 1 6 6 LYS HB2 H 1 1.781 0.020 . 2 . . . A 160 LYS HB2 . 17569 1 33 . 1 1 6 6 LYS HB3 H 1 1.906 0.020 . 2 . . . A 160 LYS HB3 . 17569 1 34 . 1 1 6 6 LYS N N 15 121.604 0.100 . 1 . . . A 160 LYS N . 17569 1 35 . 1 1 7 7 ARG H H 1 8.430 0.020 . 1 . . . A 161 ARG H . 17569 1 36 . 1 1 7 7 ARG HA H 1 4.327 0.020 . 1 . . . A 161 ARG HA . 17569 1 37 . 1 1 7 7 ARG HB2 H 1 1.847 0.020 . 1 . . . A 161 ARG HB2 . 17569 1 38 . 1 1 7 7 ARG HB3 H 1 1.847 0.020 . 1 . . . A 161 ARG HB3 . 17569 1 39 . 1 1 7 7 ARG N N 15 121.611 0.100 . 1 . . . A 161 ARG N . 17569 1 40 . 1 1 8 8 GLY H H 1 8.473 0.020 . 1 . . . A 162 GLY H . 17569 1 41 . 1 1 8 8 GLY HA2 H 1 3.997 0.020 . 1 . . . A 162 GLY HA2 . 17569 1 42 . 1 1 8 8 GLY HA3 H 1 3.997 0.020 . 1 . . . A 162 GLY HA3 . 17569 1 43 . 1 1 8 8 GLY CA C 13 45.047 0.100 . 1 . . . A 162 GLY CA . 17569 1 44 . 1 1 8 8 GLY N N 15 109.606 0.100 . 1 . . . A 162 GLY N . 17569 1 45 . 1 1 9 9 ASP H H 1 8.296 0.020 . 1 . . . A 163 ASP H . 17569 1 46 . 1 1 9 9 ASP HA H 1 4.649 0.020 . 1 . . . A 163 ASP HA . 17569 1 47 . 1 1 9 9 ASP HB2 H 1 2.720 0.020 . 1 . . . A 163 ASP HB2 . 17569 1 48 . 1 1 9 9 ASP HB3 H 1 2.720 0.020 . 1 . . . A 163 ASP HB3 . 17569 1 49 . 1 1 9 9 ASP CA C 13 54.151 0.100 . 1 . . . A 163 ASP CA . 17569 1 50 . 1 1 9 9 ASP N N 15 120.187 0.100 . 1 . . . A 163 ASP N . 17569 1 51 . 1 1 10 10 GLY H H 1 8.458 0.020 . 1 . . . A 164 GLY H . 17569 1 52 . 1 1 10 10 GLY HA2 H 1 3.954 0.020 . 1 . . . A 164 GLY HA2 . 17569 1 53 . 1 1 10 10 GLY HA3 H 1 3.954 0.020 . 1 . . . A 164 GLY HA3 . 17569 1 54 . 1 1 10 10 GLY CA C 13 45.367 0.100 . 1 . . . A 164 GLY CA . 17569 1 55 . 1 1 10 10 GLY N N 15 108.816 0.100 . 1 . . . A 164 GLY N . 17569 1 56 . 1 1 11 11 LEU H H 1 8.137 0.020 . 1 . . . A 165 LEU H . 17569 1 57 . 1 1 11 11 LEU HA H 1 4.316 0.020 . 1 . . . A 165 LEU HA . 17569 1 58 . 1 1 11 11 LEU HB2 H 1 1.460 0.020 . 2 . . . A 165 LEU HB2 . 17569 1 59 . 1 1 11 11 LEU HB3 H 1 1.552 0.020 . 2 . . . A 165 LEU HB3 . 17569 1 60 . 1 1 11 11 LEU HD11 H 1 0.803 0.020 . 2 . . . A 165 LEU HD11 . 17569 1 61 . 1 1 11 11 LEU HD12 H 1 0.803 0.020 . 2 . . . A 165 LEU HD12 . 17569 1 62 . 1 1 11 11 LEU HD13 H 1 0.803 0.020 . 2 . . . A 165 LEU HD13 . 17569 1 63 . 1 1 11 11 LEU HD21 H 1 0.855 0.020 . 2 . . . A 165 LEU HD21 . 17569 1 64 . 1 1 11 11 LEU HD22 H 1 0.855 0.020 . 2 . . . A 165 LEU HD22 . 17569 1 65 . 1 1 11 11 LEU HD23 H 1 0.855 0.020 . 2 . . . A 165 LEU HD23 . 17569 1 66 . 1 1 11 11 LEU CA C 13 55.000 0.100 . 1 . . . A 165 LEU CA . 17569 1 67 . 1 1 11 11 LEU CB C 13 41.932 0.100 . 1 . . . A 165 LEU CB . 17569 1 68 . 1 1 11 11 LEU CD1 C 13 23.314 0.100 . 2 . . . A 165 LEU CD1 . 17569 1 69 . 1 1 11 11 LEU CD2 C 13 24.821 0.100 . 2 . . . A 165 LEU CD2 . 17569 1 70 . 1 1 11 11 LEU N N 15 121.195 0.100 . 1 . . . A 165 LEU N . 17569 1 71 . 1 1 12 12 HIS H H 1 8.270 0.020 . 1 . . . A 166 HIS H . 17569 1 72 . 1 1 12 12 HIS HA H 1 4.655 0.020 . 1 . . . A 166 HIS HA . 17569 1 73 . 1 1 12 12 HIS HB2 H 1 3.078 0.020 . 2 . . . A 166 HIS HB2 . 17569 1 74 . 1 1 12 12 HIS HB3 H 1 3.188 0.020 . 2 . . . A 166 HIS HB3 . 17569 1 75 . 1 1 12 12 HIS HD2 H 1 7.048 0.020 . 1 . . . A 166 HIS HD2 . 17569 1 76 . 1 1 12 12 HIS HE1 H 1 7.824 0.020 . 1 . . . A 166 HIS HE1 . 17569 1 77 . 1 1 12 12 HIS CA C 13 56.269 0.100 . 1 . . . A 166 HIS CA . 17569 1 78 . 1 1 12 12 HIS CB C 13 30.697 0.100 . 1 . . . A 166 HIS CB . 17569 1 79 . 1 1 12 12 HIS CD2 C 13 120.108 0.100 . 1 . . . A 166 HIS CD2 . 17569 1 80 . 1 1 12 12 HIS CE1 C 13 138.277 0.100 . 1 . . . A 166 HIS CE1 . 17569 1 81 . 1 1 12 12 HIS N N 15 119.387 0.100 . 1 . . . A 166 HIS N . 17569 1 82 . 1 1 13 13 GLY H H 1 8.276 0.020 . 1 . . . A 167 GLY H . 17569 1 83 . 1 1 13 13 GLY HA2 H 1 3.903 0.020 . 1 . . . A 167 GLY HA2 . 17569 1 84 . 1 1 13 13 GLY HA3 H 1 3.903 0.020 . 1 . . . A 167 GLY HA3 . 17569 1 85 . 1 1 13 13 GLY CA C 13 45.105 0.100 . 1 . . . A 167 GLY CA . 17569 1 86 . 1 1 13 13 GLY N N 15 109.899 0.100 . 1 . . . A 167 GLY N . 17569 1 87 . 1 1 14 14 ILE H H 1 7.962 0.020 . 1 . . . A 168 ILE H . 17569 1 88 . 1 1 14 14 ILE HA H 1 4.323 0.020 . 1 . . . A 168 ILE HA . 17569 1 89 . 1 1 14 14 ILE HB H 1 1.822 0.020 . 1 . . . A 168 ILE HB . 17569 1 90 . 1 1 14 14 ILE HG12 H 1 1.177 0.020 . 2 . . . A 168 ILE HG12 . 17569 1 91 . 1 1 14 14 ILE HG13 H 1 1.491 0.020 . 2 . . . A 168 ILE HG13 . 17569 1 92 . 1 1 14 14 ILE HG21 H 1 0.859 0.020 . 1 . . . A 168 ILE HG21 . 17569 1 93 . 1 1 14 14 ILE HG22 H 1 0.859 0.020 . 1 . . . A 168 ILE HG22 . 17569 1 94 . 1 1 14 14 ILE HG23 H 1 0.859 0.020 . 1 . . . A 168 ILE HG23 . 17569 1 95 . 1 1 14 14 ILE HD11 H 1 0.851 0.020 . 1 . . . A 168 ILE HD11 . 17569 1 96 . 1 1 14 14 ILE HD12 H 1 0.851 0.020 . 1 . . . A 168 ILE HD12 . 17569 1 97 . 1 1 14 14 ILE HD13 H 1 0.851 0.020 . 1 . . . A 168 ILE HD13 . 17569 1 98 . 1 1 14 14 ILE CA C 13 60.600 0.100 . 1 . . . A 168 ILE CA . 17569 1 99 . 1 1 14 14 ILE CB C 13 38.950 0.100 . 1 . . . A 168 ILE CB . 17569 1 100 . 1 1 14 14 ILE CG1 C 13 26.883 0.100 . 1 . . . A 168 ILE CG1 . 17569 1 101 . 1 1 14 14 ILE CG2 C 13 17.375 0.100 . 1 . . . A 168 ILE CG2 . 17569 1 102 . 1 1 14 14 ILE CD1 C 13 12.624 0.100 . 1 . . . A 168 ILE CD1 . 17569 1 103 . 1 1 14 14 ILE N N 15 119.597 0.100 . 1 . . . A 168 ILE N . 17569 1 104 . 1 1 15 15 VAL H H 1 9.011 0.020 . 1 . . . A 169 VAL H . 17569 1 105 . 1 1 15 15 VAL HA H 1 4.280 0.020 . 1 . . . A 169 VAL HA . 17569 1 106 . 1 1 15 15 VAL HB H 1 1.956 0.020 . 1 . . . A 169 VAL HB . 17569 1 107 . 1 1 15 15 VAL HG11 H 1 0.561 0.020 . 2 . . . A 169 VAL HG11 . 17569 1 108 . 1 1 15 15 VAL HG12 H 1 0.561 0.020 . 2 . . . A 169 VAL HG12 . 17569 1 109 . 1 1 15 15 VAL HG13 H 1 0.561 0.020 . 2 . . . A 169 VAL HG13 . 17569 1 110 . 1 1 15 15 VAL HG21 H 1 0.784 0.020 . 2 . . . A 169 VAL HG21 . 17569 1 111 . 1 1 15 15 VAL HG22 H 1 0.784 0.020 . 2 . . . A 169 VAL HG22 . 17569 1 112 . 1 1 15 15 VAL HG23 H 1 0.784 0.020 . 2 . . . A 169 VAL HG23 . 17569 1 113 . 1 1 15 15 VAL CA C 13 61.317 0.100 . 1 . . . A 169 VAL CA . 17569 1 114 . 1 1 15 15 VAL CB C 13 33.402 0.100 . 1 . . . A 169 VAL CB . 17569 1 115 . 1 1 15 15 VAL CG1 C 13 20.310 0.100 . 2 . . . A 169 VAL CG1 . 17569 1 116 . 1 1 15 15 VAL CG2 C 13 22.120 0.100 . 2 . . . A 169 VAL CG2 . 17569 1 117 . 1 1 15 15 VAL N N 15 127.578 0.100 . 1 . . . A 169 VAL N . 17569 1 118 . 1 1 16 16 SER H H 1 8.242 0.020 . 1 . . . A 170 SER H . 17569 1 119 . 1 1 16 16 SER HA H 1 5.140 0.020 . 1 . . . A 170 SER HA . 17569 1 120 . 1 1 16 16 SER HB2 H 1 3.484 0.020 . 1 . . . A 170 SER HB2 . 17569 1 121 . 1 1 16 16 SER HB3 H 1 3.484 0.020 . 1 . . . A 170 SER HB3 . 17569 1 122 . 1 1 16 16 SER HG H 1 5.214 0.020 . 1 . . . A 170 SER HG . 17569 1 123 . 1 1 16 16 SER CA C 13 55.985 0.100 . 1 . . . A 170 SER CA . 17569 1 124 . 1 1 16 16 SER CB C 13 65.261 0.100 . 1 . . . A 170 SER CB . 17569 1 125 . 1 1 16 16 SER N N 15 118.596 0.100 . 1 . . . A 170 SER N . 17569 1 126 . 1 1 17 17 CYS H H 1 8.894 0.020 . 1 . . . A 171 CYS H . 17569 1 127 . 1 1 17 17 CYS HA H 1 4.181 0.020 . 1 . . . A 171 CYS HA . 17569 1 128 . 1 1 17 17 CYS HB2 H 1 2.884 0.020 . 1 . . . A 171 CYS HB2 . 17569 1 129 . 1 1 17 17 CYS HB3 H 1 3.574 0.020 . 1 . . . A 171 CYS HB3 . 17569 1 130 . 1 1 17 17 CYS CA C 13 59.844 0.100 . 1 . . . A 171 CYS CA . 17569 1 131 . 1 1 17 17 CYS CB C 13 31.373 0.100 . 1 . . . A 171 CYS CB . 17569 1 132 . 1 1 17 17 CYS N N 15 123.783 0.100 . 1 . . . A 171 CYS N . 17569 1 133 . 1 1 18 18 THR H H 1 8.788 0.020 . 1 . . . A 172 THR H . 17569 1 134 . 1 1 18 18 THR HA H 1 4.386 0.020 . 1 . . . A 172 THR HA . 17569 1 135 . 1 1 18 18 THR HB H 1 4.794 0.020 . 1 . . . A 172 THR HB . 17569 1 136 . 1 1 18 18 THR HG21 H 1 1.879 0.020 . 1 . . . A 172 THR HG21 . 17569 1 137 . 1 1 18 18 THR HG22 H 1 1.879 0.020 . 1 . . . A 172 THR HG22 . 17569 1 138 . 1 1 18 18 THR HG23 H 1 1.879 0.020 . 1 . . . A 172 THR HG23 . 17569 1 139 . 1 1 18 18 THR CA C 13 64.667 0.100 . 1 . . . A 172 THR CA . 17569 1 140 . 1 1 18 18 THR CB C 13 69.498 0.100 . 1 . . . A 172 THR CB . 17569 1 141 . 1 1 18 18 THR CG2 C 13 22.698 0.100 . 1 . . . A 172 THR CG2 . 17569 1 142 . 1 1 18 18 THR N N 15 121.703 0.100 . 1 . . . A 172 THR N . 17569 1 143 . 1 1 19 19 ALA H H 1 9.680 0.020 . 1 . . . A 173 ALA H . 17569 1 144 . 1 1 19 19 ALA HA H 1 4.496 0.020 . 1 . . . A 173 ALA HA . 17569 1 145 . 1 1 19 19 ALA HB1 H 1 1.906 0.020 . 1 . . . A 173 ALA HB1 . 17569 1 146 . 1 1 19 19 ALA HB2 H 1 1.906 0.020 . 1 . . . A 173 ALA HB2 . 17569 1 147 . 1 1 19 19 ALA HB3 H 1 1.906 0.020 . 1 . . . A 173 ALA HB3 . 17569 1 148 . 1 1 19 19 ALA CA C 13 54.025 0.100 . 1 . . . A 173 ALA CA . 17569 1 149 . 1 1 19 19 ALA CB C 13 22.182 0.100 . 1 . . . A 173 ALA CB . 17569 1 150 . 1 1 19 19 ALA N N 15 131.364 0.100 . 1 . . . A 173 ALA N . 17569 1 151 . 1 1 20 20 CYS H H 1 8.470 0.020 . 1 . . . A 174 CYS H . 17569 1 152 . 1 1 20 20 CYS HA H 1 4.968 0.020 . 1 . . . A 174 CYS HA . 17569 1 153 . 1 1 20 20 CYS HB2 H 1 2.691 0.020 . 1 . . . A 174 CYS HB2 . 17569 1 154 . 1 1 20 20 CYS HB3 H 1 3.234 0.020 . 1 . . . A 174 CYS HB3 . 17569 1 155 . 1 1 20 20 CYS CA C 13 58.094 0.100 . 1 . . . A 174 CYS CA . 17569 1 156 . 1 1 20 20 CYS CB C 13 33.244 0.100 . 1 . . . A 174 CYS CB . 17569 1 157 . 1 1 20 20 CYS N N 15 115.498 0.100 . 1 . . . A 174 CYS N . 17569 1 158 . 1 1 21 21 GLY H H 1 7.884 0.020 . 1 . . . A 175 GLY H . 17569 1 159 . 1 1 21 21 GLY HA2 H 1 3.913 0.020 . 2 . . . A 175 GLY HA2 . 17569 1 160 . 1 1 21 21 GLY HA3 H 1 4.260 0.020 . 2 . . . A 175 GLY HA3 . 17569 1 161 . 1 1 21 21 GLY CA C 13 45.706 0.100 . 1 . . . A 175 GLY CA . 17569 1 162 . 1 1 21 21 GLY N N 15 112.464 0.100 . 1 . . . A 175 GLY N . 17569 1 163 . 1 1 22 22 GLN H H 1 8.723 0.020 . 1 . . . A 176 GLN H . 17569 1 164 . 1 1 22 22 GLN HA H 1 4.376 0.020 . 1 . . . A 176 GLN HA . 17569 1 165 . 1 1 22 22 GLN HB2 H 1 2.134 0.020 . 1 . . . A 176 GLN HB2 . 17569 1 166 . 1 1 22 22 GLN HB3 H 1 2.317 0.020 . 1 . . . A 176 GLN HB3 . 17569 1 167 . 1 1 22 22 GLN HG2 H 1 2.553 0.020 . 1 . . . A 176 GLN HG2 . 17569 1 168 . 1 1 22 22 GLN HG3 H 1 2.553 0.020 . 1 . . . A 176 GLN HG3 . 17569 1 169 . 1 1 22 22 GLN HE21 H 1 6.927 0.020 . 2 . . . A 176 GLN HE21 . 17569 1 170 . 1 1 22 22 GLN HE22 H 1 7.791 0.020 . 2 . . . A 176 GLN HE22 . 17569 1 171 . 1 1 22 22 GLN CA C 13 56.291 0.100 . 1 . . . A 176 GLN CA . 17569 1 172 . 1 1 22 22 GLN CB C 13 29.341 0.100 . 1 . . . A 176 GLN CB . 17569 1 173 . 1 1 22 22 GLN CG C 13 34.341 0.100 . 1 . . . A 176 GLN CG . 17569 1 174 . 1 1 22 22 GLN N N 15 121.784 0.100 . 1 . . . A 176 GLN N . 17569 1 175 . 1 1 22 22 GLN NE2 N 15 113.588 0.100 . 1 . . . A 176 GLN NE2 . 17569 1 176 . 1 1 23 23 GLN H H 1 8.721 0.020 . 1 . . . A 177 GLN H . 17569 1 177 . 1 1 23 23 GLN HA H 1 4.530 0.020 . 1 . . . A 177 GLN HA . 17569 1 178 . 1 1 23 23 GLN HB2 H 1 1.979 0.020 . 2 . . . A 177 GLN HB2 . 17569 1 179 . 1 1 23 23 GLN HB3 H 1 2.083 0.020 . 2 . . . A 177 GLN HB3 . 17569 1 180 . 1 1 23 23 GLN HG2 H 1 2.371 0.020 . 2 . . . A 177 GLN HG2 . 17569 1 181 . 1 1 23 23 GLN HG3 H 1 2.542 0.020 . 2 . . . A 177 GLN HG3 . 17569 1 182 . 1 1 23 23 GLN HE21 H 1 6.902 0.020 . 2 . . . A 177 GLN HE21 . 17569 1 183 . 1 1 23 23 GLN HE22 H 1 7.698 0.020 . 2 . . . A 177 GLN HE22 . 17569 1 184 . 1 1 23 23 GLN CA C 13 56.550 0.100 . 1 . . . A 177 GLN CA . 17569 1 185 . 1 1 23 23 GLN CB C 13 28.460 0.100 . 1 . . . A 177 GLN CB . 17569 1 186 . 1 1 23 23 GLN N N 15 122.900 0.100 . 1 . . . A 177 GLN N . 17569 1 187 . 1 1 23 23 GLN NE2 N 15 111.615 0.100 . 1 . . . A 177 GLN NE2 . 17569 1 188 . 1 1 24 24 VAL H H 1 8.689 0.020 . 1 . . . A 178 VAL H . 17569 1 189 . 1 1 24 24 VAL HA H 1 4.524 0.020 . 1 . . . A 178 VAL HA . 17569 1 190 . 1 1 24 24 VAL HB H 1 1.925 0.020 . 1 . . . A 178 VAL HB . 17569 1 191 . 1 1 24 24 VAL HG11 H 1 0.770 0.020 . 2 . . . A 178 VAL HG11 . 17569 1 192 . 1 1 24 24 VAL HG12 H 1 0.770 0.020 . 2 . . . A 178 VAL HG12 . 17569 1 193 . 1 1 24 24 VAL HG13 H 1 0.770 0.020 . 2 . . . A 178 VAL HG13 . 17569 1 194 . 1 1 24 24 VAL HG21 H 1 0.862 0.020 . 2 . . . A 178 VAL HG21 . 17569 1 195 . 1 1 24 24 VAL HG22 H 1 0.862 0.020 . 2 . . . A 178 VAL HG22 . 17569 1 196 . 1 1 24 24 VAL HG23 H 1 0.862 0.020 . 2 . . . A 178 VAL HG23 . 17569 1 197 . 1 1 24 24 VAL CA C 13 59.877 0.100 . 1 . . . A 178 VAL CA . 17569 1 198 . 1 1 24 24 VAL CG1 C 13 19.652 0.100 . 2 . . . A 178 VAL CG1 . 17569 1 199 . 1 1 24 24 VAL CG2 C 13 21.760 0.100 . 2 . . . A 178 VAL CG2 . 17569 1 200 . 1 1 24 24 VAL N N 15 121.000 0.100 . 1 . . . A 178 VAL N . 17569 1 201 . 1 1 25 25 ASN H H 1 8.635 0.020 . 1 . . . A 179 ASN H . 17569 1 202 . 1 1 25 25 ASN HA H 1 4.876 0.020 . 1 . . . A 179 ASN HA . 17569 1 203 . 1 1 25 25 ASN HB2 H 1 2.709 0.020 . 1 . . . A 179 ASN HB2 . 17569 1 204 . 1 1 25 25 ASN HB3 H 1 2.924 0.020 . 1 . . . A 179 ASN HB3 . 17569 1 205 . 1 1 25 25 ASN HD21 H 1 6.972 0.020 . 2 . . . A 179 ASN HD21 . 17569 1 206 . 1 1 25 25 ASN HD22 H 1 7.563 0.020 . 2 . . . A 179 ASN HD22 . 17569 1 207 . 1 1 25 25 ASN CA C 13 52.149 0.100 . 1 . . . A 179 ASN CA . 17569 1 208 . 1 1 25 25 ASN CB C 13 37.977 0.100 . 1 . . . A 179 ASN CB . 17569 1 209 . 1 1 25 25 ASN N N 15 121.392 0.100 . 1 . . . A 179 ASN N . 17569 1 210 . 1 1 25 25 ASN ND2 N 15 111.143 0.100 . 1 . . . A 179 ASN ND2 . 17569 1 211 . 1 1 26 26 HIS HD2 H 1 6.578 0.020 . 1 . . . A 180 HIS HD2 . 17569 1 212 . 1 1 26 26 HIS HE1 H 1 7.963 0.020 . 1 . . . A 180 HIS HE1 . 17569 1 213 . 1 1 26 26 HIS CD2 C 13 118.570 0.100 . 1 . . . A 180 HIS CD2 . 17569 1 214 . 1 1 26 26 HIS CE1 C 13 138.640 0.100 . 1 . . . A 180 HIS CE1 . 17569 1 215 . 1 1 27 27 PHE HA H 1 4.460 0.020 . 1 . . . A 181 PHE HA . 17569 1 216 . 1 1 27 27 PHE HB2 H 1 2.862 0.020 . 2 . . . A 181 PHE HB2 . 17569 1 217 . 1 1 27 27 PHE HB3 H 1 3.092 0.020 . 2 . . . A 181 PHE HB3 . 17569 1 218 . 