data_18142 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18142 _Entry.Title ; MOZ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-15 _Entry.Accession_date 2011-12-15 _Entry.Last_release_date 2012-06-26 _Entry.Original_release_date 2012-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu Qiu . . . 18142 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18142 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PHD zinc finger' . 18142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 18142 '15N chemical shifts' 105 18142 '1H chemical shifts' 677 18142 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-26 2011-12-15 original author . 18142 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LN0 'BMRB Entry Tracking System' 18142 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18142 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22713874 _Citation.Full_citation . _Citation.Title 'Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1376 _Citation.Page_last 1391 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yu Qiu . . . 18142 1 2 Lei Liu . . . 18142 1 3 Chen Zhao . . . 18142 1 4 Chuanchun Han . . . 18142 1 5 Fudong Li . . . 18142 1 6 Jiahai Zhang . . . 18142 1 7 Mian Wu . . . 18142 1 8 Jihui Wu . . . 18142 1 9 Yunyu Shi . . . 18142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18142 _Assembly.ID 1 _Assembly.Name 'PHD zinc finger' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PHD zinc finger' 1 $entity_1 A . yes native no no . . . 18142 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 18142 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 18142 1 4 'ZINC ION_3' 2 $ZN D . no native no no . . . 18142 1 5 'ZINC ION_4' 2 $ZN E . no native no no . . . 18142 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'PHD zinc finger' 1 CYS 6 6 SG . 2 . 2 ZN 1 1 ZN . . 209 CYS SG . . 1 ZN ZN 18142 1 2 coordination single . 1 'PHD zinc finger' 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . 212 CYS SG . . 1 ZN ZN 18142 1 3 coordination single . 1 'PHD zinc finger' 1 CYS 38 38 SG . 2 . 2 ZN 1 1 ZN . . 241 CYS SG . . 1 ZN ZN 18142 1 4 coordination single . 1 'PHD zinc finger' 1 CYS 27 27 SG . 3 . 2 ZN 1 1 ZN . . 230 CYS SG . . 1 ZN ZN 18142 1 5 coordination single . 1 'PHD zinc finger' 1 CYS 30 30 SG . 3 . 2 ZN 1 1 ZN . . 233 CYS SG . . 1 ZN ZN 18142 1 6 coordination single . 1 'PHD zinc finger' 1 CYS 56 56 SG . 3 . 2 ZN 1 1 ZN . . 259 CYS SG . . 1 ZN ZN 18142 1 7 coordination single . 1 'PHD zinc finger' 1 CYS 59 59 SG . 3 . 2 ZN 1 1 ZN . . 262 CYS SG . . 1 ZN ZN 18142 1 8 coordination single . 1 'PHD zinc finger' 1 CYS 78 78 SG . 4 . 2 ZN 1 1 ZN . . 281 CYS SG . . 1 ZN ZN 18142 1 9 coordination single . 1 'PHD zinc finger' 1 CYS 81 81 SG . 4 . 2 ZN 1 1 ZN . . 284 CYS SG . . 1 ZN ZN 18142 1 10 coordination single . 1 'PHD zinc finger' 1 CYS 104 104 SG . 4 . 2 ZN 1 1 ZN . . 307 CYS SG . . 1 ZN ZN 18142 1 11 coordination single . 1 'PHD zinc finger' 1 CYS 107 107 SG . 4 . 2 ZN 1 1 ZN . . 310 CYS SG . . 1 ZN ZN 18142 1 12 coordination single . 1 'PHD zinc finger' 1 CYS 62 62 SG . 5 . 2 ZN 1 1 ZN . . 265 CYS SG . . 