data_34030 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34030 _Entry.Title ; Solution NMR structure of farnesylated PEX19, C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-04 _Entry.Accession_date 2016-08-04 _Entry.Last_release_date 2017-03-07 _Entry.Original_release_date 2017-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Emmanouilidis L. . . . 34030 2 U. Schuetz U. . . . 34030 3 K. Tripsianes K. . . . 34030 4 T. Madl T. . . . 34030 5 J. Radke J. . . . 34030 6 R. Rucktaeschel R. . . . 34030 7 M. Wilmanns M. . . . 34030 8 W. Schliebs W. . . . 34030 9 R. Erdmann R. . . . 34030 10 M. Sattler M. . . . 34030 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PEX19 . 34030 allostery . 34030 chaperone . 34030 farnesylation . 34030 'post translational modification' . 34030 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34030 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 486 34030 '15N chemical shifts' 145 34030 '1H chemical shifts' 1019 34030 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 . . 2018-04-17 2016-08-04 update BMRB 'update entry citation' 34030 1 . . 2017-03-08 2016-08-04 original author 'original release' 34030 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LNF 'BMRB Entry Tracking System' 34030 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34030 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/ncomms14635 _Citation.PubMed_ID 28281558 _Citation.Full_citation . _Citation.Title ; Allosteric modulation of peroxisomal membrane protein recognition by farnesylation of the peroxisomal import receptor PEX19. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 14635 _Citation.Page_last 14635 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leonidas Emmanouilidis L. . . . 34030 1 2 Ulrike Schutz U. . . . 34030 1 3 Konstantinos Tripsianes K. . . . 34030 1 4 Tobias Madl T. . . . 34030 1 5 Juliane Radke J. . . . 34030 1 6 Robert Rucktaschel R. . . . 34030 1 7 Matthias Wilmanns M. . . . 34030 1 8 Wolfgang Schliebs W. . . . 34030 1 9 Ralf Erdmann R. . . . 34030 1 10 Michael Sattler M. . . . 34030 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34030 _Assembly.ID 1 _Assembly.Name 'Peroxisomal biogenesis factor 19' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34030 1 2 entity_2 2 $entity_FAR B A no . . . . . . 34030 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 CYS 136 136 SG . 2 . 2 FAR 1 1 C1 . . . 296 CYS SG . . . 1 FAR C1 34030 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 136 136 HG . 296 CYS HG 34030 1 2 . 2 2 FAR 1 1 H13 . 1 FAR H13 34030 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34030 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMDEGDGEGNILPIMQSIMQ NLLSKDVLYPSLKEITEKYP EWLQSHRESLPPEQFEKYQE QHSVMCKICEQFEAETPTDS ETTQKARFEMVLDLMQQLQD LGHPPKELAGEMPPGLNFDL DALNLSGPPGASGEQCLIM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 161-299' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15664.643 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '33 kDa housekeeping protein' na 34030 1 Peroxin-19 na 34030 1 'Peroxisomal farnesylated protein' na 34030 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 1 161 GLY . 34030 1 2 162 MET . 34030 1 3 163 ASP . 34030 1 4 164 GLU . 34030 1 5 165 GLY . 34030 1 6 166 ASP . 34030 1 7 167 GLY . 34030 1 8 168 GLU . 34030 1 9 169 GLY . 34030 1 10 170 ASN . 34030 1 11 171 ILE . 34030 1 12 172 LEU . 34030 1 13 173 PRO . 34030 1 14 174 ILE . 34030 1 15 175 MET . 34030 1 16 176 GLN . 34030 1 17 177 SER . 34030 1 18 178 ILE . 34030 1 19 179 MET . 34030 1 20 180 GLN . 34030 1 21 181 ASN . 34030 1 22 182 LEU . 34030 1 23 183 LEU . 34030 1 24 184 SER . 34030 1 25 185 LYS . 34030 1 26 186 ASP . 34030 1 27 187 VAL . 34030 1 28 188 LEU . 34030 1 29 189 TYR . 34030 1 30 190 PRO . 34030 1 31 191 SER . 34030 1 32 192 LEU . 34030 1 33 193 LYS . 34030 1 34 194 GLU . 34030 1 35 195 ILE . 34030 1 36 196 THR . 34030 1 37 197 GLU . 34030 1 38 198 LYS . 34030 1 39 199 TYR . 34030 1 40 200 PRO . 34030 1 41 201 GLU . 34030 1 42 202 TRP . 34030 1 43 203 LEU . 34030 1 44 204 GLN . 34030 1 45 205 SER . 34030 1 46 206 HIS . 34030 1 47 207 ARG . 34030 1 48 208 GLU . 34030 1 49 209 SER . 34030 1 50 210 LEU . 34030 1 51 211 PRO . 34030 1 52 212 PRO . 34030 1 53 213 GLU . 34030 1 54 214 GLN . 34030 1 55 215 PHE . 34030 1 56 216 GLU . 34030 1 57 217 LYS . 34030 1 58 218 TYR . 34030 1 59 219 GLN . 34030 1 60 220 GLU . 34030 1 61 221 GLN . 34030 1 62 222 HIS . 34030 1 63 223 SER . 34030 1 64 224 VAL . 34030 1 65 225 MET . 34030 1 66 226 CYS . 34030 1 67 227 LYS . 34030 1 68 228 ILE . 34030 1 69 229 CYS . 34030 1 70 230 GLU . 34030 1 71 231 GLN . 34030 1 72 232 PHE . 34030 1 73 233 GLU . 34030 1 74 234 ALA . 34030 1 75 235 GLU . 34030 1 76 236 THR . 34030 1 77 237 PRO . 34030 1 78 238 THR . 34030 1 79 239 ASP . 34030 1 80 240 SER . 34030 1 81 241 GLU . 34030 1 82 242 THR . 34030 1 83 243 THR . 34030 1 84 244 GLN . 34030 1 85 245 LYS . 34030 1 86 246 ALA . 34030 1 87 247 ARG . 34030 1 88 248 PHE . 34030 1 89 249 GLU . 34030 1 90 250 MET . 34030 1 91 251 VAL . 34030 1 92 252 LEU . 34030 1 93 253 ASP . 34030 1 94 254 LEU . 34030 1 95 255 MET . 34030 1 96 256 GLN . 34030 1 97 257 GLN . 34030 1 98 258 LEU . 34030 1 99 259 GLN . 34030 1 100 260 ASP . 34030 1 101 261 LEU . 34030 1 102 262 GLY . 34030 1 103 263 HIS . 34030 1 104 264 PRO . 34030 1 105 265 PRO . 34030 1 106 266 LYS . 34030 1 107 267 GLU . 34030 1 108 268 LEU . 34030 1 109 269 ALA . 34030 1 110 270 GLY . 34030 1 111 271 GLU . 34030 1 112 272 MET . 34030 1 113 273 PRO . 34030 1 114 274 PRO . 34030 1 115 275 GLY . 34030 1 116 276 LEU . 34030 1 117 277 ASN . 34030 1 118 278 PHE . 34030 1 119 279 ASP . 34030 1 120 280 LEU . 34030 1 121 281 ASP . 34030 1 122 282 ALA . 34030 1 123 283 LEU . 34030 1 124 284 ASN . 34030 1 125 285 LEU . 34030 1 126 286 SER . 34030 1 127 287 GLY . 34030 1 128 288 PRO . 34030 1 129 289 PRO . 34030 1 130 290 GLY . 34030 1 131 291 ALA . 34030 1 132 292 SER . 34030 1 133 293 GLY . 34030 1 134 294 GLU . 34030 1 135 295 GLN . 34030 1 136 296 CYS . 34030 1 137 297 LEU . 34030 1 138 298 ILE . 34030 1 139 299 MET . 34030 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 34030 1 . MET 2 2 34030 1 . ASP 3 3 34030 1 . GLU 4 4 34030 1 . GLY 5 5 34030 1 . ASP 6 6 34030 1 . GLY 7 7 34030 1 . GLU 8 8 34030 1 . GLY 9 9 34030 1 . ASN 10 10 34030 1 . ILE 11 11 34030 1 . LEU 12 12 34030 1 . PRO 13 13 34030 1 . ILE 14 14 34030 1 . MET 15 15 34030 1 . GLN 16 16 34030 1 . SER 17 17 34030 1 . ILE 18 18 34030 1 . MET 19 19 34030 1 . GLN 20 20 34030 1 . ASN 21 21 34030 1 . LEU 22 22 34030 1 . LEU 23 23 34030 1 . SER 24 24 34030 1 . LYS 25 25 34030 1 . ASP 26 26 34030 1 . VAL 27 27 34030 1 . LEU 28 28 34030 1 . TYR 29 29 34030 1 . PRO 30 30 34030 1 . SER 31 31 34030 1 . LEU 32 32 34030 1 . LYS 33 33 34030 1 . GLU 34 34 34030 1 . ILE 35 35 34030 1 . THR 36 36 34030 1 . GLU 37 37 34030 1 . LYS 38 38 34030 1 . TYR 39 39 34030 1 . PRO 40 40 34030 1 . GLU 41 41 34030 1 . TRP 42 42 34030 1 . LEU 43 43 34030 1 . GLN 44 44 34030 1 . SER 45 45 34030 1 . HIS 46 46 34030 1 . ARG 47 47 34030 1 . GLU 48 48 34030 1 . SER 49 49 34030 1 . LEU 50 50 34030 1 . PRO 51 51 34030 1 . PRO 52 52 34030 1 . GLU 53 53 34030 1 . GLN 54 54 34030 1 . PHE 55 55 34030 1 . GLU 56 56 34030 1 . LYS 57 57 34030 1 . TYR 58 58 34030 1 . GLN 59 59 34030 1 . GLU 60 60 34030 1 . GLN 61 61 34030 1 . HIS 62 62 34030 1 . SER 63 63 34030 1 . VAL 64 64 34030 1 . MET 65 65 34030 1 . CYS 66 66 34030 1 . LYS 67 67 34030 1 . ILE 68 68 34030 1 . CYS 69 69 34030 1 . GLU 70 70 34030 1 . GLN 71 71 34030 1 . PHE 72 72 34030 1 . GLU 73 73 34030 1 . ALA 74 74 34030 1 . GLU 75 75 34030 1 . THR 76 76 34030 1 . PRO 77 77 34030 1 . THR 78 78 34030 1 . ASP 79 79 34030 1 . SER 80 80 34030 1 . GLU 81 81 34030 1 . THR 82 82 34030 1 . THR 83 83 34030 1 . GLN 84 84 34030 1 . LYS 85 85 34030 1 . ALA 86 86 34030 1 . ARG 87 87 34030 1 . PHE 88 88 34030 1 . GLU 89 89 34030 1 . MET 90 90 34030 1 . VAL 91 91 34030 1 . LEU 92 92 34030 1 . ASP 93 93 34030 1 . LEU 94 94 34030 1 . MET 95 95 34030 1 . GLN 96 96 34030 1 . GLN 97 97 34030 1 . LEU 98 98 34030 1 . GLN 99 99 34030 1 . ASP 100 100 34030 1 . LEU 101 101 34030 1 . GLY 102 102 34030 1 . HIS 103 103 34030 1 . PRO 104 104 34030 1 . PRO 105 105 34030 1 . LYS 106 106 34030 1 . GLU 107 107 34030 1 . LEU 108 108 34030 1 . ALA 109 109 34030 1 . GLY 110 110 34030 1 . GLU 111 111 34030 1 . MET 112 112 34030 1 . PRO 113 113 34030 1 . PRO 114 114 34030 1 . GLY 115 115 34030 1 . LEU 116 116 34030 1 . ASN 117 117 34030 1 . PHE 118 118 34030 1 . ASP 119 119 34030 1 . LEU 120 120 34030 1 . ASP 121 121 34030 1 . ALA 122 122 34030 1 . LEU 123 123 34030 1 . ASN 124 124 34030 1 . LEU 125 125 34030 1 . SER 126 126 34030 1 . GLY 127 127 34030 1 . PRO 128 128 34030 1 . PRO 129 129 34030 1 . GLY 130 130 34030 1 . ALA 131 131 34030 1 . SER 132 132 34030 1 . GLY 133 133 34030 1 . GLU 134 134 34030 1 . GLN 135 135 34030 1 . CYS 136 136 34030 1 . LEU 137 137 34030 1 . ILE 138 138 34030 1 . MET 139 139 34030 1 stop_ save_ save_entity_FAR _Entity.Sf_category entity _Entity.Sf_framecode entity_FAR _Entity.Entry_ID 34030 _Entity.ID 2 _Entity.BMRB_code FAR _Entity.Name entity_FAR _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FAR _Entity.Nonpolymer_comp_label $chem_comp_FAR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 206.367 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FARNESYL BMRB 34030 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID FARNESYL BMRB 34030 2 FAR 'Three letter code' 34030 2 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 1 FAR $chem_comp_FAR 34030 2 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 34030 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PEX19, HK33, PXF, OK/SW-cl.22' . 34030 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 34030 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34030 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FAR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FAR _Chem_comp.Entry_ID 34030 _Chem_comp.ID FAR _Chem_comp.Provenance PDB _Chem_comp.Name FARNESYL _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FAR _Chem_comp.PDB_code FAR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FAR _Chem_comp.Number_atoms_all 41 _Chem_comp.Number_atoms_nh 15 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+ _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C15 H26' _Chem_comp.Formula_weight 206.367 _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 1A0R _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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(=C/C)(\CC/C=C(/CC/C=C(\C)C)C)C SMILES ACDLabs 10.04 34030 FAR CC=C(C)CCC=C(C)CCC=C(C)C SMILES CACTVS 3.341 34030 FAR CC=C(C)CCC=C(C)CCC=C(C)C SMILES 'OpenEye OEToolkits' 1.5.0 34030 FAR C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34030 FAR C\C=C(C)\CC\C=C(C)\CCC=C(C)C SMILES_CANONICAL CACTVS 3.341 34030 FAR InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+ InChI InChI 1.03 34030 FAR JXBSHSBNOVLGHF-BUJBXKITSA-N InChIKey InChI 1.03 34030 FAR 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 (6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene 'SYSTEMATIC NAME' ACDLabs 10.04 34030 FAR (6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34030 FAR 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 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 1.538 . 26.469 . 27.839 . -0.683 1.321 5.673 1 . 34030 FAR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 2.429 . 27.443 . 28.566 . -0.658 1.033 4.194 2 . 34030 FAR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 2.958 . 27.125 . 29.768 . -0.714 -0.203 3.766 3 . 34030 FAR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 3.865 . 28.063 . 30.557 . -0.689 -0.490 2.287 4 . 34030 FAR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 4.828 . 28.718 . 29.587 . 0.758 -0.666 1.826 5 . 34030 FAR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 5.832 . 27.671 . 29.175 . 0.783 -0.954 0.347 6 . 34030 FAR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 7.107 . 28.030 . 28.953 . 1.537 -0.235 -0.447 7 . 34030 FAR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 8.226 . 27.078 . 28.529 . 1.440 -0.410 -1.940 8 . 34030 FAR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 9.455 . 27.884 . 28.160 . 0.383 0.545 -2.498 9 . 34030 FAR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 9.447 . 28.062 . 26.671 . 0.286 0.369 -3.992 10 . 34030 FAR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 9.390 . 29.233 . 26.003 . -0.877 0.149 -4.551 11 . 34030 FAR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 10.518 . 29.684 . 25.129 . -0.957 -0.190 -6.017 12 . 34030 FAR C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 8.195 . 30.139 . 26.097 . -2.137 0.236 -3.729 13 . 34030 FAR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 2.686 . 25.818 . 30.416 . -0.803 -1.338 4.753 14 . 34030 FAR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 7.477 . 29.459 . 29.127 . 2.501 0.767 0.132 15 . 34030 FAR H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . 1.101 . 26.731 . 26.847 . 0.169 0.838 6.151 16 . 34030 FAR H12A H12A H12A 2H1 . H . . N 0 . . . 0 no no . . . . 2.087 . 25.504 . 27.734 . -0.628 2.397 5.835 17 . 34030 FAR H13 H13 H13 3H1 . H . . N 0 . . . 1 no no . . . . 0.704 . 26.181 . 28.521 . -1.607 0.935 6.103 18 . 34030 FAR H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 2.709 . 28.444 . 28.197 . -0.594 1.847 3.487 19 . 34030 FAR H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 3.293 . 28.804 . 31.162 . -1.248 -1.403 2.085 20 . 34030 FAR H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 4.385 . 27.550 . 31.399 . -1.143 0.340 1.747 21 . 34030 FAR H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 4.315 . 29.195 . 28.719 . 1.318 0.246 2.028 22 . 34030 FAR H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 5.302 . 29.638 . 29.999 . 1.213 -1.497 2.365 23 . 34030 FAR H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 5.625 . 26.597 . 29.029 . 0.180 -1.753 -0.057 24 . 34030 FAR H91 H91 H91 1H9 . H . . N 0 . . . 1 no no . . . . 8.442 . 26.307 . 29.305 . 2.405 -0.190 -2.396 25 . 34030 FAR H92 H92 H92 2H9 . H . . N 0 . . . 1 no no . . . . 7.909 . 26.391 . 27.709 . 1.156 -1.438 -2.168 26 . 34030 FAR H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 9.523 . 28.849 . 28.712 . -0.581 0.325 -2.043 27 . 34030 FAR H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 10.401 . 27.431 . 28.538 . 0.667 1.572 -2.271 28 . 34030 FAR H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 9.488 . 27.212 . 25.968 . 1.176 0.425 -4.601 29 . 34030 FAR H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . 10.470 . 30.651 . 24.577 . -1.999 -0.337 -6.300 30 . 34030 FAR H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 11.450 . 29.681 . 25.740 . -0.533 0.625 -6.603 31 . 34030 FAR H143 H143 H143 3H14 . H . . N 0 . . . 0 no no . . . . 10.725 . 28.875 . 24.389 . -0.395 -1.104 -6.209 32 . 34030 FAR H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . 8.147 . 31.106 . 25.545 . -1.891 0.573 -2.722 33 . 34030 FAR H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . 7.293 . 29.544 . 25.821 . -2.824 0.944 -4.191 34 . 34030 FAR H153 H153 H153 3H15 . H . . N 0 . . . 0 no no . . . . 8.011 . 30.352 . 27.176 . -2.606 -0.745 -3.678 35 . 34030 FAR H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 3.122 . 25.555 . 31.407 . -0.809 -0.938 5.767 36 . 34030 FAR H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 1.580 . 25.693 . 30.484 . -1.721 -1.900 4.578 37 . 34030 FAR H43 H43 H43 3H4 . H . . N 0 . . . 1 no no . . . . 2.965 . 25.014 . 29.695 . 0.055 -1.997 4.627 38 . 34030 FAR H101 H101 H101 1H10 . H . . N 0 . . . 0 no no . . . . 8.535 . 29.757 . 28.942 . 2.492 0.693 1.219 39 . 34030 FAR H102 H102 H102 2H10 . H . . N 0 . . . 0 no no . . . . 6.807 . 30.087 . 28.495 . 3.506 0.561 -0.237 40 . 34030 FAR H103 H103 H103 3H10 . H . . N 0 . . . 0 no no . . . . 7.178 . 29.789 . 30.149 . 2.204 1.772 -0.165 41 . 34030 FAR 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 C1 C2 no N 1 . 34030 FAR 2 . SING C1 H11 no N 2 . 34030 FAR 3 . SING C1 H12A no N 3 . 34030 FAR 4 . SING C1 H13 no N 4 . 34030 FAR 5 . DOUB C2 C3 no E 5 . 34030 FAR 6 . SING C2 H2 no N 6 . 34030 FAR 7 . SING C3 C5 no N 7 . 34030 FAR 8 . SING C3 C4 no N 8 . 34030 FAR 9 . SING C5 C6 no N 9 . 34030 FAR 10 . SING C5 H51 no N 10 . 34030 FAR 11 . SING C5 H52 no N 11 . 34030 FAR 12 . SING C6 C7 no N 12 . 34030 FAR 13 . SING C6 H61 no N 13 . 34030 FAR 14 . SING C6 H62 no N 14 . 34030 FAR 15 . DOUB C7 C8 no E 15 . 34030 FAR 16 . SING C7 H7 no N 16 . 34030 FAR 17 . SING C8 C9 no N 17 . 34030 FAR 18 . SING C8 C10 no N 18 . 34030 FAR 19 . SING C9 C11 no N 19 . 34030 FAR 20 . SING C9 H91 no N 20 . 34030 FAR 21 . SING C9 H92 no N 21 . 34030 FAR 22 . SING C11 C12 no N 22 . 34030 FAR 23 . SING C11 H111 no N 23 . 34030 FAR 24 . SING C11 H112 no N 24 . 34030 FAR 25 . DOUB C12 C13 no N 25 . 34030 FAR 26 . SING C12 H12 no N 26 . 34030 FAR 27 . SING C13 C14 no N 27 . 34030 FAR 28 . SING C13 C15 no N 28 . 34030 FAR 29 . SING C14 H141 no N 29 . 34030 FAR 30 . SING C14 H142 no N 30 . 34030 FAR 31 . SING C14 H143 no N 31 . 34030 FAR 32 . SING C15 H151 no N 32 . 34030 FAR 33 . SING C15 H152 no N 33 . 34030 FAR 34 . SING C15 H153 no N 34 . 34030 FAR 35 . SING C4 H41 no N 35 . 34030 FAR 36 . SING C4 H42 no N 36 . 34030 FAR 37 . SING C4 H43 no N 37 . 34030 FAR 38 . SING C10 H101 no N 38 . 34030 FAR 39 . SING C10 H102 no N 39 . 34030 FAR 40 . SING C10 H103 no N 40 . 34030 FAR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34030 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM {U-1H,13C,15N; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PEX19 '[U-1H; U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34030 1 2 farnesyl '[U-1H; U-12C]' . . 2 $entity_FAR . . 1 . . mM . . . . 34030 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34030 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM {U-2H,12C,15N; Leu-[1H,13C,15N]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PEX19 '[U-2H; U-12C; U-15N]; Leu-[1H,13C,15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34030 2 2 farnesyl '[U-1H; U-12C]' . . 2 $entity_FAR . . 1 . . mM . . . . 34030 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34030 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM {U-2H,12C,15N; Lle-[1H,13C,15N]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PEX19 '[U-2H; U-12C; U-15N]; Lle-[1H,13C,15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34030 3 2 farnesyl '[U-1H; U-12C]' . . 2 $entity_FAR . . 1 . . mM . . . . 34030 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34030 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM {U-2H,12C,15N; Met-[1H,13CH3,15N]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PEX19 '[U-2H; U-12C; U-15N]; Met-[1H,13CH3,15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34030 4 2 farnesyl '[U-1H; U-12C]' . . 