1 1 27 27 PHE HD1 H 1 6.974 0.020 . 1 . . . A 181 PHE HD1 . 17569 1 219 . 1 1 27 27 PHE HD2 H 1 6.974 0.020 . 1 . . . A 181 PHE HD2 . 17569 1 220 . 1 1 27 27 PHE HE1 H 1 7.196 0.020 . 1 . . . A 181 PHE HE1 . 17569 1 221 . 1 1 27 27 PHE HE2 H 1 7.196 0.020 . 1 . . . A 181 PHE HE2 . 17569 1 222 . 1 1 27 27 PHE HZ H 1 7.232 0.020 . 1 . . . A 181 PHE HZ . 17569 1 223 . 1 1 27 27 PHE CA C 13 56.998 0.100 . 1 . . . A 181 PHE CA . 17569 1 224 . 1 1 27 27 PHE CB C 13 38.393 0.100 . 1 . . . A 181 PHE CB . 17569 1 225 . 1 1 27 27 PHE CD1 C 13 130.918 0.100 . 1 . . . A 181 PHE CD1 . 17569 1 226 . 1 1 27 27 PHE CD2 C 13 130.918 0.100 . 1 . . . A 181 PHE CD2 . 17569 1 227 . 1 1 27 27 PHE CE1 C 13 130.840 0.100 . 1 . . . A 181 PHE CE1 . 17569 1 228 . 1 1 27 27 PHE CE2 C 13 130.840 0.100 . 1 . . . A 181 PHE CE2 . 17569 1 229 . 1 1 27 27 PHE CZ C 13 128.603 0.100 . 1 . . . A 181 PHE CZ . 17569 1 230 . 1 1 28 28 GLN H H 1 7.494 0.020 . 1 . . . A 182 GLN H . 17569 1 231 . 1 1 28 28 GLN HA H 1 4.518 0.020 . 1 . . . A 182 GLN HA . 17569 1 232 . 1 1 28 28 GLN HB2 H 1 1.970 0.020 . 1 . . . A 182 GLN HB2 . 17569 1 233 . 1 1 28 28 GLN HB3 H 1 2.186 0.020 . 1 . . . A 182 GLN HB3 . 17569 1 234 . 1 1 28 28 GLN HG2 H 1 2.352 0.020 . 1 . . . A 182 GLN HG2 . 17569 1 235 . 1 1 28 28 GLN HG3 H 1 2.352 0.020 . 1 . . . A 182 GLN HG3 . 17569 1 236 . 1 1 28 28 GLN CA C 13 54.342 0.100 . 1 . . . A 182 GLN CA . 17569 1 237 . 1 1 28 28 GLN CB C 13 30.350 0.100 . 1 . . . A 182 GLN CB . 17569 1 238 . 1 1 28 28 GLN N N 15 119.300 0.100 . 1 . . . A 182 GLN N . 17569 1 239 . 1 1 29 29 LYS H H 1 8.779 0.020 . 1 . . . A 183 LYS H . 17569 1 240 . 1 1 29 29 LYS HA H 1 3.922 0.020 . 1 . . . A 183 LYS HA . 17569 1 241 . 1 1 29 29 LYS HB2 H 1 1.819 0.020 . 1 . . . A 183 LYS HB2 . 17569 1 242 . 1 1 29 29 LYS HB3 H 1 1.819 0.020 . 1 . . . A 183 LYS HB3 . 17569 1 243 . 1 1 29 29 LYS HG2 H 1 1.464 0.020 . 1 . . . A 183 LYS HG2 . 17569 1 244 . 1 1 29 29 LYS HG3 H 1 1.464 0.020 . 1 . . . A 183 LYS HG3 . 17569 1 245 . 1 1 29 29 LYS HE2 H 1 3.050 0.020 . 1 . . . A 183 LYS HE2 . 17569 1 246 . 1 1 29 29 LYS HE3 H 1 3.050 0.020 . 1 . . . A 183 LYS HE3 . 17569 1 247 . 1 1 29 29 LYS CA C 13 58.312 0.100 . 1 . . . A 183 LYS CA . 17569 1 248 . 1 1 29 29 LYS CB C 13 32.286 0.100 . 1 . . . A 183 LYS CB . 17569 1 249 . 1 1 29 29 LYS CG C 13 24.584 0.100 . 1 . . . A 183 LYS CG . 17569 1 250 . 1 1 29 29 LYS N N 15 124.516 0.100 . 1 . . . A 183 LYS N . 17569 1 251 . 1 1 30 30 ASP H H 1 8.556 0.020 . 1 . . . A 184 ASP H . 17569 1 252 . 1 1 30 30 ASP HA H 1 4.459 0.020 . 1 . . . A 184 ASP HA . 17569 1 253 . 1 1 30 30 ASP HB2 H 1 2.822 0.020 . 2 . . . A 184 ASP HB2 . 17569 1 254 . 1 1 30 30 ASP HB3 H 1 2.879 0.020 . 2 . . . A 184 ASP HB3 . 17569 1 255 . 1 1 30 30 ASP CA C 13 54.536 0.100 . 1 . . . A 184 ASP CA . 17569 1 256 . 1 1 30 30 ASP CB C 13 39.971 0.100 . 1 . . . A 184 ASP CB . 17569 1 257 . 1 1 30 30 ASP N N 15 116.500 0.100 . 1 . . . A 184 ASP N . 17569 1 258 . 1 1 31 31 SER H H 1 7.933 0.020 . 1 . . . A 185 SER H . 17569 1 259 . 1 1 31 31 SER HA H 1 4.695 0.020 . 1 . . . A 185 SER HA . 17569 1 260 . 1 1 31 31 SER HB2 H 1 4.001 0.020 . 1 . . . A 185 SER HB2 . 17569 1 261 . 1 1 31 31 SER HB3 H 1 4.001 0.020 . 1 . . . A 185 SER HB3 . 17569 1 262 . 1 1 31 31 SER CA C 13 59.747 0.100 . 1 . . . A 185 SER CA . 17569 1 263 . 1 1 31 31 SER CB C 13 65.198 0.100 . 1 . . . A 185 SER CB . 17569 1 264 . 1 1 31 31 SER N N 15 111.505 0.100 . 1 . . . A 185 SER N . 17569 1 265 . 1 1 32 32 ILE H H 1 7.105 0.020 . 1 . . . A 186 ILE H . 17569 1 266 . 1 1 32 32 ILE HA H 1 4.886 0.020 . 1 . . . A 186 ILE HA . 17569 1 267 . 1 1 32 32 ILE HB H 1 1.493 0.020 . 1 . . . A 186 ILE HB . 17569 1 268 . 1 1 32 32 ILE HG12 H 1 0.844 0.020 . 2 . . . A 186 ILE HG12 . 17569 1 269 . 1 1 32 32 ILE HG13 H 1 1.200 0.020 . 2 . . . A 186 ILE HG13 . 17569 1 270 . 1 1 32 32 ILE HG21 H 1 0.688 0.020 . 1 . . . A 186 ILE HG21 . 17569 1 271 . 1 1 32 32 ILE HG22 H 1 0.688 0.020 . 1 . . . A 186 ILE HG22 . 17569 1 272 . 1 1 32 32 ILE HG23 H 1 0.688 0.020 . 1 . . . A 186 ILE HG23 . 17569 1 273 . 1 1 32 32 ILE HD11 H 1 0.092 0.020 . 1 . . . A 186 ILE HD11 . 17569 1 274 . 1 1 32 32 ILE HD12 H 1 0.092 0.020 . 1 . . . A 186 ILE HD12 . 17569 1 275 . 1 1 32 32 ILE HD13 H 1 0.092 0.020 . 1 . . . A 186 ILE HD13 . 17569 1 276 . 1 1 32 32 ILE CA C 13 59.579 0.100 . 1 . . . A 186 ILE CA . 17569 1 277 . 1 1 32 32 ILE CB C 13 41.812 0.100 . 1 . . . A 186 ILE CB . 17569 1 278 . 1 1 32 32 ILE CG1 C 13 24.404 0.100 . 1 . . . A 186 ILE CG1 . 17569 1 279 . 1 1 32 32 ILE CG2 C 13 19.306 0.100 . 1 . . . A 186 ILE CG2 . 17569 1 280 . 1 1 32 32 ILE CD1 C 13 13.800 0.100 . 1 . . . A 186 ILE CD1 . 17569 1 281 . 1 1 32 32 ILE N N 15 113.394 0.100 . 1 . . . A 186 ILE N . 17569 1 282 . 1 1 33 33 TYR H H 1 8.954 0.020 . 1 . . . A 187 TYR H . 17569 1 283 . 1 1 33 33 TYR HA H 1 4.523 0.020 . 1 . . . A 187 TYR HA . 17569 1 284 . 1 1 33 33 TYR HB2 H 1 2.348 0.020 . 2 . . . A 187 TYR HB2 . 17569 1 285 . 1 1 33 33 TYR HB3 H 1 2.510 0.020 . 2 . . . A 187 TYR HB3 . 17569 1 286 . 1 1 33 33 TYR HD1 H 1 6.274 0.020 . 1 . . . A 187 TYR HD1 . 17569 1 287 . 1 1 33 33 TYR HD2 H 1 6.274 0.020 . 1 . . . A 187 TYR HD2 . 17569 1 288 . 1 1 33 33 TYR HE1 H 1 6.410 0.020 . 1 . . . A 187 TYR HE1 . 17569 1 289 . 1 1 33 33 TYR HE2 H 1 6.410 0.020 . 1 . . . A 187 TYR HE2 . 17569 1 290 . 1 1 33 33 TYR CA C 13 57.260 0.100 . 1 . . . A 187 TYR CA . 17569 1 291 . 1 1 33 33 TYR CB C 13 43.440 0.100 . 1 . . . A 187 TYR CB . 17569 1 292 . 1 1 33 33 TYR CD1 C 13 131.859 0.100 . 1 . . . A 187 TYR CD1 . 17569 1 293 . 1 1 33 33 TYR CD2 C 13 131.859 0.100 . 1 . . . A 187 TYR CD2 . 17569 1 294 . 1 1 33 33 TYR CE1 C 13 117.459 0.100 . 1 . . . A 187 TYR CE1 . 17569 1 295 . 1 1 33 33 TYR CE2 C 13 117.459 0.100 . 1 . . . A 187 TYR CE2 . 17569 1 296 . 1 1 33 33 TYR N N 15 119.098 0.100 . 1 . . . A 187 TYR N . 17569 1 297 . 1 1 34 34 ARG H H 1 8.412 0.020 . 1 . . . A 188 ARG H . 17569 1 298 . 1 1 34 34 ARG HA H 1 4.637 0.020 . 1 . . . A 188 ARG HA . 17569 1 299 . 1 1 34 34 ARG HB2 H 1 1.282 0.020 . 2 . . . A 188 ARG HB2 . 17569 1 300 . 1 1 34 34 ARG HB3 H 1 1.409 0.020 . 2 . . . A 188 ARG HB3 . 17569 1 301 . 1 1 34 34 ARG CA C 13 54.752 0.100 . 1 . . . A 188 ARG CA . 17569 1 302 . 1 1 34 34 ARG CB C 13 31.251 0.100 . 1 . . . A 188 ARG CB . 17569 1 303 . 1 1 34 34 ARG N N 15 118.502 0.100 . 1 . . . A 188 ARG N . 17569 1 304 . 1 1 35 35 HIS H H 1 9.813 0.020 . 1 . . . A 189 HIS H . 17569 1 305 . 1 1 35 35 HIS HA H 1 4.592 0.020 . 1 . . . A 189 HIS HA . 17569 1 306 . 1 1 35 35 HIS HB2 H 1 2.871 0.020 . 1 . . . A 189 HIS HB2 . 17569 1 307 . 1 1 35 35 HIS HB3 H 1 3.044 0.020 . 1 . . . A 189 HIS HB3 . 17569 1 308 . 1 1 35 35 HIS HD2 H 1 7.234 0.020 . 1 . . . A 189 HIS HD2 . 17569 1 309 . 1 1 35 35 HIS HE1 H 1 7.655 0.020 . 1 . . . A 189 HIS HE1 . 17569 1 310 . 1 1 35 35 HIS CA C 13 55.721 0.100 . 1 . . . A 189 HIS CA . 17569 1 311 . 1 1 35 35 HIS CB C 13 32.472 0.100 . 1 . . . A 189 HIS CB . 17569 1 312 . 1 1 35 35 HIS CD2 C 13 118.322 0.100 . 1 . . . A 189 HIS CD2 . 17569 1 313 . 1 1 35 35 HIS CE1 C 13 140.103 0.100 . 1 . . . A 189 HIS CE1 . 17569 1 314 . 1 1 35 35 HIS N N 15 126.596 0.100 . 1 . . . A 189 HIS N . 17569 1 315 . 1 1 36 36 PRO HA H 1 4.298 0.020 . 1 . . . A 190 PRO HA . 17569 1 316 . 1 1 36 36 PRO HB2 H 1 1.935 0.020 . 2 . . . A 190 PRO HB2 . 17569 1 317 . 1 1 36 36 PRO HB3 H 1 2.569 0.020 . 2 . . . A 190 PRO HB3 . 17569 1 318 . 1 1 36 36 PRO HD2 H 1 3.791 0.020 . 2 . . . A 190 PRO HD2 . 17569 1 319 . 1 1 36 36 PRO HD3 H 1 2.025 0.020 . 2 . . . A 190 PRO HD3 . 17569 1 320 . 1 1 36 36 PRO CA C 13 65.276 0.100 . 1 . . . A 190 PRO CA . 17569 1 321 . 1 1 36 36 PRO CB C 13 32.851 0.100 . 1 . . . A 190 PRO CB . 17569 1 322 . 1 1 36 36 PRO CD C 13 49.862 0.100 . 1 . . . A 190 PRO CD . 17569 1 323 . 1 1 37 37 SER H H 1 8.934 0.020 . 1 . . . A 191 SER H . 17569 1 324 . 1 1 37 37 SER HA H 1 4.918 0.020 . 1 . . . A 191 SER HA . 17569 1 325 . 1 1 37 37 SER HB2 H 1 3.809 0.020 . 2 . . . A 191 SER HB2 . 17569 1 326 . 1 1 37 37 SER HB3 H 1 3.920 0.020 . 2 . . . A 191 SER HB3 . 17569 1 327 . 1 1 37 37 SER CA C 13 59.031 0.100 . 1 . . . A 191 SER CA . 17569 1 328 . 1 1 37 37 SER CB C 13 65.104 0.100 . 1 . . . A 191 SER CB . 17569 1 329 . 1 1 37 37 SER N N 15 110.003 0.100 . 1 . . . A 191 SER N . 17569 1 330 . 1 1 38 38 LEU H H 1 8.649 0.020 . 1 . . . A 192 LEU H . 17569 1 331 . 1 1 38 38 LEU HA H 1 4.129 0.020 . 1 . . . A 192 LEU HA . 17569 1 332 . 1 1 38 38 LEU HB2 H 1 0.605 0.020 . 2 . . . A 192 LEU HB2 . 17569 1 333 . 1 1 38 38 LEU HB3 H 1 0.754 0.020 . 2 . . . A 192 LEU HB3 . 17569 1 334 . 1 1 38 38 LEU HG H 1 0.733 0.020 . 1 . . . A 192 LEU HG . 17569 1 335 . 1 1 38 38 LEU HD11 H 1 -0.634 0.020 . 2 . . . A 192 LEU HD11 . 17569 1 336 . 1 1 38 38 LEU HD12 H 1 -0.634 0.020 . 2 . . . A 192 LEU HD12 . 17569 1 337 . 1 1 38 38 LEU HD13 H 1 -0.634 0.020 . 2 . . . A 192 LEU HD13 . 17569 1 338 . 1 1 38 38 LEU HD21 H 1 0.393 0.020 . 2 . . . A 192 LEU HD21 . 17569 1 339 . 1 1 38 38 LEU HD22 H 1 0.393 0.020 . 2 . . . A 192 LEU HD22 . 17569 1 340 . 1 1 38 38 LEU HD23 H 1 0.393 0.020 . 2 . . . A 192 LEU HD23 . 17569 1 341 . 1 1 38 38 LEU CA C 13 55.146 0.100 . 1 . . . A 192 LEU CA . 17569 1 342 . 1 1 38 38 LEU CB C 13 43.996 0.100 . 1 . . . A 192 LEU CB . 17569 1 343 . 1 1 38 38 LEU CG C 13 26.662 0.100 . 1 . . . A 192 LEU CG . 17569 1 344 . 1 1 38 38 LEU CD1 C 13 24.560 0.100 . 2 . . . A 192 LEU CD1 . 17569 1 345 . 1 1 38 38 LEU CD2 C 13 22.505 0.100 . 2 . . . A 192 LEU CD2 . 17569 1 346 . 1 1 38 38 LEU N N 15 120.959 0.100 . 1 . . . A 192 LEU N . 17569 1 347 . 1 1 39 39 GLN H H 1 8.465 0.020 . 1 . . . A 193 GLN H . 17569 1 348 . 1 1 39 39 GLN HA H 1 3.905 0.020 . 1 . . . A 193 GLN HA . 17569 1 349 . 1 1 39 39 GLN HB2 H 1 2.349 0.020 . 2 . . . A 193 GLN HB2 . 17569 1 350 . 1 1 39 39 GLN HB3 H 1 2.464 0.020 . 2 . . . A 193 GLN HB3 . 17569 1 351 . 1 1 39 39 GLN HG2 H 1 2.045 0.020 . 2 . . . A 193 GLN HG2 . 17569 1 352 . 1 1 39 39 GLN HG3 H 1 2.317 0.020 . 2 . . . A 193 GLN HG3 . 17569 1 353 . 1 1 39 39 GLN HE21 H 1 6.584 0.020 . 2 . . . A 193 GLN HE21 . 17569 1 354 . 1 1 39 39 GLN HE22 H 1 7.042 0.020 . 2 . . . A 193 GLN HE22 . 17569 1 355 . 1 1 39 39 GLN CA C 13 56.814 0.100 . 1 . . . A 193 GLN CA . 17569 1 356 . 1 1 39 39 GLN CB C 13 25.034 0.100 . 1 . . . A 193 GLN CB . 17569 1 357 . 1 1 39 39 GLN CG C 13 33.158 0.100 . 1 . . . A 193 GLN CG . 17569 1 358 . 1 1 39 39 GLN N N 15 108.600 0.100 . 1 . . . A 193 GLN N . 17569 1 359 . 1 1 39 39 GLN NE2 N 15 112.099 0.100 . 1 . . . A 193 GLN NE2 . 17569 1 360 . 1 1 40 40 VAL H H 1 6.256 0.020 . 1 . . . A 194 VAL H . 17569 1 361 . 1 1 40 40 VAL HA H 1 4.550 0.020 . 1 . . . A 194 VAL HA . 17569 1 362 . 1 1 40 40 VAL HB H 1 2.651 0.020 . 1 . . . A 194 VAL HB . 17569 1 363 . 1 1 40 40 VAL HG11 H 1 0.619 0.020 . 2 . . . A 194 VAL HG11 . 17569 1 364 . 1 1 40 40 VAL HG12 H 1 0.619 0.020 . 2 . . . A 194 VAL HG12 . 17569 1 365 . 1 1 40 40 VAL HG13 H 1 0.619 0.020 . 2 . . . A 194 VAL HG13 . 17569 1 366 . 1 1 40 40 VAL HG21 H 1 0.749 0.020 . 2 . . . A 194 VAL HG21 . 17569 1 367 . 1 1 40 40 VAL HG22 H 1 0.749 0.020 . 2 . . . A 194 VAL HG22 . 17569 1 368 . 1 1 40 40 VAL HG23 H 1 0.749 0.020 . 2 . . . A 194 VAL HG23 . 17569 1 369 . 1 1 40 40 VAL CA C 13 58.641 0.100 . 1 . . . A 194 VAL CA . 17569 1 370 . 1 1 40 40 VAL CG1 C 13 18.350 0.100 . 2 . . . A 194 VAL CG1 . 17569 1 371 . 1 1 40 40 VAL CG2 C 13 22.570 0.100 . 2 . . . A 194 VAL CG2 . 17569 1 372 . 1 1 40 40 VAL N N 15 105.325 0.100 . 1 . . . A 194 VAL N . 17569 1 373 . 1 1 41 41 LEU H H 1 9.154 0.020 . 1 . . . A 195 LEU H . 17569 1 374 . 1 1 41 41 LEU HA H 1 4.816 0.020 . 1 . . . A 195 LEU HA . 17569 1 375 . 1 1 41 41 LEU HB2 H 1 1.691 0.020 . 1 . . . A 195 LEU HB2 . 17569 1 376 . 1 1 41 41 LEU HB3 H 1 2.037 0.020 . 1 . . . A 195 LEU HB3 . 17569 1 377 . 1 1 41 41 LEU HD11 H 1 0.887 0.020 . 2 . . . A 195 LEU HD11 . 17569 1 378 . 1 1 41 41 LEU HD12 H 1 0.887 0.020 . 2 . . . A 195 LEU HD12 . 17569 1 379 . 1 1 41 41 LEU HD13 H 1 0.887 0.020 . 2 . . . A 195 LEU HD13 . 17569 1 380 . 1 1 41 41 LEU HD21 H 1 1.032 0.020 . 2 . . . A 195 LEU HD21 . 17569 1 381 . 1 1 41 41 LEU HD22 H 1 1.032 0.020 . 2 . . . A 195 LEU HD22 . 17569 1 382 . 1 1 41 41 LEU HD23 H 1 1.032 0.020 . 2 . . . A 195 LEU HD23 . 17569 1 383 . 1 1 41 41 LEU CA C 13 58.182 0.100 . 1 . . . A 195 LEU CA . 17569 1 384 . 1 1 41 41 LEU CB C 13 43.570 0.100 . 1 . . . A 195 LEU CB . 17569 1 385 . 1 1 41 41 LEU CD1 C 13 25.283 0.100 . 2 . . . A 195 LEU CD1 . 17569 1 386 . 1 1 41 41 LEU CD2 C 13 26.804 0.100 . 2 . . . A 195 LEU CD2 . 17569 1 387 . 1 1 41 41 LEU N N 15 123.100 0.100 . 1 . . . A 195 LEU N . 17569 1 388 . 1 1 42 42 ILE H H 1 9.766 0.020 . 1 . . . A 196 ILE H . 17569 1 389 . 1 1 42 42 ILE HA H 1 6.352 0.020 . 1 . . . A 196 ILE HA . 17569 1 390 . 1 1 42 42 ILE HB H 1 2.371 0.020 . 1 . . . A 196 ILE HB . 17569 1 391 . 1 1 42 42 ILE HG21 H 1 1.403 0.020 . 1 . . . A 196 ILE HG21 . 17569 1 392 . 1 1 42 42 ILE HG22 H 1 1.403 0.020 . 1 . . . A 196 ILE HG22 . 17569 1 393 . 1 1 42 42 ILE HG23 H 1 1.403 0.020 . 1 . . . A 196 ILE HG23 . 17569 1 394 . 1 1 42 42 ILE HD11 H 1 0.940 0.020 . 1 . . . A 196 ILE HD11 . 17569 1 395 . 1 1 42 42 ILE HD12 H 1 0.940 0.020 . 1 . . . A 196 ILE HD12 . 17569 1 396 . 1 1 42 42 ILE HD13 H 1 0.940 0.020 . 1 . . . A 196 ILE HD13 . 17569 1 397 . 1 1 42 42 ILE CA C 13 59.230 0.100 . 1 . . . A 196 ILE CA . 17569 1 398 . 1 1 42 42 ILE CB C 13 43.270 0.100 . 1 . . . A 196 ILE CB . 17569 1 399 . 1 1 42 42 ILE CG2 C 13 19.266 0.100 . 1 . . . A 196 ILE CG2 . 17569 1 400 . 1 1 42 42 ILE CD1 C 13 13.763 0.100 . 1 . . . A 196 ILE CD1 . 17569 1 401 . 1 1 42 42 ILE N N 15 124.396 0.100 . 1 . . . A 196 ILE N . 