1 ZN ZN 18142 1 13 coordination single . 1 'PHD zinc finger' 1 CYS 65 65 SG . 5 . 2 ZN 1 1 ZN . . 268 CYS SG . . 1 ZN ZN 18142 1 14 coordination single . 1 'PHD zinc finger' 1 CYS 89 89 SG . 5 . 2 ZN 1 1 ZN . . 292 CYS SG . . 1 ZN ZN 18142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18142 _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 ; EPIPICSFCLGTKEQNREKK PEELISCADCGNSGHPSCLK FSPELTVRVKALRWQCIECK TCSSCRDQGKNADNMLFCDS CDRGFHMECCDPPLTRMPKG MWICQICRPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12510.658 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LN0 . "Structure Of Moz" . . . . . 100.00 110 100.00 100.00 6.70e-73 . . . . 18142 1 2 no PDB 3V43 . "Crystal Structure Of Moz" . . . . . 100.00 112 100.00 100.00 6.47e-73 . . . . 18142 1 3 no PDB 4LJN . "Crystal Structure Of Moz Double Phd Finger" . . . . . 100.00 136 100.00 100.00 2.70e-73 . . . . 18142 1 4 no PDB 4LK9 . "Crystal Structure Of Moz Double Phd Finger Histone H3 Tail Complex" . . . . . 100.00 136 100.00 100.00 2.70e-73 . . . . 18142 1 5 no PDB 4LKA . "Crystal Structure Of Moz Double Phd Finger Histone H3k9ac Complex" . . . . . 100.00 136 100.00 100.00 2.70e-73 . . . . 18142 1 6 no PDB 4LLB . "Crystal Structure Of Moz Double Phd Finger Histone H3k14ac Complex" . . . . . 100.00 136 100.00 100.00 2.70e-73 . . . . 18142 1 7 no DBJ BAC25728 . "unnamed protein product [Mus musculus]" . . . . . 100.00 803 98.18 100.00 4.11e-70 . . . . 18142 1 8 no DBJ BAC29621 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1010 98.18 100.00 7.79e-70 . . . . 18142 1 9 no DBJ BAC30401 . "unnamed protein product [Mus musculus]" . . . . . 100.00 461 98.18 100.00 1.21e-72 . . . . 18142 1 10 no DBJ BAC35729 . "unnamed protein product [Mus musculus]" . . . . . 100.00 435 98.18 100.00 5.76e-73 . . . . 18142 1 11 no DBJ BAD00088 . "chimeric MOZ-ASXH2 fusion protein [Homo sapiens]" . . . . . 100.00 2228 100.00 100.00 7.84e-71 . . . . 18142 1 12 no EMBL CAH89880 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 1275 100.00 100.00 2.56e-70 . . . . 18142 1 13 no GB AAC50662 . "monocytic leukaemia zinc finger protein [Homo sapiens]" . . . . . 100.00 2004 100.00 100.00 1.03e-70 . . . . 18142 1 14 no GB AAI42660 . "MYST3 protein, partial [Homo sapiens]" . . . . . 100.00 1149 100.00 100.00 1.18e-70 . . . . 18142 1 15 no GB AAI42960 . "MYST3 protein [Homo sapiens]" . . . . . 100.00 815 100.00 100.00 7.97e-71 . . . . 18142 1 16 no GB AAI63677 . "MYST histone acetyltransferase (monocytic leukemia) 3 [Danio rerio]" . . . . . 100.00 2246 97.27 99.09 6.25e-68 . . . . 18142 1 17 no GB AAI72379 . "MYST histone acetyltransferase (monocytic leukemia) 3 [synthetic construct]" . . . . . 100.00 2004 100.00 100.00 9.51e-71 . . . . 18142 1 18 no REF NP_001074618 . "histone acetyltransferase KAT6A [Mus musculus]" . . . . . 100.00 2003 98.18 100.00 7.73e-70 . . . . 18142 1 19 no REF NP_001094040 . "histone acetyltransferase KAT6A [Rattus norvegicus]" . . . . . 100.00 1998 98.18 100.00 1.35e-69 . . . . 18142 1 20 no REF NP_001116784 . "histone acetyltransferase KAT6A [Danio rerio]" . . . . . 100.00 2246 97.27 99.09 6.25e-68 . . . . 