2 $entity_FAR . . 1 . . mM . . . . 34030 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34030 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM {U-2H,12C,15N; Ile(delta1),Leu(delta),Val(gamma)-[13CH3]; farnesyl-[1H,12C]} PEX19, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PEX19 '[U-2H; U-12C; U-15N]; Ile(delta1),Leu(delta),Val(gamma)-[13CH3]' . . 1 $entity_1 . . 1 . . mM . . . . 34030 5 2 farnesyl '[U-1H; U-12C]' . . 2 $entity_FAR . . 1 . . mM . . . . 34030 5 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 34030 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34030 1 pH 6.5 . pH 34030 1 pressure 1 . atm 34030 1 temperature 298 . K 34030 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34030 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER A. T. ET.AL.' . . 34030 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34030 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34030 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34030 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34030 _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 NMR_spectrometer_1 Bruker AvanceIII . 750 . . . 34030 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 34030 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 34030 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34030 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34030 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34030 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34030 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34030 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34030 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34030 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34030 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34030 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34030 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34030 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D HNCA' . . . 34030 1 2 '3D HNCACB' . . . 34030 1 3 '3D CBCA(CO)NH' . . . 34030 1 4 '3D HCCH-TOCSY' . . . 34030 1 5 '3D 1H-13C NOESY' . . . 34030 1 6 '3D 1H-15N NOESY' . . . 34030 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.393 0.020 . 1 . . 2 . A 161 GLY H1 . 34030 1 2 . 1 1 1 1 GLY HA2 H 1 3.912 0.012 . 1 . . 3 . A 161 GLY HA2 . 34030 1 3 . 1 1 1 1 GLY HA3 H 1 3.912 0.012 . 1 . . 1413 . A 161 GLY HA2 . 34030 1 4 . 1 1 1 1 GLY N N 15 109.972 0.200 . 1 . . 1 . A 161 GLY N . 34030 1 5 . 1 1 2 2 MET H H 1 8.116 0.020 . 1 . . 5 . A 162 MET H . 34030 1 6 . 1 1 2 2 MET HA H 1 4.400 0.020 . 1 . . 7 . A 162 MET HA . 34030 1 7 . 1 1 2 2 MET HB2 H 1 1.894 0.020 . 1 . . 9 . A 162 MET HB2 . 34030 1 8 . 1 1 2 2 MET HB3 H 1 1.894 0.020 . 1 . . 1414 . A 162 MET HB3 . 34030 1 9 . 1 1 2 2 MET HG2 H 1 2.008 0.002 . 1 . . 1415 . A 162 MET HG2 . 34030 1 10 . 1 1 2 2 MET HG3 H 1 2.008 0.002 . 1 . . 11 . A 162 MET HG3 . 34030 1 11 . 1 1 2 2 MET CA C 13 55.449 0.200 . 1 . . 6 . A 162 MET CA . 34030 1 12 . 1 1 2 2 MET CB C 13 33.032 0.200 . 1 . . 8 . A 162 MET CB . 34030 1 13 . 1 1 2 2 MET CG C 13 32.947 0.051 . 1 . . 10 . A 162 MET CG . 34030 1 14 . 1 1 2 2 MET N N 15 119.678 0.129 . 1 . . 4 . A 162 MET N . 34030 1 15 . 1 1 3 3 ASP H H 1 8.387 0.010 . 1 . . 13 . A 163 ASP H . 34030 1 16 . 1 1 3 3 ASP HA H 1 4.500 0.020 . 1 . . 15 . A 163 ASP HA . 34030 1 17 . 1 1 3 3 ASP HB2 H 1 2.511 0.020 . 2 . . 17 . A 163 ASP HB2 . 34030 1 18 . 1 1 3 3 ASP HB3 H 1 2.626 0.020 . 2 . . 18 . A 163 ASP HB3 . 34030 1 19 . 1 1 3 3 ASP CA C 13 54.507 0.020 . 1 . . 14 . A 163 ASP CA . 34030 1 20 . 1 1 3 3 ASP CB C 13 41.291 0.054 . 1 . . 16 . A 163 ASP CB . 34030 1 21 . 1 1 3 3 ASP N N 15 121.328 0.003 . 1 . . 12 . A 163 ASP N . 34030 1 22 . 1 1 4 4 GLU H H 1 8.362 0.020 . 1 . . 20 . A 164 GLU H . 34030 1 23 . 1 1 4 4 GLU HA H 1 4.186 0.020 . 1 . . 21 . A 164 GLU HA . 34030 1 24 . 1 1 4 4 GLU N N 15 121.308 0.005 . 1 . . 19 . A 164 GLU N . 34030 1 25 . 1 1 5 5 GLY H H 1 8.372 0.020 . 1 . . 23 . A 165 GLY H . 34030 1 26 . 1 1 5 5 GLY HA2 H 1 3.881 0.003 . 1 . . 1416 . A 165 GLY HA2 . 34030 1 27 . 1 1 5 5 GLY HA3 H 1 3.881 0.003 . 1 . . 24 . A 165 GLY HA3 . 34030 1 28 . 1 1 5 5 GLY N N 15 109.513 0.038 . 1 . . 22 . A 165 GLY N . 34030 1 29 . 1 1 6 6 ASP H H 1 8.204 0.001 . 1 . . 26 . A 166 ASP H . 34030 1 30 . 1 1 6 6 ASP HA H 1 4.545 0.020 . 1 . . 28 . A 166 ASP HA . 34030 1 31 . 1 1 6 6 ASP HB2 H 1 2.605 0.008 . 1 . . 1417 . A 166 ASP HB2 . 34030 1 32 . 1 1 6 6 ASP HB3 H 1 2.605 0.008 . 1 . . 30 . A 166 ASP HB3 . 34030 1 33 . 1 1 6 6 ASP CA C 13 54.449 0.002 . 1 . . 27 . A 166 ASP CA . 34030 1 34 . 1 1 6 6 ASP CB C 13 41.373 0.040 . 1 . . 29 . A 166 ASP CB . 34030 1 35 . 1 1 6 6 ASP N N 15 120.313 0.043 . 1 . . 25 . A 166 ASP N . 34030 1 36 . 1 1 7 7 GLY H H 1 8.357 0.040 . 1 . . 32 . A 167 GLY H . 34030 1 37 . 1 1 7 7 GLY HA2 H 1 3.885 0.004 . 1 . . 1418 . A 167 GLY HA2 . 34030 1 38 . 1 1 7 7 GLY HA3 H 1 3.885 0.004 . 1 . . 34 . A 167 GLY HA3 . 34030 1 39 . 1 1 7 7 GLY CA C 13 45.494 0.046 . 1 . . 33 . A 167 GLY CA . 34030 1 40 . 1 1 7 7 GLY N N 15 109.211 0.028 . 1 . . 31 . A 167 GLY N . 34030 1 41 . 1 1 8 8 GLU H H 1 8.283 0.006 . 1 . . 36 . A 168 GLU H . 34030 1 42 . 1 1 8 8 GLU HA H 1 4.190 0.013 . 1 . . 38 . A 168 GLU HA . 34030 1 43 . 1 1 8 8 GLU HB2 H 1 1.994 0.020 . 2 . . 40 . A 168 GLU HB2 . 34030 1 44 . 1 1 8 8 GLU HB3 H 1 1.853 0.020 . 2 . . 41 . A 168 GLU HB3 . 34030 1 45 . 1 1 8 8 GLU HG2 H 1 2.152 0.020 . 1 . . 1419 . A 168 GLU HG2 . 34030 1 46 . 1 1 8 8 GLU HG3 H 1 2.152 0.020 . 1 . . 42 . A 168 GLU HG3 . 34030 1 47 . 1 1 8 8 GLU CA C 13 56.855 0.057 . 1 . . 37 . A 168 GLU CA . 34030 1 48 . 1 1 8 8 GLU CB C 13 30.268 0.061 . 1 . . 39 . A 168 GLU CB . 34030 1 49 . 1 1 8 8 GLU N N 15 120.442 0.106 . 1 . . 35 . A 168 GLU N . 34030 1 50 . 1 1 9 9 GLY H H 1 8.381 0.020 . 1 . . 44 . A 169 GLY H . 34030 1 51 . 1 1 9 9 GLY HA2 H 1 3.839 0.020 . 1 . . 1420 . A 169 GLY HA2 . 34030 1 52 . 1 1 9 9 GLY HA3 H 1 3.839 0.020 . 1 . . 46 . A 169 GLY HA3 . 34030 1 53 . 1 1 9 9 GLY CA C 13 45.514 0.200 . 1 . . 45 . A 169 GLY CA . 34030 1 54 . 1 1 9 9 GLY N N 15 109.334 0.102 . 1 . . 43 . A 169 GLY N . 34030 1 55 . 1 1 10 10 ASN H H 1 8.199 0.023 . 1 . . 48 . A 170 ASN H . 34030 1 56 . 1 1 10 10 ASN HA H 1 4.633 0.009 . 1 . . 50 . A 170 ASN HA . 34030 1 57 . 1 1 10 10 ASN HB2 H 1 2.694 0.007 . 2 . . 52 . A 170 ASN HB2 . 34030 1 58 . 1 1 10 10 ASN HB3 H 1 2.626 0.003 . 2 . . 53 . A 170 ASN HB3 . 34030 1 59 . 1 1 10 10 ASN HD21 H 1 6.821 0.004 . 1 . . 55 . A 170 ASN HD21 . 34030 1 60 . 1 1 10 10 ASN HD22 H 1 7.542 0.015 . 1 . . 56 . A 170 ASN HD22 . 34030 1 61 . 1 1 10 10 ASN CA C 13 53.259 0.200 . 1 . . 49 . A 170 ASN CA . 34030 1 62 . 1 1 10 10 ASN CB C 13 39.071 0.066 . 1 . . 51 . A 170 ASN CB . 34030 1 63 . 1 1 10 10 ASN N N 15 118.573 0.067 . 1 . . 47 . A 170 ASN N . 34030 1 64 . 1 1 10 10 ASN ND2 N 15 112.919 0.027 . 1 . . 54 . A 170 ASN ND2 . 34030 1 65 . 1 1 11 11 ILE H H 1 8.049 0.022 . 1 . . 58 . A 171 ILE H . 34030 1 66 . 1 1 11 11 ILE HA H 1 4.084 0.011 . 1 . . 60 . A 171 ILE HA . 34030 1 67 . 1 1 11 11 ILE HB H 1 1.767 0.005 . 1 . . 62 . A 171 ILE HB . 34030 1 68 . 1 1 11 11 ILE HG12 H 1 1.342 0.008 . 2 . . 66 . A 171 ILE HG12 . 34030 1 69 . 1 1 11 11 ILE HG13 H 1 1.081 0.014 . 2 . . 67 . A 171 ILE HG13 . 34030 1 70 . 1 1 11 11 ILE HG21 H 1 0.784 0.003 . 1 . . 63 . A 171 ILE HG21 . 34030 1 71 . 1 1 11 11 ILE HG22 H 1 0.784 0.003 . 1 . . 63 . A 171 ILE HG22 . 34030 1 72 . 1 1 11 11 ILE HG23 H 1 0.784 0.003 . 1 . . 63 . A 171 ILE HG23 . 34030 1 73 . 1 1 11 11 ILE HD11 H 1 0.745 0.008 . 1 . . 68 . A 171 ILE HD11 . 34030 1 74 . 1 1 11 11 ILE HD12 H 1 0.745 0.008 . 1 . . 68 . A 171 ILE HD12 . 34030 1 75 . 1 1 11 11 ILE HD13 H 1 0.745 0.008 . 1 . . 68 . A 171 ILE HD13 . 34030 1 76 . 1 1 11 11 ILE CA C 13 61.132 0.044 . 1 . . 59 . A 171 ILE CA . 34030 1 77 . 1 1 11 11 ILE CB C 13 38.754 0.059 . 1 . . 61 . A 171 ILE CB . 34030 1 78 . 1 1 11 11 ILE CG1 C 13 27.347 0.042 . 1 . . 65 . A 171 ILE CG1 . 34030 1 79 . 1 1 11 11 ILE CG2 C 13 17.672 0.063 . 1 . . 64 . A 171 ILE CG2 . 34030 1 80 . 1 1 11 11 ILE CD1 C 13 13.046 0.051 . 1 . . 69 . A 171 ILE CD1 . 34030 1 81 . 1 1 11 11 ILE N N 15 120.722 0.045 . 1 . . 57 . A 171 ILE N . 34030 1 82 . 1 1 12 12 LEU H H 1 8.271 0.014 . 1 . . 71 . A 172 LEU H . 34030 1 83 . 1 1 12 12 LEU HA H 1 4.456 0.007 . 1 . . 73 . A 172 LEU HA . 34030 1 84 . 1 1 12 12 LEU HB2 H 1 1.542 0.020 . 2 . . 75 . A 172 LEU HB2 . 34030 1 85 . 1 1 12 12 LEU HB3 H 1 1.473 0.020 . 2 . . 76 . A 172 LEU HB3 . 34030 1 86 . 1 1 12 12 LEU HG H 1 1.564 0.020 . 1 . . 78 . A 172 LEU HG . 34030 1 87 . 1 1 12 12 LEU HD11 H 1 0.826 0.020 . 2 . . 79 . A 172 LEU HD11 . 34030 1 88 . 1 1 12 12 LEU HD12 H 1 0.826 0.020 . 2 . . 79 . A 172 LEU HD12 . 34030 1 89 . 1 1 12 12 LEU HD13 H 1 0.826 0.020 . 2 . . 79 . A 172 LEU HD13 . 34030 1 90 . 1 1 12 12 LEU HD21 H 1 0.795 0.010 . 2 . . 80 . A 172 LEU HD21 . 34030 1 91 . 1 1 12 12 LEU HD22 H 1 0.795 0.010 . 2 . . 80 . A 172 LEU HD22 . 34030 1 92 . 1 1 12 12 LEU HD23 H 1 0.795 0.010 . 2 . . 80 . A 172 LEU HD23 . 34030 1 93 . 1 1 12 12 LEU CA C 13 54.157 0.099 . 1 . . 72 . A 172 LEU CA . 34030 1 94 . 1 1 12 12 LEU CB C 13 41.541 0.073 . 1 . . 74 . A 172 LEU CB . 34030 1 95 . 1 1 12 12 LEU CG C 13 27.207 0.200 . 1 . . 77 . A 172 LEU CG . 34030 1 96 . 1 1 12 12 LEU CD1 C 13 25.141 0.004 . 2 . . 81 . A 172 LEU CD1 . 34030 1 97 . 1 1 12 12 LEU CD2 C 13 23.619 0.022 . 2 . . 82 . A 172 LEU CD2 . 34030 1 98 . 1 1 12 12 LEU N N 15 127.156 0.027 . 1 . . 70 . A 172 LEU N . 34030 1 99 . 1 1 13 13 PRO HA H 1 4.323 0.018 . 1 . . 85 . A 173 PRO HA . 34030 1 100 . 1 1 13 13 PRO HB2 H 1 1.810 0.003 . 2 . . 87 . A 173 PRO HB2 . 34030 1 101 . 1 1 13 13 PRO HB3 H 1 2.204 0.020 . 2 . . 88 . A 173 PRO HB3 . 34030 1 102 . 1 1 13 13 PRO HG2 H 1 1.942 0.003 . 2 . . 90 . A 173 PRO HG2 . 34030 1 103 . 1 1 13 13 PRO HG3 H 1 1.917 0.020 . 2 . . 91 . A 173 PRO HG3 . 34030 1 104 . 1 1 13 13 PRO HD2 H 1 3.740 0.019 . 2 . . 92 . A 173 PRO HD2 . 34030 1 105 . 1 1 13 13 PRO HD3 H 1 3.539 0.004 . 2 . . 93 . A 173 PRO HD3 . 34030 1 106 . 1 1 13 13 PRO CA C 13 63.750 0.092 . 1 . . 84 . A 173 PRO CA . 34030 1 107 . 1 1 13 13 PRO CB C 13 31.916 0.089 . 1 . . 86 . A 173 PRO CB . 34030 1 108 . 1 1 13 13 PRO CG C 13 27.660 0.047 . 1 . . 89 . A 173 PRO CG . 34030 1 109 . 1 1 13 13 PRO CD C 13 50.585 0.046 . 1 . . 83 . A 173 PRO CD . 34030 1 110 . 1 1 14 14 ILE H H 1 7.993 0.020 . 1 . . 95 . A 174 ILE H . 34030 1 111 . 1 1 14 14 ILE HA H 1 3.971 0.010 . 1 . . 97 . A 174 ILE HA . 34030 1 112 . 1 1 14 14 ILE HB H 1 1.800 0.009 . 1 . . 99 . A 174 ILE HB . 34030 1 113 . 1 1 14 14 ILE HG12 H 1 1.427 0.007 . 2 . . 103 . A 174 ILE HG12 . 34030 1 114 . 1 1 14 14 ILE HG13 H 1 1.128 0.015 . 2 . . 104 . A 174 ILE HG13 . 34030 1 115 . 1 1 14 14 ILE HG21 H 1 0.804 0.009 . 1 . . 100 . A 174 ILE HG21 . 34030 1 116 . 1 1 14 14 ILE HG22 H 1 0.804 0.009 . 1 . . 100 . A 174 ILE HG22 . 34030 1 117 . 1 1 14 14 ILE HG23 H 1 0.804 0.009 . 1 . . 100 . A 174 ILE HG23 . 34030 1 118 . 1 1 14 14 ILE HD11 H 1 0.787 0.020 . 1 . . 105 . A 174 ILE HD11 . 34030 1 119 . 1 1 14 14 ILE HD12 H 1 0.787 0.020 . 1 . . 105 . A 174 ILE HD12 . 34030 1 120 . 1 1 14 14 ILE HD13 H 1 0.787 0.020 . 1 . . 105 . A 174 ILE HD13 . 34030 1 121 . 1 1 14 14 ILE CA C 13 62.367 0.028 . 1 . . 96 . A 174 ILE CA . 34030 1 122 . 1 1 14 14 ILE CB C 13 38.427 0.065 . 1 . . 98 . A 174 ILE CB . 34030 1 123 . 1 1 14 14 ILE CG1 C 13 28.062 0.056 . 1 . . 102 . A 174 ILE CG1 . 34030 1 124 . 1 1 14 14 ILE CG2 C 13 17.673 0.015 . 1 . . 101 . A 174 ILE CG2 . 34030 1 125 . 1 1 14 14 ILE CD1 C 13 13.245 0.032 . 1 . . 106 . A 174 ILE CD1 . 34030 1 126 . 1 1 14 14 ILE N N 15 120.052 0.024 . 1 . . 94 . A 174 ILE N . 34030 1 127 . 1 1 15 15 MET H H 1 8.255 0.016 . 1 . . 108 . A 175 MET H . 34030 1 128 . 1 1 15 15 MET HA H 1 4.268 0.013 . 1 . . 110 . A 175 MET HA . 34030 1 129 . 1 1 15 15 MET HB2 H 1 1.978 0.015 . 1 . . 112 . A 175 MET HB2 . 34030 1 130 . 1 1 15 15 MET HB3 H 1 1.978 0.015 . 1 . . 1421 . A 175 MET HB3 . 34030 1 131 . 1 1 15 15 MET HG2 H 1 2.522 0.020 . 2 . . 114 . A 175 MET HG2 . 34030 1 132 . 1 1 15 15 MET HG3 H 1 2.430 0.020 . 2 . . 115 . A 175 MET HG3 . 34030 1 133 . 1 1 15 15 MET HE1 H 1 1.950 0.020 . 1 . . 116 . A 175 MET HE1 . 34030 1 134 . 1 1 15 15 MET HE2 H 1 1.950 0.020 . 1 . . 116 . A 175 MET HE2 . 34030 1 135 . 1 1 15 15 MET HE3 H 1 1.950 0.020 . 1 . . 116 . A 175 MET HE3 . 34030 1 136 . 1 1 15 15 MET CA C 13 56.331 0.200 . 1 . . 109 . A 175 MET CA . 34030 1 137 . 1 1 15 15 MET CB C 13 32.276 0.039 . 1 . . 111 . A 175 MET CB . 34030 1 138 . 1 1 15 15 MET CG C 13 32.322 0.042 . 1 . . 113 . A 175 MET CG . 34030 1 139 . 1 1 15 15 MET CE C 13 17.084 0.200 . 1 . . 117 . A 175 MET CE . 34030 1 140 . 1 1 15 15 MET N N 15 121.987 0.046 . 1 . . 107 . A 175 MET N . 34030 1 141 . 1 1 16 16 GLN H H 1 8.186 0.005 . 1 . . 119 . A 176 GLN H . 34030 1 142 . 1 1 16 16 GLN HA H 1 4.057 0.020 . 1 . . 121 . A 176 GLN HA . 34030 1 143 . 1 1 16 16 GLN HB2 H 1 1.961 0.020 . 1 . . 1422 . A 176 GLN HB2 . 34030 1 144 . 1 1 16 16 GLN HB3 H 1 1.961 0.020 . 1 . . 123 . A 176 GLN HB3 . 34030 1 145 . 1 1 16 16 GLN HG2 H 1 2.247 0.020 . 1 . . 1423 . A 176 GLN HG2 . 34030 1 146 . 1 1 16 16 GLN HG3 H 1 2.247 0.020 . 1 . . 124 . A 176 GLN HG3 . 34030 1 147 . 1 1 16 16 GLN HE21 H 1 7.382 0.002 . 1 . . 126 . A 176 GLN HE21 . 34030 1 148 . 1 1 16 16 GLN HE22 H 1 6.723 0.001 . 1 . . 127 . A 176 GLN HE22 . 34030 1 149 . 1 1 16 16 GLN CA C 13 57.951 0.064 . 1 . . 120 . A 176 GLN CA . 34030 1 150 . 1 1 16 16 GLN CB C 13 29.033 0.264 . 1 . . 122 . A 176 GLN CB . 34030 1 151 . 1 1 16 16 GLN N N 15 119.905 0.024 . 1 . . 118 . A 176 GLN N . 34030 1 152 . 1 1 16 16 GLN NE2 N 15 111.396 0.054 . 1 . . 125 . A 176 GLN NE2 . 34030 1 153 . 1 1 17 17 SER H H 1 8.038 0.028 . 1 . . 129 . A 177 SER H . 34030 1 154 . 1 1 17 17 SER HA H 1 4.226 0.020 . 1 . . 131 . A 177 SER HA . 34030 1 155 . 1 1 17 17 SER HB2 H 1 3.888 0.020 . 2 . . 133 . A 177 SER HB2 . 34030 1 156 . 1 1 17 17 SER HB3 H 1 3.826 0.020 . 2 . . 134 . A 177 SER HB3 . 34030 1 157 . 1 1 17 17 SER CA C 13 60.077 0.034 . 1 . . 130 . A 177 SER CA . 34030 1 158 . 1 1 17 17 SER CB C 13 63.510 0.037 . 1 . . 132 . A 177 SER CB . 34030 1 159 . 1 1 17 17 SER N N 15 115.568 0.129 . 1 . . 128 . A 177 SER N . 34030 1 160 . 1 1 18 18 ILE H H 1 8.009 0.005 . 1 . . 136 . A 178 ILE H . 34030 1 161 . 1 1 18 18 ILE HA H 1 3.882 0.009 . 1 . . 138 . A 178 ILE HA . 34030 1 162 . 1 1 18 18 ILE HB H 1 1.849 0.006 . 1 . . 140 . A 178 ILE HB . 34030 1 163 . 1 1 18 18 ILE HG12 H 1 1.548 0.007 . 2 . . 144 . A 178 ILE HG12 . 34030 1 164 . 1 1 18 18 ILE HG13 H 1 1.070 0.009 . 2 . . 145 . A 178 ILE HG13 . 34030 1 165 . 1 1 18 18 ILE HG21 H 1 0.790 0.001 . 1 . . 141 . A 178 ILE HG21 . 34030 1 166 . 1 1 18 18 ILE HG22 H 1 0.790 0.001 . 1 . . 141 . A 178 ILE HG22 . 34030 1 167 . 1 1 18 18 ILE HG23 H 1 0.790 0.001 . 1 . . 141 . A 178 ILE HG23 . 34030 1 168 . 1 1 18 18 ILE HD11 H 1 0.765 0.005 . 1 . . 146 . A 178 ILE HD11 . 34030 1 169 . 1 1 18 18 ILE HD12 H 1 0.765 0.005 . 1 . . 146 . A 178 ILE HD12 . 34030 1 170 . 1 1 18 18 ILE HD13 H 1 0.765 0.005 . 1 . . 146 . A 178 ILE HD13 . 34030 1 171 . 1 1 18 18 ILE CA C 13 64.066 0.043 . 1 . . 137 . A 178 ILE CA . 34030 1 172 . 1 1 18 18 ILE CB C 13 38.354 0.015 . 1 . . 139 . A 178 ILE CB . 34030 1 173 . 1 1 18 18 ILE CG1 C 13 28.529 0.058 . 1 . . 143 . A 178 ILE CG1 . 34030 1 174 . 1 1 18 18 ILE CG2 C 13 17.560 0.018 . 1 . . 142 . A 178 ILE CG2 . 34030 1 175 . 1 1 18 18 ILE CD1 C 13 13.577 0.035 . 1 . . 147 . A 178 ILE CD1 . 34030 1 176 . 1 1 18 18 ILE N N 15 122.082 0.056 . 1 . . 135 . A 178 ILE N . 34030 1 177 . 1 1 19 19 MET H H 1 8.189 0.016 . 1 . . 149 . A 179 MET H . 34030 1 178 . 1 1 19 19 MET HA H 1 4.147 0.004 . 1 . . 151 . A 179 MET HA . 34030 1 179 . 1 1 19 19 MET HB2 H 1 2.068 0.020 . 2 . . 153 . A 179 MET HB2 . 34030 1 180 . 1 1 19 19 MET HB3 H 1 2.422 0.020 . 2 . . 154 . A 179 MET HB3 . 34030 1 181 . 1 1 19 19 MET HG2 H 1 2.586 0.003 . 1 . . 1424 . A 179 MET HG2 . 34030 1 182 . 1 1 19 19 MET HG3 H 1 2.586 0.003 . 1 . . 156 . A 179 MET HG3 . 34030 1 183 . 1 1 19 19 MET HE1 H 1 1.901 0.020 . 1 . . 157 . A 179 MET HE1 . 34030 1 184 . 1 1 19 19 MET HE2 H 1 1.901 0.020 . 1 . . 157 . A 179 MET HE2 . 34030 1 185 . 1 1 19 19 MET HE3 H 1 1.901 0.020 . 1 . . 157 . A 179 MET HE3 . 34030 1 186 . 1 1 19 19 MET CA C 13 57.980 0.003 . 1 . . 150 . A 179 MET CA . 34030 1 187 . 1 1 19 19 MET CB C 13 32.395 0.081 . 1 . . 152 . A 179 MET CB . 34030 1 188 . 1 1 19 19 MET CG C 13 32.514 0.081 . 1 . . 155 . A 179 MET CG . 34030 1 189 . 1 1 19 19 MET CE C 13 17.162 0.200 . 1 . . 158 . A 179 MET CE . 34030 1 190 . 1 1 19 19 MET N N 15 119.322 0.041 . 1 . . 148 . A 179 MET N . 34030 1 191 . 1 1 20 20 GLN H H 1 8.043 0.005 . 1 . . 160 . A 180 GLN H . 34030 1 192 . 1 1 20 20 GLN HA H 1 3.896 0.007 . 1 . . 162 . A 180 GLN HA . 34030 1 193 . 1 1 20 20 GLN HB2 H 1 1.911 0.004 . 1 . . 1425 . A 180 GLN HB2 . 34030 1 194 . 1 1 20 20 GLN HB3 H 1 1.911 0.004 . 1 . . 164 . A 180 GLN HB3 . 34030 1 195 . 1 1 20 20 GLN HG2 H 1 2.146 0.003 . 2 . . 166 . A 180 GLN HG2 . 34030 1 196 . 1 1 20 20 GLN HG3 H 1 2.018 0.020 . 2 . . 167 . A 180 GLN HG3 . 34030 1 197 . 1 1 20 20 GLN HE21 H 1 7.251 0.005 . 1 . . 169 . A 180 GLN HE21 . 34030 1 198 . 1 1 20 20 GLN HE22 H 1 6.623 0.003 . 1 . . 170 . A 180 GLN HE22 . 34030 1 199 . 1 1 20 20 GLN CA C 13 58.485 0.200 . 1 . . 161 . A 180 GLN CA . 34030 1 200 . 1 1 20 20 GLN CB C 13 28.599 0.050 . 1 . . 163 . A 180 GLN CB . 34030 1 201 . 1 1 20 20 GLN CG C 13 34.195 0.045 . 1 . . 165 . A 180 GLN CG . 34030 1 202 . 1 1 20 20 GLN N N 15 117.129 0.058 . 1 . . 159 . A 180 GLN N . 34030 1 203 . 1 1 20 20 GLN NE2 N 15 111.254 0.029 . 1 . . 168 . A 180 GLN NE2 . 34030 1 204 . 1 1 21 21 ASN H H 1 7.783 0.002 . 1 . . 172 . A 181 ASN H . 34030 1 205 . 1 1 21 21 ASN HA H 1 4.499 0.005 . 1 . . 174 . A 181 ASN HA . 34030 1 206 . 1 1 21 21 ASN HB2 H 1 2.754 0.012 . 1 . . 1426 . A 181 ASN HB2 . 34030 1 207 . 1 1 21 21 ASN HB3 H 1 2.754 0.012 . 1 . . 176 . A 181 ASN HB3 . 34030 1 208 . 1 1 21 21 ASN HD21 H 1 6.848 0.002 . 1 . . 178 . A 181 ASN HD21 . 34030 1 209 . 1 1 21 21 ASN HD22 H 1 7.512 0.020 . 1 . . 179 . A 181 ASN HD22 . 34030 1 210 . 1 1 21 21 ASN CA C 13 55.393 0.232 . 1 . . 173 . A 181 ASN CA . 34030 1 211 . 1 1 21 21 ASN CB C 13 39.228 0.043 . 1 . . 175 . A 181 ASN CB . 34030 1 212 . 1 1 21 21 ASN N N 15 116.143 0.050 . 1 . . 171 . A 181 ASN N . 34030 1 213 . 1 1 21 21 ASN ND2 N 15 112.513 0.081 . 1 . . 177 . A 181 ASN ND2 . 34030 1 214 . 1 1 22 22 LEU H H 1 8.044 0.014 . 1 . . 181 . A 182 LEU H . 34030 1 215 . 1 1 22 22 LEU HA H 1 4.130 0.001 . 1 . . 183 . A 182 LEU HA . 34030 1 216 . 1 1 22 22 LEU HB2 H 1 1.690 0.019 . 2 . . 185 . A 182 LEU HB2 . 34030 1 217 . 1 1 22 22 LEU HB3 H 1 1.493 0.018 . 2 . . 186 . A 182 LEU HB3 . 34030 1 218 . 1 1 22 22 LEU HG H 1 1.678 0.020 . 1 . . 188 . A 182 LEU HG . 34030 1 219 . 1 1 22 22 LEU HD11 H 1 0.745 0.012 . 