17569 1 402 . 1 1 43 43 CYS H H 1 9.882 0.020 . 1 . . . A 197 CYS H . 17569 1 403 . 1 1 43 43 CYS HA H 1 5.262 0.020 . 1 . . . A 197 CYS HA . 17569 1 404 . 1 1 43 43 CYS HB2 H 1 2.953 0.020 . 1 . . . A 197 CYS HB2 . 17569 1 405 . 1 1 43 43 CYS HB3 H 1 3.817 0.020 . 1 . . . A 197 CYS HB3 . 17569 1 406 . 1 1 43 43 CYS CA C 13 56.703 0.100 . 1 . . . A 197 CYS CA . 17569 1 407 . 1 1 43 43 CYS CB C 13 33.300 0.100 . 1 . . . A 197 CYS CB . 17569 1 408 . 1 1 43 43 CYS N N 15 121.500 0.100 . 1 . . . A 197 CYS N . 17569 1 409 . 1 1 44 44 LYS H H 1 8.089 0.020 . 1 . . . A 198 LYS H . 17569 1 410 . 1 1 44 44 LYS HA H 1 3.989 0.020 . 1 . . . A 198 LYS HA . 17569 1 411 . 1 1 44 44 LYS HB2 H 1 2.078 0.020 . 2 . . . A 198 LYS HB2 . 17569 1 412 . 1 1 44 44 LYS HB3 H 1 2.284 0.020 . 2 . . . A 198 LYS HB3 . 17569 1 413 . 1 1 44 44 LYS HG2 H 1 1.541 0.020 . 1 . . . A 198 LYS HG2 . 17569 1 414 . 1 1 44 44 LYS HG3 H 1 1.541 0.020 . 1 . . . A 198 LYS HG3 . 17569 1 415 . 1 1 44 44 LYS HD2 H 1 1.943 0.020 . 1 . . . A 198 LYS HD2 . 17569 1 416 . 1 1 44 44 LYS HD3 H 1 1.943 0.020 . 1 . . . A 198 LYS HD3 . 17569 1 417 . 1 1 44 44 LYS CA C 13 59.660 0.100 . 1 . . . A 198 LYS CA . 17569 1 418 . 1 1 44 44 LYS CB C 13 32.700 0.100 . 1 . . . A 198 LYS CB . 17569 1 419 . 1 1 44 44 LYS N N 15 117.995 0.100 . 1 . . . A 198 LYS N . 17569 1 420 . 1 1 45 45 ASN H H 1 8.356 0.020 . 1 . . . A 199 ASN H . 17569 1 421 . 1 1 45 45 ASN HA H 1 4.514 0.020 . 1 . . . A 199 ASN HA . 17569 1 422 . 1 1 45 45 ASN HB2 H 1 2.910 0.020 . 1 . . . A 199 ASN HB2 . 17569 1 423 . 1 1 45 45 ASN HB3 H 1 3.097 0.020 . 1 . . . A 199 ASN HB3 . 17569 1 424 . 1 1 45 45 ASN HD21 H 1 7.087 0.020 . 2 . . . A 199 ASN HD21 . 17569 1 425 . 1 1 45 45 ASN HD22 H 1 7.969 0.020 . 2 . . . A 199 ASN HD22 . 17569 1 426 . 1 1 45 45 ASN CA C 13 56.720 0.100 . 1 . . . A 199 ASN CA . 17569 1 427 . 1 1 45 45 ASN CB C 13 38.167 0.100 . 1 . . . A 199 ASN CB . 17569 1 428 . 1 1 45 45 ASN N N 15 119.200 0.100 . 1 . . . A 199 ASN N . 17569 1 429 . 1 1 45 45 ASN ND2 N 15 114.154 0.100 . 1 . . . A 199 ASN ND2 . 17569 1 430 . 1 1 46 46 CYS H H 1 9.189 0.020 . 1 . . . A 200 CYS H . 17569 1 431 . 1 1 46 46 CYS HA H 1 4.181 0.020 . 1 . . . A 200 CYS HA . 17569 1 432 . 1 1 46 46 CYS HB2 H 1 3.114 0.020 . 1 . . . A 200 CYS HB2 . 17569 1 433 . 1 1 46 46 CYS HB3 H 1 3.219 0.020 . 1 . . . A 200 CYS HB3 . 17569 1 434 . 1 1 46 46 CYS CA C 13 65.495 0.100 . 1 . . . A 200 CYS CA . 17569 1 435 . 1 1 46 46 CYS CB C 13 28.182 0.100 . 1 . . . A 200 CYS CB . 17569 1 436 . 1 1 46 46 CYS N N 15 126.600 0.100 . 1 . . . A 200 CYS N . 17569 1 437 . 1 1 47 47 PHE H H 1 8.826 0.020 . 1 . . . A 201 PHE H . 17569 1 438 . 1 1 47 47 PHE HA H 1 3.870 0.020 . 1 . . . A 201 PHE HA . 17569 1 439 . 1 1 47 47 PHE HB2 H 1 2.549 0.020 . 2 . . . A 201 PHE HB2 . 17569 1 440 . 1 1 47 47 PHE HB3 H 1 2.582 0.020 . 2 . . . A 201 PHE HB3 . 17569 1 441 . 1 1 47 47 PHE HD1 H 1 6.599 0.020 . 1 . . . A 201 PHE HD1 . 17569 1 442 . 1 1 47 47 PHE HD2 H 1 6.599 0.020 . 1 . . . A 201 PHE HD2 . 17569 1 443 . 1 1 47 47 PHE HE1 H 1 7.245 0.020 . 1 . . . A 201 PHE HE1 . 17569 1 444 . 1 1 47 47 PHE HE2 H 1 7.245 0.020 . 1 . . . A 201 PHE HE2 . 17569 1 445 . 1 1 47 47 PHE HZ H 1 7.346 0.020 . 1 . . . A 201 PHE HZ . 17569 1 446 . 1 1 47 47 PHE CA C 13 62.269 0.100 . 1 . . . A 201 PHE CA . 17569 1 447 . 1 1 47 47 PHE CB C 13 39.167 0.100 . 1 . . . A 201 PHE CB . 17569 1 448 . 1 1 47 47 PHE CD1 C 13 130.720 0.100 . 1 . . . A 201 PHE CD1 . 17569 1 449 . 1 1 47 47 PHE CD2 C 13 130.720 0.100 . 1 . . . A 201 PHE CD2 . 17569 1 450 . 1 1 47 47 PHE CE1 C 13 131.121 0.100 . 1 . . . A 201 PHE CE1 . 17569 1 451 . 1 1 47 47 PHE CE2 C 13 131.121 0.100 . 1 . . . A 201 PHE CE2 . 17569 1 452 . 1 1 47 47 PHE CZ C 13 129.509 0.100 . 1 . . . A 201 PHE CZ . 17569 1 453 . 1 1 47 47 PHE N N 15 121.962 0.100 . 1 . . . A 201 PHE N . 17569 1 454 . 1 1 48 48 LYS H H 1 8.512 0.020 . 1 . . . A 202 LYS H . 17569 1 455 . 1 1 48 48 LYS HA H 1 3.698 0.020 . 1 . . . A 202 LYS HA . 17569 1 456 . 1 1 48 48 LYS HB2 H 1 1.894 0.020 . 2 . . . A 202 LYS HB2 . 17569 1 457 . 1 1 48 48 LYS HB3 H 1 2.015 0.020 . 2 . . . A 202 LYS HB3 . 17569 1 458 . 1 1 48 48 LYS HE2 H 1 3.058 0.020 . 1 . . . A 202 LYS HE2 . 17569 1 459 . 1 1 48 48 LYS HE3 H 1 3.058 0.020 . 1 . . . A 202 LYS HE3 . 17569 1 460 . 1 1 48 48 LYS CA C 13 58.952 0.100 . 1 . . . A 202 LYS CA . 17569 1 461 . 1 1 48 48 LYS CB C 13 31.542 0.100 . 1 . . . A 202 LYS CB . 17569 1 462 . 1 1 48 48 LYS N N 15 117.400 0.100 . 1 . . . A 202 LYS N . 17569 1 463 . 1 1 49 49 TYR H H 1 8.133 0.020 . 1 . . . A 203 TYR H . 17569 1 464 . 1 1 49 49 TYR HA H 1 4.414 0.020 . 1 . . . A 203 TYR HA . 17569 1 465 . 1 1 49 49 TYR HB2 H 1 3.110 0.020 . 1 . . . A 203 TYR HB2 . 17569 1 466 . 1 1 49 49 TYR HB3 H 1 3.304 0.020 . 1 . . . A 203 TYR HB3 . 17569 1 467 . 1 1 49 49 TYR HD1 H 1 7.299 0.020 . 1 . . . A 203 TYR HD1 . 17569 1 468 . 1 1 49 49 TYR HD2 H 1 7.299 0.020 . 1 . . . A 203 TYR HD2 . 17569 1 469 . 1 1 49 49 TYR HE1 H 1 6.794 0.020 . 1 . . . A 203 TYR HE1 . 17569 1 470 . 1 1 49 49 TYR HE2 H 1 6.794 0.020 . 1 . . . A 203 TYR HE2 . 17569 1 471 . 1 1 49 49 TYR CA C 13 60.772 0.100 . 1 . . . A 203 TYR CA . 17569 1 472 . 1 1 49 49 TYR CB C 13 38.446 0.100 . 1 . . . A 203 TYR CB . 17569 1 473 . 1 1 49 49 TYR CD1 C 13 132.550 0.100 . 1 . . . A 203 TYR CD1 . 17569 1 474 . 1 1 49 49 TYR CD2 C 13 132.550 0.100 . 1 . . . A 203 TYR CD2 . 17569 1 475 . 1 1 49 49 TYR CE1 C 13 119.239 0.100 . 1 . . . A 203 TYR CE1 . 17569 1 476 . 1 1 49 49 TYR CE2 C 13 119.239 0.100 . 1 . . . A 203 TYR CE2 . 17569 1 477 . 1 1 49 49 TYR N N 15 120.400 0.100 . 1 . . . A 203 TYR N . 17569 1 478 . 1 1 50 50 TYR H H 1 8.765 0.020 . 1 . . . A 204 TYR H . 17569 1 479 . 1 1 50 50 TYR HA H 1 3.495 0.020 . 1 . . . A 204 TYR HA . 17569 1 480 . 1 1 50 50 TYR HB2 H 1 2.870 0.020 . 2 . . . A 204 TYR HB2 . 17569 1 481 . 1 1 50 50 TYR HB3 H 1 3.099 0.020 . 2 . . . A 204 TYR HB3 . 17569 1 482 . 1 1 50 50 TYR HD1 H 1 6.803 0.020 . 1 . . . A 204 TYR HD1 . 17569 1 483 . 1 1 50 50 TYR HD2 H 1 6.803 0.020 . 1 . . . A 204 TYR HD2 . 17569 1 484 . 1 1 50 50 TYR HE1 H 1 7.157 0.020 . 1 . . . A 204 TYR HE1 . 17569 1 485 . 1 1 50 50 TYR HE2 H 1 7.157 0.020 . 1 . . . A 204 TYR HE2 . 17569 1 486 . 1 1 50 50 TYR CA C 13 61.950 0.100 . 1 . . . A 204 TYR CA . 17569 1 487 . 1 1 50 50 TYR CB C 13 38.492 0.100 . 1 . . . A 204 TYR CB . 17569 1 488 . 1 1 50 50 TYR CD1 C 13 132.700 0.100 . 1 . . . A 204 TYR CD1 . 17569 1 489 . 1 1 50 50 TYR CD2 C 13 132.700 0.100 . 1 . . . A 204 TYR CD2 . 17569 1 490 . 1 1 50 50 TYR CE1 C 13 117.836 0.100 . 1 . . . A 204 TYR CE1 . 17569 1 491 . 1 1 50 50 TYR CE2 C 13 117.836 0.100 . 1 . . . A 204 TYR CE2 . 17569 1 492 . 1 1 50 50 TYR N N 15 121.783 0.100 . 1 . . . A 204 TYR N . 17569 1 493 . 1 1 51 51 MET H H 1 7.771 0.020 . 1 . . . A 205 MET H . 17569 1 494 . 1 1 51 51 MET HA H 1 4.349 0.020 . 1 . . . A 205 MET HA . 17569 1 495 . 1 1 51 51 MET HB2 H 1 1.656 0.020 . 2 . . . A 205 MET HB2 . 17569 1 496 . 1 1 51 51 MET HB3 H 1 1.856 0.020 . 2 . . . A 205 MET HB3 . 17569 1 497 . 1 1 51 51 MET HE1 H 1 2.026 0.020 . 1 . . . A 205 MET HE1 . 17569 1 498 . 1 1 51 51 MET HE2 H 1 2.026 0.020 . 1 . . . A 205 MET HE2 . 17569 1 499 . 1 1 51 51 MET HE3 H 1 2.026 0.020 . 1 . . . A 205 MET HE3 . 17569 1 500 . 1 1 51 51 MET CA C 13 53.505 0.100 . 1 . . . A 205 MET CA . 17569 1 501 . 1 1 51 51 MET CB C 13 30.384 0.100 . 1 . . . A 205 MET CB . 17569 1 502 . 1 1 51 51 MET CE C 13 15.527 0.100 . 1 . . . A 205 MET CE . 17569 1 503 . 1 1 51 51 MET N N 15 110.800 0.100 . 1 . . . A 205 MET N . 17569 1 504 . 1 1 52 52 SER H H 1 7.581 0.020 . 1 . . . A 206 SER H . 17569 1 505 . 1 1 52 52 SER HA H 1 3.919 0.020 . 1 . . . A 206 SER HA . 17569 1 506 . 1 1 52 52 SER HB2 H 1 3.824 0.020 . 2 . . . A 206 SER HB2 . 17569 1 507 . 1 1 52 52 SER HB3 H 1 4.231 0.020 . 2 . . . A 206 SER HB3 . 17569 1 508 . 1 1 52 52 SER CA C 13 61.621 0.100 . 1 . . . A 206 SER CA . 17569 1 509 . 1 1 52 52 SER CB C 13 62.611 0.100 . 1 . . . A 206 SER CB . 17569 1 510 . 1 1 52 52 SER N N 15 116.800 0.100 . 1 . . . A 206 SER N . 17569 1 511 . 1 1 53 53 ASP H H 1 7.085 0.020 . 1 . . . A 207 ASP H . 17569 1 512 . 1 1 53 53 ASP HA H 1 4.572 0.020 . 1 . . . A 207 ASP HA . 17569 1 513 . 1 1 53 53 ASP HB2 H 1 2.136 0.020 . 2 . . . A 207 ASP HB2 . 17569 1 514 . 1 1 53 53 ASP HB3 H 1 2.600 0.020 . 2 . . . A 207 ASP HB3 . 17569 1 515 . 1 1 53 53 ASP CA C 13 53.099 0.100 . 1 . . . A 207 ASP CA . 17569 1 516 . 1 1 53 53 ASP CB C 13 43.188 0.100 . 1 . . . A 207 ASP CB . 17569 1 517 . 1 1 53 53 ASP N N 15 117.400 0.100 . 1 . . . A 207 ASP N . 17569 1 518 . 1 1 54 54 ASP H H 1 8.439 0.020 . 1 . . . A 208 ASP H . 17569 1 519 . 1 1 54 54 ASP HA H 1 4.389 0.020 . 1 . . . A 208 ASP HA . 17569 1 520 . 1 1 54 54 ASP HB2 H 1 2.377 0.020 . 1 . . . A 208 ASP HB2 . 17569 1 521 . 1 1 54 54 ASP HB3 H 1 2.502 0.020 . 1 . . . A 208 ASP HB3 . 17569 1 522 . 1 1 54 54 ASP CA C 13 53.900 0.100 . 1 . . . A 208 ASP CA . 17569 1 523 . 1 1 54 54 ASP CB C 13 41.349 0.100 . 1 . . . A 208 ASP CB . 17569 1 524 . 1 1 54 54 ASP N N 15 119.405 0.100 . 1 . . . A 208 ASP N . 17569 1 525 . 1 1 55 55 ILE H H 1 8.128 0.020 . 1 . . . A 209 ILE H . 17569 1 526 . 1 1 55 55 ILE HA H 1 4.000 0.020 . 1 . . . A 209 ILE HA . 17569 1 527 . 1 1 55 55 ILE HB H 1 1.592 0.020 . 1 . . . A 209 ILE HB . 17569 1 528 . 1 1 55 55 ILE HG12 H 1 0.872 0.020 . 2 . . . A 209 ILE HG12 . 17569 1 529 . 1 1 55 55 ILE HG13 H 1 1.759 0.020 . 2 . . . A 209 ILE HG13 . 17569 1 530 . 1 1 55 55 ILE HG21 H 1 1.038 0.020 . 1 . . . A 209 ILE HG21 . 17569 1 531 . 1 1 55 55 ILE HG22 H 1 1.038 0.020 . 1 . . . A 209 ILE HG22 . 17569 1 532 . 1 1 55 55 ILE HG23 H 1 1.038 0.020 . 1 . . . A 209 ILE HG23 . 17569 1 533 . 1 1 55 55 ILE HD11 H 1 0.735 0.020 . 1 . . . A 209 ILE HD11 . 17569 1 534 . 1 1 55 55 ILE HD12 H 1 0.735 0.020 . 1 . . . A 209 ILE HD12 . 17569 1 535 . 1 1 55 55 ILE HD13 H 1 0.735 0.020 . 1 . . . A 209 ILE HD13 . 17569 1 536 . 1 1 55 55 ILE CA C 13 62.278 0.100 . 1 . . . A 209 ILE CA . 17569 1 537 . 1 1 55 55 ILE CB C 13 39.291 0.100 . 1 . . . A 209 ILE CB . 17569 1 538 . 1 1 55 55 ILE CG1 C 13 28.432 0.100 . 1 . . . A 209 ILE CG1 . 17569 1 539 . 1 1 55 55 ILE CG2 C 13 15.927 0.100 . 1 . . . A 209 ILE CG2 . 17569 1 540 . 1 1 55 55 ILE CD1 C 13 12.770 0.100 . 1 . . . A 209 ILE CD1 . 17569 1 541 . 1 1 55 55 ILE N N 15 124.698 0.100 . 1 . . . A 209 ILE N . 17569 1 542 . 1 1 56 56 SER H H 1 8.815 0.020 . 1 . . . A 210 SER H . 17569 1 543 . 1 1 56 56 SER HA H 1 4.365 0.020 . 1 . . . A 210 SER HA . 17569 1 544 . 1 1 56 56 SER HB2 H 1 3.907 0.020 . 2 . . . A 210 SER HB2 . 17569 1 545 . 1 1 56 56 SER HB3 H 1 4.130 0.020 . 2 . . . A 210 SER HB3 . 17569 1 546 . 1 1 56 56 SER CA C 13 57.769 0.100 . 1 . . . A 210 SER CA . 17569 1 547 . 1 1 56 56 SER CB C 13 64.991 0.100 . 1 . . . A 210 SER CB . 17569 1 548 . 1 1 56 56 SER N N 15 126.703 0.100 . 1 . . . A 210 SER N . 17569 1 549 . 1 1 57 57 ARG H H 1 8.365 0.020 . 1 . . . A 211 ARG H . 17569 1 550 . 1 1 57 57 ARG HA H 1 5.042 0.020 . 1 . . . A 211 ARG HA . 17569 1 551 . 1 1 57 57 ARG HB2 H 1 1.485 0.020 . 2 . . . A 211 ARG HB2 . 17569 1 552 . 1 1 57 57 ARG HB3 H 1 1.616 0.020 . 2 . . . A 211 ARG HB3 . 17569 1 553 . 1 1 57 57 ARG HG2 H 1 1.490 0.020 . 2 . . . A 211 ARG HG2 . 17569 1 554 . 1 1 57 57 ARG HG3 H 1 1.874 0.020 . 2 . . . A 211 ARG HG3 . 17569 1 555 . 1 1 57 57 ARG HD2 H 1 2.953 0.020 . 1 . . . A 211 ARG HD2 . 17569 1 556 . 1 1 57 57 ARG HD3 H 1 2.953 0.020 . 1 . . . A 211 ARG HD3 . 17569 1 557 . 1 1 57 57 ARG CA C 13 54.400 0.100 . 1 . . . A 211 ARG CA . 17569 1 558 . 1 1 57 57 ARG CB C 13 34.284 0.100 . 1 . . . A 211 ARG CB . 17569 1 559 . 1 1 57 57 ARG CG C 13 26.800 0.100 . 1 . . . A 211 ARG CG . 17569 1 560 . 1 1 57 57 ARG N N 15 116.885 0.100 . 1 . . . A 211 ARG N . 17569 1 561 . 1 1 58 58 ASP H H 1 8.706 0.020 . 1 . . . A 212 ASP H . 17569 1 562 . 1 1 58 58 ASP HA H 1 4.615 0.020 . 1 . . . A 212 ASP HA . 17569 1 563 . 1 1 58 58 ASP HB2 H 1 2.814 0.020 . 2 . . . A 212 ASP HB2 . 17569 1 564 . 1 1 58 58 ASP HB3 H 1 3.346 0.020 . 2 . . . A 212 ASP HB3 . 17569 1 565 . 1 1 58 58 ASP CA C 13 52.222 0.100 . 1 . . . A 212 ASP CA . 17569 1 566 . 1 1 58 58 ASP CB C 13 41.502 0.100 . 1 . . . A 212 ASP CB . 17569 1 567 . 1 1 58 58 ASP N N 15 121.982 0.100 . 1 . . . A 212 ASP N . 17569 1 568 . 1 1 59 59 SER H H 1 8.687 0.020 . 1 . . . A 213 SER H . 17569 1 569 . 1 1 59 59 SER HA H 1 4.212 0.020 . 1 . . . A 213 SER HA . 17569 1 570 . 1 1 59 59 SER HB2 H 1 3.952 0.020 . 2 . . . A 213 SER HB2 . 17569 1 571 . 1 1 59 59 SER HB3 H 1 4.047 0.020 . 2 . . . A 213 SER HB3 . 17569 1 572 . 1 1 59 59 SER CA C 13 60.840 0.100 . 1 . . . A 213 SER CA . 17569 1 573 . 1 1 59 59 SER CB C 13 62.714 0.100 . 1 . . . A 213 SER CB . 17569 1 574 . 1 1 59 59 SER N N 15 114.164 0.100 . 1 . . . A 213 SER N . 17569 1 575 . 1 1 60 60 ASP H H 1 8.193 0.020 . 1 . . . A 214 ASP H . 17569 1 576 . 1 1 60 60 ASP HA H 1 4.825 0.020 . 1 . . . A 214 ASP HA . 17569 1 577 . 1 1 60 60 ASP HB2 H 1 2.727 0.020 . 2 . . . A 214 ASP HB2 . 17569 1 578 . 1 1 60 60 ASP HB3 H 1 2.863 0.020 . 2 . . . A 214 ASP HB3 . 17569 1 579 . 1 1 60 60 ASP CA C 13 54.211 0.100 . 1 . . . A 214 ASP CA . 17569 1 580 . 1 1 60 60 ASP CB C 13 41.558 0.100 . 1 . . . A 214 ASP CB . 17569 1 581 . 1 1 60 60 ASP N N 15 120.899 0.100 . 1 . . . A 214 ASP N . 17569 1 582 . 1 1 61 61 GLY H H 1 8.234 0.020 . 1 . . . A 215 GLY H . 17569 1 583 . 1 1 61 61 GLY HA2 H 1 3.600 0.020 . 2 . . . A 215 GLY HA2 . 17569 1 584 . 1 1 61 61 GLY HA3 H 1 4.226 0.020 . 2 . . . A 215 GLY HA3 . 17569 1 585 . 1 1 61 61 GLY CA C 13 45.397 0.100 . 1 . . . A 215 GLY CA . 17569 1 586 . 1 1 61 61 GLY N N 15 108.300 0.100 . 1 . . . A 215 GLY N . 