18142 1 21 no REF NP_001292807 . "histone acetyltransferase KAT6A isoform 2 [Homo sapiens]" . . . . . 100.00 815 100.00 100.00 7.97e-71 . . . . 18142 1 22 no REF NP_006757 . "histone acetyltransferase KAT6A isoform 1 [Homo sapiens]" . . . . . 100.00 2004 100.00 100.00 9.51e-71 . . . . 18142 1 23 no SP Q5TKR9 . "RecName: Full=Histone acetyltransferase KAT6A; AltName: Full=MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Short=MYST-3; AltName: F" . . . . . 100.00 1998 98.18 100.00 1.35e-69 . . . . 18142 1 24 no SP Q8BZ21 . "RecName: Full=Histone acetyltransferase KAT6A; AltName: Full=MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Short=MYST-3; AltName: F" . . . . . 100.00 2003 98.18 100.00 7.58e-70 . . . . 18142 1 25 no SP Q92794 . "RecName: Full=Histone acetyltransferase KAT6A; AltName: Full=MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Short=MYST-3; AltName: F" . . . . . 100.00 2004 100.00 100.00 9.51e-71 . . . . 18142 1 26 no TPG DAA14459 . "TPA: MYST histone acetyltransferase (monocytic leukemia) 3 [Bos taurus]" . . . . . 100.00 2018 100.00 100.00 2.01e-70 . . . . 18142 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 1 204 GLU . 18142 1 2 206 PRO . 18142 1 3 206 ILE . 18142 1 4 207 PRO . 18142 1 5 208 ILE . 18142 1 6 209 CYS . 18142 1 7 210 SER . 18142 1 8 211 PHE . 18142 1 9 212 CYS . 18142 1 10 213 LEU . 18142 1 11 214 GLY . 18142 1 12 215 THR . 18142 1 13 216 LYS . 18142 1 14 217 GLU . 18142 1 15 218 GLN . 18142 1 16 219 ASN . 18142 1 17 220 ARG . 18142 1 18 221 GLU . 18142 1 19 222 LYS . 18142 1 20 223 LYS . 18142 1 21 224 PRO . 18142 1 22 225 GLU . 18142 1 23 226 GLU . 18142 1 24 227 LEU . 18142 1 25 228 ILE . 18142 1 26 229 SER . 18142 1 27 230 CYS . 18142 1 28 231 ALA . 18142 1 29 232 ASP . 18142 1 30 233 CYS . 18142 1 31 234 GLY . 18142 1 32 235 ASN . 18142 1 33 236 SER . 18142 1 34 237 GLY . 18142 1 35 238 HIS . 18142 1 36 239 PRO . 18142 1 37 240 SER . 18142 1 38 241 CYS . 18142 1 39 242 LEU . 18142 1 40 243 LYS . 18142 1 41 244 PHE . 18142 1 42 245 SER . 18142 1 43 246 PRO . 18142 1 44 247 GLU . 18142 1 45 248 LEU . 18142 1 46 249 THR . 18142 1 47 250 VAL . 18142 1 48 251 ARG . 18142 1 49 252 VAL . 18142 1 50 253 LYS . 18142 1 51 254 ALA . 18142 1 52 255 LEU . 18142 1 53 256 ARG . 18142 1 54 257 TRP . 18142 1 55 258 GLN . 18142 1 56 259 CYS . 18142 1 57 260 ILE . 18142 1 58 261 GLU . 18142 1 59 262 CYS . 18142 1 60 263 LYS . 18142 1 61 264 THR . 18142 1 62 265 CYS . 18142 1 63 266 SER . 18142 1 64 267 SER . 18142 1 65 268 CYS . 18142 1 66 269 ARG . 18142 1 67 270 ASP . 18142 1 68 271 GLN . 18142 1 69 272 GLY . 18142 1 70 273 LYS . 18142 1 71 274 ASN . 18142 1 72 275 ALA . 18142 1 73 276 ASP . 18142 1 74 277 ASN . 18142 1 75 278 MET . 18142 1 76 279 LEU . 18142 1 77 280 PHE . 18142 1 78 281 CYS . 18142 1 79 282 ASP . 18142 1 80 283 SER . 18142 1 81 284 CYS . 18142 1 82 285 ASP . 18142 1 83 286 ARG . 18142 1 84 287 GLY . 18142 1 85 288 PHE . 18142 1 86 289 HIS . 18142 1 87 290 MET . 18142 1 88 291 GLU . 18142 1 89 292 CYS . 18142 1 90 293 CYS . 18142 1 91 294 ASP . 18142 1 92 295 PRO . 18142 1 93 296 PRO . 18142 1 94 297 LEU . 18142 1 95 298 THR . 