2 . . 189 . A 182 LEU HD11 . 34030 1 220 . 1 1 22 22 LEU HD12 H 1 0.745 0.012 . 2 . . 189 . A 182 LEU HD12 . 34030 1 221 . 1 1 22 22 LEU HD13 H 1 0.745 0.012 . 2 . . 189 . A 182 LEU HD13 . 34030 1 222 . 1 1 22 22 LEU HD21 H 1 0.875 0.020 . 2 . . 190 . A 182 LEU HD21 . 34030 1 223 . 1 1 22 22 LEU HD22 H 1 0.875 0.020 . 2 . . 190 . A 182 LEU HD22 . 34030 1 224 . 1 1 22 22 LEU HD23 H 1 0.875 0.020 . 2 . . 190 . A 182 LEU HD23 . 34030 1 225 . 1 1 22 22 LEU CA C 13 57.129 0.164 . 1 . . 182 . A 182 LEU CA . 34030 1 226 . 1 1 22 22 LEU CB C 13 42.712 0.080 . 1 . . 184 . A 182 LEU CB . 34030 1 227 . 1 1 22 22 LEU CG C 13 27.044 0.064 . 1 . . 187 . A 182 LEU CG . 34030 1 228 . 1 1 22 22 LEU CD1 C 13 25.559 0.200 . 2 . . 191 . A 182 LEU CD1 . 34030 1 229 . 1 1 22 22 LEU CD2 C 13 25.017 0.200 . 2 . . 192 . A 182 LEU CD2 . 34030 1 230 . 1 1 22 22 LEU N N 15 119.788 0.021 . 1 . . 180 . A 182 LEU N . 34030 1 231 . 1 1 23 23 LEU H H 1 7.563 0.009 . 1 . . 194 . A 183 LEU H . 34030 1 232 . 1 1 23 23 LEU HA H 1 4.467 0.001 . 1 . . 196 . A 183 LEU HA . 34030 1 233 . 1 1 23 23 LEU HB2 H 1 1.755 0.011 . 2 . . 198 . A 183 LEU HB2 . 34030 1 234 . 1 1 23 23 LEU HB3 H 1 1.716 0.020 . 2 . . 199 . A 183 LEU HB3 . 34030 1 235 . 1 1 23 23 LEU HG H 1 1.710 0.005 . 1 . . 201 . A 183 LEU HG . 34030 1 236 . 1 1 23 23 LEU HD11 H 1 0.726 0.004 . 2 . . 202 . A 183 LEU HD11 . 34030 1 237 . 1 1 23 23 LEU HD12 H 1 0.726 0.004 . 2 . . 202 . A 183 LEU HD12 . 34030 1 238 . 1 1 23 23 LEU HD13 H 1 0.726 0.004 . 2 . . 202 . A 183 LEU HD13 . 34030 1 239 . 1 1 23 23 LEU HD21 H 1 0.707 0.020 . 2 . . 203 . A 183 LEU HD21 . 34030 1 240 . 1 1 23 23 LEU HD22 H 1 0.707 0.020 . 2 . . 203 . A 183 LEU HD22 . 34030 1 241 . 1 1 23 23 LEU HD23 H 1 0.707 0.020 . 2 . . 203 . A 183 LEU HD23 . 34030 1 242 . 1 1 23 23 LEU CA C 13 53.934 0.066 . 1 . . 195 . A 183 LEU CA . 34030 1 243 . 1 1 23 23 LEU CB C 13 40.860 0.050 . 1 . . 197 . A 183 LEU CB . 34030 1 244 . 1 1 23 23 LEU CG C 13 27.348 0.007 . 1 . . 200 . A 183 LEU CG . 34030 1 245 . 1 1 23 23 LEU CD1 C 13 26.022 0.074 . 2 . . 204 . A 183 LEU CD1 . 34030 1 246 . 1 1 23 23 LEU CD2 C 13 24.048 0.094 . 2 . . 205 . A 183 LEU CD2 . 34030 1 247 . 1 1 23 23 LEU N N 15 114.427 0.077 . 1 . . 193 . A 183 LEU N . 34030 1 248 . 1 1 24 24 SER H H 1 7.466 0.011 . 1 . . 207 . A 184 SER H . 34030 1 249 . 1 1 24 24 SER HA H 1 4.488 0.006 . 1 . . 209 . A 184 SER HA . 34030 1 250 . 1 1 24 24 SER HB2 H 1 4.078 0.003 . 2 . . 211 . A 184 SER HB2 . 34030 1 251 . 1 1 24 24 SER HB3 H 1 4.015 0.020 . 2 . . 212 . A 184 SER HB3 . 34030 1 252 . 1 1 24 24 SER CA C 13 58.031 0.200 . 1 . . 208 . A 184 SER CA . 34030 1 253 . 1 1 24 24 SER CB C 13 65.054 0.043 . 1 . . 210 . A 184 SER CB . 34030 1 254 . 1 1 24 24 SER N N 15 113.448 0.014 . 1 . . 206 . A 184 SER N . 34030 1 255 . 1 1 25 25 LYS H H 1 8.953 0.038 . 1 . . 213 . A 185 LYS H . 34030 1 256 . 1 1 25 25 LYS HA H 1 4.067 0.020 . 1 . . 214 . A 185 LYS HA . 34030 1 257 . 1 1 25 25 LYS HB2 H 1 1.650 0.020 . 2 . . 216 . A 185 LYS HB2 . 34030 1 258 . 1 1 25 25 LYS HB3 H 1 1.700 0.024 . 2 . . 217 . A 185 LYS HB3 . 34030 1 259 . 1 1 25 25 LYS HG2 H 1 1.115 0.009 . 1 . . 1428 . A 185 LYS HG2 . 34030 1 260 . 1 1 25 25 LYS HG3 H 1 1.115 0.009 . 1 . . 219 . A 185 LYS HG3 . 34030 1 261 . 1 1 25 25 LYS HD2 H 1 1.469 0.008 . 1 . . 1427 . A 185 LYS HD2 . 34030 1 262 . 1 1 25 25 LYS HD3 H 1 1.469 0.008 . 1 . . 221 . A 185 LYS HD3 . 34030 1 263 . 1 1 25 25 LYS HE2 H 1 2.259 0.012 . 2 . . 223 . A 185 LYS HE2 . 34030 1 264 . 1 1 25 25 LYS HE3 H 1 2.570 0.003 . 2 . . 224 . A 185 LYS HE3 . 34030 1 265 . 1 1 25 25 LYS CB C 13 32.752 0.081 . 1 . . 215 . A 185 LYS CB . 34030 1 266 . 1 1 25 25 LYS CG C 13 25.433 0.094 . 1 . . 218 . A 185 LYS CG . 34030 1 267 . 1 1 25 25 LYS CD C 13 29.554 0.017 . 1 . . 220 . A 185 LYS CD . 34030 1 268 . 1 1 25 25 LYS CE C 13 42.167 0.051 . 1 . . 222 . A 185 LYS CE . 34030 1 269 . 1 1 26 26 ASP H H 1 8.188 0.021 . 1 . . 226 . A 186 ASP H . 34030 1 270 . 1 1 26 26 ASP HA H 1 4.265 0.020 . 1 . . 228 . A 186 ASP HA . 34030 1 271 . 1 1 26 26 ASP HB2 H 1 2.452 0.008 . 2 . . 230 . A 186 ASP HB2 . 34030 1 272 . 1 1 26 26 ASP HB3 H 1 2.583 0.003 . 2 . . 231 . A 186 ASP HB3 . 34030 1 273 . 1 1 26 26 ASP CA C 13 56.401 0.045 . 1 . . 227 . A 186 ASP CA . 34030 1 274 . 1 1 26 26 ASP CB C 13 40.847 0.039 . 1 . . 229 . A 186 ASP CB . 34030 1 275 . 1 1 26 26 ASP N N 15 114.099 0.089 . 1 . . 225 . A 186 ASP N . 34030 1 276 . 1 1 27 27 VAL H H 1 7.172 0.018 . 1 . . 233 . A 187 VAL H . 34030 1 277 . 1 1 27 27 VAL HA H 1 3.907 0.017 . 1 . . 235 . A 187 VAL HA . 34030 1 278 . 1 1 27 27 VAL HB H 1 2.004 0.001 . 1 . . 237 . A 187 VAL HB . 34030 1 279 . 1 1 27 27 VAL HG11 H 1 0.865 0.002 . 2 . . 238 . A 187 VAL HG11 . 34030 1 280 . 1 1 27 27 VAL HG12 H 1 0.865 0.002 . 2 . . 238 . A 187 VAL HG12 . 34030 1 281 . 1 1 27 27 VAL HG13 H 1 0.865 0.002 . 2 . . 238 . A 187 VAL HG13 . 34030 1 282 . 1 1 27 27 VAL HG21 H 1 0.831 0.005 . 2 . . 239 . A 187 VAL HG21 . 34030 1 283 . 1 1 27 27 VAL HG22 H 1 0.831 0.005 . 2 . . 239 . A 187 VAL HG22 . 34030 1 284 . 1 1 27 27 VAL HG23 H 1 0.831 0.005 . 2 . . 239 . A 187 VAL HG23 . 34030 1 285 . 1 1 27 27 VAL CA C 13 64.282 0.064 . 1 . . 234 . A 187 VAL CA . 34030 1 286 . 1 1 27 27 VAL CB C 13 33.338 0.029 . 1 . . 236 . A 187 VAL CB . 34030 1 287 . 1 1 27 27 VAL CG1 C 13 21.763 0.011 . 2 . . 240 . A 187 VAL CG1 . 34030 1 288 . 1 1 27 27 VAL CG2 C 13 21.896 0.028 . 2 . . 241 . A 187 VAL CG2 . 34030 1 289 . 1 1 27 27 VAL N N 15 116.275 0.080 . 1 . . 232 . A 187 VAL N . 34030 1 290 . 1 1 28 28 LEU H H 1 8.088 0.010 . 1 . . 243 . A 188 LEU H . 34030 1 291 . 1 1 28 28 LEU HA H 1 4.191 0.007 . 1 . . 245 . A 188 LEU HA . 34030 1 292 . 1 1 28 28 LEU HB2 H 1 1.823 0.006 . 2 . . 247 . A 188 LEU HB2 . 34030 1 293 . 1 1 28 28 LEU HB3 H 1 1.562 0.024 . 2 . . 248 . A 188 LEU HB3 . 34030 1 294 . 1 1 28 28 LEU HG H 1 1.588 0.020 . 1 . . 250 . A 188 LEU HG . 34030 1 295 . 1 1 28 28 LEU HD11 H 1 0.931 0.018 . 2 . . 251 . A 188 LEU HD11 . 34030 1 296 . 1 1 28 28 LEU HD12 H 1 0.931 0.018 . 2 . . 251 . A 188 LEU HD12 . 34030 1 297 . 1 1 28 28 LEU HD13 H 1 0.931 0.018 . 2 . . 251 . A 188 LEU HD13 . 34030 1 298 . 1 1 28 28 LEU HD21 H 1 0.966 0.020 . 2 . . 252 . A 188 LEU HD21 . 34030 1 299 . 1 1 28 28 LEU HD22 H 1 0.966 0.020 . 2 . . 252 . A 188 LEU HD22 . 34030 1 300 . 1 1 28 28 LEU HD23 H 1 0.966 0.020 . 2 . . 252 . A 188 LEU HD23 . 34030 1 301 . 1 1 28 28 LEU CA C 13 57.317 0.073 . 1 . . 244 . A 188 LEU CA . 34030 1 302 . 1 1 28 28 LEU CB C 13 43.865 0.039 . 1 . . 246 . A 188 LEU CB . 34030 1 303 . 1 1 28 28 LEU CG C 13 27.417 0.127 . 1 . . 249 . A 188 LEU CG . 34030 1 304 . 1 1 28 28 LEU CD1 C 13 24.248 0.047 . 2 . . 253 . A 188 LEU CD1 . 34030 1 305 . 1 1 28 28 LEU CD2 C 13 25.323 0.041 . 2 . . 254 . A 188 LEU CD2 . 34030 1 306 . 1 1 28 28 LEU N N 15 119.958 0.096 . 1 . . 242 . A 188 LEU N . 34030 1 307 . 1 1 29 29 TYR H H 1 7.821 0.020 . 1 . . 256 . A 189 TYR H . 34030 1 308 . 1 1 29 29 TYR HA H 1 4.034 0.020 . 1 . . 258 . A 189 TYR HA . 34030 1 309 . 1 1 29 29 TYR HB2 H 1 3.072 0.020 . 2 . . 260 . A 189 TYR HB2 . 34030 1 310 . 1 1 29 29 TYR HB3 H 1 2.125 0.020 . 2 . . 261 . A 189 TYR HB3 . 34030 1 311 . 1 1 29 29 TYR HD1 H 1 6.934 0.016 . 3 . . 262 . A 189 TYR HD1 . 34030 1 312 . 1 1 29 29 TYR HD2 H 1 6.934 0.016 . 3 . . 262 . A 189 TYR HD2 . 34030 1 313 . 1 1 29 29 TYR HE1 H 1 6.778 0.009 . 3 . . 263 . A 189 TYR HE1 . 34030 1 314 . 1 1 29 29 TYR HE2 H 1 6.778 0.009 . 3 . . 263 . A 189 TYR HE2 . 34030 1 315 . 1 1 29 29 TYR CA C 13 63.125 0.023 . 1 . . 257 . A 189 TYR CA . 34030 1 316 . 1 1 29 29 TYR CB C 13 36.271 0.041 . 1 . . 259 . A 189 TYR CB . 34030 1 317 . 1 1 29 29 TYR CD1 C 13 133.184 0.042 . 3 . . 265 . A 189 TYR CD1 . 34030 1 318 . 1 1 29 29 TYR CD2 C 13 133.184 0.042 . 3 . . 265 . A 189 TYR CD2 . 34030 1 319 . 1 1 29 29 TYR CE1 C 13 117.684 0.049 . 3 . . 264 . A 189 TYR CE1 . 34030 1 320 . 1 1 29 29 TYR CE2 C 13 117.684 0.049 . 3 . . 264 . A 189 TYR CE2 . 34030 1 321 . 1 1 29 29 TYR N N 15 115.279 0.089 . 1 . . 255 . A 189 TYR N . 34030 1 322 . 1 1 30 30 PRO HA H 1 3.772 0.004 . 1 . . 268 . A 190 PRO HA . 34030 1 323 . 1 1 30 30 PRO HB2 H 1 2.162 0.001 . 2 . . 270 . A 190 PRO HB2 . 34030 1 324 . 1 1 30 30 PRO HB3 H 1 1.745 0.007 . 2 . . 271 . A 190 PRO HB3 . 34030 1 325 . 1 1 30 30 PRO HG2 H 1 2.059 0.011 . 2 . . 273 . A 190 PRO HG2 . 34030 1 326 . 1 1 30 30 PRO HG3 H 1 1.887 0.003 . 2 . . 274 . A 190 PRO HG3 . 34030 1 327 . 1 1 30 30 PRO HD2 H 1 3.906 0.007 . 2 . . 275 . A 190 PRO HD2 . 34030 1 328 . 1 1 30 30 PRO HD3 H 1 3.289 0.008 . 2 . . 276 . A 190 PRO HD3 . 34030 1 329 . 1 1 30 30 PRO CA C 13 66.711 0.088 . 1 . . 267 . A 190 PRO CA . 34030 1 330 . 1 1 30 30 PRO CB C 13 30.616 0.048 . 1 . . 269 . A 190 PRO CB . 34030 1 331 . 1 1 30 30 PRO CG C 13 28.863 0.027 . 1 . . 272 . A 190 PRO CG . 34030 1 332 . 1 1 30 30 PRO CD C 13 49.433 0.063 . 1 . . 266 . A 190 PRO CD . 34030 1 333 . 1 1 31 31 SER H H 1 7.385 0.013 . 1 . . 278 . A 191 SER H . 34030 1 334 . 1 1 31 31 SER HA H 1 4.168 0.020 . 1 . . 280 . A 191 SER HA . 34030 1 335 . 1 1 31 31 SER HB2 H 1 3.756 0.016 . 1 . . 1429 . A 191 SER HB2 . 34030 1 336 . 1 1 31 31 SER HB3 H 1 3.756 0.016 . 1 . . 282 . A 191 SER HB3 . 34030 1 337 . 1 1 31 31 SER CA C 13 61.889 0.097 . 1 . . 279 . A 191 SER CA . 34030 1 338 . 1 1 31 31 SER CB C 13 63.255 0.230 . 1 . . 281 . A 191 SER CB . 34030 1 339 . 1 1 31 31 SER N N 15 111.866 0.077 . 1 . . 277 . A 191 SER N . 34030 1 340 . 1 1 32 32 LEU H H 1 7.854 0.024 . 1 . . 284 . A 192 LEU H . 34030 1 341 . 1 1 32 32 LEU HA H 1 3.954 0.015 . 1 . . 286 . A 192 LEU HA . 34030 1 342 . 1 1 32 32 LEU HB2 H 1 1.601 0.001 . 2 . . 288 . A 192 LEU HB2 . 34030 1 343 . 1 1 32 32 LEU HB3 H 1 1.402 0.027 . 2 . . 289 . A 192 LEU HB3 . 34030 1 344 . 1 1 32 32 LEU HG H 1 1.633 0.020 . 1 . . 291 . A 192 LEU HG . 34030 1 345 . 1 1 32 32 LEU HD11 H 1 0.837 0.006 . 2 . . 292 . A 192 LEU HD11 . 34030 1 346 . 1 1 32 32 LEU HD12 H 1 0.837 0.006 . 2 . . 292 . A 192 LEU HD12 . 34030 1 347 . 1 1 32 32 LEU HD13 H 1 0.837 0.006 . 2 . . 292 . A 192 LEU HD13 . 34030 1 348 . 1 1 32 32 LEU HD21 H 1 0.824 0.020 . 2 . . 293 . A 192 LEU HD21 . 34030 1 349 . 1 1 32 32 LEU HD22 H 1 0.824 0.020 . 2 . . 293 . A 192 LEU HD22 . 34030 1 350 . 1 1 32 32 LEU HD23 H 1 0.824 0.020 . 2 . . 293 . A 192 LEU HD23 . 34030 1 351 . 1 1 32 32 LEU CA C 13 57.733 0.134 . 1 . . 285 . A 192 LEU CA . 34030 1 352 . 1 1 32 32 LEU CB C 13 42.627 0.172 . 1 . . 287 . A 192 LEU CB . 34030 1 353 . 1 1 32 32 LEU CG C 13 26.969 0.200 . 1 . . 290 . A 192 LEU CG . 34030 1 354 . 1 1 32 32 LEU CD1 C 13 25.727 0.125 . 2 . . 294 . A 192 LEU CD1 . 34030 1 355 . 1 1 32 32 LEU CD2 C 13 25.113 0.200 . 2 . . 295 . A 192 LEU CD2 . 34030 1 356 . 1 1 32 32 LEU N N 15 121.612 0.059 . 1 . . 283 . A 192 LEU N . 34030 1 357 . 1 1 33 33 LYS H H 1 9.004 0.009 . 1 . . 297 . A 193 LYS H . 34030 1 358 . 1 1 33 33 LYS HA H 1 3.897 0.011 . 1 . . 299 . A 193 LYS HA . 34030 1 359 . 1 1 33 33 LYS HB2 H 1 1.457 0.009 . 2 . . 301 . A 193 LYS HB2 . 34030 1 360 . 1 1 33 33 LYS HB3 H 1 0.954 0.026 . 2 . . 302 . A 193 LYS HB3 . 34030 1 361 . 1 1 33 33 LYS HG2 H 1 1.152 0.020 . 2 . . 304 . A 193 LYS HG2 . 34030 1 362 . 1 1 33 33 LYS HG3 H 1 1.106 0.016 . 2 . . 305 . A 193 LYS HG3 . 34030 1 363 . 1 1 33 33 LYS HD2 H 1 1.718 0.003 . 2 . . 307 . A 193 LYS HD2 . 34030 1 364 . 1 1 33 33 LYS HD3 H 1 1.312 0.016 . 2 . . 308 . A 193 LYS HD3 . 34030 1 365 . 1 1 33 33 LYS HE2 H 1 2.867 0.006 . 2 . . 310 . A 193 LYS HE2 . 34030 1 366 . 1 1 33 33 LYS HE3 H 1 2.766 0.014 . 2 . . 311 . A 193 LYS HE3 . 34030 1 367 . 1 1 33 33 LYS CA C 13 58.382 0.185 . 1 . . 298 . A 193 LYS CA . 34030 1 368 . 1 1 33 33 LYS CB C 13 31.644 0.078 . 1 . . 300 . A 193 LYS CB . 34030 1 369 . 1 1 33 33 LYS CG C 13 23.978 0.081 . 1 . . 303 . A 193 LYS CG . 34030 1 370 . 1 1 33 33 LYS CD C 13 29.149 0.074 . 1 . . 306 . A 193 LYS CD . 34030 1 371 . 1 1 33 33 LYS CE C 13 42.429 0.200 . 1 . . 309 . A 193 LYS CE . 34030 1 372 . 1 1 33 33 LYS N N 15 122.446 0.068 . 1 . . 296 . A 193 LYS N . 34030 1 373 . 1 1 34 34 GLU H H 1 7.216 0.024 . 1 . . 313 . A 194 GLU H . 34030 1 374 . 1 1 34 34 GLU HA H 1 3.950 0.019 . 1 . . 315 . A 194 GLU HA . 34030 1 375 . 1 1 34 34 GLU HB2 H 1 2.019 0.011 . 2 . . 317 . A 194 GLU HB2 . 34030 1 376 . 1 1 34 34 GLU HB3 H 1 1.965 0.020 . 2 . . 318 . A 194 GLU HB3 . 34030 1 377 . 1 1 34 34 GLU HG2 H 1 2.128 0.007 . 2 . . 320 . A 194 GLU HG2 . 34030 1 378 . 1 1 34 34 GLU HG3 H 1 2.235 0.010 . 2 . . 321 . A 194 GLU HG3 . 34030 1 379 . 1 1 34 34 GLU CA C 13 59.428 0.069 . 1 . . 314 . A 194 GLU CA . 34030 1 380 . 1 1 34 34 GLU CB C 13 29.555 0.050 . 1 . . 316 . A 194 GLU CB . 34030 1 381 . 1 1 34 34 GLU CG C 13 36.038 0.035 . 1 . . 319 . A 194 GLU CG . 34030 1 382 . 1 1 34 34 GLU N N 15 117.266 0.035 . 1 . . 312 . A 194 GLU N . 34030 1 383 . 1 1 35 35 ILE H H 1 7.520 0.021 . 1 . . 323 . A 195 ILE H . 34030 1 384 . 1 1 35 35 ILE HA H 1 3.598 0.025 . 1 . . 325 . A 195 ILE HA . 34030 1 385 . 1 1 35 35 ILE HB H 1 1.810 0.022 . 1 . . 327 . A 195 ILE HB . 34030 1 386 . 1 1 35 35 ILE HG12 H 1 1.656 0.020 . 2 . . 331 . A 195 ILE HG12 . 34030 1 387 . 1 1 35 35 ILE HG13 H 1 0.876 0.014 . 2 . . 332 . A 195 ILE HG13 . 34030 1 388 . 1 1 35 35 ILE HG21 H 1 0.747 0.020 . 1 . . 328 . A 195 ILE HG21 . 34030 1 389 . 1 1 35 35 ILE HG22 H 1 0.747 0.020 . 1 . . 328 . A 195 ILE HG22 . 34030 1 390 . 1 1 35 35 ILE HG23 H 1 0.747 0.020 . 1 . . 328 . A 195 ILE HG23 . 34030 1 391 . 1 1 35 35 ILE HD11 H 1 0.603 0.002 . 1 . . 333 . A 195 ILE HD11 . 34030 1 392 . 1 1 35 35 ILE HD12 H 1 0.603 0.002 . 1 . . 333 . A 195 ILE HD12 . 34030 1 393 . 1 1 35 35 ILE HD13 H 1 0.603 0.002 . 1 . . 333 . A 195 ILE HD13 . 34030 1 394 . 1 1 35 35 ILE CA C 13 65.584 0.070 . 1 . . 324 . A 195 ILE CA . 34030 1 395 . 1 1 35 35 ILE CB C 13 38.052 0.053 . 1 . . 326 . A 195 ILE CB . 34030 1 396 . 1 1 35 35 ILE CG1 C 13 29.308 0.095 . 1 . . 330 . A 195 ILE CG1 . 34030 1 397 . 1 1 35 35 ILE CG2 C 13 18.247 0.122 . 1 . . 329 . A 195 ILE CG2 . 34030 1 398 . 1 1 35 35 ILE CD1 C 13 13.894 0.040 . 1 . . 334 . A 195 ILE CD1 . 34030 1 399 . 1 1 35 35 ILE N N 15 117.303 0.103 . 1 . . 322 . A 195 ILE N . 34030 1 400 . 1 1 36 36 THR H H 1 8.460 0.010 . 1 . . 336 . A 196 THR H . 34030 1 401 . 1 1 36 36 THR HA H 1 4.046 0.015 . 1 . . 338 . A 196 THR HA . 34030 1 402 . 1 1 36 36 THR HB H 1 4.308 0.019 . 1 . . 340 . A 196 THR HB . 34030 1 403 . 1 1 36 36 THR HG1 H 1 4.866 0.010 . 1 . . 342 . A 196 THR HG1 . 34030 1 404 . 1 1 36 36 THR HG21 H 1 1.311 0.009 . 1 . . 341 . A 196 THR HG21 . 34030 1 405 . 1 1 36 36 THR HG22 H 1 1.311 0.009 . 1 . . 341 . A 196 THR HG22 . 34030 1 406 . 1 1 36 36 THR HG23 H 1 1.311 0.009 . 1 . . 341 . A 196 THR HG23 . 34030 1 407 . 1 1 36 36 THR CA C 13 67.811 0.050 . 1 . . 337 . A 196 THR CA . 34030 1 408 . 1 1 36 36 THR CB C 13 69.050 0.074 . 1 . . 339 . A 196 THR CB . 34030 1 409 . 1 1 36 36 THR CG2 C 13 24.250 0.123 . 1 . . 343 . A 196 THR CG2 . 34030 1 410 . 1 1 36 36 THR N N 15 114.069 0.040 . 1 . . 335 . A 196 THR N . 34030 1 411 . 1 1 37 37 GLU H H 1 7.786 0.017 . 1 . . 345 . A 197 GLU H . 34030 1 412 . 1 1 37 37 GLU HA H 1 4.169 0.009 . 1 . . 347 . A 197 GLU HA . 34030 1 413 . 1 1 37 37 GLU HB2 H 1 2.119 0.016 . 2 . . 349 . A 197 GLU HB2 . 34030 1 414 . 1 1 37 37 GLU HB3 H 1 2.054 0.006 . 2 . . 350 . A 197 GLU HB3 . 34030 1 415 . 1 1 37 37 GLU HG2 H 1 2.431 0.019 . 2 . . 352 . A 197 GLU HG2 . 34030 1 416 . 1 1 37 37 GLU HG3 H 1 2.243 0.024 . 2 . . 353 . A 197 GLU HG3 . 34030 1 417 . 1 1 37 37 GLU CA C 13 58.576 0.190 . 1 . . 346 . A 197 GLU CA . 34030 1 418 . 1 1 37 37 GLU CB C 13 29.840 0.131 . 1 . . 348 . A 197 GLU CB . 34030 1 419 . 1 1 37 37 GLU CG C 13 36.885 0.121 . 1 . . 351 . A 197 GLU CG . 34030 1 420 . 1 1 37 37 GLU N N 15 118.476 0.088 . 1 . . 344 . A 197 GLU N . 34030 1 421 . 1 1 38 38 LYS H H 1 7.498 0.008 . 1 . . 355 . A 198 LYS H . 34030 1 422 . 1 1 38 38 LYS HA H 1 4.319 0.004 . 1 . . 357 . A 198 LYS HA . 34030 1 423 . 1 1 38 38 LYS HB2 H 1 1.825 0.018 . 2 . . 359 . A 198 LYS HB2 . 34030 1 424 . 1 1 38 38 LYS HB3 H 1 1.741 0.020 . 2 . . 360 . A 198 LYS HB3 . 34030 1 425 . 1 1 38 38 LYS HG2 H 1 1.673 0.048 . 2 . . 362 . A 198 LYS HG2 . 34030 1 426 . 1 1 38 38 LYS HG3 H 1 1.438 0.010 . 2 . . 363 . A 198 LYS HG3 . 34030 1 427 . 1 1 38 38 LYS HD2 H 1 1.590 0.010 . 2 . . 365 . A 198 LYS HD2 . 34030 1 428 . 1 1 38 38 LYS HD3 H 1 1.527 0.001 . 2 . . 366 . A 198 LYS HD3 . 34030 1 429 . 1 1 38 38 LYS HE2 H 1 2.849 0.029 . 1 . . 1430 . A 198 LYS HE2 . 34030 1 430 . 1 1 38 38 LYS HE3 H 1 2.849 0.029 . 1 . . 368 . A 198 LYS HE3 . 34030 1 431 . 1 1 38 38 LYS CA C 13 57.471 0.093 . 1 . . 356 . A 198 LYS CA . 34030 1 432 . 1 1 38 38 LYS CB C 13 34.787 0.102 . 1 . . 358 . A 198 LYS CB . 34030 1 433 . 1 1 38 38 LYS CG C 13 25.718 0.056 . 1 . . 361 . A 198 LYS CG . 34030 1 434 . 1 1 38 38 LYS CD C 13 29.548 0.060 . 1 . . 364 . A 198 LYS CD . 34030 1 435 . 1 1 38 38 LYS CE C 13 42.283 0.200 . 1 . . 367 . A 198 LYS CE . 34030 1 436 . 1 1 38 38 LYS N N 15 117.892 0.071 . 1 . . 354 . A 198 LYS N . 34030 1 437 . 1 1 39 39 TYR H H 1 7.910 0.002 . 1 . . 370 . A 199 TYR H . 34030 1 438 . 1 1 39 39 TYR HA H 1 4.278 0.012 . 1 . . 372 . A 199 TYR HA . 34030 1 439 . 1 1 39 39 TYR HB2 H 1 3.179 0.028 . 2 . . 374 . A 199 TYR HB2 . 34030 1 440 . 1 1 39 39 TYR HB3 H 1 2.536 0.007 . 2 . . 375 . A 199 TYR HB3 . 34030 1 441 . 1 1 39 39 TYR HD1 H 1 7.062 0.016 . 3 . . 376 . A 199 TYR HD1 . 34030 1 442 . 1 1 39 39 TYR HD2 H 1 7.062 0.016 . 3 . . 376 . A 199 TYR HD2 . 34030 1 443 . 1 1 39 39 TYR HE1 H 1 6.322 0.006 . 3 . . 377 . A 199 TYR HE1 . 34030 1 444 . 1 1 39 39 TYR HE2 H 1 6.322 0.006 . 3 . . 377 . A 199 TYR HE2 . 34030 1 445 . 1 1 39 39 TYR CA C 13 62.065 0.061 . 1 . . 371 . A 199 TYR CA . 34030 1 446 . 1 1 39 39 TYR CB C 13 37.816 0.060 . 1 . . 373 . A 199 TYR CB . 34030 1 447 . 1 1 39 39 TYR CD1 C 13 131.641 0.042 . 3 . . 379 . A 199 TYR CD1 . 34030 1 448 . 1 1 39 39 TYR CD2 C 13 131.641 0.042 . 3 . . 379 . A 199 TYR CD2 . 34030 1 449 . 1 1 39 39 TYR CE1 C 13 117.410 0.200 . 3 . . 378 . A 199 TYR CE1 . 34030 1 450 . 1 1 39 39 TYR CE2 C 13 117.410 0.200 . 3 . . 378 . A 199 TYR CE2 . 34030 1 451 . 1 1 39 39 TYR N N 15 122.367 0.056 . 1 . . 369 . A 199 TYR N . 34030 1 452 . 1 1 40 40 PRO HA H 1 4.008 0.006 . 1 . . 382 . A 200 PRO HA . 34030 1 453 . 1 1 40 40 PRO HB2 H 1 2.238 0.020 . 2 . . 384 . A 200 PRO HB2 . 34030 1 454 . 1 1 40 40 PRO HB3 H 1 1.864 0.006 . 2 . . 385 . A 200 PRO HB3 . 34030 1 455 . 1 1 40 40 PRO HG2 H 1 2.186 0.012 . 2 . . 387 . A 200 PRO HG2 . 34030 1 456 . 1 1 40 40 PRO HG3 H 1 1.425 0.010 . 2 . . 388 . A 200 PRO HG3 . 34030 1 457 . 1 1 40 40 PRO HD2 H 1 3.608 0.025 . 2 . . 389 . A 200 PRO HD2 . 34030 1 458 . 1 1 40 40 PRO HD3 H 1 3.465 0.010 . 2 . . 390 . A 200 PRO HD3 . 34030 1 459 . 1 1 40 40 PRO CA C 13 67.741 0.053 . 1 . . 381 . A 200 PRO CA . 34030 1 460 . 1 1 40 40 PRO CB C 13 31.197 0.116 . 1 . . 383 . A 200 PRO CB . 34030 1 461 . 1 1 40 40 PRO CG C 13 28.878 0.078 . 1 . . 386 . A 200 PRO CG . 