17569 1 587 . 1 1 62 62 MET H H 1 8.376 0.020 . 1 . . . A 216 MET H . 17569 1 588 . 1 1 62 62 MET HA H 1 4.972 0.020 . 1 . . . A 216 MET HA . 17569 1 589 . 1 1 62 62 MET HB2 H 1 2.110 0.020 . 2 . . . A 216 MET HB2 . 17569 1 590 . 1 1 62 62 MET HB3 H 1 2.329 0.020 . 2 . . . A 216 MET HB3 . 17569 1 591 . 1 1 62 62 MET HE1 H 1 2.225 0.020 . 1 . . . A 216 MET HE1 . 17569 1 592 . 1 1 62 62 MET HE2 H 1 2.225 0.020 . 1 . . . A 216 MET HE2 . 17569 1 593 . 1 1 62 62 MET HE3 H 1 2.225 0.020 . 1 . . . A 216 MET HE3 . 17569 1 594 . 1 1 62 62 MET CA C 13 53.151 0.100 . 1 . . . A 216 MET CA . 17569 1 595 . 1 1 62 62 MET CB C 13 32.311 0.100 . 1 . . . A 216 MET CB . 17569 1 596 . 1 1 62 62 MET CE C 13 16.744 0.100 . 1 . . . A 216 MET CE . 17569 1 597 . 1 1 62 62 MET N N 15 120.002 0.100 . 1 . . . A 216 MET N . 17569 1 598 . 1 1 63 63 ASP H H 1 9.368 0.020 . 1 . . . A 217 ASP H . 17569 1 599 . 1 1 63 63 ASP HA H 1 4.966 0.020 . 1 . . . A 217 ASP HA . 17569 1 600 . 1 1 63 63 ASP HB2 H 1 2.722 0.020 . 1 . . . A 217 ASP HB2 . 17569 1 601 . 1 1 63 63 ASP HB3 H 1 2.722 0.020 . 1 . . . A 217 ASP HB3 . 17569 1 602 . 1 1 63 63 ASP CA C 13 55.569 0.100 . 1 . . . A 217 ASP CA . 17569 1 603 . 1 1 63 63 ASP N N 15 127.300 0.100 . 1 . . . A 217 ASP N . 17569 1 604 . 1 1 64 64 GLU H H 1 8.583 0.020 . 1 . . . A 218 GLU H . 17569 1 605 . 1 1 64 64 GLU HA H 1 4.156 0.020 . 1 . . . A 218 GLU HA . 17569 1 606 . 1 1 64 64 GLU HB2 H 1 2.097 0.020 . 2 . . . A 218 GLU HB2 . 17569 1 607 . 1 1 64 64 GLU HB3 H 1 2.145 0.020 . 2 . . . A 218 GLU HB3 . 17569 1 608 . 1 1 64 64 GLU CA C 13 55.850 0.100 . 1 . . . A 218 GLU CA . 17569 1 609 . 1 1 64 64 GLU N N 15 114.400 0.100 . 1 . . . A 218 GLU N . 17569 1 610 . 1 1 65 65 GLN H H 1 7.158 0.020 . 1 . . . A 219 GLN H . 17569 1 611 . 1 1 65 65 GLN HA H 1 4.311 0.020 . 1 . . . A 219 GLN HA . 17569 1 612 . 1 1 65 65 GLN HB2 H 1 2.113 0.020 . 2 . . . A 219 GLN HB2 . 17569 1 613 . 1 1 65 65 GLN HB3 H 1 2.195 0.020 . 2 . . . A 219 GLN HB3 . 17569 1 614 . 1 1 65 65 GLN HG2 H 1 2.750 0.020 . 1 . . . A 219 GLN HG2 . 17569 1 615 . 1 1 65 65 GLN HG3 H 1 2.750 0.020 . 1 . . . A 219 GLN HG3 . 17569 1 616 . 1 1 65 65 GLN CA C 13 55.346 0.100 . 1 . . . A 219 GLN CA . 17569 1 617 . 1 1 65 65 GLN N N 15 115.500 0.100 . 1 . . . A 219 GLN N . 17569 1 618 . 1 1 66 66 CYS H H 1 8.248 0.020 . 1 . . . A 220 CYS H . 17569 1 619 . 1 1 66 66 CYS HA H 1 4.077 0.020 . 1 . . . A 220 CYS HA . 17569 1 620 . 1 1 66 66 CYS HB2 H 1 2.912 0.020 . 1 . . . A 220 CYS HB2 . 17569 1 621 . 1 1 66 66 CYS HB3 H 1 3.037 0.020 . 1 . . . A 220 CYS HB3 . 17569 1 622 . 1 1 66 66 CYS CA C 13 57.529 0.100 . 1 . . . A 220 CYS CA . 17569 1 623 . 1 1 66 66 CYS CB C 13 31.972 0.100 . 1 . . . A 220 CYS CB . 17569 1 624 . 1 1 66 66 CYS N N 15 122.600 0.100 . 1 . . . A 220 CYS N . 17569 1 625 . 1 1 67 67 ARG H H 1 9.145 0.020 . 1 . . . A 221 ARG H . 17569 1 626 . 1 1 67 67 ARG HA H 1 4.067 0.020 . 1 . . . A 221 ARG HA . 17569 1 627 . 1 1 67 67 ARG CA C 13 55.016 0.100 . 1 . . . A 221 ARG CA . 17569 1 628 . 1 1 67 67 ARG N N 15 130.363 0.100 . 1 . . . A 221 ARG N . 17569 1 629 . 1 1 68 68 TRP H H 1 9.689 0.020 . 1 . . . A 222 TRP H . 17569 1 630 . 1 1 68 68 TRP HA H 1 4.436 0.020 . 1 . . . A 222 TRP HA . 17569 1 631 . 1 1 68 68 TRP HB2 H 1 3.247 0.020 . 1 . . . A 222 TRP HB2 . 17569 1 632 . 1 1 68 68 TRP HB3 H 1 3.247 0.020 . 1 . . . A 222 TRP HB3 . 17569 1 633 . 1 1 68 68 TRP HD1 H 1 7.079 0.020 . 1 . . . A 222 TRP HD1 . 17569 1 634 . 1 1 68 68 TRP HE1 H 1 10.120 0.020 . 1 . . . A 222 TRP HE1 . 17569 1 635 . 1 1 68 68 TRP HE3 H 1 6.416 0.020 . 1 . . . A 222 TRP HE3 . 17569 1 636 . 1 1 68 68 TRP HZ2 H 1 6.999 0.020 . 1 . . . A 222 TRP HZ2 . 17569 1 637 . 1 1 68 68 TRP HZ3 H 1 7.527 0.020 . 1 . . . A 222 TRP HZ3 . 17569 1 638 . 1 1 68 68 TRP HH2 H 1 6.628 0.020 . 1 . . . A 222 TRP HH2 . 17569 1 639 . 1 1 68 68 TRP CA C 13 60.080 0.100 . 1 . . . A 222 TRP CA . 17569 1 640 . 1 1 68 68 TRP CB C 13 31.194 0.100 . 1 . . . A 222 TRP CB . 17569 1 641 . 1 1 68 68 TRP CD1 C 13 122.234 0.100 . 1 . . . A 222 TRP CD1 . 17569 1 642 . 1 1 68 68 TRP CE3 C 13 119.952 0.100 . 1 . . . A 222 TRP CE3 . 17569 1 643 . 1 1 68 68 TRP CZ2 C 13 113.326 0.100 . 1 . . . A 222 TRP CZ2 . 17569 1 644 . 1 1 68 68 TRP CZ3 C 13 119.245 0.100 . 1 . . . A 222 TRP CZ3 . 17569 1 645 . 1 1 68 68 TRP CH2 C 13 123.189 0.100 . 1 . . . A 222 TRP CH2 . 17569 1 646 . 1 1 68 68 TRP N N 15 124.200 0.100 . 1 . . . A 222 TRP N . 17569 1 647 . 1 1 68 68 TRP NE1 N 15 126.506 0.100 . 1 . . . A 222 TRP NE1 . 17569 1 648 . 1 1 69 69 CYS H H 1 8.822 0.020 . 1 . . . A 223 CYS H . 17569 1 649 . 1 1 69 69 CYS HA H 1 5.091 0.020 . 1 . . . A 223 CYS HA . 17569 1 650 . 1 1 69 69 CYS HB2 H 1 3.133 0.020 . 1 . . . A 223 CYS HB2 . 17569 1 651 . 1 1 69 69 CYS HB3 H 1 3.410 0.020 . 1 . . . A 223 CYS HB3 . 17569 1 652 . 1 1 69 69 CYS CA C 13 59.102 0.100 . 1 . . . A 223 CYS CA . 17569 1 653 . 1 1 69 69 CYS CB C 13 32.338 0.100 . 1 . . . A 223 CYS CB . 17569 1 654 . 1 1 69 69 CYS N N 15 116.297 0.100 . 1 . . . A 223 CYS N . 17569 1 655 . 1 1 70 70 ALA H H 1 8.787 0.020 . 1 . . . A 224 ALA H . 17569 1 656 . 1 1 70 70 ALA HA H 1 4.406 0.020 . 1 . . . A 224 ALA HA . 17569 1 657 . 1 1 70 70 ALA HB1 H 1 1.567 0.020 . 1 . . . A 224 ALA HB1 . 17569 1 658 . 1 1 70 70 ALA HB2 H 1 1.567 0.020 . 1 . . . A 224 ALA HB2 . 17569 1 659 . 1 1 70 70 ALA HB3 H 1 1.567 0.020 . 1 . . . A 224 ALA HB3 . 17569 1 660 . 1 1 70 70 ALA CA C 13 52.851 0.100 . 1 . . . A 224 ALA CA . 17569 1 661 . 1 1 70 70 ALA CB C 13 17.720 0.100 . 1 . . . A 224 ALA CB . 17569 1 662 . 1 1 70 70 ALA N N 15 123.112 0.100 . 1 . . . A 224 ALA N . 17569 1 663 . 1 1 71 71 GLU H H 1 8.541 0.020 . 1 . . . A 225 GLU H . 17569 1 664 . 1 1 71 71 GLU HA H 1 5.308 0.020 . 1 . . . A 225 GLU HA . 17569 1 665 . 1 1 71 71 GLU HB2 H 1 2.142 0.020 . 1 . . . A 225 GLU HB2 . 17569 1 666 . 1 1 71 71 GLU HB3 H 1 2.564 0.020 . 1 . . . A 225 GLU HB3 . 17569 1 667 . 1 1 71 71 GLU CA C 13 53.299 0.100 . 1 . . . A 225 GLU CA . 17569 1 668 . 1 1 71 71 GLU N N 15 118.300 0.100 . 1 . . . A 225 GLU N . 17569 1 669 . 1 1 72 72 GLY H H 1 9.837 0.020 . 1 . . . A 226 GLY H . 17569 1 670 . 1 1 72 72 GLY HA2 H 1 4.081 0.020 . 2 . . . A 226 GLY HA2 . 17569 1 671 . 1 1 72 72 GLY HA3 H 1 4.246 0.020 . 2 . . . A 226 GLY HA3 . 17569 1 672 . 1 1 72 72 GLY CA C 13 44.403 0.100 . 1 . . . A 226 GLY CA . 17569 1 673 . 1 1 72 72 GLY N N 15 111.995 0.100 . 1 . . . A 226 GLY N . 17569 1 674 . 1 1 73 73 GLY H H 1 7.772 0.020 . 1 . . . A 227 GLY H . 17569 1 675 . 1 1 73 73 GLY HA2 H 1 3.837 0.020 . 2 . . . A 227 GLY HA2 . 17569 1 676 . 1 1 73 73 GLY HA3 H 1 4.507 0.020 . 2 . . . A 227 GLY HA3 . 17569 1 677 . 1 1 73 73 GLY CA C 13 44.971 0.100 . 1 . . . A 227 GLY CA . 17569 1 678 . 1 1 73 73 GLY N N 15 106.600 0.100 . 1 . . . A 227 GLY N . 17569 1 679 . 1 1 74 74 ASN H H 1 8.876 0.020 . 1 . . . A 228 ASN H . 17569 1 680 . 1 1 74 74 ASN HA H 1 5.081 0.020 . 1 . . . A 228 ASN HA . 17569 1 681 . 1 1 74 74 ASN HB2 H 1 2.968 0.020 . 2 . . . A 228 ASN HB2 . 17569 1 682 . 1 1 74 74 ASN HB3 H 1 3.016 0.020 . 2 . . . A 228 ASN HB3 . 17569 1 683 . 1 1 74 74 ASN CA C 13 53.100 0.100 . 1 . . . A 228 ASN CA . 17569 1 684 . 1 1 74 74 ASN CB C 13 38.084 0.100 . 1 . . . A 228 ASN CB . 17569 1 685 . 1 1 74 74 ASN N N 15 124.277 0.100 . 1 . . . A 228 ASN N . 17569 1 686 . 1 1 75 75 LEU H H 1 8.901 0.020 . 1 . . . A 229 LEU H . 17569 1 687 . 1 1 75 75 LEU HA H 1 4.600 0.020 . 1 . . . A 229 LEU HA . 17569 1 688 . 1 1 75 75 LEU HB2 H 1 1.190 0.020 . 2 . . . A 229 LEU HB2 . 17569 1 689 . 1 1 75 75 LEU HB3 H 1 1.807 0.020 . 2 . . . A 229 LEU HB3 . 17569 1 690 . 1 1 75 75 LEU HD11 H 1 0.509 0.020 . 2 . . . A 229 LEU HD11 . 17569 1 691 . 1 1 75 75 LEU HD12 H 1 0.509 0.020 . 2 . . . A 229 LEU HD12 . 17569 1 692 . 1 1 75 75 LEU HD13 H 1 0.509 0.020 . 2 . . . A 229 LEU HD13 . 17569 1 693 . 1 1 75 75 LEU HD21 H 1 0.484 0.020 . 2 . . . A 229 LEU HD21 . 17569 1 694 . 1 1 75 75 LEU HD22 H 1 0.484 0.020 . 2 . . . A 229 LEU HD22 . 17569 1 695 . 1 1 75 75 LEU HD23 H 1 0.484 0.020 . 2 . . . A 229 LEU HD23 . 17569 1 696 . 1 1 75 75 LEU CA C 13 54.362 0.100 . 1 . . . A 229 LEU CA . 17569 1 697 . 1 1 75 75 LEU CB C 13 43.500 0.100 . 1 . . . A 229 LEU CB . 17569 1 698 . 1 1 75 75 LEU CD1 C 13 22.339 0.100 . 2 . . . A 229 LEU CD1 . 17569 1 699 . 1 1 75 75 LEU CD2 C 13 25.352 0.100 . 2 . . . A 229 LEU CD2 . 17569 1 700 . 1 1 75 75 LEU N N 15 123.050 0.100 . 1 . . . A 229 LEU N . 17569 1 701 . 1 1 76 76 ILE H H 1 9.406 0.020 . 1 . . . A 230 ILE H . 17569 1 702 . 1 1 76 76 ILE HA H 1 4.485 0.020 . 1 . . . A 230 ILE HA . 17569 1 703 . 1 1 76 76 ILE HB H 1 1.972 0.020 . 1 . . . A 230 ILE HB . 17569 1 704 . 1 1 76 76 ILE HG12 H 1 1.095 0.020 . 2 . . . A 230 ILE HG12 . 17569 1 705 . 1 1 76 76 ILE HG13 H 1 1.324 0.020 . 2 . . . A 230 ILE HG13 . 17569 1 706 . 1 1 76 76 ILE HG21 H 1 0.464 0.020 . 1 . . . A 230 ILE HG21 . 17569 1 707 . 1 1 76 76 ILE HG22 H 1 0.464 0.020 . 1 . . . A 230 ILE HG22 . 17569 1 708 . 1 1 76 76 ILE HG23 H 1 0.464 0.020 . 1 . . . A 230 ILE HG23 . 17569 1 709 . 1 1 76 76 ILE HD11 H 1 0.651 0.020 . 1 . . . A 230 ILE HD11 . 17569 1 710 . 1 1 76 76 ILE HD12 H 1 0.651 0.020 . 1 . . . A 230 ILE HD12 . 17569 1 711 . 1 1 76 76 ILE HD13 H 1 0.651 0.020 . 1 . . . A 230 ILE HD13 . 17569 1 712 . 1 1 76 76 ILE CA C 13 60.700 0.100 . 1 . . . A 230 ILE CA . 17569 1 713 . 1 1 76 76 ILE CB C 13 37.399 0.100 . 1 . . . A 230 ILE CB . 17569 1 714 . 1 1 76 76 ILE CG2 C 13 18.901 0.100 . 1 . . . A 230 ILE CG2 . 17569 1 715 . 1 1 76 76 ILE CD1 C 13 13.302 0.100 . 1 . . . A 230 ILE CD1 . 17569 1 716 . 1 1 76 76 ILE N N 15 123.552 0.100 . 1 . . . A 230 ILE N . 17569 1 717 . 1 1 77 77 CYS H H 1 8.809 0.020 . 1 . . . A 231 CYS H . 17569 1 718 . 1 1 77 77 CYS HA H 1 4.875 0.020 . 1 . . . A 231 CYS HA . 17569 1 719 . 1 1 77 77 CYS HB2 H 1 2.886 0.020 . 2 . . . A 231 CYS HB2 . 17569 1 720 . 1 1 77 77 CYS HB3 H 1 3.242 0.020 . 2 . . . A 231 CYS HB3 . 17569 1 721 . 1 1 77 77 CYS CA C 13 58.359 0.100 . 1 . . . A 231 CYS CA . 17569 1 722 . 1 1 77 77 CYS CB C 13 29.434 0.100 . 1 . . . A 231 CYS CB . 17569 1 723 . 1 1 77 77 CYS N N 15 124.637 0.100 . 1 . . . A 231 CYS N . 17569 1 724 . 1 1 78 78 CYS H H 1 8.579 0.020 . 1 . . . A 232 CYS H . 17569 1 725 . 1 1 78 78 CYS HA H 1 4.284 0.020 . 1 . . . A 232 CYS HA . 17569 1 726 . 1 1 78 78 CYS HB2 H 1 2.610 0.020 . 1 . . . A 232 CYS HB2 . 17569 1 727 . 1 1 78 78 CYS HB3 H 1 3.194 0.020 . 1 . . . A 232 CYS HB3 . 17569 1 728 . 1 1 78 78 CYS CA C 13 61.884 0.100 . 1 . . . A 232 CYS CA . 17569 1 729 . 1 1 78 78 CYS CB C 13 31.170 0.100 . 1 . . . A 232 CYS CB . 17569 1 730 . 1 1 78 78 CYS N N 15 125.697 0.100 . 1 . . . A 232 CYS N . 17569 1 731 . 1 1 79 79 ASP H H 1 8.577 0.020 . 1 . . . A 233 ASP H . 17569 1 732 . 1 1 79 79 ASP HA H 1 4.757 0.020 . 1 . . . A 233 ASP HA . 17569 1 733 . 1 1 79 79 ASP HB2 H 1 1.979 0.020 . 2 . . . A 233 ASP HB2 . 17569 1 734 . 1 1 79 79 ASP HB3 H 1 2.446 0.020 . 2 . . . A 233 ASP HB3 . 17569 1 735 . 1 1 79 79 ASP CA C 13 56.989 0.100 . 1 . . . A 233 ASP CA . 17569 1 736 . 1 1 79 79 ASP CB C 13 41.629 0.100 . 1 . . . A 233 ASP CB . 17569 1 737 . 1 1 79 79 ASP N N 15 123.600 0.100 . 1 . . . A 233 ASP N . 17569 1 738 . 1 1 80 80 PHE H H 1 10.432 0.020 . 1 . . . A 234 PHE H . 17569 1 739 . 1 1 80 80 PHE HA H 1 4.526 0.020 . 1 . . . A 234 PHE HA . 17569 1 740 . 1 1 80 80 PHE HB2 H 1 2.995 0.020 . 2 . . . A 234 PHE HB2 . 17569 1 741 . 1 1 80 80 PHE HB3 H 1 3.187 0.020 . 2 . . . A 234 PHE HB3 . 17569 1 742 . 1 1 80 80 PHE HD1 H 1 6.914 0.020 . 1 . . . A 234 PHE HD1 . 17569 1 743 . 1 1 80 80 PHE HD2 H 1 6.914 0.020 . 1 . . . A 234 PHE HD2 . 17569 1 744 . 1 1 80 80 PHE HE1 H 1 6.641 0.020 . 1 . . . A 234 PHE HE1 . 17569 1 745 . 1 1 80 80 PHE HE2 H 1 6.641 0.020 . 1 . . . A 234 PHE HE2 . 17569 1 746 . 1 1 80 80 PHE HZ H 1 6.733 0.020 . 1 . . . A 234 PHE HZ . 17569 1 747 . 1 1 80 80 PHE CA C 13 59.909 0.100 . 1 . . . A 234 PHE CA . 17569 1 748 . 1 1 80 80 PHE CB C 13 41.849 0.100 . 1 . . . A 234 PHE CB . 17569 1 749 . 1 1 80 80 PHE CD1 C 13 131.746 0.100 . 1 . . . A 234 PHE CD1 . 17569 1 750 . 1 1 80 80 PHE CD2 C 13 131.746 0.100 . 1 . . . A 234 PHE CD2 . 17569 1 751 . 1 1 80 80 PHE CE1 C 13 132.728 0.100 . 1 . . . A 234 PHE CE1 . 17569 1 752 . 1 1 80 80 PHE CE2 C 13 132.728 0.100 . 1 . . . A 234 PHE CE2 . 17569 1 753 . 1 1 80 80 PHE CZ C 13 128.518 0.100 . 1 . . . A 234 PHE CZ . 17569 1 754 . 1 1 80 80 PHE N N 15 122.100 0.100 . 1 . . . A 234 PHE N . 17569 1 755 . 1 1 81 81 CYS H H 1 8.476 0.020 . 1 . . . A 235 CYS H . 17569 1 756 . 1 1 81 81 CYS HA H 1 5.156 0.020 . 1 . . . A 235 CYS HA . 17569 1 757 . 1 1 81 81 CYS HB2 H 1 2.704 0.020 . 1 . . . A 235 CYS HB2 . 17569 1 758 . 1 1 81 81 CYS HB3 H 1 3.164 0.020 . 1 . . . A 235 CYS HB3 . 17569 1 759 . 1 1 81 81 CYS CA C 13 58.045 0.100 . 1 . . . A 235 CYS CA . 17569 1 760 . 1 1 81 81 CYS CB C 13 31.407 0.100 . 1 . . . A 235 CYS CB . 17569 1 761 . 1 1 81 81 CYS N N 15 124.300 0.100 . 1 . . . A 235 CYS N . 17569 1 762 . 1 1 82 82 HIS H H 1 6.699 0.020 . 1 . . . A 236 HIS H . 17569 1 763 . 1 1 82 82 HIS HA H 1 4.983 0.020 . 1 . . . A 236 HIS HA . 17569 1 764 . 1 1 82 82 HIS HB2 H 1 3.077 0.020 . 2 . . . A 236 HIS HB2 . 17569 1 765 . 1 1 82 82 HIS HB3 H 1 3.698 0.020 . 2 . . . A 236 HIS HB3 . 17569 1 766 . 1 1 82 82 HIS HD2 H 1 7.354 0.020 . 1 . . . A 236 HIS HD2 . 17569 1 767 . 1 1 82 82 HIS HE1 H 1 7.644 0.020 . 1 . . . A 236 HIS HE1 . 17569 1 768 . 1 1 82 82 HIS CA C 13 55.398 0.100 . 1 . . . A 236 HIS CA . 17569 1 769 . 1 1 82 82 HIS CB C 13 30.257 0.100 . 1 . . . A 236 HIS CB . 17569 1 770 . 1 1 82 82 HIS CD2 C 13 124.015 0.100 . 1 . . . A 236 HIS CD2 . 17569 1 771 . 1 1 82 82 HIS CE1 C 13 138.814 0.100 . 1 . . . A 236 HIS CE1 . 17569 1 772 . 