18142 1 96 299 ARG . 18142 1 97 300 MET . 18142 1 98 301 PRO . 18142 1 99 302 LYS . 18142 1 100 303 GLY . 18142 1 101 304 MET . 18142 1 102 305 TRP . 18142 1 103 306 ILE . 18142 1 104 307 CYS . 18142 1 105 308 GLN . 18142 1 106 309 ILE . 18142 1 107 310 CYS . 18142 1 108 311 ARG . 18142 1 109 312 PRO . 18142 1 110 313 ARG . 18142 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 . GLU 1 1 18142 1 . PRO 2 2 18142 1 . ILE 3 3 18142 1 . PRO 4 4 18142 1 . ILE 5 5 18142 1 . CYS 6 6 18142 1 . SER 7 7 18142 1 . PHE 8 8 18142 1 . CYS 9 9 18142 1 . LEU 10 10 18142 1 . GLY 11 11 18142 1 . THR 12 12 18142 1 . LYS 13 13 18142 1 . GLU 14 14 18142 1 . GLN 15 15 18142 1 . ASN 16 16 18142 1 . ARG 17 17 18142 1 . GLU 18 18 18142 1 . LYS 19 19 18142 1 . LYS 20 20 18142 1 . PRO 21 21 18142 1 . GLU 22 22 18142 1 . GLU 23 23 18142 1 . LEU 24 24 18142 1 . ILE 25 25 18142 1 . SER 26 26 18142 1 . CYS 27 27 18142 1 . ALA 28 28 18142 1 . ASP 29 29 18142 1 . CYS 30 30 18142 1 . GLY 31 31 18142 1 . ASN 32 32 18142 1 . SER 33 33 18142 1 . GLY 34 34 18142 1 . HIS 35 35 18142 1 . PRO 36 36 18142 1 . SER 37 37 18142 1 . CYS 38 38 18142 1 . LEU 39 39 18142 1 . LYS 40 40 18142 1 . PHE 41 41 18142 1 . SER 42 42 18142 1 . PRO 43 43 18142 1 . GLU 44 44 18142 1 . LEU 45 45 18142 1 . THR 46 46 18142 1 . VAL 47 47 18142 1 . ARG 48 48 18142 1 . VAL 49 49 18142 1 . LYS 50 50 18142 1 . ALA 51 51 18142 1 . LEU 52 52 18142 1 . ARG 53 53 18142 1 . TRP 54 54 18142 1 . GLN 55 55 18142 1 . CYS 56 56 18142 1 . ILE 57 57 18142 1 . GLU 58 58 18142 1 . CYS 59 59 18142 1 . LYS 60 60 18142 1 . THR 61 61 18142 1 . CYS 62 62 18142 1 . SER 63 63 18142 1 . SER 64 64 18142 1 . CYS 65 65 18142 1 . ARG 66 66 18142 1 . ASP 67 67 18142 1 . GLN 68 68 18142 1 . GLY 69 69 18142 1 . LYS 70 70 18142 1 . ASN 71 71 18142 1 . ALA 72 72 18142 1 . ASP 73 73 18142 1 . ASN 74 74 18142 1 . MET 75 75 18142 1 . LEU 76 76 18142 1 . PHE 77 77 18142 1 . CYS 78 78 18142 1 . ASP 79 79 18142 1 . SER 80 80 18142 1 . CYS 81 81 18142 1 . ASP 82 82 18142 1 . ARG 83 83 18142 1 . GLY 84 84 18142 1 . PHE 85 85 18142 1 . HIS 86 86 18142 1 . MET 87 87 18142 1 . GLU 88 88 18142 1 . CYS 89 89 18142 1 . CYS 90 90 18142 1 . ASP 91 91 18142 1 . PRO 92 92 18142 1 . PRO 93 93 18142 1 . LEU 94 94 18142 1 . THR 95 95 18142 1 . ARG 96 96 18142 1 . MET 97 97 18142 1 . PRO 98 98 18142 1 . LYS 99 99 18142 1 . GLY 100 100 18142 1 . MET 101 101 18142 1 . TRP 102 102 18142 1 . ILE 103 103 18142 1 . CYS 104 104 18142 1 . GLN 105 105 18142 1 . ILE 106 106 18142 1 . CYS 107 107 18142 1 . ARG 108 108 18142 1 . PRO 109 109 18142 1 . ARG 110 110 18142 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 18142 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 18142 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 18142 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18142 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 18142 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18142 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18142 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 12 11:20:05 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18142 