34030 1 462 . 1 1 40 40 PRO CD C 13 50.617 0.090 . 1 . . 380 . A 200 PRO CD . 34030 1 463 . 1 1 41 41 GLU H H 1 8.303 0.017 . 1 . . 392 . A 201 GLU H . 34030 1 464 . 1 1 41 41 GLU HA H 1 4.053 0.011 . 1 . . 394 . A 201 GLU HA . 34030 1 465 . 1 1 41 41 GLU HB2 H 1 2.044 0.020 . 1 . . 396 . A 201 GLU HB2 . 34030 1 466 . 1 1 41 41 GLU HB3 H 1 2.044 0.020 . 1 . . 1431 . A 201 GLU HB3 . 34030 1 467 . 1 1 41 41 GLU HG2 H 1 2.284 0.020 . 2 . . 398 . A 201 GLU HG2 . 34030 1 468 . 1 1 41 41 GLU HG3 H 1 2.252 0.020 . 2 . . 399 . A 201 GLU HG3 . 34030 1 469 . 1 1 41 41 GLU CA C 13 59.346 0.143 . 1 . . 393 . A 201 GLU CA . 34030 1 470 . 1 1 41 41 GLU CB C 13 29.533 0.200 . 1 . . 395 . A 201 GLU CB . 34030 1 471 . 1 1 41 41 GLU CG C 13 36.587 0.007 . 1 . . 397 . A 201 GLU CG . 34030 1 472 . 1 1 41 41 GLU N N 15 117.751 0.042 . 1 . . 391 . A 201 GLU N . 34030 1 473 . 1 1 42 42 TRP H H 1 7.659 0.014 . 1 . . 401 . A 202 TRP H . 34030 1 474 . 1 1 42 42 TRP HA H 1 4.078 0.002 . 1 . . 403 . A 202 TRP HA . 34030 1 475 . 1 1 42 42 TRP HB2 H 1 3.455 0.027 . 2 . . 405 . A 202 TRP HB2 . 34030 1 476 . 1 1 42 42 TRP HB3 H 1 3.129 0.005 . 2 . . 406 . A 202 TRP HB3 . 34030 1 477 . 1 1 42 42 TRP HD1 H 1 7.045 0.020 . 1 . . 410 . A 202 TRP HD1 . 34030 1 478 . 1 1 42 42 TRP HE1 H 1 9.720 0.013 . 1 . . 414 . A 202 TRP HE1 . 34030 1 479 . 1 1 42 42 TRP HE3 H 1 7.023 0.007 . 1 . . 411 . A 202 TRP HE3 . 34030 1 480 . 1 1 42 42 TRP HZ2 H 1 6.866 0.004 . 1 . . 417 . A 202 TRP HZ2 . 34030 1 481 . 1 1 42 42 TRP HZ3 H 1 6.526 0.020 . 1 . . 415 . A 202 TRP HZ3 . 34030 1 482 . 1 1 42 42 TRP HH2 H 1 6.660 0.008 . 1 . . 418 . A 202 TRP HH2 . 34030 1 483 . 1 1 42 42 TRP CA C 13 63.046 0.033 . 1 . . 402 . A 202 TRP CA . 34030 1 484 . 1 1 42 42 TRP CB C 13 30.262 0.049 . 1 . . 404 . A 202 TRP CB . 34030 1 485 . 1 1 42 42 TRP CD1 C 13 126.713 0.077 . 1 . . 407 . A 202 TRP CD1 . 34030 1 486 . 1 1 42 42 TRP CE3 C 13 119.171 0.019 . 1 . . 408 . A 202 TRP CE3 . 34030 1 487 . 1 1 42 42 TRP CZ2 C 13 114.550 0.082 . 1 . . 413 . A 202 TRP CZ2 . 34030 1 488 . 1 1 42 42 TRP CZ3 C 13 120.955 0.200 . 1 . . 412 . A 202 TRP CZ3 . 34030 1 489 . 1 1 42 42 TRP CH2 C 13 124.463 0.014 . 1 . . 416 . A 202 TRP CH2 . 34030 1 490 . 1 1 42 42 TRP N N 15 122.381 0.016 . 1 . . 400 . A 202 TRP N . 34030 1 491 . 1 1 42 42 TRP NE1 N 15 129.887 0.054 . 1 . . 409 . A 202 TRP NE1 . 34030 1 492 . 1 1 43 43 LEU H H 1 9.464 0.012 . 1 . . 420 . A 203 LEU H . 34030 1 493 . 1 1 43 43 LEU HA H 1 3.991 0.016 . 1 . . 422 . A 203 LEU HA . 34030 1 494 . 1 1 43 43 LEU HB2 H 1 2.053 0.009 . 2 . . 424 . A 203 LEU HB2 . 34030 1 495 . 1 1 43 43 LEU HB3 H 1 1.633 0.004 . 2 . . 425 . A 203 LEU HB3 . 34030 1 496 . 1 1 43 43 LEU HG H 1 1.963 0.020 . 1 . . 427 . A 203 LEU HG . 34030 1 497 . 1 1 43 43 LEU HD11 H 1 0.499 0.018 . 2 . . 428 . A 203 LEU HD11 . 34030 1 498 . 1 1 43 43 LEU HD12 H 1 0.499 0.018 . 2 . . 428 . A 203 LEU HD12 . 34030 1 499 . 1 1 43 43 LEU HD13 H 1 0.499 0.018 . 2 . . 428 . A 203 LEU HD13 . 34030 1 500 . 1 1 43 43 LEU HD21 H 1 0.736 0.006 . 2 . . 429 . A 203 LEU HD21 . 34030 1 501 . 1 1 43 43 LEU HD22 H 1 0.736 0.006 . 2 . . 429 . A 203 LEU HD22 . 34030 1 502 . 1 1 43 43 LEU HD23 H 1 0.736 0.006 . 2 . . 429 . A 203 LEU HD23 . 34030 1 503 . 1 1 43 43 LEU CA C 13 59.105 0.026 . 1 . . 421 . A 203 LEU CA . 34030 1 504 . 1 1 43 43 LEU CB C 13 41.430 0.048 . 1 . . 423 . A 203 LEU CB . 34030 1 505 . 1 1 43 43 LEU CG C 13 27.714 0.105 . 1 . . 426 . A 203 LEU CG . 34030 1 506 . 1 1 43 43 LEU CD1 C 13 25.583 0.037 . 2 . . 430 . A 203 LEU CD1 . 34030 1 507 . 1 1 43 43 LEU CD2 C 13 23.534 0.035 . 2 . . 431 . A 203 LEU CD2 . 34030 1 508 . 1 1 43 43 LEU N N 15 121.534 0.020 . 1 . . 419 . A 203 LEU N . 34030 1 509 . 1 1 44 44 GLN H H 1 8.061 0.011 . 1 . . 433 . A 204 GLN H . 34030 1 510 . 1 1 44 44 GLN HA H 1 4.032 0.019 . 1 . . 435 . A 204 GLN HA . 34030 1 511 . 1 1 44 44 GLN HB2 H 1 2.157 0.003 . 2 . . 437 . A 204 GLN HB2 . 34030 1 512 . 1 1 44 44 GLN HB3 H 1 2.127 0.023 . 2 . . 438 . A 204 GLN HB3 . 34030 1 513 . 1 1 44 44 GLN HG2 H 1 2.409 0.009 . 1 . . 1432 . A 204 GLN HG2 . 34030 1 514 . 1 1 44 44 GLN HG3 H 1 2.409 0.009 . 1 . . 440 . A 204 GLN HG3 . 34030 1 515 . 1 1 44 44 GLN HE21 H 1 7.445 0.020 . 1 . . 442 . A 204 GLN HE21 . 34030 1 516 . 1 1 44 44 GLN HE22 H 1 6.793 0.020 . 1 . . 443 . A 204 GLN HE22 . 34030 1 517 . 1 1 44 44 GLN CA C 13 59.156 0.047 . 1 . . 434 . A 204 GLN CA . 34030 1 518 . 1 1 44 44 GLN CB C 13 28.347 0.121 . 1 . . 436 . A 204 GLN CB . 34030 1 519 . 1 1 44 44 GLN CG C 13 33.565 0.033 . 1 . . 439 . A 204 GLN CG . 34030 1 520 . 1 1 44 44 GLN N N 15 117.007 0.015 . 1 . . 432 . A 204 GLN N . 34030 1 521 . 1 1 44 44 GLN NE2 N 15 111.775 0.140 . 1 . . 441 . A 204 GLN NE2 . 34030 1 522 . 1 1 45 45 SER H H 1 7.880 0.006 . 1 . . 445 . A 205 SER H . 34030 1 523 . 1 1 45 45 SER HA H 1 4.171 0.020 . 1 . . 447 . A 205 SER HA . 34030 1 524 . 1 1 45 45 SER HB2 H 1 3.704 0.020 . 1 . . 1433 . A 205 SER HB2 . 34030 1 525 . 1 1 45 45 SER HB3 H 1 3.704 0.020 . 1 . . 449 . A 205 SER HB3 . 34030 1 526 . 1 1 45 45 SER CA C 13 59.960 0.023 . 1 . . 446 . A 205 SER CA . 34030 1 527 . 1 1 45 45 SER CB C 13 63.629 0.041 . 1 . . 448 . A 205 SER CB . 34030 1 528 . 1 1 45 45 SER N N 15 111.628 0.072 . 1 . . 444 . A 205 SER N . 34030 1 529 . 1 1 46 46 HIS H H 1 7.512 0.006 . 1 . . 451 . A 206 HIS H . 34030 1 530 . 1 1 46 46 HIS HA H 1 4.326 0.001 . 1 . . 453 . A 206 HIS HA . 34030 1 531 . 1 1 46 46 HIS HB2 H 1 2.822 0.001 . 2 . . 455 . A 206 HIS HB2 . 34030 1 532 . 1 1 46 46 HIS HB3 H 1 1.695 0.020 . 2 . . 456 . A 206 HIS HB3 . 34030 1 533 . 1 1 46 46 HIS HD2 H 1 6.768 0.012 . 1 . . 459 . A 206 HIS HD2 . 34030 1 534 . 1 1 46 46 HIS HE1 H 1 7.850 0.007 . 1 . . 460 . A 206 HIS HE1 . 34030 1 535 . 1 1 46 46 HIS CA C 13 57.311 0.071 . 1 . . 452 . A 206 HIS CA . 34030 1 536 . 1 1 46 46 HIS CB C 13 27.855 0.089 . 1 . . 454 . A 206 HIS CB . 34030 1 537 . 1 1 46 46 HIS CD2 C 13 118.933 0.213 . 1 . . 457 . A 206 HIS CD2 . 34030 1 538 . 1 1 46 46 HIS CE1 C 13 135.293 0.038 . 1 . . 458 . A 206 HIS CE1 . 34030 1 539 . 1 1 46 46 HIS N N 15 116.078 0.095 . 1 . . 450 . A 206 HIS N . 34030 1 540 . 1 1 47 47 ARG H H 1 7.325 0.019 . 1 . . 462 . A 207 ARG H . 34030 1 541 . 1 1 47 47 ARG HA H 1 3.443 0.011 . 1 . . 464 . A 207 ARG HA . 34030 1 542 . 1 1 47 47 ARG HB2 H 1 1.710 0.004 . 2 . . 466 . A 207 ARG HB2 . 34030 1 543 . 1 1 47 47 ARG HB3 H 1 1.551 0.007 . 2 . . 467 . A 207 ARG HB3 . 34030 1 544 . 1 1 47 47 ARG HG2 H 1 0.479 0.008 . 2 . . 469 . A 207 ARG HG2 . 34030 1 545 . 1 1 47 47 ARG HG3 H 1 1.107 0.011 . 2 . . 470 . A 207 ARG HG3 . 34030 1 546 . 1 1 47 47 ARG HD2 H 1 2.840 0.007 . 2 . . 472 . A 207 ARG HD2 . 34030 1 547 . 1 1 47 47 ARG HD3 H 1 2.786 0.020 . 2 . . 473 . A 207 ARG HD3 . 34030 1 548 . 1 1 47 47 ARG HE H 1 6.980 0.015 . 1 . . 475 . A 207 ARG HE . 34030 1 549 . 1 1 47 47 ARG CA C 13 60.362 0.044 . 1 . . 463 . A 207 ARG CA . 34030 1 550 . 1 1 47 47 ARG CB C 13 30.295 0.083 . 1 . . 465 . A 207 ARG CB . 34030 1 551 . 1 1 47 47 ARG CG C 13 26.252 0.063 . 1 . . 468 . A 207 ARG CG . 34030 1 552 . 1 1 47 47 ARG CD C 13 43.460 0.135 . 1 . . 471 . A 207 ARG CD . 34030 1 553 . 1 1 47 47 ARG N N 15 122.264 0.054 . 1 . . 461 . A 207 ARG N . 34030 1 554 . 1 1 47 47 ARG NE N 15 84.545 0.041 . 1 . . 474 . A 207 ARG NE . 34030 1 555 . 1 1 48 48 GLU H H 1 8.332 0.011 . 1 . . 477 . A 208 GLU H . 34030 1 556 . 1 1 48 48 GLU HA H 1 4.046 0.029 . 1 . . 479 . A 208 GLU HA . 34030 1 557 . 1 1 48 48 GLU HB2 H 1 1.967 0.020 . 2 . . 481 . A 208 GLU HB2 . 34030 1 558 . 1 1 48 48 GLU HB3 H 1 1.773 0.001 . 2 . . 482 . A 208 GLU HB3 . 34030 1 559 . 1 1 48 48 GLU HG2 H 1 2.097 0.009 . 1 . . 1434 . A 208 GLU HG2 . 34030 1 560 . 1 1 48 48 GLU HG3 H 1 2.097 0.009 . 1 . . 484 . A 208 GLU HG3 . 34030 1 561 . 1 1 48 48 GLU CA C 13 57.929 0.099 . 1 . . 478 . A 208 GLU CA . 34030 1 562 . 1 1 48 48 GLU CB C 13 29.356 0.045 . 1 . . 480 . A 208 GLU CB . 34030 1 563 . 1 1 48 48 GLU CG C 13 36.728 0.020 . 1 . . 483 . A 208 GLU CG . 34030 1 564 . 1 1 48 48 GLU N N 15 113.976 0.068 . 1 . . 476 . A 208 GLU N . 34030 1 565 . 1 1 49 49 SER H H 1 7.519 0.009 . 1 . . 486 . A 209 SER H . 34030 1 566 . 1 1 49 49 SER HA H 1 4.477 0.030 . 1 . . 488 . A 209 SER HA . 34030 1 567 . 1 1 49 49 SER HB2 H 1 3.882 0.020 . 2 . . 490 . A 209 SER HB2 . 34030 1 568 . 1 1 49 49 SER HB3 H 1 3.734 0.001 . 2 . . 491 . A 209 SER HB3 . 34030 1 569 . 1 1 49 49 SER CA C 13 58.241 0.105 . 1 . . 487 . A 209 SER CA . 34030 1 570 . 1 1 49 49 SER CB C 13 64.262 0.040 . 1 . . 489 . A 209 SER CB . 34030 1 571 . 1 1 49 49 SER N N 15 111.718 0.023 . 1 . . 485 . A 209 SER N . 34030 1 572 . 1 1 50 50 LEU H H 1 7.211 0.020 . 1 . . 493 . A 210 LEU H . 34030 1 573 . 1 1 50 50 LEU HA H 1 4.906 0.006 . 1 . . 495 . A 210 LEU HA . 34030 1 574 . 1 1 50 50 LEU HB2 H 1 1.832 0.005 . 2 . . 497 . A 210 LEU HB2 . 34030 1 575 . 1 1 50 50 LEU HB3 H 1 1.437 0.018 . 2 . . 498 . A 210 LEU HB3 . 34030 1 576 . 1 1 50 50 LEU HG H 1 1.992 0.007 . 1 . . 500 . A 210 LEU HG . 34030 1 577 . 1 1 50 50 LEU HD11 H 1 1.210 0.002 . 2 . . 501 . A 210 LEU HD11 . 34030 1 578 . 1 1 50 50 LEU HD12 H 1 1.210 0.002 . 2 . . 501 . A 210 LEU HD12 . 34030 1 579 . 1 1 50 50 LEU HD13 H 1 1.210 0.002 . 2 . . 501 . A 210 LEU HD13 . 34030 1 580 . 1 1 50 50 LEU HD21 H 1 1.224 0.010 . 2 . . 502 . A 210 LEU HD21 . 34030 1 581 . 1 1 50 50 LEU HD22 H 1 1.224 0.010 . 2 . . 502 . A 210 LEU HD22 . 34030 1 582 . 1 1 50 50 LEU HD23 H 1 1.224 0.010 . 2 . . 502 . A 210 LEU HD23 . 34030 1 583 . 1 1 50 50 LEU CA C 13 52.326 0.032 . 1 . . 494 . A 210 LEU CA . 34030 1 584 . 1 1 50 50 LEU CB C 13 44.732 0.071 . 1 . . 496 . A 210 LEU CB . 34030 1 585 . 1 1 50 50 LEU CG C 13 26.659 0.044 . 1 . . 499 . A 210 LEU CG . 34030 1 586 . 1 1 50 50 LEU CD1 C 13 27.667 0.043 . 2 . . 503 . A 210 LEU CD1 . 34030 1 587 . 1 1 50 50 LEU CD2 C 13 24.180 0.048 . 2 . . 504 . A 210 LEU CD2 . 34030 1 588 . 1 1 50 50 LEU N N 15 122.660 0.041 . 1 . . 492 . A 210 LEU N . 34030 1 589 . 1 1 51 51 PRO HA H 1 4.791 0.020 . 1 . . 507 . A 211 PRO HA . 34030 1 590 . 1 1 51 51 PRO HB2 H 1 2.542 0.006 . 2 . . 509 . A 211 PRO HB2 . 34030 1 591 . 1 1 51 51 PRO HB3 H 1 1.873 0.017 . 2 . . 510 . A 211 PRO HB3 . 34030 1 592 . 1 1 51 51 PRO HG2 H 1 2.128 0.008 . 1 . . 512 . A 211 PRO HG2 . 34030 1 593 . 1 1 51 51 PRO HG3 H 1 2.128 0.008 . 1 . . 1435 . A 211 PRO HG3 . 34030 1 594 . 1 1 51 51 PRO HD2 H 1 4.051 0.010 . 2 . . 513 . A 211 PRO HD2 . 34030 1 595 . 1 1 51 51 PRO HD3 H 1 3.601 0.003 . 2 . . 514 . A 211 PRO HD3 . 34030 1 596 . 1 1 51 51 PRO CA C 13 61.553 0.049 . 1 . . 506 . A 211 PRO CA . 34030 1 597 . 1 1 51 51 PRO CB C 13 31.620 0.089 . 1 . . 508 . A 211 PRO CB . 34030 1 598 . 1 1 51 51 PRO CG C 13 28.376 0.043 . 1 . . 511 . A 211 PRO CG . 34030 1 599 . 1 1 51 51 PRO CD C 13 50.876 0.079 . 1 . . 505 . A 211 PRO CD . 34030 1 600 . 1 1 52 52 PRO HA H 1 4.249 0.013 . 1 . . 517 . A 212 PRO HA . 34030 1 601 . 1 1 52 52 PRO HB2 H 1 2.380 0.003 . 2 . . 519 . A 212 PRO HB2 . 34030 1 602 . 1 1 52 52 PRO HB3 H 1 2.001 0.014 . 2 . . 520 . A 212 PRO HB3 . 34030 1 603 . 1 1 52 52 PRO HG2 H 1 2.162 0.002 . 2 . . 522 . A 212 PRO HG2 . 34030 1 604 . 1 1 52 52 PRO HG3 H 1 2.026 0.020 . 2 . . 523 . A 212 PRO HG3 . 34030 1 605 . 1 1 52 52 PRO HD2 H 1 3.856 0.008 . 1 . . 1436 . A 212 PRO HD2 . 34030 1 606 . 1 1 52 52 PRO HD3 H 1 3.856 0.008 . 1 . . 524 . A 212 PRO HD3 . 34030 1 607 . 1 1 52 52 PRO CA C 13 66.023 0.031 . 1 . . 516 . A 212 PRO CA . 34030 1 608 . 1 1 52 52 PRO CB C 13 32.061 0.078 . 1 . . 518 . A 212 PRO CB . 34030 1 609 . 1 1 52 52 PRO CG C 13 27.846 0.129 . 1 . . 521 . A 212 PRO CG . 34030 1 610 . 1 1 52 52 PRO CD C 13 50.862 0.132 . 1 . . 515 . A 212 PRO CD . 34030 1 611 . 1 1 53 53 GLU H H 1 9.561 0.009 . 1 . . 526 . A 213 GLU H . 34030 1 612 . 1 1 53 53 GLU HA H 1 4.121 0.020 . 1 . . 528 . A 213 GLU HA . 34030 1 613 . 1 1 53 53 GLU HB2 H 1 1.974 0.020 . 1 . . 530 . A 213 GLU HB2 . 34030 1 614 . 1 1 53 53 GLU HB3 H 1 1.974 0.020 . 1 . . 1437 . A 213 GLU HB3 . 34030 1 615 . 1 1 53 53 GLU HG2 H 1 2.310 0.020 . 2 . . 532 . A 213 GLU HG2 . 34030 1 616 . 1 1 53 53 GLU HG3 H 1 2.235 0.020 . 2 . . 533 . A 213 GLU HG3 . 34030 1 617 . 1 1 53 53 GLU CA C 13 59.556 0.041 . 1 . . 527 . A 213 GLU CA . 34030 1 618 . 1 1 53 53 GLU CB C 13 28.346 0.063 . 1 . . 529 . A 213 GLU CB . 34030 1 619 . 1 1 53 53 GLU CG C 13 36.251 0.044 . 1 . . 531 . A 213 GLU CG . 34030 1 620 . 1 1 53 53 GLU N N 15 116.297 0.045 . 1 . . 525 . A 213 GLU N . 34030 1 621 . 1 1 54 54 GLN H H 1 7.265 0.009 . 1 . . 535 . A 214 GLN H . 34030 1 622 . 1 1 54 54 GLN HA H 1 3.972 0.020 . 1 . . 537 . A 214 GLN HA . 34030 1 623 . 1 1 54 54 GLN HB2 H 1 2.087 0.013 . 1 . . 1438 . A 214 GLN HB2 . 34030 1 624 . 1 1 54 54 GLN HB3 H 1 2.087 0.013 . 1 . . 539 . A 214 GLN HB3 . 34030 1 625 . 1 1 54 54 GLN HG2 H 1 2.319 0.020 . 2 . . 541 . A 214 GLN HG2 . 34030 1 626 . 1 1 54 54 GLN HG3 H 1 2.191 0.020 . 2 . . 542 . A 214 GLN HG3 . 34030 1 627 . 1 1 54 54 GLN HE21 H 1 6.552 0.010 . 1 . . 544 . A 214 GLN HE21 . 34030 1 628 . 1 1 54 54 GLN HE22 H 1 6.959 0.001 . 1 . . 545 . A 214 GLN HE22 . 34030 1 629 . 1 1 54 54 GLN CA C 13 57.669 0.058 . 1 . . 536 . A 214 GLN CA . 34030 1 630 . 1 1 54 54 GLN CB C 13 29.494 0.059 . 1 . . 538 . A 214 GLN CB . 34030 1 631 . 1 1 54 54 GLN CG C 13 34.111 0.079 . 1 . . 540 . A 214 GLN CG . 34030 1 632 . 1 1 54 54 GLN N N 15 119.021 0.037 . 1 . . 534 . A 214 GLN N . 34030 1 633 . 1 1 54 54 GLN NE2 N 15 112.208 0.034 . 1 . . 543 . A 214 GLN NE2 . 34030 1 634 . 1 1 55 55 PHE H H 1 8.183 0.013 . 1 . . 547 . A 215 PHE H . 34030 1 635 . 1 1 55 55 PHE HA H 1 4.040 0.020 . 1 . . 549 . A 215 PHE HA . 34030 1 636 . 1 1 55 55 PHE HB2 H 1 3.206 0.018 . 2 . . 551 . A 215 PHE HB2 . 34030 1 637 . 1 1 55 55 PHE HB3 H 1 3.168 0.005 . 2 . . 552 . A 215 PHE HB3 . 34030 1 638 . 1 1 55 55 PHE HD1 H 1 7.130 0.020 . 3 . . 553 . A 215 PHE HD1 . 34030 1 639 . 1 1 55 55 PHE HD2 H 1 7.130 0.020 . 3 . . 553 . A 215 PHE HD2 . 34030 1 640 . 1 1 55 55 PHE HE1 H 1 7.331 0.014 . 3 . . 554 . A 215 PHE HE1 . 34030 1 641 . 1 1 55 55 PHE HE2 H 1 7.331 0.014 . 3 . . 554 . A 215 PHE HE2 . 34030 1 642 . 1 1 55 55 PHE HZ H 1 7.200 0.020 . 1 . . 557 . A 215 PHE HZ . 34030 1 643 . 1 1 55 55 PHE CA C 13 63.201 0.030 . 1 . . 548 . A 215 PHE CA . 34030 1 644 . 1 1 55 55 PHE CB C 13 39.843 0.058 . 1 . . 550 . A 215 PHE CB . 34030 1 645 . 1 1 55 55 PHE CD1 C 13 131.659 0.134 . 3 . . 555 . A 215 PHE CD1 . 34030 1 646 . 1 1 55 55 PHE CD2 C 13 131.659 0.134 . 3 . . 555 . A 215 PHE CD2 . 34030 1 647 . 1 1 55 55 PHE CE1 C 13 131.547 0.200 . 3 . . 558 . A 215 PHE CE1 . 34030 1 648 . 1 1 55 55 PHE CE2 C 13 131.547 0.200 . 3 . . 558 . A 215 PHE CE2 . 34030 1 649 . 1 1 55 55 PHE CZ C 13 129.777 0.200 . 1 . . 556 . A 215 PHE CZ . 34030 1 650 . 1 1 55 55 PHE N N 15 120.234 0.089 . 1 . . 546 . A 215 PHE N . 34030 1 651 . 1 1 56 56 GLU H H 1 8.385 0.016 . 1 . . 560 . A 216 GLU H . 34030 1 652 . 1 1 56 56 GLU HA H 1 3.931 0.020 . 1 . . 562 . A 216 GLU HA . 34030 1 653 . 1 1 56 56 GLU HB2 H 1 2.011 0.008 . 1 . . 564 . A 216 GLU HB2 . 34030 1 654 . 1 1 56 56 GLU HB3 H 1 2.011 0.008 . 1 . . 1439 . A 216 GLU HB3 . 34030 1 655 . 1 1 56 56 GLU HG2 H 1 2.441 0.008 . 2 . . 566 . A 216 GLU HG2 . 34030 1 656 . 1 1 56 56 GLU HG3 H 1 2.320 0.003 . 2 . . 567 . A 216 GLU HG3 . 34030 1 657 . 1 1 56 56 GLU CA C 13 59.372 0.012 . 1 . . 561 . A 216 GLU CA . 34030 1 658 . 1 1 56 56 GLU CB C 13 29.522 0.077 . 1 . . 563 . A 216 GLU CB . 34030 1 659 . 1 1 56 56 GLU CG C 13 36.444 0.096 . 1 . . 565 . A 216 GLU CG . 34030 1 660 . 1 1 56 56 GLU N N 15 115.654 0.090 . 1 . . 559 . A 216 GLU N . 34030 1 661 . 1 1 57 57 LYS H H 1 7.039 0.008 . 1 . . 569 . A 217 LYS H . 34030 1 662 . 1 1 57 57 LYS HA H 1 4.030 0.020 . 1 . . 571 . A 217 LYS HA . 34030 1 663 . 1 1 57 57 LYS HB2 H 1 1.710 0.020 . 2 . . 573 . A 217 LYS HB2 . 34030 1 664 . 1 1 57 57 LYS HB3 H 1 1.650 0.013 . 2 . . 574 . A 217 LYS HB3 . 34030 1 665 . 1 1 57 57 LYS HG2 H 1 1.250 0.003 . 2 . . 576 . A 217 LYS HG2 . 34030 1 666 . 1 1 57 57 LYS HG3 H 1 1.528 0.003 . 2 . . 577 . A 217 LYS HG3 . 34030 1 667 . 1 1 57 57 LYS HD2 H 1 1.569 0.006 . 1 . . 1440 . A 217 LYS HD2 . 34030 1 668 . 1 1 57 57 LYS HD3 H 1 1.569 0.006 . 1 . . 579 . A 217 LYS HD3 . 34030 1 669 . 1 1 57 57 LYS HE2 H 1 2.772 0.017 . 1 . . 1441 . A 217 LYS HE2 . 34030 1 670 . 1 1 57 57 LYS HE3 H 1 2.772 0.017 . 1 . . 581 . A 217 LYS HE3 . 34030 1 671 . 1 1 57 57 LYS CA C 13 59.520 0.029 . 1 . . 570 . A 217 LYS CA . 34030 1 672 . 1 1 57 57 LYS CB C 13 31.972 0.075 . 1 . . 572 . A 217 LYS CB . 34030 1 673 . 1 1 57 57 LYS CG C 13 25.087 0.073 . 1 . . 575 . A 217 LYS CG . 34030 1 674 . 1 1 57 57 LYS CD C 13 29.333 0.135 . 1 . . 578 . A 217 LYS CD . 34030 1 675 . 1 1 57 57 LYS CE C 13 42.031 0.036 . 1 . . 580 . A 217 LYS CE . 34030 1 676 . 1 1 57 57 LYS N N 15 119.661 0.018 . 1 . . 568 . A 217 LYS N . 34030 1 677 . 1 1 58 58 TYR H H 1 7.684 0.026 . 1 . . 583 . A 218 TYR H . 34030 1 678 . 1 1 58 58 TYR HA H 1 4.345 0.006 . 1 . . 585 . A 218 TYR HA . 34030 1 679 . 1 1 58 58 TYR HB2 H 1 3.232 0.006 . 2 . . 587 . A 218 TYR HB2 . 34030 1 680 . 1 1 58 58 TYR HB3 H 1 2.846 0.009 . 2 . . 588 . A 218 TYR HB3 . 34030 1 681 . 1 1 58 58 TYR HD1 H 1 7.079 0.011 . 3 . . 589 . A 218 TYR HD1 . 34030 1 682 . 1 1 58 58 TYR HD2 H 1 7.079 0.011 . 3 . . 589 . A 218 TYR HD2 . 34030 1 683 . 1 1 58 58 TYR HE1 H 1 6.891 0.016 . 3 . . 590 . A 218 TYR HE1 . 34030 1 684 . 1 1 58 58 TYR HE2 H 1 6.891 0.016 . 3 . . 590 . A 218 TYR HE2 . 34030 1 685 . 1 1 58 58 TYR CA C 13 59.215 0.087 . 1 . . 584 . A 218 TYR CA . 34030 1 686 . 1 1 58 58 TYR CB C 13 37.765 0.044 . 1 . . 586 . A 218 TYR CB . 34030 1 687 . 1 1 58 58 TYR CD1 C 13 132.419 0.076 . 3 . . 592 . A 218 TYR CD1 . 34030 1 688 . 1 1 58 58 TYR CD2 C 13 132.419 0.076 . 3 . . 592 . A 218 TYR CD2 . 34030 1 689 . 1 1 58 58 TYR CE1 C 13 117.617 0.051 . 3 . . 591 . A 218 TYR CE1 . 34030 1 690 . 1 1 58 58 TYR CE2 C 13 117.617 0.051 . 3 . . 591 . A 218 TYR CE2 . 34030 1 691 . 1 1 58 58 TYR N N 15 118.524 0.052 . 1 . . 582 . A 218 TYR N . 34030 1 692 . 1 1 59 59 GLN H H 1 8.369 0.027 . 1 . . 594 . A 219 GLN H . 34030 1 693 . 1 1 59 59 GLN HA H 1 3.694 0.001 . 1 . . 596 . A 219 GLN HA . 34030 1 694 . 1 1 59 59 GLN HB2 H 1 1.875 0.020 . 2 . . 598 . A 219 GLN HB2 . 34030 1 695 . 1 1 59 59 GLN HB3 H 1 1.844 0.020 . 2 . . 599 . A 219 GLN HB3 . 34030 1 696 . 1 1 59 59 GLN HG2 H 1 1.976 0.020 . 1 . . 1442 . A 219 GLN HG2 . 34030 1 697 . 1 1 59 59 GLN HG3 H 1 1.976 0.020 . 1 . . 601 . A 219 GLN HG3 . 34030 1 698 . 1 1 59 59 GLN HE21 H 1 7.294 0.013 . 1 . . 603 . A 219 GLN HE21 . 34030 1 699 . 1 1 59 59 GLN HE22 H 1 6.801 0.020 . 1 . . 604 . A 219 GLN HE22 . 34030 1 700 . 1 1 59 59 GLN CA C 13 59.741 0.031 . 1 . . 595 . A 219 GLN CA . 34030 1 701 . 1 1 59 59 GLN CB C 13 29.317 0.018 . 1 . . 597 . A 219 GLN CB . 34030 1 702 . 1 1 59 59 GLN CG C 13 35.027 0.055 . 1 . . 600 . A 219 GLN CG . 34030 1 703 . 1 1 59 59 GLN N N 15 118.827 0.046 . 1 . . 593 . A 219 GLN N . 34030 1 704 . 1 1 59 59 GLN NE2 N 15 111.762 0.057 . 