1 1 82 82 HIS N N 15 112.598 0.100 . 1 . . . A 236 HIS N . 17569 1 773 . 1 1 83 83 ASN H H 1 9.097 0.020 . 1 . . . A 237 ASN H . 17569 1 774 . 1 1 83 83 ASN HA H 1 4.801 0.020 . 1 . . . A 237 ASN HA . 17569 1 775 . 1 1 83 83 ASN HB2 H 1 3.435 0.020 . 1 . . . A 237 ASN HB2 . 17569 1 776 . 1 1 83 83 ASN HB3 H 1 3.435 0.020 . 1 . . . A 237 ASN HB3 . 17569 1 777 . 1 1 83 83 ASN HD21 H 1 6.139 0.020 . 2 . . . A 237 ASN HD21 . 17569 1 778 . 1 1 83 83 ASN HD22 H 1 8.762 0.020 . 2 . . . A 237 ASN HD22 . 17569 1 779 . 1 1 83 83 ASN CA C 13 55.616 0.100 . 1 . . . A 237 ASN CA . 17569 1 780 . 1 1 83 83 ASN N N 15 123.600 0.100 . 1 . . . A 237 ASN N . 17569 1 781 . 1 1 83 83 ASN ND2 N 15 119.113 0.100 . 1 . . . A 237 ASN ND2 . 17569 1 782 . 1 1 84 84 ALA H H 1 9.885 0.020 . 1 . . . A 238 ALA H . 17569 1 783 . 1 1 84 84 ALA HA H 1 5.409 0.020 . 1 . . . A 238 ALA HA . 17569 1 784 . 1 1 84 84 ALA HB1 H 1 1.320 0.020 . 1 . . . A 238 ALA HB1 . 17569 1 785 . 1 1 84 84 ALA HB2 H 1 1.320 0.020 . 1 . . . A 238 ALA HB2 . 17569 1 786 . 1 1 84 84 ALA HB3 H 1 1.320 0.020 . 1 . . . A 238 ALA HB3 . 17569 1 787 . 1 1 84 84 ALA CA C 13 50.364 0.100 . 1 . . . A 238 ALA CA . 17569 1 788 . 1 1 84 84 ALA CB C 13 25.070 0.100 . 1 . . . A 238 ALA CB . 17569 1 789 . 1 1 84 84 ALA N N 15 122.000 0.100 . 1 . . . A 238 ALA N . 17569 1 790 . 1 1 85 85 PHE H H 1 9.450 0.020 . 1 . . . A 239 PHE H . 17569 1 791 . 1 1 85 85 PHE HA H 1 6.028 0.020 . 1 . . . A 239 PHE HA . 17569 1 792 . 1 1 85 85 PHE HB2 H 1 3.314 0.020 . 1 . . . A 239 PHE HB2 . 17569 1 793 . 1 1 85 85 PHE HB3 H 1 3.460 0.020 . 1 . . . A 239 PHE HB3 . 17569 1 794 . 1 1 85 85 PHE HD1 H 1 7.865 0.020 . 1 . . . A 239 PHE HD1 . 17569 1 795 . 1 1 85 85 PHE HD2 H 1 7.865 0.020 . 1 . . . A 239 PHE HD2 . 17569 1 796 . 1 1 85 85 PHE HE1 H 1 7.532 0.020 . 1 . . . A 239 PHE HE1 . 17569 1 797 . 1 1 85 85 PHE HE2 H 1 7.532 0.020 . 1 . . . A 239 PHE HE2 . 17569 1 798 . 1 1 85 85 PHE HZ H 1 7.226 0.020 . 1 . . . A 239 PHE HZ . 17569 1 799 . 1 1 85 85 PHE CA C 13 56.217 0.100 . 1 . . . A 239 PHE CA . 17569 1 800 . 1 1 85 85 PHE CB C 13 44.664 0.100 . 1 . . . A 239 PHE CB . 17569 1 801 . 1 1 85 85 PHE CD1 C 13 132.944 0.100 . 1 . . . A 239 PHE CD1 . 17569 1 802 . 1 1 85 85 PHE CD2 C 13 132.944 0.100 . 1 . . . A 239 PHE CD2 . 17569 1 803 . 1 1 85 85 PHE CE1 C 13 131.168 0.100 . 1 . . . A 239 PHE CE1 . 17569 1 804 . 1 1 85 85 PHE CE2 C 13 131.168 0.100 . 1 . . . A 239 PHE CE2 . 17569 1 805 . 1 1 85 85 PHE CZ C 13 129.260 0.100 . 1 . . . A 239 PHE CZ . 17569 1 806 . 1 1 85 85 PHE N N 15 116.707 0.100 . 1 . . . A 239 PHE N . 17569 1 807 . 1 1 86 86 CYS H H 1 11.309 0.020 . 1 . . . A 240 CYS H . 17569 1 808 . 1 1 86 86 CYS HA H 1 5.622 0.020 . 1 . . . A 240 CYS HA . 17569 1 809 . 1 1 86 86 CYS HB2 H 1 2.906 0.020 . 1 . . . A 240 CYS HB2 . 17569 1 810 . 1 1 86 86 CYS HB3 H 1 3.603 0.020 . 1 . . . A 240 CYS HB3 . 17569 1 811 . 1 1 86 86 CYS CA C 13 57.342 0.100 . 1 . . . A 240 CYS CA . 17569 1 812 . 1 1 86 86 CYS CB C 13 32.257 0.100 . 1 . . . A 240 CYS CB . 17569 1 813 . 1 1 86 86 CYS N N 15 126.682 0.100 . 1 . . . A 240 CYS N . 17569 1 814 . 1 1 87 87 LYS H H 1 8.230 0.020 . 1 . . . A 241 LYS H . 17569 1 815 . 1 1 87 87 LYS HA H 1 3.849 0.020 . 1 . . . A 241 LYS HA . 17569 1 816 . 1 1 87 87 LYS HB2 H 1 1.914 0.020 . 2 . . . A 241 LYS HB2 . 17569 1 817 . 1 1 87 87 LYS HB3 H 1 2.040 0.020 . 2 . . . A 241 LYS HB3 . 17569 1 818 . 1 1 87 87 LYS CA C 13 60.070 0.100 . 1 . . . A 241 LYS CA . 17569 1 819 . 1 1 87 87 LYS CB C 13 32.798 0.100 . 1 . . . A 241 LYS CB . 17569 1 820 . 1 1 87 87 LYS N N 15 117.865 0.100 . 1 . . . A 241 LYS N . 17569 1 821 . 1 1 88 88 LYS H H 1 7.945 0.020 . 1 . . . A 242 LYS H . 17569 1 822 . 1 1 88 88 LYS HA H 1 3.978 0.020 . 1 . . . A 242 LYS HA . 17569 1 823 . 1 1 88 88 LYS HB2 H 1 1.933 0.020 . 2 . . . A 242 LYS HB2 . 17569 1 824 . 1 1 88 88 LYS HB3 H 1 2.374 0.020 . 2 . . . A 242 LYS HB3 . 17569 1 825 . 1 1 88 88 LYS HE2 H 1 3.122 0.020 . 1 . . . A 242 LYS HE2 . 17569 1 826 . 1 1 88 88 LYS HE3 H 1 3.122 0.020 . 1 . . . A 242 LYS HE3 . 17569 1 827 . 1 1 88 88 LYS CA C 13 60.370 0.100 . 1 . . . A 242 LYS CA . 17569 1 828 . 1 1 88 88 LYS CB C 13 32.316 0.100 . 1 . . . A 242 LYS CB . 17569 1 829 . 1 1 88 88 LYS CE C 13 41.641 0.100 . 1 . . . A 242 LYS CE . 17569 1 830 . 1 1 88 88 LYS N N 15 117.949 0.100 . 1 . . . A 242 LYS N . 17569 1 831 . 1 1 89 89 CYS H H 1 9.297 0.020 . 1 . . . A 243 CYS H . 17569 1 832 . 1 1 89 89 CYS HA H 1 3.742 0.020 . 1 . . . A 243 CYS HA . 17569 1 833 . 1 1 89 89 CYS HB2 H 1 2.406 0.020 . 1 . . . A 243 CYS HB2 . 17569 1 834 . 1 1 89 89 CYS HB3 H 1 3.192 0.020 . 1 . . . A 243 CYS HB3 . 17569 1 835 . 1 1 89 89 CYS CA C 13 64.827 0.100 . 1 . . . A 243 CYS CA . 17569 1 836 . 1 1 89 89 CYS CB C 13 28.241 0.100 . 1 . . . A 243 CYS CB . 17569 1 837 . 1 1 89 89 CYS N N 15 125.305 0.100 . 1 . . . A 243 CYS N . 17569 1 838 . 1 1 90 90 ILE H H 1 7.997 0.020 . 1 . . . A 244 ILE H . 17569 1 839 . 1 1 90 90 ILE HA H 1 3.607 0.020 . 1 . . . A 244 ILE HA . 17569 1 840 . 1 1 90 90 ILE HB H 1 1.797 0.020 . 1 . . . A 244 ILE HB . 17569 1 841 . 1 1 90 90 ILE HG12 H 1 1.589 0.020 . 2 . . . A 244 ILE HG12 . 17569 1 842 . 1 1 90 90 ILE HG13 H 1 2.130 0.020 . 2 . . . A 244 ILE HG13 . 17569 1 843 . 1 1 90 90 ILE HG21 H 1 0.959 0.020 . 1 . . . A 244 ILE HG21 . 17569 1 844 . 1 1 90 90 ILE HG22 H 1 0.959 0.020 . 1 . . . A 244 ILE HG22 . 17569 1 845 . 1 1 90 90 ILE HG23 H 1 0.959 0.020 . 1 . . . A 244 ILE HG23 . 17569 1 846 . 1 1 90 90 ILE HD11 H 1 0.916 0.020 . 1 . . . A 244 ILE HD11 . 17569 1 847 . 1 1 90 90 ILE HD12 H 1 0.916 0.020 . 1 . . . A 244 ILE HD12 . 17569 1 848 . 1 1 90 90 ILE HD13 H 1 0.916 0.020 . 1 . . . A 244 ILE HD13 . 17569 1 849 . 1 1 90 90 ILE CA C 13 65.950 0.100 . 1 . . . A 244 ILE CA . 17569 1 850 . 1 1 90 90 ILE CG1 C 13 28.197 0.100 . 1 . . . A 244 ILE CG1 . 17569 1 851 . 1 1 90 90 ILE CG2 C 13 17.380 0.100 . 1 . . . A 244 ILE CG2 . 17569 1 852 . 1 1 90 90 ILE CD1 C 13 13.869 0.100 . 1 . . . A 244 ILE CD1 . 17569 1 853 . 1 1 90 90 ILE N N 15 119.687 0.100 . 1 . . . A 244 ILE N . 17569 1 854 . 1 1 91 91 LEU H H 1 8.810 0.020 . 1 . . . A 245 LEU H . 17569 1 855 . 1 1 91 91 LEU HA H 1 3.685 0.020 . 1 . . . A 245 LEU HA . 17569 1 856 . 1 1 91 91 LEU HB2 H 1 1.518 0.020 . 2 . . . A 245 LEU HB2 . 17569 1 857 . 1 1 91 91 LEU HB3 H 1 1.844 0.020 . 2 . . . A 245 LEU HB3 . 17569 1 858 . 1 1 91 91 LEU HD11 H 1 0.841 0.020 . 2 . . . A 245 LEU HD11 . 17569 1 859 . 1 1 91 91 LEU HD12 H 1 0.841 0.020 . 2 . . . A 245 LEU HD12 . 17569 1 860 . 1 1 91 91 LEU HD13 H 1 0.841 0.020 . 2 . . . A 245 LEU HD13 . 17569 1 861 . 1 1 91 91 LEU HD21 H 1 0.854 0.020 . 2 . . . A 245 LEU HD21 . 17569 1 862 . 1 1 91 91 LEU HD22 H 1 0.854 0.020 . 2 . . . A 245 LEU HD22 . 17569 1 863 . 1 1 91 91 LEU HD23 H 1 0.854 0.020 . 2 . . . A 245 LEU HD23 . 17569 1 864 . 1 1 91 91 LEU CA C 13 58.235 0.100 . 1 . . . A 245 LEU CA . 17569 1 865 . 1 1 91 91 LEU CB C 13 41.958 0.100 . 1 . . . A 245 LEU CB . 17569 1 866 . 1 1 91 91 LEU CD1 C 13 23.537 0.100 . 2 . . . A 245 LEU CD1 . 17569 1 867 . 1 1 91 91 LEU CD2 C 13 24.340 0.100 . 2 . . . A 245 LEU CD2 . 17569 1 868 . 1 1 91 91 LEU N N 15 120.280 0.100 . 1 . . . A 245 LEU N . 17569 1 869 . 1 1 92 92 ARG H H 1 8.086 0.020 . 1 . . . A 246 ARG H . 17569 1 870 . 1 1 92 92 ARG HA H 1 3.817 0.020 . 1 . . . A 246 ARG HA . 17569 1 871 . 1 1 92 92 ARG HB2 H 1 1.412 0.020 . 2 . . . A 246 ARG HB2 . 17569 1 872 . 1 1 92 92 ARG HB3 H 1 1.909 0.020 . 2 . . . A 246 ARG HB3 . 17569 1 873 . 1 1 92 92 ARG CA C 13 58.980 0.100 . 1 . . . A 246 ARG CA . 17569 1 874 . 1 1 92 92 ARG CB C 13 30.600 0.100 . 1 . . . A 246 ARG CB . 17569 1 875 . 1 1 92 92 ARG N N 15 116.901 0.100 . 1 . . . A 246 ARG N . 17569 1 876 . 1 1 93 93 ASN H H 1 7.136 0.020 . 1 . . . A 247 ASN H . 17569 1 877 . 1 1 93 93 ASN HA H 1 4.603 0.020 . 1 . . . A 247 ASN HA . 17569 1 878 . 1 1 93 93 ASN HB2 H 1 2.173 0.020 . 2 . . . A 247 ASN HB2 . 17569 1 879 . 1 1 93 93 ASN HB3 H 1 2.500 0.020 . 2 . . . A 247 ASN HB3 . 17569 1 880 . 1 1 93 93 ASN HD21 H 1 5.891 0.020 . 2 . . . A 247 ASN HD21 . 17569 1 881 . 1 1 93 93 ASN HD22 H 1 7.652 0.020 . 2 . . . A 247 ASN HD22 . 17569 1 882 . 1 1 93 93 ASN CA C 13 55.808 0.100 . 1 . . . A 247 ASN CA . 17569 1 883 . 1 1 93 93 ASN CB C 13 42.484 0.100 . 1 . . . A 247 ASN CB . 17569 1 884 . 1 1 93 93 ASN N N 15 111.200 0.100 . 1 . . . A 247 ASN N . 17569 1 885 . 1 1 93 93 ASN ND2 N 15 115.200 0.100 . 1 . . . A 247 ASN ND2 . 17569 1 886 . 1 1 94 94 LEU H H 1 8.515 0.020 . 1 . . . A 248 LEU H . 17569 1 887 . 1 1 94 94 LEU HA H 1 4.814 0.020 . 1 . . . A 248 LEU HA . 17569 1 888 . 1 1 94 94 LEU HB2 H 1 1.649 0.020 . 2 . . . A 248 LEU HB2 . 17569 1 889 . 1 1 94 94 LEU HB3 H 1 1.954 0.020 . 2 . . . A 248 LEU HB3 . 17569 1 890 . 1 1 94 94 LEU HD11 H 1 0.947 0.020 . 2 . . . A 248 LEU HD11 . 17569 1 891 . 1 1 94 94 LEU HD12 H 1 0.947 0.020 . 2 . . . A 248 LEU HD12 . 17569 1 892 . 1 1 94 94 LEU HD13 H 1 0.947 0.020 . 2 . . . A 248 LEU HD13 . 17569 1 893 . 1 1 94 94 LEU HD21 H 1 0.942 0.020 . 2 . . . A 248 LEU HD21 . 17569 1 894 . 1 1 94 94 LEU HD22 H 1 0.942 0.020 . 2 . . . A 248 LEU HD22 . 17569 1 895 . 1 1 94 94 LEU HD23 H 1 0.942 0.020 . 2 . . . A 248 LEU HD23 . 17569 1 896 . 1 1 94 94 LEU CA C 13 55.189 0.100 . 1 . . . A 248 LEU CA . 17569 1 897 . 1 1 94 94 LEU CB C 13 43.698 0.100 . 1 . . . A 248 LEU CB . 17569 1 898 . 1 1 94 94 LEU CD1 C 13 24.081 0.100 . 2 . . . A 248 LEU CD1 . 17569 1 899 . 1 1 94 94 LEU CD2 C 13 25.558 0.100 . 2 . . . A 248 LEU CD2 . 17569 1 900 . 1 1 94 94 LEU N N 15 118.807 0.100 . 1 . . . A 248 LEU N . 17569 1 901 . 1 1 95 95 GLY H H 1 7.955 0.020 . 1 . . . A 249 GLY H . 17569 1 902 . 1 1 95 95 GLY HA2 H 1 4.182 0.020 . 2 . . . A 249 GLY HA2 . 17569 1 903 . 1 1 95 95 GLY HA3 H 1 4.623 0.020 . 2 . . . A 249 GLY HA3 . 17569 1 904 . 1 1 95 95 GLY CA C 13 44.628 0.100 . 1 . . . A 249 GLY CA . 17569 1 905 . 1 1 95 95 GLY N N 15 108.000 0.100 . 1 . . . A 249 GLY N . 17569 1 906 . 1 1 96 96 ARG H H 1 8.559 0.020 . 1 . . . A 250 ARG H . 17569 1 907 . 1 1 96 96 ARG HA H 1 3.843 0.020 . 1 . . . A 250 ARG HA . 17569 1 908 . 1 1 96 96 ARG HB2 H 1 1.875 0.020 . 1 . . . A 250 ARG HB2 . 17569 1 909 . 1 1 96 96 ARG HB3 H 1 1.875 0.020 . 1 . . . A 250 ARG HB3 . 17569 1 910 . 1 1 96 96 ARG HG2 H 1 1.738 0.020 . 1 . . . A 250 ARG HG2 . 17569 1 911 . 1 1 96 96 ARG HG3 H 1 1.738 0.020 . 1 . . . A 250 ARG HG3 . 17569 1 912 . 1 1 96 96 ARG HD2 H 1 3.247 0.020 . 1 . . . A 250 ARG HD2 . 17569 1 913 . 1 1 96 96 ARG HD3 H 1 3.247 0.020 . 1 . . . A 250 ARG HD3 . 17569 1 914 . 1 1 96 96 ARG CA C 13 58.682 0.100 . 1 . . . A 250 ARG CA . 17569 1 915 . 1 1 96 96 ARG CB C 13 29.860 0.100 . 1 . . . A 250 ARG CB . 17569 1 916 . 1 1 96 96 ARG CD C 13 43.032 0.100 . 1 . . . A 250 ARG CD . 17569 1 917 . 1 1 96 96 ARG N N 15 117.797 0.100 . 1 . . . A 250 ARG N . 17569 1 918 . 1 1 97 97 LYS H H 1 8.655 0.020 . 1 . . . A 251 LYS H . 17569 1 919 . 1 1 97 97 LYS HA H 1 4.156 0.020 . 1 . . . A 251 LYS HA . 17569 1 920 . 1 1 97 97 LYS HB2 H 1 1.939 0.020 . 1 . . . A 251 LYS HB2 . 17569 1 921 . 1 1 97 97 LYS HB3 H 1 1.939 0.020 . 1 . . . A 251 LYS HB3 . 17569 1 922 . 1 1 97 97 LYS HG2 H 1 1.520 0.020 . 1 . . . A 251 LYS HG2 . 17569 1 923 . 1 1 97 97 LYS HG3 H 1 1.520 0.020 . 1 . . . A 251 LYS HG3 . 17569 1 924 . 1 1 97 97 LYS HD2 H 1 1.757 0.020 . 1 . . . A 251 LYS HD2 . 17569 1 925 . 1 1 97 97 LYS HD3 H 1 1.757 0.020 . 1 . . . A 251 LYS HD3 . 17569 1 926 . 1 1 97 97 LYS CA C 13 59.156 0.100 . 1 . . . A 251 LYS CA . 17569 1 927 . 1 1 97 97 LYS CB C 13 31.360 0.100 . 1 . . . A 251 LYS CB . 17569 1 928 . 1 1 97 97 LYS N N 15 120.900 0.100 . 1 . . . A 251 LYS N . 17569 1 929 . 1 1 98 98 GLU H H 1 7.705 0.020 . 1 . . . A 252 GLU H . 17569 1 930 . 1 1 98 98 GLU HA H 1 4.351 0.020 . 1 . . . A 252 GLU HA . 17569 1 931 . 1 1 98 98 GLU HB2 H 1 1.754 0.020 . 1 . . . A 252 GLU HB2 . 17569 1 932 . 1 1 98 98 GLU HB3 H 1 1.754 0.020 . 1 . . . A 252 GLU HB3 . 17569 1 933 . 1 1 98 98 GLU CA C 13 58.582 0.100 . 1 . . . A 252 GLU CA . 17569 1 934 . 1 1 98 98 GLU CB C 13 28.400 0.100 . 1 . . . A 252 GLU CB . 17569 1 935 . 1 1 98 98 GLU N N 15 122.000 0.100 . 1 . . . A 252 GLU N . 17569 1 936 . 1 1 99 99 LEU H H 1 7.285 0.020 . 1 . . . A 253 LEU H . 17569 1 937 . 1 1 99 99 LEU HA H 1 3.917 0.020 . 1 . . . A 253 LEU HA . 17569 1 938 . 1 1 99 99 LEU HB2 H 1 1.314 0.020 . 1 . . . A 253 LEU HB2 . 17569 1 939 . 1 1 99 99 LEU HB3 H 1 1.933 0.020 . 1 . . . A 253 LEU HB3 . 17569 1 940 . 1 1 99 99 LEU HG H 1 1.657 0.020 . 1 . . . A 253 LEU HG . 17569 1 941 . 1 1 99 99 LEU HD11 H 1 0.900 0.020 . 2 . . . A 253 LEU HD11 . 17569 1 942 . 1 1 99 99 LEU HD12 H 1 0.900 0.020 . 2 . . . A 253 LEU HD12 . 17569 1 943 . 1 1 99 99 LEU HD13 H 1 0.900 0.020 . 2 . . . A 253 LEU HD13 . 17569 1 944 . 1 1 99 99 LEU HD21 H 1 0.953 0.020 . 2 . . . A 253 LEU HD21 . 17569 1 945 . 1 1 99 99 LEU HD22 H 1 0.953 0.020 . 2 . . . A 253 LEU HD22 . 17569 1 946 . 1 1 99 99 LEU HD23 H 1 0.953 0.020 . 2 . . . A 253 LEU HD23 . 17569 1 947 . 1 1 99 99 LEU CA C 13 57.998 0.100 . 1 . . . A 253 LEU CA . 17569 1 948 . 1 1 99 99 LEU CB C 13 41.482 0.100 . 1 . . . A 253 LEU CB . 17569 1 949 . 1 1 99 99 LEU CD1 C 13 24.012 0.100 . 2 . . . A 253 LEU CD1 . 17569 1 950 . 1 1 99 99 LEU CD2 C 13 26.038 0.100 . 2 . . . A 253 LEU CD2 . 17569 1 951 . 1 1 99 99 LEU N N 15 117.400 0.100 . 1 . . . A 253 LEU N . 17569 1 952 . 1 1 100 100 SER H H 1 8.326 0.020 . 1 . . . A 254 SER H . 17569 1 953 . 1 1 100 100 SER HA H 1 4.107 0.020 . 1 . . . A 254 SER HA . 17569 1 954 . 1 1 100 100 SER HB2 H 1 3.998 0.020 . 1 . . . A 254 SER HB2 . 17569 1 955 . 1 1 100 100 SER HB3 H 1 3.998 0.020 . 1 . . . A 254 SER HB3 . 17569 1 956 . 1 1 100 100 SER CA C 13 61.603 0.100 . 