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18142 ZN [Zn++] SMILES CACTVS 3.341 18142 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18142 ZN [Zn+2] SMILES ACDLabs 10.04 18142 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18142 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18142 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18142 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18142 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18142 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18142 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18142 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18142 1 3 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 18142 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18142 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18142 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18142 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18142 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18142 2 3 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 18142 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18142 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18142 _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' 0.1 . M 18142 1 pH 8.0 . pH 18142 1 pressure 1 . atm 18142 1 temperature 298 . K 18142 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18142 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18142 1 'structure solution' 18142 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18142 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18142 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18142 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18142 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18142 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18142 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18142 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18142 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18142 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 18142 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18142 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18142 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.74 internal direct 1 . . . . . . . . . 18142 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18142 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18142 1 2 '2D 1H-13C HSQC aromatic' . . . 18142 1 3 '3D CBCA(CO)NH' . . . 18142 1 4 '3D C(CO)NH' . . . 18142 1 5 '3D HNCO' . . . 18142 1 6 '3D HNCA' . . . 18142 1 7 '3D HBHA(CO)NH' . . . 18142 1 8 '3D HCCH-TOCSY' . . . 18142 1 9 '3D 1H-15N NOESY' . . . 18142 1 10 '3D 1H-13C NOESY' . . . 18142 1 11 '3D HCCH-COSY' . . . 18142 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PRO HA H 1 4.410 0.018 . 1 . . . A 207 PRO HA . 18142 1 2 . 1 1 4 4 PRO HB2 H 1 1.987 0.020 . 2 . . . A 207 PRO HB2 . 18142 1 3 . 1 1 4 4 PRO HB3 H 1 1.987 0.020 . 2 . . . A 207 PRO HB3 . 18142 1 4 . 1 1 4 4 PRO HD2 H 1 3.678 0.002 . 2 . . . A 207 PRO HD2 . 18142 1 5 . 1 1 4 4 PRO HD3 H 1 3.678 0.002 . 2 . . . A 207 PRO HD3 . 18142 1 6 . 