1 . . 602 . A 219 GLN NE2 . 34030 1 705 . 1 1 60 60 GLU H H 1 8.047 0.005 . 1 . . 606 . A 220 GLU H . 34030 1 706 . 1 1 60 60 GLU HA H 1 4.084 0.010 . 1 . . 608 . A 220 GLU HA . 34030 1 707 . 1 1 60 60 GLU HB2 H 1 2.121 0.020 . 1 . . 610 . A 220 GLU HB2 . 34030 1 708 . 1 1 60 60 GLU HB3 H 1 2.121 0.020 . 1 . . 1443 . A 220 GLU HB3 . 34030 1 709 . 1 1 60 60 GLU HG2 H 1 2.304 0.003 . 2 . . 612 . A 220 GLU HG2 . 34030 1 710 . 1 1 60 60 GLU HG3 H 1 2.250 0.004 . 2 . . 613 . A 220 GLU HG3 . 34030 1 711 . 1 1 60 60 GLU CA C 13 59.136 0.058 . 1 . . 607 . A 220 GLU CA . 34030 1 712 . 1 1 60 60 GLU CB C 13 28.871 0.200 . 1 . . 609 . A 220 GLU CB . 34030 1 713 . 1 1 60 60 GLU CG C 13 36.032 0.134 . 1 . . 611 . A 220 GLU CG . 34030 1 714 . 1 1 60 60 GLU N N 15 121.577 0.115 . 1 . . 605 . A 220 GLU N . 34030 1 715 . 1 1 61 61 GLN H H 1 8.400 0.026 . 1 . . 615 . A 221 GLN H . 34030 1 716 . 1 1 61 61 GLN HA H 1 3.609 0.017 . 1 . . 617 . A 221 GLN HA . 34030 1 717 . 1 1 61 61 GLN HB2 H 1 2.545 0.020 . 2 . . 619 . A 221 GLN HB2 . 34030 1 718 . 1 1 61 61 GLN HB3 H 1 2.045 0.020 . 2 . . 620 . A 221 GLN HB3 . 34030 1 719 . 1 1 61 61 GLN HG2 H 1 2.359 0.014 . 2 . . 622 . A 221 GLN HG2 . 34030 1 720 . 1 1 61 61 GLN HG3 H 1 2.761 0.007 . 2 . . 623 . A 221 GLN HG3 . 34030 1 721 . 1 1 61 61 GLN HE21 H 1 6.309 0.016 . 1 . . 625 . A 221 GLN HE21 . 34030 1 722 . 1 1 61 61 GLN HE22 H 1 5.857 0.020 . 1 . . 626 . A 221 GLN HE22 . 34030 1 723 . 1 1 61 61 GLN CA C 13 59.688 0.042 . 1 . . 616 . A 221 GLN CA . 34030 1 724 . 1 1 61 61 GLN CB C 13 28.834 0.093 . 1 . . 618 . A 221 GLN CB . 34030 1 725 . 1 1 61 61 GLN CG C 13 34.401 0.067 . 1 . . 621 . A 221 GLN CG . 34030 1 726 . 1 1 61 61 GLN N N 15 119.957 0.043 . 1 . . 614 . A 221 GLN N . 34030 1 727 . 1 1 61 61 GLN NE2 N 15 108.196 0.047 . 1 . . 624 . A 221 GLN NE2 . 34030 1 728 . 1 1 62 62 HIS H H 1 7.740 0.018 . 1 . . 628 . A 222 HIS H . 34030 1 729 . 1 1 62 62 HIS HA H 1 3.856 0.020 . 1 . . 630 . A 222 HIS HA . 34030 1 730 . 1 1 62 62 HIS HB2 H 1 2.915 0.009 . 2 . . 632 . A 222 HIS HB2 . 34030 1 731 . 1 1 62 62 HIS HB3 H 1 2.167 0.020 . 2 . . 633 . A 222 HIS HB3 . 34030 1 732 . 1 1 62 62 HIS HD2 H 1 6.889 0.006 . 1 . . 636 . A 222 HIS HD2 . 34030 1 733 . 1 1 62 62 HIS HE1 H 1 7.678 0.020 . 1 . . 637 . A 222 HIS HE1 . 34030 1 734 . 1 1 62 62 HIS CA C 13 60.149 0.086 . 1 . . 629 . A 222 HIS CA . 34030 1 735 . 1 1 62 62 HIS CB C 13 30.021 0.072 . 1 . . 631 . A 222 HIS CB . 34030 1 736 . 1 1 62 62 HIS CD2 C 13 118.887 0.200 . 1 . . 634 . A 222 HIS CD2 . 34030 1 737 . 1 1 62 62 HIS CE1 C 13 138.136 0.200 . 1 . . 635 . A 222 HIS CE1 . 34030 1 738 . 1 1 62 62 HIS N N 15 117.450 0.075 . 1 . . 627 . A 222 HIS N . 34030 1 739 . 1 1 63 63 SER H H 1 7.886 0.012 . 1 . . 639 . A 223 SER H . 34030 1 740 . 1 1 63 63 SER HA H 1 3.781 0.020 . 1 . . 641 . A 223 SER HA . 34030 1 741 . 1 1 63 63 SER HB2 H 1 3.928 0.016 . 1 . . 1444 . A 223 SER HB2 . 34030 1 742 . 1 1 63 63 SER HB3 H 1 3.928 0.016 . 1 . . 643 . A 223 SER HB3 . 34030 1 743 . 1 1 63 63 SER CA C 13 61.917 0.057 . 1 . . 640 . A 223 SER CA . 34030 1 744 . 1 1 63 63 SER CB C 13 62.879 0.039 . 1 . . 642 . A 223 SER CB . 34030 1 745 . 1 1 63 63 SER N N 15 114.548 0.029 . 1 . . 638 . A 223 SER N . 34030 1 746 . 1 1 64 64 VAL H H 1 8.350 0.021 . 1 . . 645 . A 224 VAL H . 34030 1 747 . 1 1 64 64 VAL HA H 1 3.387 0.007 . 1 . . 647 . A 224 VAL HA . 34030 1 748 . 1 1 64 64 VAL HB H 1 1.977 0.019 . 1 . . 649 . A 224 VAL HB . 34030 1 749 . 1 1 64 64 VAL HG11 H 1 0.835 0.020 . 2 . . 650 . A 224 VAL HG11 . 34030 1 750 . 1 1 64 64 VAL HG12 H 1 0.835 0.020 . 2 . . 650 . A 224 VAL HG12 . 34030 1 751 . 1 1 64 64 VAL HG13 H 1 0.835 0.020 . 2 . . 650 . A 224 VAL HG13 . 34030 1 752 . 1 1 64 64 VAL HG21 H 1 0.912 0.015 . 2 . . 651 . A 224 VAL HG21 . 34030 1 753 . 1 1 64 64 VAL HG22 H 1 0.912 0.015 . 2 . . 651 . A 224 VAL HG22 . 34030 1 754 . 1 1 64 64 VAL HG23 H 1 0.912 0.015 . 2 . . 651 . A 224 VAL HG23 . 34030 1 755 . 1 1 64 64 VAL CA C 13 67.297 0.069 . 1 . . 646 . A 224 VAL CA . 34030 1 756 . 1 1 64 64 VAL CB C 13 31.819 0.050 . 1 . . 648 . A 224 VAL CB . 34030 1 757 . 1 1 64 64 VAL CG1 C 13 23.876 0.023 . 2 . . 652 . A 224 VAL CG1 . 34030 1 758 . 1 1 64 64 VAL CG2 C 13 23.766 0.059 . 2 . . 653 . A 224 VAL CG2 . 34030 1 759 . 1 1 64 64 VAL N N 15 121.663 0.063 . 1 . . 644 . A 224 VAL N . 34030 1 760 . 1 1 65 65 MET H H 1 8.615 0.006 . 1 . . 655 . A 225 MET H . 34030 1 761 . 1 1 65 65 MET HA H 1 3.771 0.027 . 1 . . 657 . A 225 MET HA . 34030 1 762 . 1 1 65 65 MET HB2 H 1 2.184 0.020 . 2 . . 659 . A 225 MET HB2 . 34030 1 763 . 1 1 65 65 MET HB3 H 1 2.111 0.013 . 2 . . 660 . A 225 MET HB3 . 34030 1 764 . 1 1 65 65 MET HG2 H 1 2.973 0.006 . 2 . . 662 . A 225 MET HG2 . 34030 1 765 . 1 1 65 65 MET HG3 H 1 2.123 0.003 . 2 . . 663 . A 225 MET HG3 . 34030 1 766 . 1 1 65 65 MET HE1 H 1 1.952 0.020 . 1 . . 664 . A 225 MET HE1 . 34030 1 767 . 1 1 65 65 MET HE2 H 1 1.952 0.020 . 1 . . 664 . A 225 MET HE2 . 34030 1 768 . 1 1 65 65 MET HE3 H 1 1.952 0.020 . 1 . . 664 . A 225 MET HE3 . 34030 1 769 . 1 1 65 65 MET CA C 13 61.248 0.103 . 1 . . 656 . A 225 MET CA . 34030 1 770 . 1 1 65 65 MET CB C 13 33.080 0.061 . 1 . . 658 . A 225 MET CB . 34030 1 771 . 1 1 65 65 MET CG C 13 35.440 0.030 . 1 . . 661 . A 225 MET CG . 34030 1 772 . 1 1 65 65 MET CE C 13 18.573 0.027 . 1 . . 665 . A 225 MET CE . 34030 1 773 . 1 1 65 65 MET N N 15 119.005 0.041 . 1 . . 654 . A 225 MET N . 34030 1 774 . 1 1 66 66 CYS H H 1 8.440 0.013 . 1 . . 667 . A 226 CYS H . 34030 1 775 . 1 1 66 66 CYS HA H 1 3.955 0.006 . 1 . . 669 . A 226 CYS HA . 34030 1 776 . 1 1 66 66 CYS HB2 H 1 2.928 0.024 . 2 . . 671 . A 226 CYS HB2 . 34030 1 777 . 1 1 66 66 CYS HB3 H 1 2.639 0.024 . 2 . . 672 . A 226 CYS HB3 . 34030 1 778 . 1 1 66 66 CYS CA C 13 64.900 0.059 . 1 . . 668 . A 226 CYS CA . 34030 1 779 . 1 1 66 66 CYS CB C 13 26.494 0.038 . 1 . . 670 . A 226 CYS CB . 34030 1 780 . 1 1 66 66 CYS N N 15 117.772 0.076 . 1 . . 666 . A 226 CYS N . 34030 1 781 . 1 1 67 67 LYS H H 1 7.659 0.025 . 1 . . 674 . A 227 LYS H . 34030 1 782 . 1 1 67 67 LYS HA H 1 3.950 0.015 . 1 . . 676 . A 227 LYS HA . 34030 1 783 . 1 1 67 67 LYS HB2 H 1 2.062 0.011 . 2 . . 678 . A 227 LYS HB2 . 34030 1 784 . 1 1 67 67 LYS HB3 H 1 1.752 0.010 . 2 . . 679 . A 227 LYS HB3 . 34030 1 785 . 1 1 67 67 LYS HG2 H 1 1.587 0.020 . 2 . . 681 . A 227 LYS HG2 . 34030 1 786 . 1 1 67 67 LYS HG3 H 1 1.329 0.035 . 2 . . 682 . A 227 LYS HG3 . 34030 1 787 . 1 1 67 67 LYS HD2 H 1 1.448 0.028 . 1 . . 1445 . A 227 LYS HD2 . 34030 1 788 . 1 1 67 67 LYS HD3 H 1 1.448 0.028 . 1 . . 684 . A 227 LYS HD3 . 34030 1 789 . 1 1 67 67 LYS HE2 H 1 2.782 0.004 . 1 . . 1446 . A 227 LYS HE2 . 34030 1 790 . 1 1 67 67 LYS HE3 H 1 2.782 0.004 . 1 . . 686 . A 227 LYS HE3 . 34030 1 791 . 1 1 67 67 LYS CA C 13 59.739 0.057 . 1 . . 675 . A 227 LYS CA . 34030 1 792 . 1 1 67 67 LYS CB C 13 32.904 0.092 . 1 . . 677 . A 227 LYS CB . 34030 1 793 . 1 1 67 67 LYS CG C 13 26.048 0.101 . 1 . . 680 . A 227 LYS CG . 34030 1 794 . 1 1 67 67 LYS CD C 13 29.401 0.141 . 1 . . 683 . A 227 LYS CD . 34030 1 795 . 1 1 67 67 LYS CE C 13 42.156 0.021 . 1 . . 685 . A 227 LYS CE . 34030 1 796 . 1 1 67 67 LYS N N 15 120.547 0.062 . 1 . . 673 . A 227 LYS N . 34030 1 797 . 1 1 68 68 ILE H H 1 8.164 0.019 . 1 . . 688 . A 228 ILE H . 34030 1 798 . 1 1 68 68 ILE HA H 1 3.246 0.013 . 1 . . 690 . A 228 ILE HA . 34030 1 799 . 1 1 68 68 ILE HB H 1 1.950 0.018 . 1 . . 692 . A 228 ILE HB . 34030 1 800 . 1 1 68 68 ILE HG12 H 1 1.939 0.020 . 2 . . 696 . A 228 ILE HG12 . 34030 1 801 . 1 1 68 68 ILE HG13 H 1 0.589 0.025 . 2 . . 697 . A 228 ILE HG13 . 34030 1 802 . 1 1 68 68 ILE HG21 H 1 0.792 0.009 . 1 . . 693 . A 228 ILE HG21 . 34030 1 803 . 1 1 68 68 ILE HG22 H 1 0.792 0.009 . 1 . . 693 . A 228 ILE HG22 . 34030 1 804 . 1 1 68 68 ILE HG23 H 1 0.792 0.009 . 1 . . 693 . A 228 ILE HG23 . 34030 1 805 . 1 1 68 68 ILE HD11 H 1 0.657 0.003 . 1 . . 698 . A 228 ILE HD11 . 34030 1 806 . 1 1 68 68 ILE HD12 H 1 0.657 0.003 . 1 . . 698 . A 228 ILE HD12 . 34030 1 807 . 1 1 68 68 ILE HD13 H 1 0.657 0.003 . 1 . . 698 . A 228 ILE HD13 . 34030 1 808 . 1 1 68 68 ILE CA C 13 66.839 0.071 . 1 . . 689 . A 228 ILE CA . 34030 1 809 . 1 1 68 68 ILE CB C 13 38.151 0.084 . 1 . . 691 . A 228 ILE CB . 34030 1 810 . 1 1 68 68 ILE CG1 C 13 31.516 0.056 . 1 . . 695 . A 228 ILE CG1 . 34030 1 811 . 1 1 68 68 ILE CG2 C 13 19.582 0.121 . 1 . . 694 . A 228 ILE CG2 . 34030 1 812 . 1 1 68 68 ILE CD1 C 13 14.264 0.042 . 1 . . 699 . A 228 ILE CD1 . 34030 1 813 . 1 1 68 68 ILE N N 15 120.915 0.034 . 1 . . 687 . A 228 ILE N . 34030 1 814 . 1 1 69 69 CYS H H 1 8.256 0.019 . 1 . . 701 . A 229 CYS H . 34030 1 815 . 1 1 69 69 CYS HA H 1 4.187 0.020 . 1 . . 703 . A 229 CYS HA . 34030 1 816 . 1 1 69 69 CYS HB2 H 1 3.300 0.006 . 2 . . 705 . A 229 CYS HB2 . 34030 1 817 . 1 1 69 69 CYS HB3 H 1 2.965 0.011 . 2 . . 706 . A 229 CYS HB3 . 34030 1 818 . 1 1 69 69 CYS HG H 1 2.551 0.005 . 1 . . 707 . A 229 CYS HG . 34030 1 819 . 1 1 69 69 CYS CA C 13 66.357 0.087 . 1 . . 702 . A 229 CYS CA . 34030 1 820 . 1 1 69 69 CYS CB C 13 26.755 0.055 . 1 . . 704 . A 229 CYS CB . 34030 1 821 . 1 1 69 69 CYS N N 15 117.517 0.044 . 1 . . 700 . A 229 CYS N . 34030 1 822 . 1 1 70 70 GLU H H 1 8.241 0.004 . 1 . . 709 . A 230 GLU H . 34030 1 823 . 1 1 70 70 GLU HA H 1 3.913 0.013 . 1 . . 711 . A 230 GLU HA . 34030 1 824 . 1 1 70 70 GLU HB2 H 1 1.956 0.020 . 2 . . 713 . A 230 GLU HB2 . 34030 1 825 . 1 1 70 70 GLU HB3 H 1 2.055 0.020 . 2 . . 714 . A 230 GLU HB3 . 34030 1 826 . 1 1 70 70 GLU HG2 H 1 2.374 0.003 . 2 . . 716 . A 230 GLU HG2 . 34030 1 827 . 1 1 70 70 GLU HG3 H 1 2.113 0.020 . 2 . . 717 . A 230 GLU HG3 . 34030 1 828 . 1 1 70 70 GLU CA C 13 59.567 0.025 . 1 . . 710 . A 230 GLU CA . 34030 1 829 . 1 1 70 70 GLU CB C 13 29.755 0.030 . 1 . . 712 . A 230 GLU CB . 34030 1 830 . 1 1 70 70 GLU CG C 13 36.586 0.119 . 1 . . 715 . A 230 GLU CG . 34030 1 831 . 1 1 70 70 GLU N N 15 117.825 0.037 . 1 . . 708 . A 230 GLU N . 34030 1 832 . 1 1 71 71 GLN H H 1 7.347 0.015 . 1 . . 719 . A 231 GLN H . 34030 1 833 . 1 1 71 71 GLN HA H 1 3.800 0.017 . 1 . . 721 . A 231 GLN HA . 34030 1 834 . 1 1 71 71 GLN HB2 H 1 1.833 0.002 . 2 . . 723 . A 231 GLN HB2 . 34030 1 835 . 1 1 71 71 GLN HB3 H 1 1.689 0.020 . 2 . . 724 . A 231 GLN HB3 . 34030 1 836 . 1 1 71 71 GLN HG2 H 1 2.518 0.004 . 2 . . 726 . A 231 GLN HG2 . 34030 1 837 . 1 1 71 71 GLN HG3 H 1 1.764 0.003 . 2 . . 727 . A 231 GLN HG3 . 34030 1 838 . 1 1 71 71 GLN HE21 H 1 7.706 0.020 . 1 . . 729 . A 231 GLN HE21 . 34030 1 839 . 1 1 71 71 GLN HE22 H 1 6.744 0.011 . 1 . . 730 . A 231 GLN HE22 . 34030 1 840 . 1 1 71 71 GLN CA C 13 58.092 0.044 . 1 . . 720 . A 231 GLN CA . 34030 1 841 . 1 1 71 71 GLN CB C 13 27.618 0.076 . 1 . . 722 . A 231 GLN CB . 34030 1 842 . 1 1 71 71 GLN CG C 13 33.205 0.048 . 1 . . 725 . A 231 GLN CG . 34030 1 843 . 1 1 71 71 GLN N N 15 117.003 0.043 . 1 . . 718 . A 231 GLN N . 34030 1 844 . 1 1 71 71 GLN NE2 N 15 115.001 0.063 . 1 . . 728 . A 231 GLN NE2 . 34030 1 845 . 1 1 72 72 PHE H H 1 7.447 0.017 . 1 . . 732 . A 232 PHE H . 34030 1 846 . 1 1 72 72 PHE HA H 1 4.315 0.001 . 1 . . 734 . A 232 PHE HA . 34030 1 847 . 1 1 72 72 PHE HB2 H 1 2.822 0.001 . 2 . . 736 . A 232 PHE HB2 . 34030 1 848 . 1 1 72 72 PHE HB3 H 1 2.412 0.008 . 2 . . 737 . A 232 PHE HB3 . 34030 1 849 . 1 1 72 72 PHE HD1 H 1 7.280 0.012 . 3 . . 738 . A 232 PHE HD1 . 34030 1 850 . 1 1 72 72 PHE HD2 H 1 7.280 0.012 . 3 . . 738 . A 232 PHE HD2 . 34030 1 851 . 1 1 72 72 PHE HE1 H 1 7.188 0.009 . 3 . . 739 . A 232 PHE HE1 . 34030 1 852 . 1 1 72 72 PHE HE2 H 1 7.188 0.009 . 3 . . 739 . A 232 PHE HE2 . 34030 1 853 . 1 1 72 72 PHE HZ H 1 7.211 0.012 . 1 . . 742 . A 232 PHE HZ . 34030 1 854 . 1 1 72 72 PHE CA C 13 60.500 0.032 . 1 . . 733 . A 232 PHE CA . 34030 1 855 . 1 1 72 72 PHE CB C 13 39.181 0.119 . 1 . . 735 . A 232 PHE CB . 34030 1 856 . 1 1 72 72 PHE CD1 C 13 130.959 0.053 . 3 . . 740 . A 232 PHE CD1 . 34030 1 857 . 1 1 72 72 PHE CD2 C 13 130.959 0.053 . 3 . . 740 . A 232 PHE CD2 . 34030 1 858 . 1 1 72 72 PHE CE1 C 13 131.031 0.091 . 3 . . 743 . A 232 PHE CE1 . 34030 1 859 . 1 1 72 72 PHE CE2 C 13 131.031 0.091 . 3 . . 743 . A 232 PHE CE2 . 34030 1 860 . 1 1 72 72 PHE CZ C 13 130.078 0.200 . 1 . . 741 . A 232 PHE CZ . 34030 1 861 . 1 1 72 72 PHE N N 15 115.975 0.045 . 1 . . 731 . A 232 PHE N . 34030 1 862 . 1 1 73 73 GLU H H 1 8.381 0.017 . 1 . . 745 . A 233 GLU H . 34030 1 863 . 1 1 73 73 GLU HA H 1 3.777 0.001 . 1 . . 747 . A 233 GLU HA . 34030 1 864 . 1 1 73 73 GLU HB2 H 1 1.948 0.020 . 1 . . 749 . A 233 GLU HB2 . 34030 1 865 . 1 1 73 73 GLU HB3 H 1 1.948 0.020 . 1 . . 1447 . A 233 GLU HB3 . 34030 1 866 . 1 1 73 73 GLU HG2 H 1 2.413 0.020 . 1 . . 1448 . A 233 GLU HG2 . 34030 1 867 . 1 1 73 73 GLU HG3 H 1 2.413 0.020 . 1 . . 751 . A 233 GLU HG3 . 34030 1 868 . 1 1 73 73 GLU CA C 13 58.082 0.036 . 1 . . 746 . A 233 GLU CA . 34030 1 869 . 1 1 73 73 GLU CB C 13 28.925 0.130 . 1 . . 748 . A 233 GLU CB . 34030 1 870 . 1 1 73 73 GLU CG C 13 36.415 0.200 . 1 . . 750 . A 233 GLU CG . 34030 1 871 . 1 1 73 73 GLU N N 15 118.769 0.019 . 1 . . 744 . A 233 GLU N . 34030 1 872 . 1 1 74 74 ALA H H 1 7.173 0.016 . 1 . . 753 . A 234 ALA H . 34030 1 873 . 1 1 74 74 ALA HA H 1 4.196 0.010 . 1 . . 755 . A 234 ALA HA . 34030 1 874 . 1 1 74 74 ALA HB1 H 1 1.371 0.020 . 1 . . 756 . A 234 ALA HB1 . 34030 1 875 . 1 1 74 74 ALA HB2 H 1 1.371 0.020 . 1 . . 756 . A 234 ALA HB2 . 34030 1 876 . 1 1 74 74 ALA HB3 H 1 1.371 0.020 . 1 . . 756 . A 234 ALA HB3 . 34030 1 877 . 1 1 74 74 ALA CA C 13 52.211 0.031 . 1 . . 754 . A 234 ALA CA . 34030 1 878 . 1 1 74 74 ALA CB C 13 19.391 0.005 . 1 . . 757 . A 234 ALA CB . 34030 1 879 . 1 1 74 74 ALA N N 15 119.922 0.026 . 1 . . 752 . A 234 ALA N . 34030 1 880 . 1 1 75 75 GLU H H 1 6.954 0.013 . 1 . . 759 . A 235 GLU H . 34030 1 881 . 1 1 75 75 GLU HA H 1 4.150 0.022 . 1 . . 761 . A 235 GLU HA . 34030 1 882 . 1 1 75 75 GLU HB2 H 1 1.938 0.004 . 2 . . 763 . A 235 GLU HB2 . 34030 1 883 . 1 1 75 75 GLU HB3 H 1 1.890 0.005 . 2 . . 764 . A 235 GLU HB3 . 34030 1 884 . 1 1 75 75 GLU HG2 H 1 2.395 0.013 . 2 . . 766 . A 235 GLU HG2 . 34030 1 885 . 1 1 75 75 GLU HG3 H 1 2.034 0.003 . 2 . . 767 . A 235 GLU HG3 . 34030 1 886 . 1 1 75 75 GLU CA C 13 57.757 0.035 . 1 . . 760 . A 235 GLU CA . 34030 1 887 . 1 1 75 75 GLU CB C 13 30.449 0.064 . 1 . . 762 . A 235 GLU CB . 34030 1 888 . 1 1 75 75 GLU CG C 13 36.293 0.097 . 1 . . 765 . A 235 GLU CG . 34030 1 889 . 1 1 75 75 GLU N N 15 119.198 0.087 . 1 . . 758 . A 235 GLU N . 34030 1 890 . 1 1 76 76 THR H H 1 8.412 0.020 . 1 . . 769 . A 236 THR H . 34030 1 891 . 1 1 76 76 THR HA H 1 5.041 0.007 . 1 . . 771 . A 236 THR HA . 34030 1 892 . 1 1 76 76 THR HB H 1 4.306 0.008 . 1 . . 773 . A 236 THR HB . 34030 1 893 . 1 1 76 76 THR HG21 H 1 1.175 0.026 . 1 . . 774 . A 236 THR HG21 . 34030 1 894 . 1 1 76 76 THR HG22 H 1 1.175 0.026 . 1 . . 774 . A 236 THR HG22 . 34030 1 895 . 1 1 76 76 THR HG23 H 1 1.175 0.026 . 1 . . 774 . A 236 THR HG23 . 34030 1 896 . 1 1 76 76 THR CA C 13 59.382 0.060 . 1 . . 770 . A 236 THR CA . 34030 1 897 . 1 1 76 76 THR CB C 13 70.625 0.025 . 1 . . 772 . A 236 THR CB . 34030 1 898 . 1 1 76 76 THR CG2 C 13 21.329 0.078 . 1 . . 775 . A 236 THR CG2 . 34030 1 899 . 1 1 76 76 THR N N 15 116.668 0.053 . 1 . . 768 . A 236 THR N . 34030 1 900 . 1 1 77 77 PRO HA H 1 4.446 0.008 . 1 . . 778 . A 237 PRO HA . 34030 1 901 . 1 1 77 77 PRO HB2 H 1 2.386 0.010 . 2 . . 780 . A 237 PRO HB2 . 34030 1 902 . 1 1 77 77 PRO HB3 H 1 1.896 0.006 . 2 . . 781 . A 237 PRO HB3 . 34030 1 903 . 1 1 77 77 PRO HG2 H 1 1.950 0.001 . 2 . . 783 . A 237 PRO HG2 . 34030 1 904 . 1 1 77 77 PRO HG3 H 1 1.984 0.004 . 2 . . 784 . A 237 PRO HG3 . 34030 1 905 . 1 1 77 77 PRO HD2 H 1 3.829 0.012 . 2 . . 785 . A 237 PRO HD2 . 34030 1 906 . 1 1 77 77 PRO HD3 H 1 3.804 0.013 . 2 . . 786 . A 237 PRO HD3 . 34030 1 907 . 1 1 77 77 PRO CA C 13 64.257 0.116 . 1 . . 777 . A 237 PRO CA . 34030 1 908 . 1 1 77 77 PRO CB C 13 32.614 0.068 . 1 . . 779 . A 237 PRO CB . 34030 1 909 . 1 1 77 77 PRO CG C 13 27.622 0.101 . 1 . . 782 . A 237 PRO CG . 34030 1 910 . 1 1 77 77 PRO CD C 13 51.362 0.071 . 1 . . 776 . A 237 PRO CD . 34030 1 911 . 1 1 78 78 THR H H 1 7.375 0.011 . 1 . . 788 . A 238 THR H . 34030 1 912 . 1 1 78 78 THR HA H 1 4.364 0.020 . 1 . . 790 . A 238 THR HA . 34030 1 913 . 1 1 78 78 THR HB H 1 4.464 0.020 . 1 . . 792 . A 238 THR HB . 34030 1 914 . 1 1 78 78 THR HG21 H 1 1.048 0.006 . 1 . . 793 . A 238 THR HG21 . 34030 1 915 . 1 1 78 78 THR HG22 H 1 1.048 0.006 . 1 . . 793 . A 238 THR HG22 . 34030 1 916 . 1 1 78 78 THR HG23 H 1 1.048 0.006 . 1 . . 793 . A 238 THR HG23 . 34030 1 917 . 1 1 78 78 THR CA C 13 60.412 0.011 . 1 . . 789 . A 238 THR CA . 34030 1 918 . 1 1 78 78 THR CB C 13 68.368 0.011 . 1 . . 791 . A 238 THR CB . 34030 1 919 . 1 1 78 78 THR CG2 C 13 21.617 0.004 . 1 . . 794 . A 238 THR CG2 . 34030 1 920 . 1 1 78 78 THR N N 15 105.023 0.060 . 1 . . 787 . A 238 THR N . 34030 1 921 . 1 1 79 79 ASP H H 1 7.213 0.013 . 1 . . 796 . A 239 ASP H . 34030 1 922 . 1 1 79 79 ASP HA H 1 4.428 0.003 . 1 . . 798 . A 239 ASP HA . 34030 1 923 . 1 1 79 79 ASP HB2 H 1 2.441 0.024 . 2 . . 800 . A 239 ASP HB2 . 34030 1 924 . 1 1 79 79 ASP HB3 H 1 2.747 0.020 . 2 . . 801 . A 239 ASP HB3 . 34030 1 925 . 1 1 79 79 ASP CA C 13 55.295 0.099 . 1 . . 797 . A 239 ASP CA . 34030 1 926 . 1 1 79 79 ASP CB C 13 41.522 0.065 . 1 . . 799 . A 239 ASP CB . 34030 1 927 . 1 1 79 79 ASP N N 15 123.318 0.099 . 1 . . 795 . A 239 ASP N . 34030 1 928 . 1 1 80 80 SER H H 1 8.913 0.017 . 1 . . 803 . A 240 SER H . 34030 1 929 . 1 1 80 80 SER HA H 1 4.389 0.020 . 1 . . 805 . A 240 SER HA . 34030 1 930 . 1 1 80 80 SER HB2 H 1 4.042 0.005 . 2 . . 807 . A 240 SER HB2 . 34030 1 931 . 1 1 80 80 SER HB3 H 1 4.345 0.020 . 2 . . 808 . A 240 SER HB3 . 34030 1 932 . 1 1 80 80 SER CA C 13 57.230 0.087 . 1 . . 804 . A 240 SER CA . 34030 1 933 . 1 1 80 80 SER CB C 13 65.405 0.102 . 1 . . 806 . A 240 SER CB . 34030 1 934 . 1 1 80 80 SER N N 15 119.132 0.046 . 1 . . 802 . A 240 SER N . 34030 1 935 . 1 1 81 81 GLU H H 1 9.136 0.008 . 1 . . 810 . A 241 GLU H . 34030 1 936 . 1 1 81 81 GLU HA H 1 3.987 0.020 . 1 . . 812 . A 241 GLU HA . 34030 1 937 . 1 1 81 81 GLU HB2 H 1 2.010 0.001 . 2 . . 814 . A 241 GLU HB2 . 34030 1 938 . 1 1 81 81 GLU HB3 H 1 2.036 0.020 . 2 . . 815 . A 241 GLU HB3 . 34030 1 939 . 1 1 81 81 GLU HG2 H 1 2.311 0.020 . 2 . . 817 . A 241 GLU HG2 . 34030 1 940 . 1 1 81 81 GLU HG3 H 1 2.216 0.031 . 2 . . 818 . A 241 GLU HG3 . 34030 1 941 . 1 1 81 81 GLU CA C 13 60.131 0.156 . 1 . . 811 . A 241 GLU CA . 34030 1 942 . 1 1 81 81 GLU CB C 13 29.438 0.017 . 1 . . 813 . A 241 GLU CB . 34030 1 943 . 1 1 81 81 GLU CG C 13 36.674 0.058 . 1 . . 816 . A 241 GLU CG . 34030 1 944 . 1 1 81 81 GLU N N 15 121.809 0.027 . 1 . . 809 . A 241 GLU N . 34030 1 945 . 1 1 82 82 THR H H 1 7.988 0.019 . 1 . . 820 . A 242 THR H . 34030 1 946 . 1 1 82 82 THR HA H 1 3.889 0.006 . 1 . . 822 . A 242 THR HA . 34030 1 947 . 1 1 82 82 THR HB H 1 4.022 0.011 . 1 . . 824 . A 242 THR HB . 