1 . . . A 254 SER CA . 17569 1 957 . 1 1 100 100 SER CB C 13 62.622 0.100 . 1 . . . A 254 SER CB . 17569 1 958 . 1 1 100 100 SER N N 15 112.100 0.100 . 1 . . . A 254 SER N . 17569 1 959 . 1 1 101 101 THR H H 1 7.972 0.020 . 1 . . . A 255 THR H . 17569 1 960 . 1 1 101 101 THR HA H 1 4.026 0.020 . 1 . . . A 255 THR HA . 17569 1 961 . 1 1 101 101 THR HB H 1 4.443 0.020 . 1 . . . A 255 THR HB . 17569 1 962 . 1 1 101 101 THR HG21 H 1 1.321 0.020 . 1 . . . A 255 THR HG21 . 17569 1 963 . 1 1 101 101 THR HG22 H 1 1.321 0.020 . 1 . . . A 255 THR HG22 . 17569 1 964 . 1 1 101 101 THR HG23 H 1 1.321 0.020 . 1 . . . A 255 THR HG23 . 17569 1 965 . 1 1 101 101 THR CA C 13 66.261 0.100 . 1 . . . A 255 THR CA . 17569 1 966 . 1 1 101 101 THR CB C 13 68.735 0.100 . 1 . . . A 255 THR CB . 17569 1 967 . 1 1 101 101 THR CG2 C 13 21.319 0.100 . 1 . . . A 255 THR CG2 . 17569 1 968 . 1 1 101 101 THR N N 15 118.151 0.100 . 1 . . . A 255 THR N . 17569 1 969 . 1 1 102 102 ILE H H 1 7.868 0.020 . 1 . . . A 256 ILE H . 17569 1 970 . 1 1 102 102 ILE HA H 1 3.463 0.020 . 1 . . . A 256 ILE HA . 17569 1 971 . 1 1 102 102 ILE HB H 1 1.067 0.020 . 1 . . . A 256 ILE HB . 17569 1 972 . 1 1 102 102 ILE HG21 H 1 0.113 0.020 . 1 . . . A 256 ILE HG21 . 17569 1 973 . 1 1 102 102 ILE HG22 H 1 0.113 0.020 . 1 . . . A 256 ILE HG22 . 17569 1 974 . 1 1 102 102 ILE HG23 H 1 0.113 0.020 . 1 . . . A 256 ILE HG23 . 17569 1 975 . 1 1 102 102 ILE HD11 H 1 0.346 0.020 . 1 . . . A 256 ILE HD11 . 17569 1 976 . 1 1 102 102 ILE HD12 H 1 0.346 0.020 . 1 . . . A 256 ILE HD12 . 17569 1 977 . 1 1 102 102 ILE HD13 H 1 0.346 0.020 . 1 . . . A 256 ILE HD13 . 17569 1 978 . 1 1 102 102 ILE CA C 13 64.774 0.100 . 1 . . . A 256 ILE CA . 17569 1 979 . 1 1 102 102 ILE CB C 13 37.741 0.100 . 1 . . . A 256 ILE CB . 17569 1 980 . 1 1 102 102 ILE CG2 C 13 17.001 0.100 . 1 . . . A 256 ILE CG2 . 17569 1 981 . 1 1 102 102 ILE CD1 C 13 14.950 0.100 . 1 . . . A 256 ILE CD1 . 17569 1 982 . 1 1 102 102 ILE N N 15 120.100 0.100 . 1 . . . A 256 ILE N . 17569 1 983 . 1 1 103 103 MET H H 1 7.606 0.020 . 1 . . . A 257 MET H . 17569 1 984 . 1 1 103 103 MET HA H 1 4.211 0.020 . 1 . . . A 257 MET HA . 17569 1 985 . 1 1 103 103 MET HB2 H 1 1.990 0.020 . 2 . . . A 257 MET HB2 . 17569 1 986 . 1 1 103 103 MET HB3 H 1 2.201 0.020 . 2 . . . A 257 MET HB3 . 17569 1 987 . 1 1 103 103 MET HG2 H 1 2.366 0.020 . 2 . . . A 257 MET HG2 . 17569 1 988 . 1 1 103 103 MET HG3 H 1 2.679 0.020 . 2 . . . A 257 MET HG3 . 17569 1 989 . 1 1 103 103 MET HE1 H 1 2.046 0.020 . 1 . . . A 257 MET HE1 . 17569 1 990 . 1 1 103 103 MET HE2 H 1 2.046 0.020 . 1 . . . A 257 MET HE2 . 17569 1 991 . 1 1 103 103 MET HE3 H 1 2.046 0.020 . 1 . . . A 257 MET HE3 . 17569 1 992 . 1 1 103 103 MET CA C 13 55.691 0.100 . 1 . . . A 257 MET CA . 17569 1 993 . 1 1 103 103 MET CB C 13 32.000 0.100 . 1 . . . A 257 MET CB . 17569 1 994 . 1 1 103 103 MET CG C 13 32.000 0.100 . 1 . . . A 257 MET CG . 17569 1 995 . 1 1 103 103 MET CE C 13 15.707 0.100 . 1 . . . A 257 MET CE . 17569 1 996 . 1 1 103 103 MET N N 15 114.876 0.100 . 1 . . . A 257 MET N . 17569 1 997 . 1 1 104 104 ASP H H 1 7.444 0.020 . 1 . . . A 258 ASP H . 17569 1 998 . 1 1 104 104 ASP HA H 1 4.538 0.020 . 1 . . . A 258 ASP HA . 17569 1 999 . 1 1 104 104 ASP HB2 H 1 2.793 0.020 . 2 . . . A 258 ASP HB2 . 17569 1 1000 . 1 1 104 104 ASP HB3 H 1 2.919 0.020 . 2 . . . A 258 ASP HB3 . 17569 1 1001 . 1 1 104 104 ASP CA C 13 54.912 0.100 . 1 . . . A 258 ASP CA . 17569 1 1002 . 1 1 104 104 ASP CB C 13 41.500 0.100 . 1 . . . A 258 ASP CB . 17569 1 1003 . 1 1 104 104 ASP N N 15 119.976 0.100 . 1 . . . A 258 ASP N . 17569 1 1004 . 1 1 105 105 GLU H H 1 8.559 0.020 . 1 . . . A 259 GLU H . 17569 1 1005 . 1 1 105 105 GLU HA H 1 4.287 0.020 . 1 . . . A 259 GLU HA . 17569 1 1006 . 1 1 105 105 GLU HB2 H 1 2.102 0.020 . 2 . . . A 259 GLU HB2 . 17569 1 1007 . 1 1 105 105 GLU HB3 H 1 2.202 0.020 . 2 . . . A 259 GLU HB3 . 17569 1 1008 . 1 1 105 105 GLU HG2 H 1 2.374 0.020 . 1 . . . A 259 GLU HG2 . 17569 1 1009 . 1 1 105 105 GLU HG3 H 1 2.374 0.020 . 1 . . . A 259 GLU HG3 . 17569 1 1010 . 1 1 105 105 GLU CA C 13 57.571 0.100 . 1 . . . A 259 GLU CA . 17569 1 1011 . 1 1 105 105 GLU CB C 13 29.542 0.100 . 1 . . . A 259 GLU CB . 17569 1 1012 . 1 1 105 105 GLU N N 15 124.388 0.100 . 1 . . . A 259 GLU N . 17569 1 1013 . 1 1 106 106 ASN H H 1 8.673 0.020 . 1 . . . A 260 ASN H . 17569 1 1014 . 1 1 106 106 ASN HA H 1 4.742 0.020 . 1 . . . A 260 ASN HA . 17569 1 1015 . 1 1 106 106 ASN HB2 H 1 2.814 0.020 . 2 . . . A 260 ASN HB2 . 17569 1 1016 . 1 1 106 106 ASN HB3 H 1 2.918 0.020 . 2 . . . A 260 ASN HB3 . 17569 1 1017 . 1 1 106 106 ASN HD21 H 1 7.035 0.020 . 2 . . . A 260 ASN HD21 . 17569 1 1018 . 1 1 106 106 ASN HD22 H 1 7.911 0.020 . 2 . . . A 260 ASN HD22 . 17569 1 1019 . 1 1 106 106 ASN CA C 13 53.743 0.100 . 1 . . . A 260 ASN CA . 17569 1 1020 . 1 1 106 106 ASN CB C 13 38.918 0.100 . 1 . . . A 260 ASN CB . 17569 1 1021 . 1 1 106 106 ASN N N 15 117.201 0.100 . 1 . . . A 260 ASN N . 17569 1 1022 . 1 1 106 106 ASN ND2 N 15 114.700 0.100 . 1 . . . A 260 ASN ND2 . 17569 1 1023 . 1 1 107 107 ASN H H 1 7.956 0.020 . 1 . . . A 261 ASN H . 17569 1 1024 . 1 1 107 107 ASN HA H 1 4.985 0.020 . 1 . . . A 261 ASN HA . 17569 1 1025 . 1 1 107 107 ASN HB2 H 1 2.808 0.020 . 2 . . . A 261 ASN HB2 . 17569 1 1026 . 1 1 107 107 ASN HB3 H 1 2.958 0.020 . 2 . . . A 261 ASN HB3 . 17569 1 1027 . 1 1 107 107 ASN HD21 H 1 7.054 0.020 . 2 . . . A 261 ASN HD21 . 17569 1 1028 . 1 1 107 107 ASN HD22 H 1 7.775 0.020 . 2 . . . A 261 ASN HD22 . 17569 1 1029 . 1 1 107 107 ASN CA C 13 52.302 0.100 . 1 . . . A 261 ASN CA . 17569 1 1030 . 1 1 107 107 ASN CB C 13 40.614 0.100 . 1 . . . A 261 ASN CB . 17569 1 1031 . 1 1 107 107 ASN N N 15 117.900 0.100 . 1 . . . A 261 ASN N . 17569 1 1032 . 1 1 107 107 ASN ND2 N 15 113.600 0.100 . 1 . . . A 261 ASN ND2 . 17569 1 1033 . 1 1 108 108 GLN H H 1 8.493 0.020 . 1 . . . A 262 GLN H . 17569 1 1034 . 1 1 108 108 GLN HA H 1 4.608 0.020 . 1 . . . A 262 GLN HA . 17569 1 1035 . 1 1 108 108 GLN HB2 H 1 1.959 0.020 . 2 . . . A 262 GLN HB2 . 17569 1 1036 . 1 1 108 108 GLN HB3 H 1 2.113 0.020 . 2 . . . A 262 GLN HB3 . 17569 1 1037 . 1 1 108 108 GLN HG2 H 1 2.266 0.020 . 2 . . . A 262 GLN HG2 . 17569 1 1038 . 1 1 108 108 GLN HG3 H 1 2.416 0.020 . 2 . . . A 262 GLN HG3 . 17569 1 1039 . 1 1 108 108 GLN HE21 H 1 6.792 0.020 . 2 . . . A 262 GLN HE21 . 17569 1 1040 . 1 1 108 108 GLN HE22 H 1 7.528 0.020 . 2 . . . A 262 GLN HE22 . 17569 1 1041 . 1 1 108 108 GLN CA C 13 55.776 0.100 . 1 . . . A 262 GLN CA . 17569 1 1042 . 1 1 108 108 GLN CB C 13 30.558 0.100 . 1 . . . A 262 GLN CB . 17569 1 1043 . 1 1 108 108 GLN N N 15 121.500 0.100 . 1 . . . A 262 GLN N . 17569 1 1044 . 1 1 108 108 GLN NE2 N 15 112.296 0.100 . 1 . . . A 262 GLN NE2 . 17569 1 1045 . 1 1 109 109 TRP H H 1 10.497 0.020 . 1 . . . A 263 TRP H . 17569 1 1046 . 1 1 109 109 TRP HA H 1 4.971 0.020 . 1 . . . A 263 TRP HA . 17569 1 1047 . 1 1 109 109 TRP HB2 H 1 3.088 0.020 . 1 . . . A 263 TRP HB2 . 17569 1 1048 . 1 1 109 109 TRP HB3 H 1 3.305 0.020 . 1 . . . A 263 TRP HB3 . 17569 1 1049 . 1 1 109 109 TRP HD1 H 1 7.388 0.020 . 1 . . . A 263 TRP HD1 . 17569 1 1050 . 1 1 109 109 TRP HE1 H 1 10.379 0.020 . 1 . . . A 263 TRP HE1 . 17569 1 1051 . 1 1 109 109 TRP HE3 H 1 7.446 0.020 . 1 . . . A 263 TRP HE3 . 17569 1 1052 . 1 1 109 109 TRP HZ2 H 1 6.407 0.020 . 1 . . . A 263 TRP HZ2 . 17569 1 1053 . 1 1 109 109 TRP HZ3 H 1 6.951 0.020 . 1 . . . A 263 TRP HZ3 . 17569 1 1054 . 1 1 109 109 TRP HH2 H 1 6.712 0.020 . 1 . . . A 263 TRP HH2 . 17569 1 1055 . 1 1 109 109 TRP CA C 13 58.097 0.100 . 1 . . . A 263 TRP CA . 17569 1 1056 . 1 1 109 109 TRP CB C 13 30.493 0.100 . 1 . . . A 263 TRP CB . 17569 1 1057 . 1 1 109 109 TRP CD1 C 13 126.649 0.100 . 1 . . . A 263 TRP CD1 . 17569 1 1058 . 1 1 109 109 TRP CE3 C 13 120.803 0.100 . 1 . . . A 263 TRP CE3 . 17569 1 1059 . 1 1 109 109 TRP CZ2 C 13 113.786 0.100 . 1 . . . A 263 TRP CZ2 . 17569 1 1060 . 1 1 109 109 TRP CZ3 C 13 120.349 0.100 . 1 . . . A 263 TRP CZ3 . 17569 1 1061 . 1 1 109 109 TRP CH2 C 13 121.892 0.100 . 1 . . . A 263 TRP CH2 . 17569 1 1062 . 1 1 109 109 TRP N N 15 128.056 0.100 . 1 . . . A 263 TRP N . 17569 1 1063 . 1 1 109 109 TRP NE1 N 15 133.231 0.100 . 1 . . . A 263 TRP NE1 . 17569 1 1064 . 1 1 110 110 TYR H H 1 7.545 0.020 . 1 . . . A 264 TYR H . 17569 1 1065 . 1 1 110 110 TYR HA H 1 4.402 0.020 . 1 . . . A 264 TYR HA . 17569 1 1066 . 1 1 110 110 TYR HB2 H 1 2.028 0.020 . 1 . . . A 264 TYR HB2 . 17569 1 1067 . 1 1 110 110 TYR HB3 H 1 2.388 0.020 . 1 . . . A 264 TYR HB3 . 17569 1 1068 . 1 1 110 110 TYR HD1 H 1 6.654 0.020 . 1 . . . A 264 TYR HD1 . 17569 1 1069 . 1 1 110 110 TYR HD2 H 1 6.654 0.020 . 1 . . . A 264 TYR HD2 . 17569 1 1070 . 1 1 110 110 TYR HE1 H 1 6.142 0.020 . 1 . . . A 264 TYR HE1 . 17569 1 1071 . 1 1 110 110 TYR HE2 H 1 6.142 0.020 . 1 . . . A 264 TYR HE2 . 17569 1 1072 . 1 1 110 110 TYR CA C 13 56.671 0.100 . 1 . . . A 264 TYR CA . 17569 1 1073 . 1 1 110 110 TYR CB C 13 39.008 0.100 . 1 . . . A 264 TYR CB . 17569 1 1074 . 1 1 110 110 TYR CD1 C 13 132.434 0.100 . 1 . . . A 264 TYR CD1 . 17569 1 1075 . 1 1 110 110 TYR CD2 C 13 132.434 0.100 . 1 . . . A 264 TYR CD2 . 17569 1 1076 . 1 1 110 110 TYR CE1 C 13 117.249 0.100 . 1 . . . A 264 TYR CE1 . 17569 1 1077 . 1 1 110 110 TYR CE2 C 13 117.249 0.100 . 1 . . . A 264 TYR CE2 . 17569 1 1078 . 1 1 110 110 TYR N N 15 126.600 0.100 . 1 . . . A 264 TYR N . 17569 1 1079 . 1 1 111 111 CYS H H 1 8.586 0.020 . 1 . . . A 265 CYS H . 17569 1 1080 . 1 1 111 111 CYS HB2 H 1 3.067 0.020 . 2 . . . A 265 CYS HB2 . 17569 1 1081 . 1 1 111 111 CYS HB3 H 1 3.195 0.020 . 2 . . . A 265 CYS HB3 . 17569 1 1082 . 1 1 111 111 CYS N N 15 124.622 0.100 . 1 . . . A 265 CYS N . 17569 1 1083 . 1 1 112 112 TYR HA H 1 4.192 0.020 . 1 . . . A 266 TYR HA . 17569 1 1084 . 1 1 112 112 TYR HB2 H 1 1.844 0.020 . 2 . . . A 266 TYR HB2 . 17569 1 1085 . 1 1 112 112 TYR HB3 H 1 3.047 0.020 . 2 . . . A 266 TYR HB3 . 17569 1 1086 . 1 1 112 112 TYR HD1 H 1 6.893 0.020 . 1 . . . A 266 TYR HD1 . 17569 1 1087 . 1 1 112 112 TYR HD2 H 1 6.893 0.020 . 1 . . . A 266 TYR HD2 . 17569 1 1088 . 1 1 112 112 TYR HE1 H 1 6.754 0.020 . 1 . . . A 266 TYR HE1 . 17569 1 1089 . 1 1 112 112 TYR HE2 H 1 6.754 0.020 . 1 . . . A 266 TYR HE2 . 17569 1 1090 . 1 1 112 112 TYR HH H 1 11.037 0.020 . 1 . . . A 266 TYR HH . 17569 1 1091 . 1 1 112 112 TYR CA C 13 57.715 0.100 . 1 . . . A 266 TYR CA . 17569 1 1092 . 1 1 112 112 TYR CB C 13 37.920 0.100 . 1 . . . A 266 TYR CB . 17569 1 1093 . 1 1 112 112 TYR CD1 C 13 132.810 0.100 . 1 . . . A 266 TYR CD1 . 17569 1 1094 . 1 1 112 112 TYR CD2 C 13 132.810 0.100 . 1 . . . A 266 TYR CD2 . 17569 1 1095 . 1 1 112 112 TYR CE1 C 13 117.960 0.100 . 1 . . . A 266 TYR CE1 . 17569 1 1096 . 1 1 112 112 TYR CE2 C 13 117.960 0.100 . 1 . . . A 266 TYR CE2 . 17569 1 1097 . 1 1 113 113 ILE H H 1 9.160 0.020 . 1 . . . A 267 ILE H . 17569 1 1098 . 1 1 113 113 ILE HA H 1 3.950 0.020 . 1 . . . A 267 ILE HA . 17569 1 1099 . 1 1 113 113 ILE HB H 1 2.222 0.020 . 1 . . . A 267 ILE HB . 17569 1 1100 . 1 1 113 113 ILE HG12 H 1 1.367 0.020 . 2 . . . A 267 ILE HG12 . 17569 1 1101 . 1 1 113 113 ILE HG13 H 1 1.643 0.020 . 2 . . . A 267 ILE HG13 . 17569 1 1102 . 1 1 113 113 ILE HG21 H 1 0.893 0.020 . 1 . . . A 267 ILE HG21 . 17569 1 1103 . 1 1 113 113 ILE HG22 H 1 0.893 0.020 . 1 . . . A 267 ILE HG22 . 17569 1 1104 . 1 1 113 113 ILE HG23 H 1 0.893 0.020 . 1 . . . A 267 ILE HG23 . 17569 1 1105 . 1 1 113 113 ILE HD11 H 1 0.752 0.020 . 1 . . . A 267 ILE HD11 . 17569 1 1106 . 1 1 113 113 ILE HD12 H 1 0.752 0.020 . 1 . . . A 267 ILE HD12 . 17569 1 1107 . 1 1 113 113 ILE HD13 H 1 0.752 0.020 . 1 . . . A 267 ILE HD13 . 17569 1 1108 . 1 1 113 113 ILE CA C 13 61.249 0.100 . 1 . . . A 267 ILE CA . 17569 1 1109 . 1 1 113 113 ILE CB C 13 35.533 0.100 . 1 . . . A 267 ILE CB . 17569 1 1110 . 1 1 113 113 ILE CG2 C 13 16.873 0.100 . 1 . . . A 267 ILE CG2 . 17569 1 1111 . 1 1 113 113 ILE CD1 C 13 9.800 0.100 . 1 . . . A 267 ILE CD1 . 17569 1 1112 . 1 1 113 113 ILE N N 15 119.504 0.100 . 1 . . . A 267 ILE N . 17569 1 1113 . 1 1 114 114 CYS H H 1 7.818 0.020 . 1 . . . A 268 CYS H . 17569 1 1114 . 1 1 114 114 CYS HA H 1 3.814 0.020 . 1 . . . A 268 CYS HA . 17569 1 1115 . 1 1 114 114 CYS HB2 H 1 2.798 0.020 . 1 . . . A 268 CYS HB2 . 17569 1 1116 . 1 1 114 114 CYS HB3 H 1 3.056 0.020 . 1 . . . A 268 CYS HB3 . 17569 1 1117 . 1 1 114 114 CYS CA C 13 65.300 0.100 . 1 . . . A 268 CYS CA . 17569 1 1118 . 1 1 114 114 CYS CB C 13 29.721 0.100 . 1 . . . A 268 CYS CB . 17569 1 1119 . 1 1 114 114 CYS N N 15 124.100 0.100 . 1 . . . A 268 CYS N . 17569 1 1120 . 1 1 115 115 HIS H H 1 8.953 0.020 . 1 . . . A 269 HIS H . 17569 1 1121 . 1 1 115 115 HIS HA H 1 5.129 0.020 . 1 . . . A 269 HIS HA . 17569 1 1122 . 1 1 115 115 HIS HB2 H 1 2.560 0.020 . 2 . . . A 269 HIS HB2 . 17569 1 1123 . 1 1 115 115 HIS HB3 H 1 3.077 0.020 . 2 . . . A 269 HIS HB3 . 17569 1 1124 . 1 1 115 115 HIS HD2 H 1 6.973 0.020 . 1 . . . A 269 HIS HD2 . 17569 1 1125 . 1 1 115 115 HIS HE1 H 1 7.704 0.020 . 1 . . . A 269 HIS HE1 . 17569 1 1126 . 1 1 115 115 HIS CA C 13 52.161 0.100 . 1 . . . A 269 HIS CA . 17569 1 1127 . 1 1 115 115 HIS CB C 13 31.192 0.100 . 1 . . . A 269 HIS CB . 17569 1 1128 . 1 1 115 115 HIS CD2 C 13 118.387 0.100 . 1 . . . A 269 HIS CD2 . 17569 1 1129 . 1 1 115 115 HIS CE1 C 13 136.881 0.100 . 1 . . . A 269 HIS CE1 . 17569 1 1130 . 1 1 115 115 HIS N N 15 117.127 0.100 . 1 . . . A 269 HIS N . 17569 1 1131 . 1 1 116 116 PRO HA H 1 4.942 0.020 . 1 . . . A 270 PRO HA . 17569 1 1132 . 1 1 116 116 PRO HB2 H 1 1.961 0.020 . 2 . . . A 270 PRO HB2 . 17569 1 1133 . 1 1 116 116 PRO HB3 H 1 2.490 0.020 . 2 . . . A 270 PRO HB3 . 