1 1 4 4 PRO C C 13 178.375 0.069 . 1 . . . A 207 PRO C . 18142 1 7 . 1 1 4 4 PRO CA C 13 63.767 0.057 . 1 . . . A 207 PRO CA . 18142 1 8 . 1 1 4 4 PRO CB C 13 30.886 0.143 . 1 . . . A 207 PRO CB . 18142 1 9 . 1 1 4 4 PRO CG C 13 27.337 0.000 . 1 . . . A 207 PRO CG . 18142 1 10 . 1 1 4 4 PRO CD C 13 51.095 0.072 . 1 . . . A 207 PRO CD . 18142 1 11 . 1 1 5 5 ILE H H 1 7.432 0.007 . 1 . . . A 208 ILE H . 18142 1 12 . 1 1 5 5 ILE HA H 1 4.536 0.012 . 1 . . . A 208 ILE HA . 18142 1 13 . 1 1 5 5 ILE HB H 1 1.383 0.017 . 1 . . . A 208 ILE HB . 18142 1 14 . 1 1 5 5 ILE HG12 H 1 0.893 0.019 . 2 . . . A 208 ILE HG12 . 18142 1 15 . 1 1 5 5 ILE HG13 H 1 0.893 0.019 . 2 . . . A 208 ILE HG13 . 18142 1 16 . 1 1 5 5 ILE HG21 H 1 0.681 0.013 . 1 . . . A 208 ILE HG21 . 18142 1 17 . 1 1 5 5 ILE HG22 H 1 0.681 0.013 . 1 . . . A 208 ILE HG22 . 18142 1 18 . 1 1 5 5 ILE HG23 H 1 0.681 0.013 . 1 . . . A 208 ILE HG23 . 18142 1 19 . 1 1 5 5 ILE HD11 H 1 0.707 0.010 . 1 . . . A 208 ILE HD11 . 18142 1 20 . 1 1 5 5 ILE HD12 H 1 0.707 0.010 . 1 . . . A 208 ILE HD12 . 18142 1 21 . 1 1 5 5 ILE HD13 H 1 0.707 0.010 . 1 . . . A 208 ILE HD13 . 18142 1 22 . 1 1 5 5 ILE C C 13 179.146 0.035 . 1 . . . A 208 ILE C . 18142 1 23 . 1 1 5 5 ILE CA C 13 58.339 0.123 . 1 . . . A 208 ILE CA . 18142 1 24 . 1 1 5 5 ILE CB C 13 42.331 0.130 . 1 . . . A 208 ILE CB . 18142 1 25 . 1 1 5 5 ILE CG2 C 13 17.739 0.058 . 1 . . . A 208 ILE CG2 . 18142 1 26 . 1 1 5 5 ILE CD1 C 13 13.568 0.051 . 1 . . . A 208 ILE CD1 . 18142 1 27 . 1 1 5 5 ILE N N 15 117.219 0.085 . 1 . . . A 208 ILE N . 18142 1 28 . 1 1 6 6 CYS H H 1 8.649 0.012 . 1 . . . A 209 CYS H . 18142 1 29 . 1 1 6 6 CYS HA H 1 3.977 0.014 . 1 . . . A 209 CYS HA . 18142 1 30 . 1 1 6 6 CYS HB2 H 1 3.122 0.014 . 2 . . . A 209 CYS HB2 . 18142 1 31 . 1 1 6 6 CYS HB3 H 1 1.700 0.020 . 2 . . . A 209 CYS HB3 . 18142 1 32 . 1 1 6 6 CYS C C 13 176.563 0.058 . 1 . . . A 209 CYS C . 18142 1 33 . 1 1 6 6 CYS CA C 13 57.732 0.133 . 1 . . . A 209 CYS CA . 18142 1 34 . 1 1 6 6 CYS CB C 13 30.994 0.126 . 1 . . . A 209 CYS CB . 18142 1 35 . 1 1 6 6 CYS N N 15 125.214 0.119 . 1 . . . A 209 CYS N . 18142 1 36 . 1 1 7 7 SER H H 1 9.038 0.010 . 1 . . . A 210 SER H . 18142 1 37 . 1 1 7 7 SER HA H 1 4.033 0.015 . 1 . . . A 210 SER HA . 18142 1 38 . 1 1 7 7 SER HB2 H 1 3.817 0.011 . 2 . . . A 210 SER HB2 . 18142 1 39 . 1 1 7 7 SER HB3 H 1 3.578 0.016 . 2 . . . A 210 SER HB3 . 18142 1 40 . 1 1 7 7 SER C C 13 179.627 0.005 . 1 . . . A 210 SER C . 18142 1 41 . 1 1 7 7 SER CA C 13 61.188 0.073 . 1 . . . A 210 SER CA . 18142 1 42 . 1 1 7 7 SER CB C 13 63.246 0.146 . 1 . . . A 210 SER CB . 18142 1 43 . 1 1 7 7 SER N N 15 125.162 0.091 . 1 . . . A 210 SER N . 18142 1 44 . 1 1 8 8 PHE H H 1 8.909 0.006 . 1 . . . A 211 PHE H . 18142 1 45 . 1 1 8 8 PHE HA H 1 4.402 0.016 . 1 . . . A 211 PHE HA . 18142 1 46 . 1 1 8 8 PHE HB2 H 1 3.133 0.012 . 2 . . . A 211 PHE HB2 . 18142 1 47 . 1 1 8 8 PHE HB3 H 1 3.133 0.012 . 2 . . . A 211 PHE HB3 . 18142 1 48 . 1 1 8 8 PHE HD1 H 1 7.324 0.016 . 3 . . . A 211 PHE HD1 . 18142 1 49 . 1 1 8 8 PHE HD2 H 1 7.324 0.016 . 3 . . . A 211 PHE HD2 . 18142 1 50 . 1 1 8 8 PHE C C 13 176.944 0.038 . 