34030 1 948 . 1 1 82 82 THR HG21 H 1 1.183 0.001 . 1 . . 825 . A 242 THR HG21 . 34030 1 949 . 1 1 82 82 THR HG22 H 1 1.183 0.001 . 1 . . 825 . A 242 THR HG22 . 34030 1 950 . 1 1 82 82 THR HG23 H 1 1.183 0.001 . 1 . . 825 . A 242 THR HG23 . 34030 1 951 . 1 1 82 82 THR CA C 13 66.245 0.151 . 1 . . 821 . A 242 THR CA . 34030 1 952 . 1 1 82 82 THR CB C 13 68.517 0.098 . 1 . . 823 . A 242 THR CB . 34030 1 953 . 1 1 82 82 THR CG2 C 13 22.050 0.015 . 1 . . 826 . A 242 THR CG2 . 34030 1 954 . 1 1 82 82 THR N N 15 113.667 0.101 . 1 . . 819 . A 242 THR N . 34030 1 955 . 1 1 83 83 THR H H 1 7.813 0.019 . 1 . . 828 . A 243 THR H . 34030 1 956 . 1 1 83 83 THR HA H 1 3.846 0.004 . 1 . . 830 . A 243 THR HA . 34030 1 957 . 1 1 83 83 THR HB H 1 4.217 0.020 . 1 . . 832 . A 243 THR HB . 34030 1 958 . 1 1 83 83 THR HG21 H 1 1.106 0.010 . 1 . . 833 . A 243 THR HG21 . 34030 1 959 . 1 1 83 83 THR HG22 H 1 1.106 0.010 . 1 . . 833 . A 243 THR HG22 . 34030 1 960 . 1 1 83 83 THR HG23 H 1 1.106 0.010 . 1 . . 833 . A 243 THR HG23 . 34030 1 961 . 1 1 83 83 THR CA C 13 66.613 0.047 . 1 . . 829 . A 243 THR CA . 34030 1 962 . 1 1 83 83 THR CB C 13 68.521 0.068 . 1 . . 831 . A 243 THR CB . 34030 1 963 . 1 1 83 83 THR CG2 C 13 21.840 0.029 . 1 . . 834 . A 243 THR CG2 . 34030 1 964 . 1 1 83 83 THR N N 15 122.707 0.035 . 1 . . 827 . A 243 THR N . 34030 1 965 . 1 1 84 84 GLN H H 1 8.443 0.012 . 1 . . 836 . A 244 GLN H . 34030 1 966 . 1 1 84 84 GLN HA H 1 3.980 0.020 . 1 . . 838 . A 244 GLN HA . 34030 1 967 . 1 1 84 84 GLN HB2 H 1 2.063 0.020 . 1 . . 1449 . A 244 GLN HB2 . 34030 1 968 . 1 1 84 84 GLN HB3 H 1 2.063 0.020 . 1 . . 839 . A 244 GLN HB3 . 34030 1 969 . 1 1 84 84 GLN HG2 H 1 2.301 0.007 . 2 . . 841 . A 244 GLN HG2 . 34030 1 970 . 1 1 84 84 GLN HG3 H 1 2.379 0.004 . 2 . . 842 . A 244 GLN HG3 . 34030 1 971 . 1 1 84 84 GLN HE21 H 1 7.117 0.001 . 1 . . 844 . A 244 GLN HE21 . 34030 1 972 . 1 1 84 84 GLN HE22 H 1 6.764 0.020 . 1 . . 845 . A 244 GLN HE22 . 34030 1 973 . 1 1 84 84 GLN CA C 13 59.536 0.206 . 1 . . 837 . A 244 GLN CA . 34030 1 974 . 1 1 84 84 GLN CG C 13 34.246 0.185 . 1 . . 840 . A 244 GLN CG . 34030 1 975 . 1 1 84 84 GLN N N 15 121.156 0.032 . 1 . . 835 . A 244 GLN N . 34030 1 976 . 1 1 84 84 GLN NE2 N 15 111.724 0.063 . 1 . . 843 . A 244 GLN NE2 . 34030 1 977 . 1 1 85 85 LYS H H 1 8.332 0.019 . 1 . . 847 . A 245 LYS H . 34030 1 978 . 1 1 85 85 LYS HA H 1 4.063 0.021 . 1 . . 849 . A 245 LYS HA . 34030 1 979 . 1 1 85 85 LYS HB2 H 1 1.853 0.004 . 1 . . 1450 . A 245 LYS HB2 . 34030 1 980 . 1 1 85 85 LYS HB3 H 1 1.853 0.004 . 1 . . 851 . A 245 LYS HB3 . 34030 1 981 . 1 1 85 85 LYS HG2 H 1 1.364 0.020 . 2 . . 853 . A 245 LYS HG2 . 34030 1 982 . 1 1 85 85 LYS HG3 H 1 1.503 0.020 . 2 . . 854 . A 245 LYS HG3 . 34030 1 983 . 1 1 85 85 LYS HD2 H 1 1.634 0.020 . 1 . . 1451 . A 245 LYS HD2 . 34030 1 984 . 1 1 85 85 LYS HD3 H 1 1.634 0.020 . 1 . . 856 . A 245 LYS HD3 . 34030 1 985 . 1 1 85 85 LYS HE2 H 1 2.891 0.009 . 1 . . 1452 . A 245 LYS HE2 . 34030 1 986 . 1 1 85 85 LYS HE3 H 1 2.891 0.009 . 1 . . 858 . A 245 LYS HE3 . 34030 1 987 . 1 1 85 85 LYS CA C 13 59.767 0.018 . 1 . . 848 . A 245 LYS CA . 34030 1 988 . 1 1 85 85 LYS CB C 13 32.591 0.041 . 1 . . 850 . A 245 LYS CB . 34030 1 989 . 1 1 85 85 LYS CG C 13 25.224 0.099 . 1 . . 852 . A 245 LYS CG . 34030 1 990 . 1 1 85 85 LYS CD C 13 29.495 0.045 . 1 . . 855 . A 245 LYS CD . 34030 1 991 . 1 1 85 85 LYS CE C 13 42.199 0.007 . 1 . . 857 . A 245 LYS CE . 34030 1 992 . 1 1 85 85 LYS N N 15 121.322 0.035 . 1 . . 846 . A 245 LYS N . 34030 1 993 . 1 1 86 86 ALA H H 1 7.818 0.006 . 1 . . 860 . A 246 ALA H . 34030 1 994 . 1 1 86 86 ALA HA H 1 4.118 0.020 . 1 . . 862 . A 246 ALA HA . 34030 1 995 . 1 1 86 86 ALA HB1 H 1 1.404 0.027 . 1 . . 863 . A 246 ALA HB1 . 34030 1 996 . 1 1 86 86 ALA HB2 H 1 1.404 0.027 . 1 . . 863 . A 246 ALA HB2 . 34030 1 997 . 1 1 86 86 ALA HB3 H 1 1.404 0.027 . 1 . . 863 . A 246 ALA HB3 . 34030 1 998 . 1 1 86 86 ALA CA C 13 54.918 0.128 . 1 . . 861 . A 246 ALA CA . 34030 1 999 . 1 1 86 86 ALA CB C 13 17.929 0.016 . 1 . . 864 . A 246 ALA CB . 34030 1 1000 . 1 1 86 86 ALA N N 15 120.929 0.013 . 1 . . 859 . A 246 ALA N . 34030 1 1001 . 1 1 87 87 ARG H H 1 7.966 0.011 . 1 . . 866 . A 247 ARG H . 34030 1 1002 . 1 1 87 87 ARG HA H 1 3.951 0.041 . 1 . . 868 . A 247 ARG HA . 34030 1 1003 . 1 1 87 87 ARG HB2 H 1 1.786 0.020 . 1 . . 870 . A 247 ARG HB2 . 34030 1 1004 . 1 1 87 87 ARG HB3 H 1 1.786 0.020 . 1 . . 1453 . A 247 ARG HB3 . 34030 1 1005 . 1 1 87 87 ARG HG2 H 1 1.650 0.020 . 2 . . 872 . A 247 ARG HG2 . 34030 1 1006 . 1 1 87 87 ARG HG3 H 1 1.386 0.020 . 2 . . 873 . A 247 ARG HG3 . 34030 1 1007 . 1 1 87 87 ARG HD2 H 1 3.127 0.010 . 1 . . 875 . A 247 ARG HD2 . 34030 1 1008 . 1 1 87 87 ARG HD3 H 1 3.127 0.010 . 1 . . 1454 . A 247 ARG HD3 . 34030 1 1009 . 1 1 87 87 ARG HE H 1 7.011 0.020 . 1 . . 877 . A 247 ARG HE . 34030 1 1010 . 1 1 87 87 ARG CA C 13 59.633 0.065 . 1 . . 867 . A 247 ARG CA . 34030 1 1011 . 1 1 87 87 ARG CB C 13 29.450 0.046 . 1 . . 869 . A 247 ARG CB . 34030 1 1012 . 1 1 87 87 ARG CG C 13 27.600 0.099 . 1 . . 871 . A 247 ARG CG . 34030 1 1013 . 1 1 87 87 ARG CD C 13 43.386 0.045 . 1 . . 874 . A 247 ARG CD . 34030 1 1014 . 1 1 87 87 ARG N N 15 119.867 0.020 . 1 . . 865 . A 247 ARG N . 34030 1 1015 . 1 1 87 87 ARG NE N 15 85.195 0.080 . 1 . . 876 . A 247 ARG NE . 34030 1 1016 . 1 1 88 88 PHE H H 1 8.115 0.025 . 1 . . 879 . A 248 PHE H . 34030 1 1017 . 1 1 88 88 PHE HA H 1 4.101 0.028 . 1 . . 881 . A 248 PHE HA . 34030 1 1018 . 1 1 88 88 PHE HB2 H 1 3.213 0.009 . 1 . . 1455 . A 248 PHE HB2 . 34030 1 1019 . 1 1 88 88 PHE HB3 H 1 3.213 0.009 . 1 . . 883 . A 248 PHE HB3 . 34030 1 1020 . 1 1 88 88 PHE HD1 H 1 7.190 0.008 . 3 . . 884 . A 248 PHE HD1 . 34030 1 1021 . 1 1 88 88 PHE HD2 H 1 7.190 0.008 . 3 . . 884 . A 248 PHE HD2 . 34030 1 1022 . 1 1 88 88 PHE HE1 H 1 7.188 0.020 . 3 . . 885 . A 248 PHE HE1 . 34030 1 1023 . 1 1 88 88 PHE HE2 H 1 7.188 0.020 . 3 . . 885 . A 248 PHE HE2 . 34030 1 1024 . 1 1 88 88 PHE HZ H 1 7.085 0.020 . 1 . . 889 . A 248 PHE HZ . 34030 1 1025 . 1 1 88 88 PHE CA C 13 61.307 0.015 . 1 . . 880 . A 248 PHE CA . 34030 1 1026 . 1 1 88 88 PHE CB C 13 38.888 0.015 . 1 . . 882 . A 248 PHE CB . 34030 1 1027 . 1 1 88 88 PHE CD1 C 13 132.177 0.137 . 3 . . 886 . A 248 PHE CD1 . 34030 1 1028 . 1 1 88 88 PHE CD2 C 13 132.177 0.137 . 3 . . 886 . A 248 PHE CD2 . 34030 1 1029 . 1 1 88 88 PHE CE1 C 13 131.495 0.200 . 3 . . 887 . A 248 PHE CE1 . 34030 1 1030 . 1 1 88 88 PHE CE2 C 13 131.495 0.200 . 3 . . 887 . A 248 PHE CE2 . 34030 1 1031 . 1 1 88 88 PHE CZ C 13 129.446 0.200 . 1 . . 888 . A 248 PHE CZ . 34030 1 1032 . 1 1 88 88 PHE N N 15 119.762 0.057 . 1 . . 878 . A 248 PHE N . 34030 1 1033 . 1 1 89 89 GLU H H 1 8.136 0.015 . 1 . . 891 . A 249 GLU H . 34030 1 1034 . 1 1 89 89 GLU HA H 1 3.577 0.002 . 1 . . 893 . A 249 GLU HA . 34030 1 1035 . 1 1 89 89 GLU HB2 H 1 2.025 0.020 . 2 . . 895 . A 249 GLU HB2 . 34030 1 1036 . 1 1 89 89 GLU HB3 H 1 1.953 0.014 . 2 . . 896 . A 249 GLU HB3 . 34030 1 1037 . 1 1 89 89 GLU HG2 H 1 2.567 0.005 . 2 . . 898 . A 249 GLU HG2 . 34030 1 1038 . 1 1 89 89 GLU HG3 H 1 2.219 0.003 . 2 . . 899 . A 249 GLU HG3 . 34030 1 1039 . 1 1 89 89 GLU CA C 13 59.726 0.045 . 1 . . 892 . A 249 GLU CA . 34030 1 1040 . 1 1 89 89 GLU CB C 13 29.226 0.088 . 1 . . 894 . A 249 GLU CB . 34030 1 1041 . 1 1 89 89 GLU CG C 13 37.070 0.046 . 1 . . 897 . A 249 GLU CG . 34030 1 1042 . 1 1 89 89 GLU N N 15 116.654 0.044 . 1 . . 890 . A 249 GLU N . 34030 1 1043 . 1 1 90 90 MET H H 1 7.830 0.011 . 1 . . 901 . A 250 MET H . 34030 1 1044 . 1 1 90 90 MET HA H 1 4.178 0.022 . 1 . . 903 . A 250 MET HA . 34030 1 1045 . 1 1 90 90 MET HB2 H 1 2.123 0.001 . 2 . . 905 . A 250 MET HB2 . 34030 1 1046 . 1 1 90 90 MET HB3 H 1 1.948 0.020 . 2 . . 906 . A 250 MET HB3 . 34030 1 1047 . 1 1 90 90 MET HG2 H 1 2.370 0.002 . 2 . . 908 . A 250 MET HG2 . 34030 1 1048 . 1 1 90 90 MET HG3 H 1 2.427 0.006 . 2 . . 909 . A 250 MET HG3 . 34030 1 1049 . 1 1 90 90 MET HE1 H 1 1.943 0.020 . 1 . . 910 . A 250 MET HE1 . 34030 1 1050 . 1 1 90 90 MET HE2 H 1 1.943 0.020 . 1 . . 910 . A 250 MET HE2 . 34030 1 1051 . 1 1 90 90 MET HE3 H 1 1.943 0.020 . 1 . . 910 . A 250 MET HE3 . 34030 1 1052 . 1 1 90 90 MET CA C 13 58.311 0.124 . 1 . . 902 . A 250 MET CA . 34030 1 1053 . 1 1 90 90 MET CB C 13 32.230 0.064 . 1 . . 904 . A 250 MET CB . 34030 1 1054 . 1 1 90 90 MET CG C 13 32.074 0.018 . 1 . . 907 . A 250 MET CG . 34030 1 1055 . 1 1 90 90 MET CE C 13 17.137 0.200 . 1 . . 911 . A 250 MET CE . 34030 1 1056 . 1 1 90 90 MET N N 15 119.620 0.036 . 1 . . 900 . A 250 MET N . 34030 1 1057 . 1 1 91 91 VAL H H 1 8.546 0.017 . 1 . . 913 . A 251 VAL H . 34030 1 1058 . 1 1 91 91 VAL HA H 1 3.239 0.009 . 1 . . 915 . A 251 VAL HA . 34030 1 1059 . 1 1 91 91 VAL HB H 1 1.974 0.008 . 1 . . 917 . A 251 VAL HB . 34030 1 1060 . 1 1 91 91 VAL HG11 H 1 0.726 0.001 . 2 . . 918 . A 251 VAL HG11 . 34030 1 1061 . 1 1 91 91 VAL HG12 H 1 0.726 0.001 . 2 . . 918 . A 251 VAL HG12 . 34030 1 1062 . 1 1 91 91 VAL HG13 H 1 0.726 0.001 . 2 . . 918 . A 251 VAL HG13 . 34030 1 1063 . 1 1 91 91 VAL HG21 H 1 0.576 0.015 . 2 . . 919 . A 251 VAL HG21 . 34030 1 1064 . 1 1 91 91 VAL HG22 H 1 0.576 0.015 . 2 . . 919 . A 251 VAL HG22 . 34030 1 1065 . 1 1 91 91 VAL HG23 H 1 0.576 0.015 . 2 . . 919 . A 251 VAL HG23 . 34030 1 1066 . 1 1 91 91 VAL CA C 13 67.947 0.115 . 1 . . 914 . A 251 VAL CA . 34030 1 1067 . 1 1 91 91 VAL CB C 13 31.204 0.191 . 1 . . 916 . A 251 VAL CB . 34030 1 1068 . 1 1 91 91 VAL CG1 C 13 21.984 0.102 . 2 . . 920 . A 251 VAL CG1 . 34030 1 1069 . 1 1 91 91 VAL CG2 C 13 23.593 0.040 . 2 . . 921 . A 251 VAL CG2 . 34030 1 1070 . 1 1 91 91 VAL N N 15 120.234 0.040 . 1 . . 912 . A 251 VAL N . 34030 1 1071 . 1 1 92 92 LEU H H 1 8.281 0.015 . 1 . . 923 . A 252 LEU H . 34030 1 1072 . 1 1 92 92 LEU HA H 1 3.659 0.030 . 1 . . 925 . A 252 LEU HA . 34030 1 1073 . 1 1 92 92 LEU HB2 H 1 1.403 0.015 . 2 . . 927 . A 252 LEU HB2 . 34030 1 1074 . 1 1 92 92 LEU HB3 H 1 1.134 0.011 . 2 . . 928 . A 252 LEU HB3 . 34030 1 1075 . 1 1 92 92 LEU HG H 1 1.265 0.008 . 1 . . 930 . A 252 LEU HG . 34030 1 1076 . 1 1 92 92 LEU HD11 H 1 0.650 0.004 . 2 . . 931 . A 252 LEU HD11 . 34030 1 1077 . 1 1 92 92 LEU HD12 H 1 0.650 0.004 . 2 . . 931 . A 252 LEU HD12 . 34030 1 1078 . 1 1 92 92 LEU HD13 H 1 0.650 0.004 . 2 . . 931 . A 252 LEU HD13 . 34030 1 1079 . 1 1 92 92 LEU HD21 H 1 0.653 0.020 . 2 . . 932 . A 252 LEU HD21 . 34030 1 1080 . 1 1 92 92 LEU HD22 H 1 0.653 0.020 . 2 . . 932 . A 252 LEU HD22 . 34030 1 1081 . 1 1 92 92 LEU HD23 H 1 0.653 0.020 . 2 . . 932 . A 252 LEU HD23 . 34030 1 1082 . 1 1 92 92 LEU CA C 13 58.672 0.084 . 1 . . 924 . A 252 LEU CA . 34030 1 1083 . 1 1 92 92 LEU CB C 13 41.326 0.064 . 1 . . 926 . A 252 LEU CB . 34030 1 1084 . 1 1 92 92 LEU CG C 13 26.835 0.126 . 1 . . 929 . A 252 LEU CG . 34030 1 1085 . 1 1 92 92 LEU CD1 C 13 24.666 0.036 . 2 . . 933 . A 252 LEU CD1 . 34030 1 1086 . 1 1 92 92 LEU CD2 C 13 24.910 0.037 . 2 . . 934 . A 252 LEU CD2 . 34030 1 1087 . 1 1 92 92 LEU N N 15 120.674 0.022 . 1 . . 922 . A 252 LEU N . 34030 1 1088 . 1 1 93 93 ASP H H 1 7.472 0.020 . 1 . . 936 . A 253 ASP H . 34030 1 1089 . 1 1 93 93 ASP HA H 1 4.234 0.030 . 1 . . 938 . A 253 ASP HA . 34030 1 1090 . 1 1 93 93 ASP HB2 H 1 2.701 0.037 . 1 . . 1456 . A 253 ASP HB2 . 34030 1 1091 . 1 1 93 93 ASP HB3 H 1 2.701 0.037 . 1 . . 940 . A 253 ASP HB3 . 34030 1 1092 . 1 1 93 93 ASP CA C 13 57.587 0.066 . 1 . . 937 . A 253 ASP CA . 34030 1 1093 . 1 1 93 93 ASP CB C 13 41.536 0.077 . 1 . . 939 . A 253 ASP CB . 34030 1 1094 . 1 1 93 93 ASP N N 15 119.043 0.061 . 1 . . 935 . A 253 ASP N . 34030 1 1095 . 1 1 94 94 LEU H H 1 8.204 0.019 . 1 . . 942 . A 254 LEU H . 34030 1 1096 . 1 1 94 94 LEU HA H 1 3.830 0.012 . 1 . . 944 . A 254 LEU HA . 34030 1 1097 . 1 1 94 94 LEU HB2 H 1 1.780 0.020 . 2 . . 946 . A 254 LEU HB2 . 34030 1 1098 . 1 1 94 94 LEU HB3 H 1 1.131 0.005 . 2 . . 947 . A 254 LEU HB3 . 34030 1 1099 . 1 1 94 94 LEU HG H 1 1.805 0.014 . 1 . . 949 . A 254 LEU HG . 34030 1 1100 . 1 1 94 94 LEU HD11 H 1 0.593 0.008 . 2 . . 950 . A 254 LEU HD11 . 34030 1 1101 . 1 1 94 94 LEU HD12 H 1 0.593 0.008 . 2 . . 950 . A 254 LEU HD12 . 34030 1 1102 . 1 1 94 94 LEU HD13 H 1 0.593 0.008 . 2 . . 950 . A 254 LEU HD13 . 34030 1 1103 . 1 1 94 94 LEU HD21 H 1 0.819 0.010 . 2 . . 951 . A 254 LEU HD21 . 34030 1 1104 . 1 1 94 94 LEU HD22 H 1 0.819 0.010 . 2 . . 951 . A 254 LEU HD22 . 34030 1 1105 . 1 1 94 94 LEU HD23 H 1 0.819 0.010 . 2 . . 951 . A 254 LEU HD23 . 34030 1 1106 . 1 1 94 94 LEU CA C 13 58.138 0.054 . 1 . . 943 . A 254 LEU CA . 34030 1 1107 . 1 1 94 94 LEU CB C 13 42.379 0.073 . 1 . . 945 . A 254 LEU CB . 34030 1 1108 . 1 1 94 94 LEU CG C 13 27.585 0.064 . 1 . . 948 . A 254 LEU CG . 34030 1 1109 . 1 1 94 94 LEU CD1 C 13 26.136 0.037 . 2 . . 952 . A 254 LEU CD1 . 34030 1 1110 . 1 1 94 94 LEU CD2 C 13 23.154 0.210 . 2 . . 953 . A 254 LEU CD2 . 34030 1 1111 . 1 1 94 94 LEU N N 15 119.997 0.062 . 1 . . 941 . A 254 LEU N . 34030 1 1112 . 1 1 95 95 MET H H 1 8.835 0.020 . 1 . . 955 . A 255 MET H . 34030 1 1113 . 1 1 95 95 MET HA H 1 4.123 0.021 . 1 . . 957 . A 255 MET HA . 34030 1 1114 . 1 1 95 95 MET HB2 H 1 2.180 0.020 . 2 . . 959 . A 255 MET HB2 . 34030 1 1115 . 1 1 95 95 MET HB3 H 1 1.794 0.020 . 2 . . 960 . A 255 MET HB3 . 34030 1 1116 . 1 1 95 95 MET HG2 H 1 2.412 0.030 . 1 . . 1457 . A 255 MET HG2 . 34030 1 1117 . 1 1 95 95 MET HG3 H 1 2.412 0.030 . 1 . . 962 . A 255 MET HG3 . 34030 1 1118 . 1 1 95 95 MET HE1 H 1 1.801 0.008 . 1 . . 963 . A 255 MET HE1 . 34030 1 1119 . 1 1 95 95 MET HE2 H 1 1.801 0.008 . 1 . . 963 . A 255 MET HE2 . 34030 1 1120 . 1 1 95 95 MET HE3 H 1 1.801 0.008 . 1 . . 963 . A 255 MET HE3 . 34030 1 1121 . 1 1 95 95 MET CA C 13 57.671 0.036 . 1 . . 956 . A 255 MET CA . 34030 1 1122 . 1 1 95 95 MET CB C 13 30.976 0.083 . 1 . . 958 . A 255 MET CB . 34030 1 1123 . 1 1 95 95 MET CG C 13 33.398 0.072 . 1 . . 961 . A 255 MET CG . 34030 1 1124 . 1 1 95 95 MET CE C 13 16.928 0.005 . 1 . . 964 . A 255 MET CE . 34030 1 1125 . 1 1 95 95 MET N N 15 118.782 0.050 . 1 . . 954 . A 255 MET N . 34030 1 1126 . 1 1 96 96 GLN H H 1 8.035 0.024 . 1 . . 966 . A 256 GLN H . 34030 1 1127 . 1 1 96 96 GLN HA H 1 3.888 0.020 . 1 . . 968 . A 256 GLN HA . 34030 1 1128 . 1 1 96 96 GLN HB2 H 1 2.220 0.005 . 2 . . 970 . A 256 GLN HB2 . 34030 1 1129 . 1 1 96 96 GLN HB3 H 1 2.156 0.020 . 2 . . 971 . A 256 GLN HB3 . 34030 1 1130 . 1 1 96 96 GLN HG2 H 1 2.386 0.021 . 2 . . 973 . A 256 GLN HG2 . 34030 1 1131 . 1 1 96 96 GLN HG3 H 1 2.229 0.002 . 2 . . 974 . A 256 GLN HG3 . 34030 1 1132 . 1 1 96 96 GLN HE21 H 1 7.224 0.008 . 1 . . 976 . A 256 GLN HE21 . 34030 1 1133 . 1 1 96 96 GLN HE22 H 1 6.747 0.020 . 1 . . 977 . A 256 GLN HE22 . 34030 1 1134 . 1 1 96 96 GLN CA C 13 59.151 0.078 . 1 . . 967 . A 256 GLN CA . 34030 1 1135 . 1 1 96 96 GLN CB C 13 28.198 0.098 . 1 . . 969 . A 256 GLN CB . 34030 1 1136 . 1 1 96 96 GLN CG C 13 34.582 0.134 . 1 . . 972 . A 256 GLN CG . 34030 1 1137 . 1 1 96 96 GLN N N 15 120.346 0.026 . 1 . . 965 . A 256 GLN N . 34030 1 1138 . 1 1 96 96 GLN NE2 N 15 112.304 0.033 . 1 . . 975 . A 256 GLN NE2 . 34030 1 1139 . 1 1 97 97 GLN H H 1 7.883 0.022 . 1 . . 979 . A 257 GLN H . 34030 1 1140 . 1 1 97 97 GLN HA H 1 3.996 0.005 . 1 . . 981 . A 257 GLN HA . 34030 1 1141 . 1 1 97 97 GLN HB2 H 1 2.267 0.020 . 2 . . 983 . A 257 GLN HB2 . 34030 1 1142 . 1 1 97 97 GLN HB3 H 1 2.058 0.020 . 2 . . 984 . A 257 GLN HB3 . 34030 1 1143 . 1 1 97 97 GLN HG2 H 1 2.541 0.012 . 2 . . 986 . A 257 GLN HG2 . 34030 1 1144 . 1 1 97 97 GLN HG3 H 1 2.211 0.010 . 2 . . 987 . A 257 GLN HG3 . 34030 1 1145 . 1 1 97 97 GLN HE21 H 1 7.191 0.011 . 1 . . 989 . A 257 GLN HE21 . 34030 1 1146 . 1 1 97 97 GLN HE22 H 1 6.462 0.004 . 1 . . 990 . A 257 GLN HE22 . 34030 1 1147 . 1 1 97 97 GLN CA C 13 59.284 0.058 . 1 . . 980 . A 257 GLN CA . 34030 1 1148 . 1 1 97 97 GLN CB C 13 28.576 0.208 . 1 . . 982 . A 257 GLN CB . 34030 1 1149 . 1 1 97 97 GLN CG C 13 34.372 0.096 . 1 . . 985 . A 257 GLN CG . 34030 1 1150 . 1 1 97 97 GLN N N 15 119.497 0.079 . 1 . . 978 . A 257 GLN N . 34030 1 1151 . 1 1 97 97 GLN NE2 N 15 111.735 0.015 . 1 . . 988 . A 257 GLN NE2 . 34030 1 1152 . 1 1 98 98 LEU H H 1 8.346 0.013 . 1 . . 992 . A 258 LEU H . 34030 1 1153 . 1 1 98 98 LEU HA H 1 3.955 0.025 . 1 . . 994 . A 258 LEU HA . 34030 1 1154 . 1 1 98 98 LEU HB2 H 1 1.890 0.020 . 2 . . 996 . A 258 LEU HB2 . 34030 1 1155 . 1 1 98 98 LEU HB3 H 1 1.671 0.020 . 2 . . 997 . A 258 LEU HB3 . 34030 1 1156 . 1 1 98 98 LEU HG H 1 1.675 0.020 . 1 . . 999 . A 258 LEU HG . 34030 1 1157 . 1 1 98 98 LEU HD11 H 1 0.874 0.004 . 2 . . 1000 . A 258 LEU HD11 . 34030 1 1158 . 1 1 98 98 LEU HD12 H 1 0.874 0.004 . 2 . . 1000 . A 258 LEU HD12 . 34030 1 1159 . 1 1 98 98 LEU HD13 H 1 0.874 0.004 . 2 . . 1000 . A 258 LEU HD13 . 34030 1 1160 . 1 1 98 98 LEU HD21 H 1 0.792 0.020 . 2 . . 1001 . A 258 LEU HD21 . 34030 1 1161 . 1 1 98 98 LEU HD22 H 1 0.792 0.020 . 2 . . 1001 . A 258 LEU HD22 . 34030 1 1162 . 1 1 98 98 LEU HD23 H 1 0.792 0.020 . 2 . . 1001 . A 258 LEU HD23 . 34030 1 1163 . 1 1 98 98 LEU CA C 13 57.892 0.200 . 1 . . 993 . A 258 LEU CA . 34030 1 1164 . 1 1 98 98 LEU CB C 13 41.624 0.054 . 1 . . 995 . A 258 LEU CB . 34030 1 1165 . 1 1 98 98 LEU CG C 13 26.767 0.200 . 1 . . 998 . A 258 LEU CG . 34030 1 1166 . 1 1 98 98 LEU CD1 C 13 25.219 0.042 . 2 . . 1002 . A 258 LEU CD1 . 34030 1 1167 . 1 1 98 98 LEU CD2 C 13 25.990 0.158 . 2 . . 1003 . A 258 LEU CD2 . 34030 1 1168 . 1 1 98 98 LEU N N 15 119.239 0.058 . 1 . . 991 . A 258 LEU N . 34030 1 1169 . 1 1 99 99 GLN H H 1 8.109 0.012 . 1 . . 1005 . A 259 GLN H . 34030 1 1170 . 1 1 99 99 GLN HA H 1 3.903 0.011 . 1 . . 1007 . A 259 GLN HA . 34030 1 1171 . 1 1 99 99 GLN HB2 H 1 2.120 0.020 . 2 . . 1009 . A 259 GLN HB2 . 34030 1 1172 . 1 1 99 99 GLN HB3 H 1 2.062 0.005 . 2 . . 1010 . A 259 GLN HB3 . 34030 1 1173 . 1 1 99 99 GLN HG2 H 1 2.311 0.007 . 1 . . 1458 . A 259 GLN HG2 . 34030 1 1174 . 1 1 99 99 GLN HG3 H 1 2.311 0.007 . 1 . . 1012 . A 259 GLN HG3 . 34030 1 1175 . 1 1 99 99 GLN HE21 H 1 7.271 0.020 . 1 . . 1014 . A 259 GLN HE21 . 34030 1 1176 . 1 1 99 99 GLN HE22 H 1 6.771 0.001 . 1 . . 1015 . A 259 GLN HE22 . 34030 1 1177 . 1 1 99 99 GLN CA C 13 59.030 0.207 . 1 . . 1006 . A 259 GLN CA . 34030 1 1178 . 1 1 99 99 GLN CB C 13 28.583 0.166 . 1 . . 1008 . A 259 GLN CB . 34030 1 1179 . 1 1 99 99 GLN CG C 13 34.254 0.006 . 1 . . 1011 . A 259 GLN CG . 34030 1 1180 . 1 1 99 99 GLN N N 15 118.760 0.017 . 1 . . 1004 . A 259 GLN N . 34030 1 1181 . 1 1 99 99 GLN NE2 N 15 110.215 0.010 . 1 . . 1013 . A 259 GLN NE2 . 34030 1 1182 . 1 1 100 100 ASP H H 1 7.582 0.007 . 1 . . 1017 . A 260 ASP H . 34030 1 1183 . 1 1 100 100 ASP HA H 1 4.492 0.020 . 1 . . 1019 . A 260 ASP HA . 34030 1 1184 . 1 1 100 100 ASP HB2 H 1 2.652 0.020 . 1 . . 1459 . A 260 ASP HB2 . 34030 1 1185 . 1 1 100 100 ASP HB3 H 1 2.652 0.020 . 1 . . 1021 . A 260 ASP HB3 . 34030 1 1186 . 1 1 100 100 ASP CA C 13 56.110 0.024 . 1 . . 1018 . A 260 ASP CA . 34030 1 1187 . 1 1 100 100 ASP CB C 13 41.003 0.040 . 