17569 1 1134 . 1 1 116 116 PRO HG2 H 1 1.803 0.020 . 2 . . . A 270 PRO HG2 . 17569 1 1135 . 1 1 116 116 PRO HG3 H 1 1.975 0.020 . 2 . . . A 270 PRO HG3 . 17569 1 1136 . 1 1 116 116 PRO HD2 H 1 3.351 0.020 . 2 . . . A 270 PRO HD2 . 17569 1 1137 . 1 1 116 116 PRO HD3 H 1 3.679 0.020 . 2 . . . A 270 PRO HD3 . 17569 1 1138 . 1 1 116 116 PRO CA C 13 63.308 0.100 . 1 . . . A 270 PRO CA . 17569 1 1139 . 1 1 116 116 PRO CB C 13 32.642 0.100 . 1 . . . A 270 PRO CB . 17569 1 1140 . 1 1 116 116 PRO CD C 13 50.606 0.100 . 1 . . . A 270 PRO CD . 17569 1 1141 . 1 1 117 117 GLU H H 1 8.402 0.020 . 1 . . . A 271 GLU H . 17569 1 1142 . 1 1 117 117 GLU HA H 1 4.020 0.020 . 1 . . . A 271 GLU HA . 17569 1 1143 . 1 1 117 117 GLU HB2 H 1 1.887 0.020 . 2 . . . A 271 GLU HB2 . 17569 1 1144 . 1 1 117 117 GLU HB3 H 1 2.009 0.020 . 2 . . . A 271 GLU HB3 . 17569 1 1145 . 1 1 117 117 GLU HG2 H 1 2.326 0.020 . 2 . . . A 271 GLU HG2 . 17569 1 1146 . 1 1 117 117 GLU HG3 H 1 2.431 0.020 . 2 . . . A 271 GLU HG3 . 17569 1 1147 . 1 1 117 117 GLU CA C 13 61.869 0.100 . 1 . . . A 271 GLU CA . 17569 1 1148 . 1 1 117 117 GLU CB C 13 27.051 0.100 . 1 . . . A 271 GLU CB . 17569 1 1149 . 1 1 117 117 GLU N N 15 123.504 0.100 . 1 . . . A 271 GLU N . 17569 1 1150 . 1 1 118 118 PRO HA H 1 4.542 0.020 . 1 . . . A 272 PRO HA . 17569 1 1151 . 1 1 118 118 PRO HB2 H 1 1.692 0.020 . 2 . . . A 272 PRO HB2 . 17569 1 1152 . 1 1 118 118 PRO HB3 H 1 2.759 0.020 . 2 . . . A 272 PRO HB3 . 17569 1 1153 . 1 1 118 118 PRO HG2 H 1 2.264 0.020 . 2 . . . A 272 PRO HG2 . 17569 1 1154 . 1 1 118 118 PRO HG3 H 1 2.438 0.020 . 2 . . . A 272 PRO HG3 . 17569 1 1155 . 1 1 118 118 PRO HD2 H 1 3.754 0.020 . 2 . . . A 272 PRO HD2 . 17569 1 1156 . 1 1 118 118 PRO HD3 H 1 3.499 0.020 . 2 . . . A 272 PRO HD3 . 17569 1 1157 . 1 1 118 118 PRO CA C 13 65.359 0.100 . 1 . . . A 272 PRO CA . 17569 1 1158 . 1 1 118 118 PRO CB C 13 32.142 0.100 . 1 . . . A 272 PRO CB . 17569 1 1159 . 1 1 118 118 PRO CD C 13 51.390 0.100 . 1 . . . A 272 PRO CD . 17569 1 1160 . 1 1 119 119 LEU H H 1 8.090 0.020 . 1 . . . A 273 LEU H . 17569 1 1161 . 1 1 119 119 LEU HA H 1 4.474 0.020 . 1 . . . A 273 LEU HA . 17569 1 1162 . 1 1 119 119 LEU HB2 H 1 1.644 0.020 . 1 . . . A 273 LEU HB2 . 17569 1 1163 . 1 1 119 119 LEU HB3 H 1 1.861 0.020 . 1 . . . A 273 LEU HB3 . 17569 1 1164 . 1 1 119 119 LEU HG H 1 1.381 0.020 . 1 . . . A 273 LEU HG . 17569 1 1165 . 1 1 119 119 LEU HD11 H 1 0.361 0.020 . 2 . . . A 273 LEU HD11 . 17569 1 1166 . 1 1 119 119 LEU HD12 H 1 0.361 0.020 . 2 . . . A 273 LEU HD12 . 17569 1 1167 . 1 1 119 119 LEU HD13 H 1 0.361 0.020 . 2 . . . A 273 LEU HD13 . 17569 1 1168 . 1 1 119 119 LEU HD21 H 1 0.438 0.020 . 2 . . . A 273 LEU HD21 . 17569 1 1169 . 1 1 119 119 LEU HD22 H 1 0.438 0.020 . 2 . . . A 273 LEU HD22 . 17569 1 1170 . 1 1 119 119 LEU HD23 H 1 0.438 0.020 . 2 . . . A 273 LEU HD23 . 17569 1 1171 . 1 1 119 119 LEU CB C 13 41.542 0.100 . 1 . . . A 273 LEU CB . 17569 1 1172 . 1 1 119 119 LEU CG C 13 27.800 0.100 . 1 . . . A 273 LEU CG . 17569 1 1173 . 1 1 119 119 LEU CD1 C 13 23.594 0.100 . 2 . . . A 273 LEU CD1 . 17569 1 1174 . 1 1 119 119 LEU CD2 C 13 26.366 0.100 . 2 . . . A 273 LEU CD2 . 17569 1 1175 . 1 1 119 119 LEU N N 15 112.296 0.100 . 1 . . . A 273 LEU N . 17569 1 1176 . 1 1 120 120 LEU H H 1 7.823 0.020 . 1 . . . A 274 LEU H . 17569 1 1177 . 1 1 120 120 LEU HA H 1 4.027 0.020 . 1 . . . A 274 LEU HA . 17569 1 1178 . 1 1 120 120 LEU HB2 H 1 1.739 0.020 . 2 . . . A 274 LEU HB2 . 17569 1 1179 . 1 1 120 120 LEU HB3 H 1 1.831 0.020 . 2 . . . A 274 LEU HB3 . 17569 1 1180 . 1 1 120 120 LEU HD11 H 1 0.973 0.020 . 2 . . . A 274 LEU HD11 . 17569 1 1181 . 1 1 120 120 LEU HD12 H 1 0.973 0.020 . 2 . . . A 274 LEU HD12 . 17569 1 1182 . 1 1 120 120 LEU HD13 H 1 0.973 0.020 . 2 . . . A 274 LEU HD13 . 17569 1 1183 . 1 1 120 120 LEU HD21 H 1 0.941 0.020 . 2 . . . A 274 LEU HD21 . 17569 1 1184 . 1 1 120 120 LEU HD22 H 1 0.941 0.020 . 2 . . . A 274 LEU HD22 . 17569 1 1185 . 1 1 120 120 LEU HD23 H 1 0.941 0.020 . 2 . . . A 274 LEU HD23 . 17569 1 1186 . 1 1 120 120 LEU CA C 13 59.301 0.100 . 1 . . . A 274 LEU CA . 17569 1 1187 . 1 1 120 120 LEU CB C 13 42.100 0.100 . 1 . . . A 274 LEU CB . 17569 1 1188 . 1 1 120 120 LEU CD1 C 13 23.802 0.100 . 2 . . . A 274 LEU CD1 . 17569 1 1189 . 1 1 120 120 LEU CD2 C 13 24.005 0.100 . 2 . . . A 274 LEU CD2 . 17569 1 1190 . 1 1 120 120 LEU N N 15 121.388 0.100 . 1 . . . A 274 LEU N . 17569 1 1191 . 1 1 121 121 ASP H H 1 8.694 0.020 . 1 . . . A 275 ASP H . 17569 1 1192 . 1 1 121 121 ASP HA H 1 4.541 0.020 . 1 . . . A 275 ASP HA . 17569 1 1193 . 1 1 121 121 ASP HB2 H 1 2.723 0.020 . 2 . . . A 275 ASP HB2 . 17569 1 1194 . 1 1 121 121 ASP HB3 H 1 2.856 0.020 . 2 . . . A 275 ASP HB3 . 17569 1 1195 . 1 1 121 121 ASP CA C 13 57.703 0.100 . 1 . . . A 275 ASP CA . 17569 1 1196 . 1 1 121 121 ASP CB C 13 39.443 0.100 . 1 . . . A 275 ASP CB . 17569 1 1197 . 1 1 121 121 ASP N N 15 118.600 0.100 . 1 . . . A 275 ASP N . 17569 1 1198 . 1 1 122 122 LEU H H 1 8.013 0.020 . 1 . . . A 276 LEU H . 17569 1 1199 . 1 1 122 122 LEU HA H 1 4.392 0.020 . 1 . . . A 276 LEU HA . 17569 1 1200 . 1 1 122 122 LEU HB2 H 1 1.789 0.020 . 2 . . . A 276 LEU HB2 . 17569 1 1201 . 1 1 122 122 LEU HB3 H 1 2.168 0.020 . 2 . . . A 276 LEU HB3 . 17569 1 1202 . 1 1 122 122 LEU HG H 1 2.003 0.020 . 1 . . . A 276 LEU HG . 17569 1 1203 . 1 1 122 122 LEU HD11 H 1 1.184 0.020 . 2 . . . A 276 LEU HD11 . 17569 1 1204 . 1 1 122 122 LEU HD12 H 1 1.184 0.020 . 2 . . . A 276 LEU HD12 . 17569 1 1205 . 1 1 122 122 LEU HD13 H 1 1.184 0.020 . 2 . . . A 276 LEU HD13 . 17569 1 1206 . 1 1 122 122 LEU HD21 H 1 1.263 0.020 . 2 . . . A 276 LEU HD21 . 17569 1 1207 . 1 1 122 122 LEU HD22 H 1 1.263 0.020 . 2 . . . A 276 LEU HD22 . 17569 1 1208 . 1 1 122 122 LEU HD23 H 1 1.263 0.020 . 2 . . . A 276 LEU HD23 . 17569 1 1209 . 1 1 122 122 LEU CA C 13 57.971 0.100 . 1 . . . A 276 LEU CA . 17569 1 1210 . 1 1 122 122 LEU CB C 13 42.542 0.100 . 1 . . . A 276 LEU CB . 17569 1 1211 . 1 1 122 122 LEU CD1 C 13 23.500 0.100 . 2 . . . A 276 LEU CD1 . 17569 1 1212 . 1 1 122 122 LEU CD2 C 13 26.899 0.100 . 2 . . . A 276 LEU CD2 . 17569 1 1213 . 1 1 122 122 LEU N N 15 123.192 0.100 . 1 . . . A 276 LEU N . 17569 1 1214 . 1 1 123 123 VAL H H 1 8.781 0.020 . 1 . . . A 277 VAL H . 17569 1 1215 . 1 1 123 123 VAL HA H 1 3.855 0.020 . 1 . . . A 277 VAL HA . 17569 1 1216 . 1 1 123 123 VAL HB H 1 2.248 0.020 . 1 . . . A 277 VAL HB . 17569 1 1217 . 1 1 123 123 VAL HG11 H 1 1.014 0.020 . 2 . . . A 277 VAL HG11 . 17569 1 1218 . 1 1 123 123 VAL HG12 H 1 1.014 0.020 . 2 . . . A 277 VAL HG12 . 17569 1 1219 . 1 1 123 123 VAL HG13 H 1 1.014 0.020 . 2 . . . A 277 VAL HG13 . 17569 1 1220 . 1 1 123 123 VAL HG21 H 1 1.000 0.020 . 2 . . . A 277 VAL HG21 . 17569 1 1221 . 1 1 123 123 VAL HG22 H 1 1.000 0.020 . 2 . . . A 277 VAL HG22 . 17569 1 1222 . 1 1 123 123 VAL HG23 H 1 1.000 0.020 . 2 . . . A 277 VAL HG23 . 17569 1 1223 . 1 1 123 123 VAL CA C 13 66.663 0.100 . 1 . . . A 277 VAL CA . 17569 1 1224 . 1 1 123 123 VAL CB C 13 32.058 0.100 . 1 . . . A 277 VAL CB . 17569 1 1225 . 1 1 123 123 VAL CG1 C 13 20.703 0.100 . 2 . . . A 277 VAL CG1 . 17569 1 1226 . 1 1 123 123 VAL CG2 C 13 22.571 0.100 . 2 . . . A 277 VAL CG2 . 17569 1 1227 . 1 1 123 123 VAL N N 15 126.898 0.100 . 1 . . . A 277 VAL N . 17569 1 1228 . 1 1 124 124 THR H H 1 8.722 0.020 . 1 . . . A 278 THR H . 17569 1 1229 . 1 1 124 124 THR HA H 1 4.030 0.020 . 1 . . . A 278 THR HA . 17569 1 1230 . 1 1 124 124 THR HB H 1 4.420 0.020 . 1 . . . A 278 THR HB . 17569 1 1231 . 1 1 124 124 THR HG21 H 1 1.353 0.020 . 1 . . . A 278 THR HG21 . 17569 1 1232 . 1 1 124 124 THR HG22 H 1 1.353 0.020 . 1 . . . A 278 THR HG22 . 17569 1 1233 . 1 1 124 124 THR HG23 H 1 1.353 0.020 . 1 . . . A 278 THR HG23 . 17569 1 1234 . 1 1 124 124 THR CA C 13 66.589 0.100 . 1 . . . A 278 THR CA . 17569 1 1235 . 1 1 124 124 THR CB C 13 68.410 0.100 . 1 . . . A 278 THR CB . 17569 1 1236 . 1 1 124 124 THR CG2 C 13 21.400 0.100 . 1 . . . A 278 THR CG2 . 17569 1 1237 . 1 1 124 124 THR N N 15 117.500 0.100 . 1 . . . A 278 THR N . 17569 1 1238 . 1 1 125 125 ALA H H 1 8.239 0.020 . 1 . . . A 279 ALA H . 17569 1 1239 . 1 1 125 125 ALA HA H 1 4.261 0.020 . 1 . . . A 279 ALA HA . 17569 1 1240 . 1 1 125 125 ALA HB1 H 1 1.665 0.020 . 1 . . . A 279 ALA HB1 . 17569 1 1241 . 1 1 125 125 ALA HB2 H 1 1.665 0.020 . 1 . . . A 279 ALA HB2 . 17569 1 1242 . 1 1 125 125 ALA HB3 H 1 1.665 0.020 . 1 . . . A 279 ALA HB3 . 17569 1 1243 . 1 1 125 125 ALA CA C 13 55.296 0.100 . 1 . . . A 279 ALA CA . 17569 1 1244 . 1 1 125 125 ALA CB C 13 17.949 0.100 . 1 . . . A 279 ALA CB . 17569 1 1245 . 1 1 125 125 ALA N N 15 124.700 0.100 . 1 . . . A 279 ALA N . 17569 1 1246 . 1 1 126 126 CYS H H 1 8.128 0.020 . 1 . . . A 280 CYS H . 17569 1 1247 . 1 1 126 126 CYS HA H 1 4.114 0.020 . 1 . . . A 280 CYS HA . 17569 1 1248 . 1 1 126 126 CYS HB2 H 1 3.411 0.020 . 1 . . . A 280 CYS HB2 . 17569 1 1249 . 1 1 126 126 CYS HB3 H 1 3.701 0.020 . 1 . . . A 280 CYS HB3 . 17569 1 1250 . 1 1 126 126 CYS CA C 13 62.103 0.100 . 1 . . . A 280 CYS CA . 17569 1 1251 . 1 1 126 126 CYS CB C 13 26.496 0.100 . 1 . . . A 280 CYS CB . 17569 1 1252 . 1 1 126 126 CYS N N 15 119.276 0.100 . 1 . . . A 280 CYS N . 17569 1 1253 . 1 1 127 127 ASN H H 1 8.725 0.020 . 1 . . . A 281 ASN H . 17569 1 1254 . 1 1 127 127 ASN HA H 1 4.560 0.020 . 1 . . . A 281 ASN HA . 17569 1 1255 . 1 1 127 127 ASN HB2 H 1 3.005 0.020 . 1 . . . A 281 ASN HB2 . 17569 1 1256 . 1 1 127 127 ASN HB3 H 1 3.254 0.020 . 1 . . . A 281 ASN HB3 . 17569 1 1257 . 1 1 127 127 ASN HD21 H 1 6.992 0.020 . 2 . . . A 281 ASN HD21 . 17569 1 1258 . 1 1 127 127 ASN HD22 H 1 7.891 0.020 . 2 . . . A 281 ASN HD22 . 17569 1 1259 . 1 1 127 127 ASN CA C 13 56.139 0.100 . 1 . . . A 281 ASN CA . 17569 1 1260 . 1 1 127 127 ASN CB C 13 36.965 0.100 . 1 . . . A 281 ASN CB . 17569 1 1261 . 1 1 127 127 ASN N N 15 118.000 0.100 . 1 . . . A 281 ASN N . 17569 1 1262 . 1 1 127 127 ASN ND2 N 15 111.995 0.100 . 1 . . . A 281 ASN ND2 . 17569 1 1263 . 1 1 128 128 SER H H 1 8.542 0.020 . 1 . . . A 282 SER H . 17569 1 1264 . 1 1 128 128 SER HA H 1 4.363 0.020 . 1 . . . A 282 SER HA . 17569 1 1265 . 1 1 128 128 SER HB2 H 1 4.083 0.020 . 2 . . . A 282 SER HB2 . 17569 1 1266 . 1 1 128 128 SER HB3 H 1 4.142 0.020 . 2 . . . A 282 SER HB3 . 17569 1 1267 . 1 1 128 128 SER CA C 13 61.899 0.100 . 1 . . . A 282 SER CA . 17569 1 1268 . 1 1 128 128 SER CB C 13 62.630 0.100 . 1 . . . A 282 SER CB . 17569 1 1269 . 1 1 128 128 SER N N 15 116.601 0.100 . 1 . . . A 282 SER N . 17569 1 1270 . 1 1 129 129 VAL H H 1 7.990 0.020 . 1 . . . A 283 VAL H . 17569 1 1271 . 1 1 129 129 VAL HA H 1 3.677 0.020 . 1 . . . A 283 VAL HA . 17569 1 1272 . 1 1 129 129 VAL HB H 1 2.260 0.020 . 1 . . . A 283 VAL HB . 17569 1 1273 . 1 1 129 129 VAL HG11 H 1 1.017 0.020 . 2 . . . A 283 VAL HG11 . 17569 1 1274 . 1 1 129 129 VAL HG12 H 1 1.017 0.020 . 2 . . . A 283 VAL HG12 . 17569 1 1275 . 1 1 129 129 VAL HG13 H 1 1.017 0.020 . 2 . . . A 283 VAL HG13 . 17569 1 1276 . 1 1 129 129 VAL HG21 H 1 0.637 0.020 . 2 . . . A 283 VAL HG21 . 17569 1 1277 . 1 1 129 129 VAL HG22 H 1 0.637 0.020 . 2 . . . A 283 VAL HG22 . 17569 1 1278 . 1 1 129 129 VAL HG23 H 1 0.637 0.020 . 2 . . . A 283 VAL HG23 . 17569 1 1279 . 1 1 129 129 VAL CA C 13 66.508 0.100 . 1 . . . A 283 VAL CA . 17569 1 1280 . 1 1 129 129 VAL CB C 13 31.218 0.100 . 1 . . . A 283 VAL CB . 17569 1 1281 . 1 1 129 129 VAL CG1 C 13 22.891 0.100 . 2 . . . A 283 VAL CG1 . 17569 1 1282 . 1 1 129 129 VAL CG2 C 13 21.750 0.100 . 2 . . . A 283 VAL CG2 . 17569 1 1283 . 1 1 129 129 VAL N N 15 123.272 0.100 . 1 . . . A 283 VAL N . 17569 1 1284 . 1 1 130 130 PHE H H 1 8.190 0.020 . 1 . . . A 284 PHE H . 17569 1 1285 . 1 1 130 130 PHE HA H 1 4.013 0.020 . 1 . . . A 284 PHE HA . 17569 1 1286 . 1 1 130 130 PHE HB2 H 1 3.086 0.020 . 2 . . . A 284 PHE HB2 . 17569 1 1287 . 1 1 130 130 PHE HB3 H 1 3.195 0.020 . 2 . . . A 284 PHE HB3 . 17569 1 1288 . 1 1 130 130 PHE HD1 H 1 7.496 0.020 . 1 . . . A 284 PHE HD1 . 17569 1 1289 . 1 1 130 130 PHE HD2 H 1 7.496 0.020 . 1 . . . A 284 PHE HD2 . 17569 1 1290 . 1 1 130 130 PHE HE1 H 1 7.082 0.020 . 1 . . . A 284 PHE HE1 . 17569 1 1291 . 1 1 130 130 PHE HE2 H 1 7.082 0.020 . 1 . . . A 284 PHE HE2 . 17569 1 1292 . 1 1 130 130 PHE HZ H 1 6.667 0.020 . 1 . . . A 284 PHE HZ . 17569 1 1293 . 1 1 130 130 PHE CA C 13 63.500 0.100 . 1 . . . A 284 PHE CA . 17569 1 1294 . 1 1 130 130 PHE CB C 13 38.996 0.100 . 1 . . . A 284 PHE CB . 17569 1 1295 . 1 1 130 130 PHE CD1 C 13 131.495 0.100 . 1 . . . A 284 PHE CD1 . 17569 1 1296 . 1 1 130 130 PHE CD2 C 13 131.495 0.100 . 1 . . . A 284 PHE CD2 . 17569 1 1297 . 1 1 130 130 PHE CE1 C 13 131.041 0.100 . 1 . . . A 284 PHE CE1 . 17569 1 1298 . 1 1 130 130 PHE CE2 C 13 131.041 0.100 . 1 . . . A 284 PHE CE2 . 17569 1 1299 . 1 1 130 130 PHE CZ C 13 128.716 0.100 . 1 . . . A 284 PHE CZ . 17569 1 1300 . 1 1 130 130 PHE N N 15 118.594 0.100 . 1 . . . A 284 PHE N . 17569 1 1301 . 1 1 131 131 GLU H H 1 8.699 0.020 . 1 . . . A 285 GLU H . 17569 1 1302 . 1 1 131 131 GLU HA H 1 4.205 0.020 . 1 . . . A 285 GLU HA . 17569 1 1303 . 1 1 131 131 GLU HB2 H 1 2.162 0.020 . 2 . . . A 285 GLU HB2 . 17569 1 1304 . 1 1 131 131 GLU HB3 H 1 2.232 0.020 . 2 . . . A 285 GLU HB3 . 17569 1 1305 . 1 1 131 131 GLU HG2 H 1 2.358 0.020 . 2 . . . A 285 GLU HG2 . 17569 1 1306 . 1 1 131 131 GLU HG3 H 1 2.479 0.020 . 2 . . . A 285 GLU HG3 . 17569 1 1307 . 1 1 131 131 GLU CA C 13 59.214 0.100 . 1 . . . A 285 GLU CA . 17569 1 1308 . 1 1 131 131 GLU CB C 13 29.500 0.100 . 1 . . . A 285 GLU CB . 17569 1 1309 . 1 1 131 131 GLU N N 15 120.905 0.100 . 1 . . . A 285 GLU N . 17569 1 1310 . 1 1 132 132 ASN H H 1 8.082 0.020 . 1 . . . A 286 ASN H . 