1 . . 1020 . A 260 ASP CB . 34030 1 1188 . 1 1 100 100 ASP N N 15 118.245 0.032 . 1 . . 1016 . A 260 ASP N . 34030 1 1189 . 1 1 101 101 LEU H H 1 7.492 0.006 . 1 . . 1023 . A 261 LEU H . 34030 1 1190 . 1 1 101 101 LEU HA H 1 4.221 0.019 . 1 . . 1025 . A 261 LEU HA . 34030 1 1191 . 1 1 101 101 LEU HB2 H 1 1.985 0.020 . 2 . . 1027 . A 261 LEU HB2 . 34030 1 1192 . 1 1 101 101 LEU HB3 H 1 1.572 0.018 . 2 . . 1028 . A 261 LEU HB3 . 34030 1 1193 . 1 1 101 101 LEU HG H 1 1.802 0.005 . 1 . . 1030 . A 261 LEU HG . 34030 1 1194 . 1 1 101 101 LEU HD11 H 1 0.771 0.020 . 2 . . 1031 . A 261 LEU HD11 . 34030 1 1195 . 1 1 101 101 LEU HD12 H 1 0.771 0.020 . 2 . . 1031 . A 261 LEU HD12 . 34030 1 1196 . 1 1 101 101 LEU HD13 H 1 0.771 0.020 . 2 . . 1031 . A 261 LEU HD13 . 34030 1 1197 . 1 1 101 101 LEU HD21 H 1 0.843 0.009 . 2 . . 1032 . A 261 LEU HD21 . 34030 1 1198 . 1 1 101 101 LEU HD22 H 1 0.843 0.009 . 2 . . 1032 . A 261 LEU HD22 . 34030 1 1199 . 1 1 101 101 LEU HD23 H 1 0.843 0.009 . 2 . . 1032 . A 261 LEU HD23 . 34030 1 1200 . 1 1 101 101 LEU CA C 13 55.326 0.100 . 1 . . 1024 . A 261 LEU CA . 34030 1 1201 . 1 1 101 101 LEU CB C 13 43.250 0.091 . 1 . . 1026 . A 261 LEU CB . 34030 1 1202 . 1 1 101 101 LEU CG C 13 26.770 0.004 . 1 . . 1029 . A 261 LEU CG . 34030 1 1203 . 1 1 101 101 LEU CD1 C 13 25.954 0.063 . 2 . . 1033 . A 261 LEU CD1 . 34030 1 1204 . 1 1 101 101 LEU CD2 C 13 22.872 0.019 . 2 . . 1034 . A 261 LEU CD2 . 34030 1 1205 . 1 1 101 101 LEU N N 15 119.230 0.024 . 1 . . 1022 . A 261 LEU N . 34030 1 1206 . 1 1 102 102 GLY H H 1 7.422 0.001 . 1 . . 1036 . A 262 GLY H . 34030 1 1207 . 1 1 102 102 GLY HA2 H 1 3.578 0.020 . 2 . . 1038 . A 262 GLY HA2 . 34030 1 1208 . 1 1 102 102 GLY HA3 H 1 4.038 0.020 . 2 . . 1039 . A 262 GLY HA3 . 34030 1 1209 . 1 1 102 102 GLY CA C 13 44.736 0.030 . 1 . . 1037 . A 262 GLY CA . 34030 1 1210 . 1 1 102 102 GLY N N 15 106.493 0.060 . 1 . . 1035 . A 262 GLY N . 34030 1 1211 . 1 1 103 103 HIS H H 1 8.225 0.004 . 1 . . 1041 . A 263 HIS H . 34030 1 1212 . 1 1 103 103 HIS HA H 1 4.654 0.003 . 1 . . 1042 . A 263 HIS HA . 34030 1 1213 . 1 1 103 103 HIS HB2 H 1 3.125 0.005 . 2 . . 1044 . A 263 HIS HB2 . 34030 1 1214 . 1 1 103 103 HIS HB3 H 1 2.917 0.015 . 2 . . 1045 . A 263 HIS HB3 . 34030 1 1215 . 1 1 103 103 HIS HD2 H 1 7.131 0.012 . 1 . . 1048 . A 263 HIS HD2 . 34030 1 1216 . 1 1 103 103 HIS HE1 H 1 8.161 0.022 . 1 . . 1049 . A 263 HIS HE1 . 34030 1 1217 . 1 1 103 103 HIS CB C 13 29.124 0.038 . 1 . . 1043 . A 263 HIS CB . 34030 1 1218 . 1 1 103 103 HIS CD2 C 13 120.233 0.104 . 1 . . 1046 . A 263 HIS CD2 . 34030 1 1219 . 1 1 103 103 HIS CE1 C 13 137.562 0.200 . 1 . . 1047 . A 263 HIS CE1 . 34030 1 1220 . 1 1 103 103 HIS N N 15 116.465 0.028 . 1 . . 1040 . A 263 HIS N . 34030 1 1221 . 1 1 104 104 PRO HA H 1 5.207 0.015 . 1 . . 1052 . A 264 PRO HA . 34030 1 1222 . 1 1 104 104 PRO HB2 H 1 1.994 0.004 . 2 . . 1054 . A 264 PRO HB2 . 34030 1 1223 . 1 1 104 104 PRO HB3 H 1 1.295 0.009 . 2 . . 1055 . A 264 PRO HB3 . 34030 1 1224 . 1 1 104 104 PRO HG2 H 1 1.685 0.003 . 2 . . 1057 . A 264 PRO HG2 . 34030 1 1225 . 1 1 104 104 PRO HG3 H 1 1.580 0.006 . 2 . . 1058 . A 264 PRO HG3 . 34030 1 1226 . 1 1 104 104 PRO HD2 H 1 3.349 0.008 . 2 . . 1059 . A 264 PRO HD2 . 34030 1 1227 . 1 1 104 104 PRO HD3 H 1 3.710 0.011 . 2 . . 1060 . A 264 PRO HD3 . 34030 1 1228 . 1 1 104 104 PRO CA C 13 61.675 0.029 . 1 . . 1051 . A 264 PRO CA . 34030 1 1229 . 1 1 104 104 PRO CB C 13 29.596 0.066 . 1 . . 1053 . A 264 PRO CB . 34030 1 1230 . 1 1 104 104 PRO CG C 13 27.194 0.037 . 1 . . 1056 . A 264 PRO CG . 34030 1 1231 . 1 1 104 104 PRO CD C 13 50.344 0.086 . 1 . . 1050 . A 264 PRO CD . 34030 1 1232 . 1 1 105 105 PRO HA H 1 3.956 0.008 . 1 . . 1063 . A 265 PRO HA . 34030 1 1233 . 1 1 105 105 PRO HB2 H 1 0.470 0.004 . 2 . . 1065 . A 265 PRO HB2 . 34030 1 1234 . 1 1 105 105 PRO HB3 H 1 1.353 0.004 . 2 . . 1066 . A 265 PRO HB3 . 34030 1 1235 . 1 1 105 105 PRO HG2 H 1 -0.272 0.001 . 2 . . 1068 . A 265 PRO HG2 . 34030 1 1236 . 1 1 105 105 PRO HG3 H 1 -0.351 0.019 . 2 . . 1069 . A 265 PRO HG3 . 34030 1 1237 . 1 1 105 105 PRO HD2 H 1 3.195 0.012 . 2 . . 1070 . A 265 PRO HD2 . 34030 1 1238 . 1 1 105 105 PRO HD3 H 1 2.338 0.003 . 2 . . 1071 . A 265 PRO HD3 . 34030 1 1239 . 1 1 105 105 PRO CA C 13 62.627 0.029 . 1 . . 1062 . A 265 PRO CA . 34030 1 1240 . 1 1 105 105 PRO CB C 13 31.475 0.070 . 1 . . 1064 . A 265 PRO CB . 34030 1 1241 . 1 1 105 105 PRO CG C 13 26.390 0.057 . 1 . . 1067 . A 265 PRO CG . 34030 1 1242 . 1 1 105 105 PRO CD C 13 49.980 0.046 . 1 . . 1061 . A 265 PRO CD . 34030 1 1243 . 1 1 106 106 LYS H H 1 8.601 0.006 . 1 . . 1073 . A 266 LYS H . 34030 1 1244 . 1 1 106 106 LYS HA H 1 3.763 0.019 . 1 . . 1075 . A 266 LYS HA . 34030 1 1245 . 1 1 106 106 LYS HB2 H 1 1.732 0.006 . 2 . . 1077 . A 266 LYS HB2 . 34030 1 1246 . 1 1 106 106 LYS HB3 H 1 1.651 0.020 . 2 . . 1078 . A 266 LYS HB3 . 34030 1 1247 . 1 1 106 106 LYS HG2 H 1 1.310 0.006 . 1 . . 1462 . A 266 LYS HG2 . 34030 1 1248 . 1 1 106 106 LYS HG3 H 1 1.310 0.006 . 1 . . 1080 . A 266 LYS HG3 . 34030 1 1249 . 1 1 106 106 LYS HD2 H 1 1.562 0.020 . 1 . . 1460 . A 266 LYS HD2 . 34030 1 1250 . 1 1 106 106 LYS HD3 H 1 1.562 0.020 . 1 . . 1082 . A 266 LYS HD3 . 34030 1 1251 . 1 1 106 106 LYS HE2 H 1 2.863 0.008 . 1 . . 1461 . A 266 LYS HE2 . 34030 1 1252 . 1 1 106 106 LYS HE3 H 1 2.863 0.008 . 1 . . 1084 . A 266 LYS HE3 . 34030 1 1253 . 1 1 106 106 LYS CA C 13 59.334 0.063 . 1 . . 1074 . A 266 LYS CA . 34030 1 1254 . 1 1 106 106 LYS CB C 13 32.216 0.086 . 1 . . 1076 . A 266 LYS CB . 34030 1 1255 . 1 1 106 106 LYS CG C 13 24.677 0.087 . 1 . . 1079 . A 266 LYS CG . 34030 1 1256 . 1 1 106 106 LYS CD C 13 29.288 0.076 . 1 . . 1081 . A 266 LYS CD . 34030 1 1257 . 1 1 106 106 LYS CE C 13 42.177 0.200 . 1 . . 1083 . A 266 LYS CE . 34030 1 1258 . 1 1 106 106 LYS N N 15 126.685 0.056 . 1 . . 1072 . A 266 LYS N . 34030 1 1259 . 1 1 107 107 GLU H H 1 9.011 0.013 . 1 . . 1086 . A 267 GLU H . 34030 1 1260 . 1 1 107 107 GLU HA H 1 3.891 0.020 . 1 . . 1088 . A 267 GLU HA . 34030 1 1261 . 1 1 107 107 GLU HB2 H 1 1.914 0.006 . 2 . . 1090 . A 267 GLU HB2 . 34030 1 1262 . 1 1 107 107 GLU HB3 H 1 1.799 0.015 . 2 . . 1091 . A 267 GLU HB3 . 34030 1 1263 . 1 1 107 107 GLU HG2 H 1 2.285 0.023 . 1 . . 1463 . A 267 GLU HG2 . 34030 1 1264 . 1 1 107 107 GLU HG3 H 1 2.285 0.023 . 1 . . 1093 . A 267 GLU HG3 . 34030 1 1265 . 1 1 107 107 GLU CA C 13 58.853 0.211 . 1 . . 1087 . A 267 GLU CA . 34030 1 1266 . 1 1 107 107 GLU CB C 13 29.444 0.037 . 1 . . 1089 . A 267 GLU CB . 34030 1 1267 . 1 1 107 107 GLU CG C 13 37.020 0.023 . 1 . . 1092 . A 267 GLU CG . 34030 1 1268 . 1 1 107 107 GLU N N 15 116.313 0.029 . 1 . . 1085 . A 267 GLU N . 34030 1 1269 . 1 1 108 108 LEU H H 1 6.885 0.016 . 1 . . 1095 . A 268 LEU H . 34030 1 1270 . 1 1 108 108 LEU HA H 1 3.991 0.003 . 1 . . 1097 . A 268 LEU HA . 34030 1 1271 . 1 1 108 108 LEU HB2 H 1 0.908 0.019 . 2 . . 1099 . A 268 LEU HB2 . 34030 1 1272 . 1 1 108 108 LEU HB3 H 1 0.762 0.028 . 2 . . 1100 . A 268 LEU HB3 . 34030 1 1273 . 1 1 108 108 LEU HG H 1 0.391 0.018 . 1 . . 1102 . A 268 LEU HG . 34030 1 1274 . 1 1 108 108 LEU HD11 H 1 -0.413 0.003 . 2 . . 1103 . A 268 LEU HD11 . 34030 1 1275 . 1 1 108 108 LEU HD12 H 1 -0.413 0.003 . 2 . . 1103 . A 268 LEU HD12 . 34030 1 1276 . 1 1 108 108 LEU HD13 H 1 -0.413 0.003 . 2 . . 1103 . A 268 LEU HD13 . 34030 1 1277 . 1 1 108 108 LEU HD21 H 1 0.191 0.009 . 2 . . 1104 . A 268 LEU HD21 . 34030 1 1278 . 1 1 108 108 LEU HD22 H 1 0.191 0.009 . 2 . . 1104 . A 268 LEU HD22 . 34030 1 1279 . 1 1 108 108 LEU HD23 H 1 0.191 0.009 . 2 . . 1104 . A 268 LEU HD23 . 34030 1 1280 . 1 1 108 108 LEU CA C 13 54.912 0.069 . 1 . . 1096 . A 268 LEU CA . 34030 1 1281 . 1 1 108 108 LEU CB C 13 42.320 0.057 . 1 . . 1098 . A 268 LEU CB . 34030 1 1282 . 1 1 108 108 LEU CG C 13 26.742 0.060 . 1 . . 1101 . A 268 LEU CG . 34030 1 1283 . 1 1 108 108 LEU CD1 C 13 24.320 0.089 . 2 . . 1105 . A 268 LEU CD1 . 34030 1 1284 . 1 1 108 108 LEU CD2 C 13 22.959 0.063 . 2 . . 1106 . A 268 LEU CD2 . 34030 1 1285 . 1 1 108 108 LEU N N 15 115.764 0.069 . 1 . . 1094 . A 268 LEU N . 34030 1 1286 . 1 1 109 109 ALA H H 1 7.299 0.011 . 1 . . 1108 . A 269 ALA H . 34030 1 1287 . 1 1 109 109 ALA HA H 1 3.941 0.020 . 1 . . 1110 . A 269 ALA HA . 34030 1 1288 . 1 1 109 109 ALA HB1 H 1 1.068 0.009 . 1 . . 1111 . A 269 ALA HB1 . 34030 1 1289 . 1 1 109 109 ALA HB2 H 1 1.068 0.009 . 1 . . 1111 . A 269 ALA HB2 . 34030 1 1290 . 1 1 109 109 ALA HB3 H 1 1.068 0.009 . 1 . . 1111 . A 269 ALA HB3 . 34030 1 1291 . 1 1 109 109 ALA CA C 13 52.978 0.155 . 1 . . 1109 . A 269 ALA CA . 34030 1 1292 . 1 1 109 109 ALA CB C 13 19.673 0.012 . 1 . . 1112 . A 269 ALA CB . 34030 1 1293 . 1 1 109 109 ALA N N 15 119.804 0.068 . 1 . . 1107 . A 269 ALA N . 34030 1 1294 . 1 1 110 110 GLY H H 1 7.973 0.015 . 1 . . 1114 . A 270 GLY H . 34030 1 1295 . 1 1 110 110 GLY HA2 H 1 3.825 0.020 . 2 . . 1116 . A 270 GLY HA2 . 34030 1 1296 . 1 1 110 110 GLY HA3 H 1 3.719 0.007 . 2 . . 1117 . A 270 GLY HA3 . 34030 1 1297 . 1 1 110 110 GLY CA C 13 45.497 0.065 . 1 . . 1115 . A 270 GLY CA . 34030 1 1298 . 1 1 110 110 GLY N N 15 106.300 0.036 . 1 . . 1113 . A 270 GLY N . 34030 1 1299 . 1 1 111 111 GLU H H 1 7.905 0.017 . 1 . . 1119 . A 271 GLU H . 34030 1 1300 . 1 1 111 111 GLU HA H 1 4.223 0.023 . 1 . . 1121 . A 271 GLU HA . 34030 1 1301 . 1 1 111 111 GLU HB2 H 1 1.956 0.020 . 2 . . 1123 . A 271 GLU HB2 . 34030 1 1302 . 1 1 111 111 GLU HB3 H 1 1.715 0.004 . 2 . . 1124 . A 271 GLU HB3 . 34030 1 1303 . 1 1 111 111 GLU HG2 H 1 2.116 0.002 . 2 . . 1126 . A 271 GLU HG2 . 34030 1 1304 . 1 1 111 111 GLU HG3 H 1 2.081 0.020 . 2 . . 1127 . A 271 GLU HG3 . 34030 1 1305 . 1 1 111 111 GLU CA C 13 55.638 0.035 . 1 . . 1120 . A 271 GLU CA . 34030 1 1306 . 1 1 111 111 GLU CB C 13 30.398 0.132 . 1 . . 1122 . A 271 GLU CB . 34030 1 1307 . 1 1 111 111 GLU CG C 13 36.085 0.055 . 1 . . 1125 . A 271 GLU CG . 34030 1 1308 . 1 1 111 111 GLU N N 15 119.059 0.064 . 1 . . 1118 . A 271 GLU N . 34030 1 1309 . 1 1 112 112 MET H H 1 8.036 0.005 . 1 . . 1129 . A 272 MET H . 34030 1 1310 . 1 1 112 112 MET HA H 1 4.541 0.018 . 1 . . 1131 . A 272 MET HA . 34030 1 1311 . 1 1 112 112 MET HB2 H 1 1.827 0.020 . 1 . . 1133 . A 272 MET HB2 . 34030 1 1312 . 1 1 112 112 MET HB3 H 1 1.827 0.020 . 1 . . 1464 . A 272 MET HB3 . 34030 1 1313 . 1 1 112 112 MET HG2 H 1 2.480 0.002 . 2 . . 1135 . A 272 MET HG2 . 34030 1 1314 . 1 1 112 112 MET HG3 H 1 2.385 0.004 . 2 . . 1136 . A 272 MET HG3 . 34030 1 1315 . 1 1 112 112 MET HE1 H 1 1.848 0.007 . 1 . . 1137 . A 272 MET HE1 . 34030 1 1316 . 1 1 112 112 MET HE2 H 1 1.848 0.007 . 1 . . 1137 . A 272 MET HE2 . 34030 1 1317 . 1 1 112 112 MET HE3 H 1 1.848 0.007 . 1 . . 1137 . A 272 MET HE3 . 34030 1 1318 . 1 1 112 112 MET CA C 13 53.291 0.012 . 1 . . 1130 . A 272 MET CA . 34030 1 1319 . 1 1 112 112 MET CB C 13 32.485 0.143 . 1 . . 1132 . A 272 MET CB . 34030 1 1320 . 1 1 112 112 MET CG C 13 32.572 0.004 . 1 . . 1134 . A 272 MET CG . 34030 1 1321 . 1 1 112 112 MET CE C 13 17.639 0.015 . 1 . . 1138 . A 272 MET CE . 34030 1 1322 . 1 1 112 112 MET N N 15 121.781 0.056 . 1 . . 1128 . A 272 MET N . 34030 1 1323 . 1 1 113 113 PRO HA H 1 4.578 0.016 . 1 . . 1141 . A 273 PRO HA . 34030 1 1324 . 1 1 113 113 PRO HB2 H 1 2.247 0.020 . 2 . . 1143 . A 273 PRO HB2 . 34030 1 1325 . 1 1 113 113 PRO HB3 H 1 1.720 0.020 . 2 . . 1144 . A 273 PRO HB3 . 34030 1 1326 . 1 1 113 113 PRO HG2 H 1 1.892 0.020 . 1 . . 1146 . A 273 PRO HG2 . 34030 1 1327 . 1 1 113 113 PRO HG3 H 1 1.892 0.020 . 1 . . 1465 . A 273 PRO HG3 . 34030 1 1328 . 1 1 113 113 PRO HD2 H 1 3.760 0.006 . 2 . . 1147 . A 273 PRO HD2 . 34030 1 1329 . 1 1 113 113 PRO HD3 H 1 3.413 0.014 . 2 . . 1148 . A 273 PRO HD3 . 34030 1 1330 . 1 1 113 113 PRO CA C 13 61.570 0.080 . 1 . . 1140 . A 273 PRO CA . 34030 1 1331 . 1 1 113 113 PRO CB C 13 30.921 0.002 . 1 . . 1142 . A 273 PRO CB . 34030 1 1332 . 1 1 113 113 PRO CG C 13 27.728 0.200 . 1 . . 1145 . A 273 PRO CG . 34030 1 1333 . 1 1 113 113 PRO CD C 13 51.361 0.076 . 1 . . 1139 . A 273 PRO CD . 34030 1 1334 . 1 1 114 114 PRO HA H 1 4.232 0.001 . 1 . . 1151 . A 274 PRO HA . 34030 1 1335 . 1 1 114 114 PRO HB2 H 1 1.787 0.020 . 2 . . 1153 . A 274 PRO HB2 . 34030 1 1336 . 1 1 114 114 PRO HB3 H 1 2.181 0.012 . 2 . . 1154 . A 274 PRO HB3 . 34030 1 1337 . 1 1 114 114 PRO HG2 H 1 1.927 0.004 . 1 . . 1156 . A 274 PRO HG2 . 34030 1 1338 . 1 1 114 114 PRO HG3 H 1 1.927 0.004 . 1 . . 1466 . A 274 PRO HG3 . 34030 1 1339 . 1 1 114 114 PRO HD2 H 1 3.718 0.004 . 2 . . 1157 . A 274 PRO HD2 . 34030 1 1340 . 1 1 114 114 PRO HD3 H 1 3.538 0.010 . 2 . . 1158 . A 274 PRO HD3 . 34030 1 1341 . 1 1 114 114 PRO CA C 13 63.765 0.049 . 1 . . 1150 . A 274 PRO CA . 34030 1 1342 . 1 1 114 114 PRO CB C 13 31.938 0.024 . 1 . . 1152 . A 274 PRO CB . 34030 1 1343 . 1 1 114 114 PRO CG C 13 27.528 0.033 . 1 . . 1155 . A 274 PRO CG . 34030 1 1344 . 1 1 114 114 PRO CD C 13 50.530 0.020 . 1 . . 1149 . A 274 PRO CD . 34030 1 1345 . 1 1 115 115 GLY H H 1 8.419 0.007 . 1 . . 1160 . A 275 GLY H . 34030 1 1346 . 1 1 115 115 GLY HA2 H 1 3.662 0.020 . 2 . . 1162 . A 275 GLY HA2 . 34030 1 1347 . 1 1 115 115 GLY HA3 H 1 3.863 0.020 . 2 . . 1163 . A 275 GLY HA3 . 34030 1 1348 . 1 1 115 115 GLY CA C 13 45.569 0.081 . 1 . . 1161 . A 275 GLY CA . 34030 1 1349 . 1 1 115 115 GLY N N 15 108.076 0.051 . 1 . . 1159 . A 275 GLY N . 34030 1 1350 . 1 1 116 116 LEU H H 1 7.543 0.010 . 1 . . 1165 . A 276 LEU H . 34030 1 1351 . 1 1 116 116 LEU HA H 1 4.211 0.011 . 1 . . 1167 . A 276 LEU HA . 34030 1 1352 . 1 1 116 116 LEU HB2 H 1 1.398 0.019 . 1 . . 1467 . A 276 LEU HB2 . 34030 1 1353 . 1 1 116 116 LEU HB3 H 1 1.398 0.019 . 1 . . 1169 . A 276 LEU HB3 . 34030 1 1354 . 1 1 116 116 LEU HG H 1 1.407 0.002 . 1 . . 1171 . A 276 LEU HG . 34030 1 1355 . 1 1 116 116 LEU HD11 H 1 0.748 0.007 . 2 . . 1172 . A 276 LEU HD11 . 34030 1 1356 . 1 1 116 116 LEU HD12 H 1 0.748 0.007 . 2 . . 1172 . A 276 LEU HD12 . 34030 1 1357 . 1 1 116 116 LEU HD13 H 1 0.748 0.007 . 2 . . 1172 . A 276 LEU HD13 . 34030 1 1358 . 1 1 116 116 LEU HD21 H 1 0.734 0.018 . 2 . . 1173 . A 276 LEU HD21 . 34030 1 1359 . 1 1 116 116 LEU HD22 H 1 0.734 0.018 . 2 . . 1173 . A 276 LEU HD22 . 34030 1 1360 . 1 1 116 116 LEU HD23 H 1 0.734 0.018 . 2 . . 1173 . A 276 LEU HD23 . 34030 1 1361 . 1 1 116 116 LEU CA C 13 54.805 0.107 . 1 . . 1166 . A 276 LEU CA . 34030 1 1362 . 1 1 116 116 LEU CB C 13 42.376 0.034 . 1 . . 1168 . A 276 LEU CB . 34030 1 1363 . 1 1 116 116 LEU CG C 13 27.230 0.020 . 1 . . 1170 . A 276 LEU CG . 34030 1 1364 . 1 1 116 116 LEU CD1 C 13 25.514 0.139 . 2 . . 1174 . A 276 LEU CD1 . 34030 1 1365 . 1 1 116 116 LEU CD2 C 13 24.220 0.058 . 2 . . 1175 . A 276 LEU CD2 . 34030 1 1366 . 1 1 116 116 LEU N N 15 119.711 0.047 . 1 . . 1164 . A 276 LEU N . 34030 1 1367 . 1 1 117 117 ASN H H 1 7.960 0.014 . 1 . . 1177 . A 277 ASN H . 34030 1 1368 . 1 1 117 117 ASN HA H 1 4.544 0.020 . 1 . . 1179 . A 277 ASN HA . 34030 1 1369 . 1 1 117 117 ASN HB2 H 1 2.640 0.014 . 2 . . 1181 . A 277 ASN HB2 . 34030 1 1370 . 1 1 117 117 ASN HB3 H 1 2.518 0.003 . 2 . . 1182 . A 277 ASN HB3 . 34030 1 1371 . 1 1 117 117 ASN HD21 H 1 6.732 0.008 . 1 . . 1184 . A 277 ASN HD21 . 34030 1 1372 . 1 1 117 117 ASN HD22 H 1 7.409 0.002 . 1 . . 1185 . A 277 ASN HD22 . 34030 1 1373 . 1 1 117 117 ASN CA C 13 52.979 0.184 . 1 . . 1178 . A 277 ASN CA . 34030 1 1374 . 1 1 117 117 ASN CB C 13 39.104 0.049 . 1 . . 1180 . A 277 ASN CB . 34030 1 1375 . 1 1 117 117 ASN N N 15 118.565 0.047 . 1 . . 1176 . A 277 ASN N . 34030 1 1376 . 1 1 117 117 ASN ND2 N 15 112.351 0.031 . 1 . . 1183 . A 277 ASN ND2 . 34030 1 1377 . 1 1 118 118 PHE H H 1 7.942 0.006 . 1 . . 1187 . A 278 PHE H . 34030 1 1378 . 1 1 118 118 PHE HA H 1 4.431 0.001 . 1 . . 1189 . A 278 PHE HA . 34030 1 1379 . 1 1 118 118 PHE HB2 H 1 2.970 0.003 . 2 . . 1191 . A 278 PHE HB2 . 34030 1 1380 . 1 1 118 118 PHE HB3 H 1 2.763 0.020 . 2 . . 1192 . A 278 PHE HB3 . 34030 1 1381 . 1 1 118 118 PHE HD1 H 1 7.044 0.011 . 3 . . 1193 . A 278 PHE HD1 . 34030 1 1382 . 1 1 118 118 PHE HD2 H 1 7.044 0.011 . 3 . . 1193 . A 278 PHE HD2 . 34030 1 1383 . 1 1 118 118 PHE HE1 H 1 7.111 0.020 . 3 . . 1194 . A 278 PHE HE1 . 34030 1 1384 . 1 1 118 118 PHE HE2 H 1 7.111 0.020 . 3 . . 1194 . A 278 PHE HE2 . 34030 1 1385 . 1 1 118 118 PHE HZ H 1 7.023 0.020 . 1 . . 1197 . A 278 PHE HZ . 34030 1 1386 . 1 1 118 118 PHE CA C 13 57.628 0.007 . 1 . . 1188 . A 278 PHE CA . 34030 1 1387 . 1 1 118 118 PHE CB C 13 39.842 0.026 . 1 . . 1190 . A 278 PHE CB . 34030 1 1388 . 1 1 118 118 PHE CD1 C 13 131.995 0.175 . 3 . . 1198 . A 278 PHE CD1 . 34030 1 1389 . 1 1 118 118 PHE CD2 C 13 131.995 0.175 . 3 . . 1198 . A 278 PHE CD2 . 34030 1 1390 . 1 1 118 118 PHE CE1 C 13 131.310 0.200 . 3 . . 1195 . A 278 PHE CE1 . 34030 1 1391 . 1 1 118 118 PHE CE2 C 13 131.310 0.200 . 3 . . 1195 . A 278 PHE CE2 . 34030 1 1392 . 1 1 118 118 PHE CZ C 13 129.316 0.200 . 1 . . 1196 . A 278 PHE CZ . 34030 1 1393 . 1 1 118 118 PHE N N 15 120.100 0.030 . 1 . . 1186 . A 278 PHE N . 34030 1 1394 . 1 1 119 119 ASP H H 1 8.098 0.007 . 1 . . 1200 . A 279 ASP H . 34030 1 1395 . 1 1 119 119 ASP HA H 1 4.527 0.020 . 1 . . 1202 . A 279 ASP HA . 34030 1 1396 . 1 1 119 119 ASP HB2 H 1 2.660 0.033 . 2 . . 1204 . A 279 ASP HB2 . 34030 1 1397 . 1 1 119 119 ASP HB3 H 1 2.457 0.020 . 2 . . 1205 . A 279 ASP HB3 . 34030 1 1398 . 1 1 119 119 ASP CA C 13 53.710 0.095 . 1 . . 1201 . A 279 ASP CA . 34030 1 1399 . 1 1 119 119 ASP CB C 13 41.112 0.076 . 1 . . 1203 . A 279 ASP CB . 34030 1 1400 . 1 1 119 119 ASP N N 15 121.406 0.068 . 1 . . 1199 . A 279 ASP N . 34030 1 1401 . 1 1 120 120 LEU H H 1 8.234 0.024 . 1 . . 1207 . A 280 LEU H . 34030 1 1402 . 1 1 120 120 LEU HA H 1 3.976 0.018 . 1 . . 1209 . A 280 LEU HA . 34030 1 1403 . 1 1 120 120 LEU HB2 H 1 1.589 0.006 . 2 . . 1211 . A 280 LEU HB2 . 34030 1 1404 . 1 1 120 120 LEU HB3 H 1 1.464 0.009 . 2 . . 1212 . A 280 LEU HB3 . 34030 1 1405 . 1 1 120 120 LEU HG H 1 1.581 0.020 . 1 . . 1214 . A 280 LEU HG . 34030 1 1406 . 1 1 120 120 LEU HD11 H 1 0.800 0.020 . 2 . . 1215 . A 280 LEU HD11 . 34030 1 1407 . 1 1 120 120 LEU HD12 H 1 0.800 0.020 . 2 . . 1215 . A 280 LEU HD12 . 34030 1 1408 . 1 1 120 120 LEU HD13 H 1 0.800 0.020 . 2 . . 1215 . A 280 LEU HD13 . 34030 1 1409 . 1 1 120 120 LEU HD21 H 1 0.727 0.020 . 2 . . 1216 . A 280 LEU HD21 . 34030 1 1410 . 1 1 120 120 LEU HD22 H 1 0.727 0.020 . 2 . . 1216 . A 280 LEU HD22 . 34030 1 1411 . 1 1 120 120 LEU HD23 H 1 0.727 0.020 . 2 . . 1216 . A 280 LEU HD23 . 34030 1 1412 . 1 1 120 120 LEU CA C 13 56.735 0.029 . 1 . . 1208 . A 280 LEU CA . 34030 1 1413 . 1 1 120 120 LEU CB C 13 41.914 0.186 . 1 . . 1210 . A 280 LEU CB . 34030 1 1414 . 1 1 120 120 LEU CG C 13 27.167 0.042 . 1 . . 1213 . A 280 LEU CG . 34030 1 1415 . 1 1 120 120 LEU CD1 C 13 25.307 0.200 . 2 . . 1217 . A 280 LEU CD1 . 34030 1 1416 . 1 1 120 120 LEU CD2 C 13 23.722 0.200 . 2 . . 1218 . A 280 LEU CD2 . 34030 1 1417 . 1 1 120 120 LEU N N 15 123.350 0.035 . 1 . . 1206 . A 280 LEU N . 34030 1 1418 . 1 1 121 121 ASP H H 1 8.209 0.008 . 1 . . 