17569 1 1311 . 1 1 132 132 ASN HA H 1 4.595 0.020 . 1 . . . A 286 ASN HA . 17569 1 1312 . 1 1 132 132 ASN HB2 H 1 2.866 0.020 . 2 . . . A 286 ASN HB2 . 17569 1 1313 . 1 1 132 132 ASN HB3 H 1 2.936 0.020 . 2 . . . A 286 ASN HB3 . 17569 1 1314 . 1 1 132 132 ASN HD21 H 1 6.967 0.020 . 2 . . . A 286 ASN HD21 . 17569 1 1315 . 1 1 132 132 ASN HD22 H 1 7.912 0.020 . 2 . . . A 286 ASN HD22 . 17569 1 1316 . 1 1 132 132 ASN CA C 13 55.615 0.100 . 1 . . . A 286 ASN CA . 17569 1 1317 . 1 1 132 132 ASN CB C 13 38.852 0.100 . 1 . . . A 286 ASN CB . 17569 1 1318 . 1 1 132 132 ASN N N 15 117.997 0.100 . 1 . . . A 286 ASN N . 17569 1 1319 . 1 1 132 132 ASN ND2 N 15 113.017 0.100 . 1 . . . A 286 ASN ND2 . 17569 1 1320 . 1 1 133 133 LEU H H 1 7.904 0.020 . 1 . . . A 287 LEU H . 17569 1 1321 . 1 1 133 133 LEU HA H 1 4.117 0.020 . 1 . . . A 287 LEU HA . 17569 1 1322 . 1 1 133 133 LEU HB2 H 1 1.674 0.020 . 1 . . . A 287 LEU HB2 . 17569 1 1323 . 1 1 133 133 LEU HB3 H 1 1.801 0.020 . 1 . . . A 287 LEU HB3 . 17569 1 1324 . 1 1 133 133 LEU HD11 H 1 0.720 0.020 . 2 . . . A 287 LEU HD11 . 17569 1 1325 . 1 1 133 133 LEU HD12 H 1 0.720 0.020 . 2 . . . A 287 LEU HD12 . 17569 1 1326 . 1 1 133 133 LEU HD13 H 1 0.720 0.020 . 2 . . . A 287 LEU HD13 . 17569 1 1327 . 1 1 133 133 LEU HD21 H 1 0.743 0.020 . 2 . . . A 287 LEU HD21 . 17569 1 1328 . 1 1 133 133 LEU HD22 H 1 0.743 0.020 . 2 . . . A 287 LEU HD22 . 17569 1 1329 . 1 1 133 133 LEU HD23 H 1 0.743 0.020 . 2 . . . A 287 LEU HD23 . 17569 1 1330 . 1 1 133 133 LEU CA C 13 57.798 0.100 . 1 . . . A 287 LEU CA . 17569 1 1331 . 1 1 133 133 LEU CD1 C 13 24.006 0.100 . 2 . . . A 287 LEU CD1 . 17569 1 1332 . 1 1 133 133 LEU CD2 C 13 24.619 0.100 . 2 . . . A 287 LEU CD2 . 17569 1 1333 . 1 1 133 133 LEU N N 15 120.800 0.100 . 1 . . . A 287 LEU N . 17569 1 1334 . 1 1 134 134 GLU H H 1 8.157 0.020 . 1 . . . A 288 GLU H . 17569 1 1335 . 1 1 134 134 GLU HA H 1 4.079 0.020 . 1 . . . A 288 GLU HA . 17569 1 1336 . 1 1 134 134 GLU HB2 H 1 2.202 0.020 . 1 . . . A 288 GLU HB2 . 17569 1 1337 . 1 1 134 134 GLU HB3 H 1 2.202 0.020 . 1 . . . A 288 GLU HB3 . 17569 1 1338 . 1 1 134 134 GLU HG2 H 1 2.382 0.020 . 2 . . . A 288 GLU HG2 . 17569 1 1339 . 1 1 134 134 GLU HG3 H 1 2.487 0.020 . 2 . . . A 288 GLU HG3 . 17569 1 1340 . 1 1 134 134 GLU CA C 13 58.997 0.100 . 1 . . . A 288 GLU CA . 17569 1 1341 . 1 1 134 134 GLU CB C 13 29.242 0.100 . 1 . . . A 288 GLU CB . 17569 1 1342 . 1 1 134 134 GLU N N 15 118.200 0.100 . 1 . . . A 288 GLU N . 17569 1 1343 . 1 1 135 135 GLN H H 1 7.869 0.020 . 1 . . . A 289 GLN H . 17569 1 1344 . 1 1 135 135 GLN HA H 1 4.174 0.020 . 1 . . . A 289 GLN HA . 17569 1 1345 . 1 1 135 135 GLN HB2 H 1 2.236 0.020 . 2 . . . A 289 GLN HB2 . 17569 1 1346 . 1 1 135 135 GLN HB3 H 1 2.204 0.020 . 2 . . . A 289 GLN HB3 . 17569 1 1347 . 1 1 135 135 GLN HG2 H 1 2.488 0.020 . 2 . . . A 289 GLN HG2 . 17569 1 1348 . 1 1 135 135 GLN HG3 H 1 2.584 0.020 . 2 . . . A 289 GLN HG3 . 17569 1 1349 . 1 1 135 135 GLN HE21 H 1 6.918 0.020 . 2 . . . A 289 GLN HE21 . 17569 1 1350 . 1 1 135 135 GLN HE22 H 1 7.620 0.020 . 2 . . . A 289 GLN HE22 . 17569 1 1351 . 1 1 135 135 GLN CA C 13 57.989 0.100 . 1 . . . A 289 GLN CA . 17569 1 1352 . 1 1 135 135 GLN CB C 13 28.080 0.100 . 1 . . . A 289 GLN CB . 17569 1 1353 . 1 1 135 135 GLN N N 15 117.400 0.100 . 1 . . . A 289 GLN N . 17569 1 1354 . 1 1 135 135 GLN NE2 N 15 112.088 0.100 . 1 . . . A 289 GLN NE2 . 17569 1 1355 . 1 1 136 136 LEU H H 1 7.968 0.020 . 1 . . . A 290 LEU H . 17569 1 1356 . 1 1 136 136 LEU HA H 1 4.173 0.020 . 1 . . . A 290 LEU HA . 17569 1 1357 . 1 1 136 136 LEU HB2 H 1 1.678 0.020 . 1 . . . A 290 LEU HB2 . 17569 1 1358 . 1 1 136 136 LEU HB3 H 1 1.867 0.020 . 1 . . . A 290 LEU HB3 . 17569 1 1359 . 1 1 136 136 LEU HD11 H 1 0.868 0.020 . 2 . . . A 290 LEU HD11 . 17569 1 1360 . 1 1 136 136 LEU HD12 H 1 0.868 0.020 . 2 . . . A 290 LEU HD12 . 17569 1 1361 . 1 1 136 136 LEU HD13 H 1 0.868 0.020 . 2 . . . A 290 LEU HD13 . 17569 1 1362 . 1 1 136 136 LEU HD21 H 1 0.877 0.020 . 2 . . . A 290 LEU HD21 . 17569 1 1363 . 1 1 136 136 LEU HD22 H 1 0.877 0.020 . 2 . . . A 290 LEU HD22 . 17569 1 1364 . 1 1 136 136 LEU HD23 H 1 0.877 0.020 . 2 . . . A 290 LEU HD23 . 17569 1 1365 . 1 1 136 136 LEU CA C 13 57.138 0.100 . 1 . . . A 290 LEU CA . 17569 1 1366 . 1 1 136 136 LEU CB C 13 42.000 0.100 . 1 . . . A 290 LEU CB . 17569 1 1367 . 1 1 136 136 LEU CD1 C 13 23.453 0.100 . 2 . . . A 290 LEU CD1 . 17569 1 1368 . 1 1 136 136 LEU CD2 C 13 24.894 0.100 . 2 . . . A 290 LEU CD2 . 17569 1 1369 . 1 1 136 136 LEU N N 15 121.000 0.100 . 1 . . . A 290 LEU N . 17569 1 1370 . 1 1 137 137 LEU H H 1 8.154 0.020 . 1 . . . A 291 LEU H . 17569 1 1371 . 1 1 137 137 LEU HA H 1 4.241 0.020 . 1 . . . A 291 LEU HA . 17569 1 1372 . 1 1 137 137 LEU HB2 H 1 1.624 0.020 . 2 . . . A 291 LEU HB2 . 17569 1 1373 . 1 1 137 137 LEU HB3 H 1 1.878 0.020 . 2 . . . A 291 LEU HB3 . 17569 1 1374 . 1 1 137 137 LEU HD11 H 1 0.908 0.020 . 2 . . . A 291 LEU HD11 . 17569 1 1375 . 1 1 137 137 LEU HD12 H 1 0.908 0.020 . 2 . . . A 291 LEU HD12 . 17569 1 1376 . 1 1 137 137 LEU HD13 H 1 0.908 0.020 . 2 . . . A 291 LEU HD13 . 17569 1 1377 . 1 1 137 137 LEU HD21 H 1 0.941 0.020 . 2 . . . A 291 LEU HD21 . 17569 1 1378 . 1 1 137 137 LEU HD22 H 1 0.941 0.020 . 2 . . . A 291 LEU HD22 . 17569 1 1379 . 1 1 137 137 LEU HD23 H 1 0.941 0.020 . 2 . . . A 291 LEU HD23 . 17569 1 1380 . 1 1 137 137 LEU CA C 13 56.360 0.100 . 1 . . . A 291 LEU CA . 17569 1 1381 . 1 1 137 137 LEU CB C 13 41.472 0.100 . 1 . . . A 291 LEU CB . 17569 1 1382 . 1 1 137 137 LEU CD1 C 13 22.624 0.100 . 2 . . . A 291 LEU CD1 . 17569 1 1383 . 1 1 137 137 LEU CD2 C 13 25.544 0.100 . 2 . . . A 291 LEU CD2 . 17569 1 1384 . 1 1 137 137 LEU N N 15 118.900 0.100 . 1 . . . A 291 LEU N . 17569 1 1385 . 1 1 138 138 GLN H H 1 7.896 0.020 . 1 . . . A 292 GLN H . 17569 1 1386 . 1 1 138 138 GLN HA H 1 4.272 0.020 . 1 . . . A 292 GLN HA . 17569 1 1387 . 1 1 138 138 GLN HB2 H 1 2.156 0.020 . 2 . . . A 292 GLN HB2 . 17569 1 1388 . 1 1 138 138 GLN HB3 H 1 2.241 0.020 . 2 . . . A 292 GLN HB3 . 17569 1 1389 . 1 1 138 138 GLN HG2 H 1 2.522 0.020 . 1 . . . A 292 GLN HG2 . 17569 1 1390 . 1 1 138 138 GLN HG3 H 1 2.522 0.020 . 1 . . . A 292 GLN HG3 . 17569 1 1391 . 1 1 138 138 GLN CA C 13 56.632 0.100 . 1 . . . A 292 GLN CA . 17569 1 1392 . 1 1 138 138 GLN CB C 13 28.584 0.100 . 1 . . . A 292 GLN CB . 17569 1 1393 . 1 1 138 138 GLN N N 15 117.993 0.100 . 1 . . . A 292 GLN N . 17569 1 1394 . 1 1 139 139 GLN H H 1 8.091 0.020 . 1 . . . A 293 GLN H . 17569 1 1395 . 1 1 139 139 GLN HA H 1 4.269 0.020 . 1 . . . A 293 GLN HA . 17569 1 1396 . 1 1 139 139 GLN HB2 H 1 2.157 0.020 . 2 . . . A 293 GLN HB2 . 17569 1 1397 . 1 1 139 139 GLN HB3 H 1 2.237 0.020 . 2 . . . A 293 GLN HB3 . 17569 1 1398 . 1 1 139 139 GLN HG2 H 1 2.529 0.020 . 1 . . . A 293 GLN HG2 . 17569 1 1399 . 1 1 139 139 GLN HG3 H 1 2.529 0.020 . 1 . . . A 293 GLN HG3 . 17569 1 1400 . 1 1 139 139 GLN CA C 13 56.454 0.100 . 1 . . . A 293 GLN CA . 17569 1 1401 . 1 1 139 139 GLN CB C 13 29.069 0.100 . 1 . . . A 293 GLN CB . 17569 1 1402 . 1 1 139 139 GLN N N 15 118.889 0.100 . 1 . . . A 293 GLN N . 17569 1 1403 . 1 1 140 140 ASN H H 1 8.273 0.020 . 1 . . . A 294 ASN H . 17569 1 1404 . 1 1 140 140 ASN HA H 1 4.759 0.020 . 1 . . . A 294 ASN HA . 17569 1 1405 . 1 1 140 140 ASN HB2 H 1 2.811 0.020 . 2 . . . A 294 ASN HB2 . 17569 1 1406 . 1 1 140 140 ASN HB3 H 1 2.917 0.020 . 2 . . . A 294 ASN HB3 . 17569 1 1407 . 1 1 140 140 ASN CA C 13 53.221 0.100 . 1 . . . A 294 ASN CA . 17569 1 1408 . 1 1 140 140 ASN CB C 13 38.733 0.100 . 1 . . . A 294 ASN CB . 17569 1 1409 . 1 1 140 140 ASN N N 15 118.604 0.100 . 1 . . . A 294 ASN N . 17569 1 1410 . 1 1 141 141 LYS H H 1 8.089 0.020 . 1 . . . A 295 LYS H . 17569 1 1411 . 1 1 141 141 LYS HA H 1 4.360 0.020 . 1 . . . A 295 LYS HA . 17569 1 1412 . 1 1 141 141 LYS HB2 H 1 1.813 0.020 . 2 . . . A 295 LYS HB2 . 17569 1 1413 . 1 1 141 141 LYS HB3 H 1 1.926 0.020 . 2 . . . A 295 LYS HB3 . 17569 1 1414 . 1 1 141 141 LYS HG2 H 1 1.472 0.020 . 1 . . . A 295 LYS HG2 . 17569 1 1415 . 1 1 141 141 LYS HG3 H 1 1.472 0.020 . 1 . . . A 295 LYS HG3 . 17569 1 1416 . 1 1 141 141 LYS CA C 13 56.173 0.100 . 1 . . . A 295 LYS CA . 17569 1 1417 . 1 1 141 141 LYS CB C 13 32.535 0.100 . 1 . . . A 295 LYS CB . 17569 1 1418 . 1 1 141 141 LYS N N 15 121.685 0.100 . 1 . . . A 295 LYS N . 17569 1 1419 . 1 1 142 142 LYS H H 1 8.024 0.020 . 1 . . . A 296 LYS H . 17569 1 1420 . 1 1 142 142 LYS HA H 1 4.208 0.020 . 1 . . . A 296 LYS HA . 17569 1 1421 . 1 1 142 142 LYS HB2 H 1 1.755 0.020 . 2 . . . A 296 LYS HB2 . 17569 1 1422 . 1 1 142 142 LYS HB3 H 1 1.878 0.020 . 2 . . . A 296 LYS HB3 . 17569 1 1423 . 1 1 142 142 LYS CA C 13 57.496 0.100 . 1 . . . A 296 LYS CA . 17569 1 1424 . 1 1 142 142 LYS CB C 13 33.544 0.100 . 1 . . . A 296 LYS CB . 17569 1 1425 . 1 1 142 142 LYS N N 15 128.090 0.100 . 1 . . . A 296 LYS N . 17569 1 1426 . 2 2 1 1 ALA HA H 1 4.514 0.020 . 1 . . . C 1 ALA HA . 17569 1 1427 . 2 2 1 1 ALA HB1 H 1 1.592 0.020 . 1 . . . C 1 ALA HB1 . 17569 1 1428 . 2 2 1 1 ALA HB2 H 1 1.592 0.020 . 1 . . . C 1 ALA HB2 . 17569 1 1429 . 2 2 1 1 ALA HB3 H 1 1.592 0.020 . 1 . . . C 1 ALA HB3 . 17569 1 1430 . 2 2 2 2 ARG H H 1 10.147 0.020 . 1 . . . C 2 ARG H . 17569 1 1431 . 2 2 2 2 ARG HA H 1 4.401 0.020 . 1 . . . C 2 ARG HA . 17569 1 1432 . 2 2 2 2 ARG HB2 H 1 1.834 0.020 . 1 . . . C 2 ARG HB2 . 17569 1 1433 . 2 2 2 2 ARG HB3 H 1 1.834 0.020 . 1 . . . C 2 ARG HB3 . 17569 1 1434 . 2 2 2 2 ARG HG2 H 1 1.664 0.020 . 1 . . . C 2 ARG HG2 . 17569 1 1435 . 2 2 2 2 ARG HG3 H 1 1.664 0.020 . 1 . . . C 2 ARG HG3 . 17569 1 1436 . 2 2 2 2 ARG HD2 H 1 3.352 0.020 . 2 . . . C 2 ARG HD2 . 17569 1 1437 . 2 2 2 2 ARG HD3 H 1 3.226 0.020 . 2 . . . C 2 ARG HD3 . 17569 1 1438 . 2 2 3 3 THR H H 1 8.321 0.020 . 1 . . . C 3 THR H . 17569 1 1439 . 2 2 3 3 THR HA H 1 5.608 0.020 . 1 . . . C 3 THR HA . 17569 1 1440 . 2 2 3 3 THR HB H 1 4.321 0.020 . 1 . . . C 3 THR HB . 17569 1 1441 . 2 2 3 3 THR HG21 H 1 1.226 0.020 . 1 . . . C 3 THR HG21 . 17569 1 1442 . 2 2 3 3 THR HG22 H 1 1.226 0.020 . 1 . . . C 3 THR HG22 . 17569 1 1443 . 2 2 3 3 THR HG23 H 1 1.226 0.020 . 1 . . . C 3 THR HG23 . 17569 1 1444 . 2 2 4 4 LYS H H 1 8.841 0.020 . 1 . . . C 4 LYS H . 17569 1 1445 . 2 2 4 4 LYS HA H 1 4.673 0.020 . 1 . . . C 4 LYS HA . 17569 1 1446 . 2 2 4 4 LYS HB2 H 1 1.814 0.020 . 2 . . . C 4 LYS HB2 . 17569 1 1447 . 2 2 4 4 LYS HB3 H 1 1.916 0.020 . 2 . . . C 4 LYS HB3 . 17569 1 1448 . 2 2 4 4 LYS HG2 H 1 1.266 0.020 . 1 . . . C 4 LYS HG2 . 17569 1 1449 . 2 2 4 4 LYS HG3 H 1 1.266 0.020 . 1 . . . C 4 LYS HG3 . 17569 1 1450 . 2 2 4 4 LYS HD2 H 1 1.647 0.020 . 1 . . . C 4 LYS HD2 . 17569 1 1451 . 2 2 4 4 LYS HD3 H 1 1.647 0.020 . 1 . . . C 4 LYS HD3 . 17569 1 1452 . 2 2 4 4 LYS HE2 H 1 2.803 0.020 . 1 . . . C 4 LYS HE2 . 17569 1 1453 . 2 2 4 4 LYS HE3 H 1 2.803 0.020 . 1 . . . C 4 LYS HE3 . 17569 1 1454 . 2 2 5 5 GLN H H 1 8.700 0.020 . 1 . . . C 5 GLN H . 17569 1 1455 . 2 2 5 5 GLN HA H 1 5.432 0.020 . 1 . . . C 5 GLN HA . 17569 1 1456 . 2 2 5 5 GLN HB2 H 1 2.061 0.020 . 1 . . . C 5 GLN HB2 . 17569 1 1457 . 2 2 5 5 GLN HB3 H 1 2.061 0.020 . 1 . . . C 5 GLN HB3 . 17569 1 1458 . 2 2 5 5 GLN HG2 H 1 2.329 0.020 . 1 . . . C 5 GLN HG2 . 17569 1 1459 . 2 2 5 5 GLN HG3 H 1 2.329 0.020 . 1 . . . C 5 GLN HG3 . 17569 1 1460 . 2 2 6 6 THR H H 1 9.659 0.020 . 1 . . . C 6 THR H . 17569 1 1461 . 2 2 6 6 THR HA H 1 4.668 0.020 . 1 . . . C 6 THR HA . 17569 1 1462 . 2 2 6 6 THR HB H 1 4.275 0.020 . 1 . . . C 6 THR HB . 17569 1 1463 . 2 2 6 6 THR HG21 H 1 1.229 0.020 . 1 . . . C 6 THR HG21 . 17569 1 1464 . 2 2 6 6 THR HG22 H 1 1.229 0.020 . 1 . . . C 6 THR HG22 . 17569 1 1465 . 2 2 6 6 THR HG23 H 1 1.229 0.020 . 1 . . . C 6 THR HG23 . 17569 1 1466 . 2 2 7 7 ALA H H 1 8.451 0.020 . 1 . . . C 7 ALA H . 17569 1 1467 . 2 2 7 7 ALA HA H 1 4.345 0.020 . 1 . . . C 7 ALA HA . 17569 1 1468 . 2 2 7 7 ALA HB1 H 1 1.458 0.020 . 1 . . . C 7 ALA HB1 . 17569 1 1469 . 2 2 7 7 ALA HB2 H 1 1.458 0.020 . 1 . . . C 7 ALA HB2 . 17569 1 1470 . 2 2 7 7 ALA HB3 H 1 1.458 0.020 . 1 . . . C 7 ALA HB3 . 17569 1 1471 . 2 2 8 8 ARG H H 1 8.335 0.020 . 1 . . . C 8 ARG H . 17569 1 1472 . 2 2 8 8 ARG HA H 1 4.352 0.020 . 1 . . . C 8 ARG HA . 17569 1 1473 . 2 2 8 8 ARG HB2 H 1 1.793 0.020 . 2 . . . C 8 ARG HB2 . 17569 1 1474 . 2 2 8 8 ARG HB3 H 1 1.885 0.020 . 2 . . . C 8 ARG HB3 . 17569 1 1475 . 2 2 8 8 ARG HG2 H 1 1.732 0.020 . 1 . . . C 8 ARG HG2 . 17569 1 1476 . 2 2 8 8 ARG HG3 H 1 1.732 0.020 . 1 . . . C 8 ARG HG3 . 17569 1 1477 . 2 2 8 8 ARG HD2 H 1 3.017 0.020 . 1 . . . C 8 ARG HD2 . 17569 1 1478 . 2 2 8 8 ARG HD3 H 1 3.017 0.020 . 1 . . . C 8 ARG HD3 . 17569 1 1479 . 2 2 9 9 M3L HA H 1 4.205 0.020 . 1 . . . C 9 M3L HA . 17569 1 1480 . 2 2 9 9 M3L HB2 H 1 1.897 0.020 . 1 . . . . 9 M3L HB* . 17569 1 1481 . 2 2 9 9 M3L HB3 H 1 1.897 0.020 . 1 . . . . 9 M3L HB* . 17569 1 1482 . 2 2 9 9 M3L HE2 H 1 3.232 0.020 . 1 . . . . 9 M3L HE* . 17569 1 1483 . 2 2 9 9 M3L HE3 H 1 3.232 0.020 . 1 . . . . 9 M3L HE* . 17569 1 1484 . 2 2 9 9 M3L HM11 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1485 . 2 2 9 9 M3L HM12 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1486 . 2 2 9 9 M3L HM13 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1487 . 2 2 9 9 M3L HM21 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1488 . 2 2 9 9 M3L HM22 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1489 . 2 2 9 9 M3L HM23 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1490 . 2 2 9 9 M3L HM31 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1491 . 2 2 9 9 M3L HM32 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 1492 . 2 2 9 9 M3L HM33 H 1 2.569 0.020 . 1 . . . . 9 M3L HM* . 17569 1 stop_ save_