1220 . A 281 ASP H . 34030 1 1419 . 1 1 121 121 ASP HA H 1 4.374 0.034 . 1 . . 1222 . A 281 ASP HA . 34030 1 1420 . 1 1 121 121 ASP HB2 H 1 2.595 0.004 . 1 . . 1468 . A 281 ASP HB2 . 34030 1 1421 . 1 1 121 121 ASP HB3 H 1 2.595 0.004 . 1 . . 1224 . A 281 ASP HB3 . 34030 1 1422 . 1 1 121 121 ASP CA C 13 56.014 0.069 . 1 . . 1221 . A 281 ASP CA . 34030 1 1423 . 1 1 121 121 ASP CB C 13 40.754 0.046 . 1 . . 1223 . A 281 ASP CB . 34030 1 1424 . 1 1 121 121 ASP N N 15 119.086 0.152 . 1 . . 1219 . A 281 ASP N . 34030 1 1425 . 1 1 122 122 ALA H H 1 7.755 0.004 . 1 . . 1226 . A 282 ALA H . 34030 1 1426 . 1 1 122 122 ALA HA H 1 4.111 0.031 . 1 . . 1228 . A 282 ALA HA . 34030 1 1427 . 1 1 122 122 ALA HB1 H 1 1.308 0.017 . 1 . . 1229 . A 282 ALA HB1 . 34030 1 1428 . 1 1 122 122 ALA HB2 H 1 1.308 0.017 . 1 . . 1229 . A 282 ALA HB2 . 34030 1 1429 . 1 1 122 122 ALA HB3 H 1 1.308 0.017 . 1 . . 1229 . A 282 ALA HB3 . 34030 1 1430 . 1 1 122 122 ALA CA C 13 53.298 0.113 . 1 . . 1227 . A 282 ALA CA . 34030 1 1431 . 1 1 122 122 ALA CB C 13 19.011 0.026 . 1 . . 1230 . A 282 ALA CB . 34030 1 1432 . 1 1 122 122 ALA N N 15 122.073 0.061 . 1 . . 1225 . A 282 ALA N . 34030 1 1433 . 1 1 123 123 LEU H H 1 7.617 0.013 . 1 . . 1232 . A 283 LEU H . 34030 1 1434 . 1 1 123 123 LEU HA H 1 4.128 0.005 . 1 . . 1234 . A 283 LEU HA . 34030 1 1435 . 1 1 123 123 LEU HB2 H 1 1.593 0.020 . 2 . . 1236 . A 283 LEU HB2 . 34030 1 1436 . 1 1 123 123 LEU HB3 H 1 1.475 0.020 . 2 . . 1237 . A 283 LEU HB3 . 34030 1 1437 . 1 1 123 123 LEU HG H 1 1.591 0.004 . 1 . . 1239 . A 283 LEU HG . 34030 1 1438 . 1 1 123 123 LEU HD11 H 1 0.787 0.006 . 2 . . 1240 . A 283 LEU HD11 . 34030 1 1439 . 1 1 123 123 LEU HD12 H 1 0.787 0.006 . 2 . . 1240 . A 283 LEU HD12 . 34030 1 1440 . 1 1 123 123 LEU HD13 H 1 0.787 0.006 . 2 . . 1240 . A 283 LEU HD13 . 34030 1 1441 . 1 1 123 123 LEU HD21 H 1 0.737 0.020 . 2 . . 1241 . A 283 LEU HD21 . 34030 1 1442 . 1 1 123 123 LEU HD22 H 1 0.737 0.020 . 2 . . 1241 . A 283 LEU HD22 . 34030 1 1443 . 1 1 123 123 LEU HD23 H 1 0.737 0.020 . 2 . . 1241 . A 283 LEU HD23 . 34030 1 1444 . 1 1 123 123 LEU CA C 13 55.509 0.065 . 1 . . 1233 . A 283 LEU CA . 34030 1 1445 . 1 1 123 123 LEU CB C 13 42.341 0.152 . 1 . . 1235 . A 283 LEU CB . 34030 1 1446 . 1 1 123 123 LEU CG C 13 27.067 0.138 . 1 . . 1238 . A 283 LEU CG . 34030 1 1447 . 1 1 123 123 LEU CD1 C 13 25.573 0.040 . 2 . . 1242 . A 283 LEU CD1 . 34030 1 1448 . 1 1 123 123 LEU CD2 C 13 23.761 0.033 . 2 . . 1243 . A 283 LEU CD2 . 34030 1 1449 . 1 1 123 123 LEU N N 15 117.719 0.056 . 1 . . 1231 . A 283 LEU N . 34030 1 1450 . 1 1 124 124 ASN H H 1 8.030 0.011 . 1 . . 1245 . A 284 ASN H . 34030 1 1451 . 1 1 124 124 ASN HA H 1 4.569 0.004 . 1 . . 1247 . A 284 ASN HA . 34030 1 1452 . 1 1 124 124 ASN HB2 H 1 2.826 0.033 . 2 . . 1249 . A 284 ASN HB2 . 34030 1 1453 . 1 1 124 124 ASN HB3 H 1 2.628 0.012 . 2 . . 1250 . A 284 ASN HB3 . 34030 1 1454 . 1 1 124 124 ASN HD21 H 1 6.744 0.001 . 1 . . 1252 . A 284 ASN HD21 . 34030 1 1455 . 1 1 124 124 ASN HD22 H 1 7.516 0.020 . 1 . . 1253 . A 284 ASN HD22 . 34030 1 1456 . 1 1 124 124 ASN CA C 13 53.538 0.066 . 1 . . 1246 . A 284 ASN CA . 34030 1 1457 . 1 1 124 124 ASN CB C 13 38.480 0.064 . 1 . . 1248 . A 284 ASN CB . 34030 1 1458 . 1 1 124 124 ASN N N 15 117.504 0.007 . 1 . . 1244 . A 284 ASN N . 34030 1 1459 . 1 1 124 124 ASN ND2 N 15 112.376 0.034 . 1 . . 1251 . A 284 ASN ND2 . 34030 1 1460 . 1 1 125 125 LEU H H 1 8.119 0.006 . 1 . . 1255 . A 285 LEU H . 34030 1 1461 . 1 1 125 125 LEU HA H 1 4.277 0.004 . 1 . . 1257 . A 285 LEU HA . 34030 1 1462 . 1 1 125 125 LEU HB2 H 1 1.583 0.020 . 2 . . 1259 . A 285 LEU HB2 . 34030 1 1463 . 1 1 125 125 LEU HB3 H 1 1.507 0.020 . 2 . . 1260 . A 285 LEU HB3 . 34030 1 1464 . 1 1 125 125 LEU HG H 1 1.522 0.020 . 1 . . 1262 . A 285 LEU HG . 34030 1 1465 . 1 1 125 125 LEU HD11 H 1 0.788 0.020 . 2 . . 1263 . A 285 LEU HD11 . 34030 1 1466 . 1 1 125 125 LEU HD12 H 1 0.788 0.020 . 2 . . 1263 . A 285 LEU HD12 . 34030 1 1467 . 1 1 125 125 LEU HD13 H 1 0.788 0.020 . 2 . . 1263 . A 285 LEU HD13 . 34030 1 1468 . 1 1 125 125 LEU HD21 H 1 0.760 0.020 . 2 . . 1264 . A 285 LEU HD21 . 34030 1 1469 . 1 1 125 125 LEU HD22 H 1 0.760 0.020 . 2 . . 1264 . A 285 LEU HD22 . 34030 1 1470 . 1 1 125 125 LEU HD23 H 1 0.760 0.020 . 2 . . 1264 . A 285 LEU HD23 . 34030 1 1471 . 1 1 125 125 LEU CA C 13 55.358 0.031 . 1 . . 1256 . A 285 LEU CA . 34030 1 1472 . 1 1 125 125 LEU CB C 13 42.450 0.043 . 1 . . 1258 . A 285 LEU CB . 34030 1 1473 . 1 1 125 125 LEU CG C 13 26.910 0.030 . 1 . . 1261 . A 285 LEU CG . 34030 1 1474 . 1 1 125 125 LEU CD1 C 13 25.528 0.200 . 2 . . 1265 . A 285 LEU CD1 . 34030 1 1475 . 1 1 125 125 LEU CD2 C 13 23.383 0.200 . 2 . . 1266 . A 285 LEU CD2 . 34030 1 1476 . 1 1 125 125 LEU N N 15 121.046 0.077 . 1 . . 1254 . A 285 LEU N . 34030 1 1477 . 1 1 126 126 SER H H 1 8.113 0.003 . 1 . . 1268 . A 286 SER H . 34030 1 1478 . 1 1 126 126 SER HA H 1 4.378 0.019 . 1 . . 1270 . A 286 SER HA . 34030 1 1479 . 1 1 126 126 SER HB2 H 1 3.796 0.020 . 2 . . 1272 . A 286 SER HB2 . 34030 1 1480 . 1 1 126 126 SER HB3 H 1 3.755 0.001 . 2 . . 1273 . A 286 SER HB3 . 34030 1 1481 . 1 1 126 126 SER CA C 13 58.441 0.034 . 1 . . 1269 . A 286 SER CA . 34030 1 1482 . 1 1 126 126 SER CB C 13 64.095 0.030 . 1 . . 1271 . A 286 SER CB . 34030 1 1483 . 1 1 126 126 SER N N 15 114.650 0.048 . 1 . . 1267 . A 286 SER N . 34030 1 1484 . 1 1 127 127 GLY H H 1 7.937 0.013 . 1 . . 1275 . A 287 GLY H . 34030 1 1485 . 1 1 127 127 GLY HA2 H 1 4.055 0.003 . 2 . . 1277 . A 287 GLY HA2 . 34030 1 1486 . 1 1 127 127 GLY HA3 H 1 3.917 0.008 . 2 . . 1278 . A 287 GLY HA3 . 34030 1 1487 . 1 1 127 127 GLY CA C 13 44.618 0.026 . 1 . . 1276 . A 287 GLY CA . 34030 1 1488 . 1 1 127 127 GLY N N 15 110.136 0.089 . 1 . . 1274 . A 287 GLY N . 34030 1 1489 . 1 1 128 128 PRO HA H 1 4.594 0.024 . 1 . . 1281 . A 288 PRO HA . 34030 1 1490 . 1 1 128 128 PRO HB2 H 1 1.835 0.020 . 2 . . 1283 . A 288 PRO HB2 . 34030 1 1491 . 1 1 128 128 PRO HB3 H 1 2.210 0.012 . 2 . . 1284 . A 288 PRO HB3 . 34030 1 1492 . 1 1 128 128 PRO HG2 H 1 1.913 0.022 . 1 . . 1286 . A 288 PRO HG2 . 34030 1 1493 . 1 1 128 128 PRO HG3 H 1 1.913 0.022 . 1 . . 1469 . A 288 PRO HG3 . 34030 1 1494 . 1 1 128 128 PRO HD2 H 1 3.526 0.003 . 2 . . 1287 . A 288 PRO HD2 . 34030 1 1495 . 1 1 128 128 PRO HD3 H 1 3.443 0.005 . 2 . . 1288 . A 288 PRO HD3 . 34030 1 1496 . 1 1 128 128 PRO CA C 13 61.556 0.021 . 1 . . 1280 . A 288 PRO CA . 34030 1 1497 . 1 1 128 128 PRO CB C 13 30.883 0.124 . 1 . . 1282 . A 288 PRO CB . 34030 1 1498 . 1 1 128 128 PRO CG C 13 27.407 0.200 . 1 . . 1285 . A 288 PRO CG . 34030 1 1499 . 1 1 128 128 PRO CD C 13 49.653 0.051 . 1 . . 1279 . A 288 PRO CD . 34030 1 1500 . 1 1 129 129 PRO HA H 1 4.311 0.012 . 1 . . 1291 . A 289 PRO HA . 34030 1 1501 . 1 1 129 129 PRO HB2 H 1 2.163 0.020 . 2 . . 1293 . A 289 PRO HB2 . 34030 1 1502 . 1 1 129 129 PRO HB3 H 1 1.814 0.020 . 2 . . 1294 . A 289 PRO HB3 . 34030 1 1503 . 1 1 129 129 PRO HG2 H 1 1.962 0.006 . 1 . . 1296 . A 289 PRO HG2 . 34030 1 1504 . 1 1 129 129 PRO HG3 H 1 1.962 0.006 . 1 . . 1471 . A 289 PRO HG3 . 34030 1 1505 . 1 1 129 129 PRO HD2 H 1 3.537 0.020 . 1 . . 1470 . A 289 PRO HD2 . 34030 1 1506 . 1 1 129 129 PRO HD3 H 1 3.537 0.020 . 1 . . 1297 . A 289 PRO HD3 . 34030 1 1507 . 1 1 129 129 PRO CA C 13 63.650 0.200 . 1 . . 1290 . A 289 PRO CA . 34030 1 1508 . 1 1 129 129 PRO CB C 13 31.931 0.039 . 1 . . 1292 . A 289 PRO CB . 34030 1 1509 . 1 1 129 129 PRO CG C 13 27.638 0.064 . 1 . . 1295 . A 289 PRO CG . 34030 1 1510 . 1 1 129 129 PRO CD C 13 50.553 0.200 . 1 . . 1289 . A 289 PRO CD . 34030 1 1511 . 1 1 130 130 GLY H H 1 8.481 0.018 . 1 . . 1299 . A 290 GLY H . 34030 1 1512 . 1 1 130 130 GLY HA2 H 1 3.880 0.002 . 2 . . 1301 . A 290 GLY HA2 . 34030 1 1513 . 1 1 130 130 GLY HA3 H 1 3.815 0.020 . 2 . . 1302 . A 290 GLY HA3 . 34030 1 1514 . 1 1 130 130 GLY CA C 13 45.397 0.031 . 1 . . 1300 . A 290 GLY CA . 34030 1 1515 . 1 1 130 130 GLY N N 15 109.623 0.030 . 1 . . 1298 . A 290 GLY N . 34030 1 1516 . 1 1 131 131 ALA H H 1 8.012 0.017 . 1 . . 1304 . A 291 ALA H . 34030 1 1517 . 1 1 131 131 ALA HA H 1 4.258 0.020 . 1 . . 1306 . A 291 ALA HA . 34030 1 1518 . 1 1 131 131 ALA HB1 H 1 1.291 0.011 . 1 . . 1307 . A 291 ALA HB1 . 34030 1 1519 . 1 1 131 131 ALA HB2 H 1 1.291 0.011 . 1 . . 1307 . A 291 ALA HB2 . 34030 1 1520 . 1 1 131 131 ALA HB3 H 1 1.291 0.011 . 1 . . 1307 . A 291 ALA HB3 . 34030 1 1521 . 1 1 131 131 ALA CA C 13 52.727 0.051 . 1 . . 1305 . A 291 ALA CA . 34030 1 1522 . 1 1 131 131 ALA CB C 13 19.403 0.012 . 1 . . 1308 . A 291 ALA CB . 34030 1 1523 . 1 1 131 131 ALA N N 15 123.480 0.011 . 1 . . 1303 . A 291 ALA N . 34030 1 1524 . 1 1 132 132 SER H H 1 8.283 0.005 . 1 . . 1310 . A 292 SER H . 34030 1 1525 . 1 1 132 132 SER HA H 1 4.366 0.007 . 1 . . 1312 . A 292 SER HA . 34030 1 1526 . 1 1 132 132 SER HB2 H 1 3.800 0.020 . 2 . . 1314 . A 292 SER HB2 . 34030 1 1527 . 1 1 132 132 SER HB3 H 1 3.772 0.020 . 2 . . 1315 . A 292 SER HB3 . 34030 1 1528 . 1 1 132 132 SER CA C 13 58.625 0.110 . 1 . . 1311 . A 292 SER CA . 34030 1 1529 . 1 1 132 132 SER CB C 13 63.986 0.071 . 1 . . 1313 . A 292 SER CB . 34030 1 1530 . 1 1 132 132 SER N N 15 114.385 0.024 . 1 . . 1309 . A 292 SER N . 34030 1 1531 . 1 1 133 133 GLY H H 1 8.277 0.005 . 1 . . 1317 . A 293 GLY H . 34030 1 1532 . 1 1 133 133 GLY HA2 H 1 3.895 0.020 . 2 . . 1319 . A 293 GLY HA2 . 34030 1 1533 . 1 1 133 133 GLY HA3 H 1 3.830 0.020 . 2 . . 1320 . A 293 GLY HA3 . 34030 1 1534 . 1 1 133 133 GLY CA C 13 45.644 0.007 . 1 . . 1318 . A 293 GLY CA . 34030 1 1535 . 1 1 133 133 GLY N N 15 110.371 0.074 . 1 . . 1316 . A 293 GLY N . 34030 1 1536 . 1 1 134 134 GLU H H 1 8.257 0.004 . 1 . . 1322 . A 294 GLU H . 34030 1 1537 . 1 1 134 134 GLU HA H 1 4.159 0.019 . 1 . . 1324 . A 294 GLU HA . 34030 1 1538 . 1 1 134 134 GLU HB2 H 1 1.830 0.002 . 2 . . 1326 . A 294 GLU HB2 . 34030 1 1539 . 1 1 134 134 GLU HB3 H 1 1.949 0.007 . 2 . . 1327 . A 294 GLU HB3 . 34030 1 1540 . 1 1 134 134 GLU HG2 H 1 2.147 0.006 . 2 . . 1329 . A 294 GLU HG2 . 34030 1 1541 . 1 1 134 134 GLU HG3 H 1 2.128 0.002 . 2 . . 1330 . A 294 GLU HG3 . 34030 1 1542 . 1 1 134 134 GLU CA C 13 56.969 0.003 . 1 . . 1323 . A 294 GLU CA . 34030 1 1543 . 1 1 134 134 GLU CB C 13 30.236 0.211 . 1 . . 1325 . A 294 GLU CB . 34030 1 1544 . 1 1 134 134 GLU CG C 13 36.352 0.058 . 1 . . 1328 . A 294 GLU CG . 34030 1 1545 . 1 1 134 134 GLU N N 15 120.267 0.041 . 1 . . 1321 . A 294 GLU N . 34030 1 1546 . 1 1 135 135 GLN H H 1 8.252 0.014 . 1 . . 1332 . A 295 GLN H . 34030 1 1547 . 1 1 135 135 GLN HA H 1 4.269 0.002 . 1 . . 1334 . A 295 GLN HA . 34030 1 1548 . 1 1 135 135 GLN HB2 H 1 1.890 0.020 . 2 . . 1336 . A 295 GLN HB2 . 34030 1 1549 . 1 1 135 135 GLN HB3 H 1 1.972 0.014 . 2 . . 1337 . A 295 GLN HB3 . 34030 1 1550 . 1 1 135 135 GLN HG2 H 1 2.250 0.001 . 1 . . 1472 . A 295 GLN HG2 . 34030 1 1551 . 1 1 135 135 GLN HG3 H 1 2.250 0.001 . 1 . . 1339 . A 295 GLN HG3 . 34030 1 1552 . 1 1 135 135 GLN HE21 H 1 7.441 0.020 . 1 . . 1341 . A 295 GLN HE21 . 34030 1 1553 . 1 1 135 135 GLN HE22 H 1 6.757 0.020 . 1 . . 1342 . A 295 GLN HE22 . 34030 1 1554 . 1 1 135 135 GLN CA C 13 56.013 0.026 . 1 . . 1333 . A 295 GLN CA . 34030 1 1555 . 1 1 135 135 GLN CB C 13 29.953 0.106 . 1 . . 1335 . A 295 GLN CB . 34030 1 1556 . 1 1 135 135 GLN CG C 13 34.093 0.020 . 1 . . 1338 . A 295 GLN CG . 34030 1 1557 . 1 1 135 135 GLN N N 15 119.638 0.018 . 1 . . 1331 . A 295 GLN N . 34030 1 1558 . 1 1 135 135 GLN NE2 N 15 112.115 0.054 . 1 . . 1340 . A 295 GLN NE2 . 34030 1 1559 . 1 1 136 136 CYS H H 1 8.268 0.023 . 1 . . 1344 . A 296 CYS H . 34030 1 1560 . 1 1 136 136 CYS HA H 1 4.299 0.005 . 1 . . 1346 . A 296 CYS HA . 34030 1 1561 . 1 1 136 136 CYS HB2 H 1 2.776 0.021 . 2 . . 1348 . A 296 CYS HB2 . 34030 1 1562 . 1 1 136 136 CYS HB3 H 1 2.696 0.007 . 2 . . 1349 . A 296 CYS HB3 . 34030 1 1563 . 1 1 136 136 CYS CA C 13 56.710 0.029 . 1 . . 1345 . A 296 CYS CA . 34030 1 1564 . 1 1 136 136 CYS CB C 13 34.604 0.047 . 1 . . 1347 . A 296 CYS CB . 34030 1 1565 . 1 1 136 136 CYS N N 15 120.516 0.107 . 1 . . 1343 . A 296 CYS N . 34030 1 1566 . 1 1 137 137 LEU H H 1 8.075 0.017 . 1 . . 1376 . A 297 LEU H . 34030 1 1567 . 1 1 137 137 LEU HA H 1 4.319 0.014 . 1 . . 1378 . A 297 LEU HA . 34030 1 1568 . 1 1 137 137 LEU HB2 H 1 1.518 0.016 . 2 . . 1380 . A 297 LEU HB2 . 34030 1 1569 . 1 1 137 137 LEU HB3 H 1 1.467 0.020 . 2 . . 1381 . A 297 LEU HB3 . 34030 1 1570 . 1 1 137 137 LEU HG H 1 1.472 0.020 . 1 . . 1383 . A 297 LEU HG . 34030 1 1571 . 1 1 137 137 LEU HD11 H 1 0.766 0.004 . 2 . . 1384 . A 297 LEU HD11 . 34030 1 1572 . 1 1 137 137 LEU HD12 H 1 0.766 0.004 . 2 . . 1384 . A 297 LEU HD12 . 34030 1 1573 . 1 1 137 137 LEU HD13 H 1 0.766 0.004 . 2 . . 1384 . A 297 LEU HD13 . 34030 1 1574 . 1 1 137 137 LEU HD21 H 1 0.725 0.020 . 2 . . 1385 . A 297 LEU HD21 . 34030 1 1575 . 1 1 137 137 LEU HD22 H 1 0.725 0.020 . 2 . . 1385 . A 297 LEU HD22 . 34030 1 1576 . 1 1 137 137 LEU HD23 H 1 0.725 0.020 . 2 . . 1385 . A 297 LEU HD23 . 34030 1 1577 . 1 1 137 137 LEU CA C 13 55.098 0.108 . 1 . . 1377 . A 297 LEU CA . 34030 1 1578 . 1 1 137 137 LEU CB C 13 42.887 0.216 . 1 . . 1379 . A 297 LEU CB . 34030 1 1579 . 1 1 137 137 LEU CG C 13 27.137 0.111 . 1 . . 1382 . A 297 LEU CG . 34030 1 1580 . 1 1 137 137 LEU CD1 C 13 25.328 0.005 . 2 . . 1386 . A 297 LEU CD1 . 34030 1 1581 . 1 1 137 137 LEU CD2 C 13 23.956 0.191 . 2 . . 1387 . A 297 LEU CD2 . 34030 1 1582 . 1 1 137 137 LEU N N 15 122.209 0.106 . 1 . . 1375 . A 297 LEU N . 34030 1 1583 . 1 1 138 138 ILE H H 1 7.847 0.006 . 1 . . 1389 . A 298 ILE H . 34030 1 1584 . 1 1 138 138 ILE HA H 1 4.083 0.007 . 1 . . 1391 . A 298 ILE HA . 34030 1 1585 . 1 1 138 138 ILE HB H 1 1.765 0.007 . 1 . . 1393 . A 298 ILE HB . 34030 1 1586 . 1 1 138 138 ILE HG12 H 1 1.306 0.037 . 2 . . 1397 . A 298 ILE HG12 . 34030 1 1587 . 1 1 138 138 ILE HG13 H 1 0.983 0.009 . 2 . . 1398 . A 298 ILE HG13 . 34030 1 1588 . 1 1 138 138 ILE HG21 H 1 0.764 0.003 . 1 . . 1394 . A 298 ILE HG21 . 34030 1 1589 . 1 1 138 138 ILE HG22 H 1 0.764 0.003 . 1 . . 1394 . A 298 ILE HG22 . 34030 1 1590 . 1 1 138 138 ILE HG23 H 1 0.764 0.003 . 1 . . 1394 . A 298 ILE HG23 . 34030 1 1591 . 1 1 138 138 ILE HD11 H 1 0.705 0.005 . 1 . . 1399 . A 298 ILE HD11 . 34030 1 1592 . 1 1 138 138 ILE HD12 H 1 0.705 0.005 . 1 . . 1399 . A 298 ILE HD12 . 34030 1 1593 . 1 1 138 138 ILE HD13 H 1 0.705 0.005 . 1 . . 1399 . A 298 ILE HD13 . 34030 1 1594 . 1 1 138 138 ILE CA C 13 61.151 0.036 . 1 . . 1390 . A 298 ILE CA . 34030 1 1595 . 1 1 138 138 ILE CB C 13 38.684 0.050 . 1 . . 1392 . A 298 ILE CB . 34030 1 1596 . 1 1 138 138 ILE CG1 C 13 27.364 0.068 . 1 . . 1396 . A 298 ILE CG1 . 34030 1 1597 . 1 1 138 138 ILE CG2 C 13 17.879 0.077 . 1 . . 1395 . A 298 ILE CG2 . 34030 1 1598 . 1 1 138 138 ILE CD1 C 13 13.341 0.041 . 1 . . 1400 . A 298 ILE CD1 . 34030 1 1599 . 1 1 138 138 ILE N N 15 119.848 0.051 . 1 . . 1388 . A 298 ILE N . 34030 1 1600 . 1 1 139 139 MET H H 1 7.701 0.004 . 1 . . 1402 . A 299 MET H . 34030 1 1601 . 1 1 139 139 MET HA H 1 4.169 0.005 . 1 . . 1404 . A 299 MET HA . 34030 1 1602 . 1 1 139 139 MET HB2 H 1 1.958 0.008 . 2 . . 1406 . A 299 MET HB2 . 34030 1 1603 . 1 1 139 139 MET HB3 H 1 1.816 0.005 . 2 . . 1407 . A 299 MET HB3 . 34030 1 1604 . 1 1 139 139 MET HG2 H 1 2.357 0.020 . 2 . . 1409 . A 299 MET HG2 . 34030 1 1605 . 1 1 139 139 MET HG3 H 1 2.327 0.017 . 2 . . 1410 . A 299 MET HG3 . 34030 1 1606 . 1 1 139 139 MET HE1 H 1 1.928 0.020 . 1 . . 1411 . A 299 MET HE1 . 34030 1 1607 . 1 1 139 139 MET HE2 H 1 1.928 0.020 . 1 . . 1411 . A 299 MET HE2 . 34030 1 1608 . 1 1 139 139 MET HE3 H 1 1.928 0.020 . 1 . . 1411 . A 299 MET HE3 . 34030 1 1609 . 1 1 139 139 MET CA C 13 57.016 0.033 . 1 . . 1403 . A 299 MET CA . 34030 1 1610 . 1 1 139 139 MET CB C 13 34.346 0.137 . 1 . . 1405 . A 299 MET CB . 34030 1 1611 . 1 1 139 139 MET CG C 13 32.420 0.001 . 1 . . 1408 . A 299 MET CG . 34030 1 1612 . 1 1 139 139 MET CE C 13 17.187 0.200 . 1 . . 1412 . A 299 MET CE . 34030 1 1613 . 1 1 139 139 MET N N 15 128.190 0.073 . 1 . . 1401 . A 299 MET N . 34030 1 1614 . 2 2 1 1 FAR H111 H 1 1.858 0.020 . 1 . . 1473 . A 301 FAR H111 . 34030 1 1615 . 2 2 1 1 FAR H51 H 1 1.812 0.020 . 1 . . 1474 . A 301 FAR H51 . 34030 1 1616 . 2 2 1 1 FAR H61 H 1 1.887 0.020 . 1 . . 1475 . A 301 FAR H61 . 34030 1 1617 . 2 2 1 1 FAR H91 H 1 1.764 0.020 . 1 . . 1476 . A 301 FAR H91 . 34030 1 1618 . 2 2 1 1 FAR C1 C 13 32.187 0.200 . 1 . . 1350 . A 301 FAR C1 . 34030 1 1619 . 2 2 1 1 FAR H11 H 1 2.992 0.006 . 2 . . 1351 . A 301 FAR H11 . 34030 1 1620 . 2 2 1 1 FAR H12A H 1 3.118 0.006 . 2 . . 1352 . A 301 FAR H12A . 34030 1 1621 . 2 2 1 1 FAR C2 C 13 122.723 0.200 . 1 . . 1353 . A 301 FAR C2 . 34030 1 1622 . 2 2 1 1 FAR H2 H 1 5.005 0.006 . 1 . . 1354 . A 301 FAR H2 . 34030 1 1623 . 2 2 1 1 FAR H41 H 1 1.483 0.001 . 1 . . 1355 . A 301 FAR H41 . 34030 1 1624 . 2 2 1 1 FAR H42 H 1 1.483 0.001 . 1 . . 1355 . A 301 FAR H42 . 34030 1 1625 . 2 2 1 1 FAR H43 H 1 1.483 0.001 . 1 . . 1355 . A 301 FAR H43 . 34030 1 1626 . 2 2 1 1 FAR C4 C 13 18.700 0.200 . 1 . . 1356 . A 301 FAR C4 . 34030 1 1627 . 2 2 1 1 FAR C5 C 13 42.331 0.200 . 1 . . 1357 . A 301 FAR C5 . 34030 1 1628 . 2 2 1 1 FAR H52 H 1 1.812 0.020 . 1 . . 1358 . A 301 FAR H52 . 34030 1 1629 . 2 2 1 1 FAR C6 C 13 29.040 0.200 . 1 . . 1359 . A 301 FAR C6 . 34030 1 1630 . 2 2 1 1 FAR H62 H 1 1.887 0.020 . 1 . . 1360 . A 301 FAR H62 . 34030 1 1631 . 2 2 1 1 FAR C7 C 13 127.093 0.200 . 1 . . 1361 . A 301 FAR C7 . 34030 1 1632 . 2 2 1 1 FAR H7 H 1 4.883 0.020 . 1 . . 1362 . A 301 FAR H7 . 34030 1 1633 . 2 2 1 1 FAR H101 H 1 1.379 0.020 . 1 . . 1363 . A 301 FAR H101 . 34030 1 1634 . 2 2 1 1 FAR H102 H 1 1.379 0.020 . 1 . . 1363 . A 301 FAR H102 . 34030 1 1635 . 2 2 1 1 FAR H103 H 1 1.379 0.020 . 1 . . 1363 . A 301 FAR H103 . 34030 1 1636 . 2 2 1 1 FAR C10 C 13 18.700 0.020 . 1 . . 1364 . A 301 FAR C10 . 34030 1 1637 . 2 2 1 1 FAR C9 C 13 42.350 0.200 . 1 . . 1365 . A 301 FAR C9 . 34030 1 1638 . 2 2 1 1 FAR H92 H 1 1.764 0.020 . 1 . . 1366 . A 301 FAR H92 . 34030 1 1639 . 2 2 1 1 FAR C11 C 13 29.298 0.200 . 1 . . 1367 . A 301 FAR C11 . 34030 1 1640 . 2 2 1 1 FAR H112 H 1 1.858 0.020 . 1 . . 1368 . A 301 FAR H112 . 34030 1 1641 . 2 2 1 1 FAR C12 C 13 127.093 0.200 . 1 . . 1369 . A 301 FAR C12 . 34030 1 1642 . 2 2 1 1 FAR H12 H 1 4.879 0.006 . 1 . . 1370 . A 301 FAR H12 . 34030 1 1643 . 2 2 1 1 FAR H151 H 1 1.457 0.020 . 1 . . 1371 . A 301 FAR H151 . 34030 1 1644 . 2 2 1 1 FAR H152 H 1 1.457 0.020 . 1 . . 1371 . A 301 FAR H152 . 34030 1 1645 . 2 2 1 1 FAR H153 H 1 1.457 0.020 . 1 . . 1371 . A 301 FAR H153 . 34030 1 1646 . 2 2 1 1 FAR C15 C 13 28.433 0.200 . 1 . . 1372 . A 301 FAR C15 . 34030 1 1647 . 2 2 1 1 FAR H141 H 1 1.376 0.020 . 1 . . 1373 . A 301 FAR H141 . 34030 1 1648 . 2 2 1 1 FAR H142 H 1 1.376 0.020 . 1 . . 1373 . A 301 FAR H142 . 34030 1 1649 . 2 2 1 1 FAR H143 H 1 1.376 0.020 . 1 . . 1373 . A 301 FAR H143 . 34030 1 1650 . 2 2 1 1 FAR C14 C 13 20.405 0.200 . 1 . . 1374 . A 301 FAR C14 . 34030 1 stop_ save_