1 . . . A 211 PHE C . 18142 1 51 . 1 1 8 8 PHE CA C 13 60.438 0.088 . 1 . . . A 211 PHE CA . 18142 1 52 . 1 1 8 8 PHE CB C 13 40.057 0.113 . 1 . . . A 211 PHE CB . 18142 1 53 . 1 1 8 8 PHE N N 15 120.857 0.093 . 1 . . . A 211 PHE N . 18142 1 54 . 1 1 9 9 CYS H H 1 8.193 0.007 . 1 . . . A 212 CYS H . 18142 1 55 . 1 1 9 9 CYS HA H 1 4.950 0.016 . 1 . . . A 212 CYS HA . 18142 1 56 . 1 1 9 9 CYS HB2 H 1 3.254 0.015 . 2 . . . A 212 CYS HB2 . 18142 1 57 . 1 1 9 9 CYS HB3 H 1 2.916 0.013 . 2 . . . A 212 CYS HB3 . 18142 1 58 . 1 1 9 9 CYS C C 13 177.348 0.017 . 1 . . . A 212 CYS C . 18142 1 59 . 1 1 9 9 CYS CA C 13 58.542 0.073 . 1 . . . A 212 CYS CA . 18142 1 60 . 1 1 9 9 CYS CB C 13 32.484 0.136 . 1 . . . A 212 CYS CB . 18142 1 61 . 1 1 9 9 CYS N N 15 116.889 0.133 . 1 . . . A 212 CYS N . 18142 1 62 . 1 1 10 10 LEU H H 1 8.078 0.009 . 1 . . . A 213 LEU H . 18142 1 63 . 1 1 10 10 LEU HA H 1 4.291 0.011 . 1 . . . A 213 LEU HA . 18142 1 64 . 1 1 10 10 LEU HB2 H 1 2.144 0.011 . 2 . . . A 213 LEU HB2 . 18142 1 65 . 1 1 10 10 LEU HB3 H 1 1.658 0.014 . 2 . . . A 213 LEU HB3 . 18142 1 66 . 1 1 10 10 LEU HG H 1 1.391 0.012 . 1 . . . A 213 LEU HG . 18142 1 67 . 1 1 10 10 LEU HD11 H 1 0.795 0.015 . 2 . . . A 213 LEU HD11 . 18142 1 68 . 1 1 10 10 LEU HD12 H 1 0.795 0.015 . 2 . . . A 213 LEU HD12 . 18142 1 69 . 1 1 10 10 LEU HD13 H 1 0.795 0.015 . 2 . . . A 213 LEU HD13 . 18142 1 70 . 1 1 10 10 LEU HD21 H 1 0.854 0.007 . 2 . . . A 213 LEU HD21 . 18142 1 71 . 1 1 10 10 LEU HD22 H 1 0.854 0.007 . 2 . . . A 213 LEU HD22 . 18142 1 72 . 1 1 10 10 LEU HD23 H 1 0.854 0.007 . 2 . . . A 213 LEU HD23 . 18142 1 73 . 1 1 10 10 LEU C C 13 177.769 0.004 . 1 . . . A 213 LEU C . 18142 1 74 . 1 1 10 10 LEU CA C 13 57.071 0.088 . 1 . . . A 213 LEU CA . 18142 1 75 . 1 1 10 10 LEU CB C 13 38.065 0.067 . 1 . . . A 213 LEU CB . 18142 1 76 . 1 1 10 10 LEU CG C 13 27.641 0.127 . 1 . . . A 213 LEU CG . 18142 1 77 . 1 1 10 10 LEU CD1 C 13 22.517 0.071 . 2 . . . A 213 LEU CD1 . 18142 1 78 . 1 1 10 10 LEU CD2 C 13 25.064 0.127 . 2 . . . A 213 LEU CD2 . 18142 1 79 . 1 1 10 10 LEU N N 15 119.860 0.118 . 1 . . . A 213 LEU N . 18142 1 80 . 1 1 11 11 GLY H H 1 9.083 0.011 . 1 . . . A 214 GLY H . 18142 1 81 . 1 1 11 11 GLY HA2 H 1 4.539 0.010 . 2 . . . A 214 GLY HA2 . 18142 1 82 . 1 1 11 11 GLY HA3 H 1 4.436 0.008 . 2 . . . A 214 GLY HA3 . 18142 1 83 . 1 1 11 11 GLY C C 13 179.682 0.025 . 1 . . . A 214 GLY C . 18142 1 84 . 1 1 11 11 GLY CA C 13 43.393 0.060 . 1 . . . A 214 GLY CA . 18142 1 85 . 1 1 11 11 GLY N N 15 110.164 0.130 . 1 . . . A 214 GLY N . 18142 1 86 . 1 1 12 12 THR H H 1 7.886 0.009 . 1 . . . A 215 THR H . 18142 1 87 . 1 1 12 12 THR HA H 1 4.911 0.013 . 1 . . . A 215 THR HA . 18142 1 88 . 1 1 12 12 THR HB H 1 4.779 0.016 . 1 . . . A 215 THR HB . 18142 1 89 . 1 1 12 12 THR HG21 H 1 1.311 0.012 . 1 . . . A 215 THR HG21 . 18142 1 90 . 1 1 12 12 THR HG22 H 1 1.311 0.012 . 1 . . . A 215 THR HG22 . 18142 1 91 . 1 1 12 12 THR HG23 H 1 1.311 0.012 . 1 . . . A 215 THR HG23 . 18142 1 92 . 1 1 12 12 THR C C 13 175.798 0.051 . 1 . . . A 215 THR C . 18142 1 93 . 1 1 12 12 THR CA C 13 60.287 0.093 . 1 . . . A 215 THR CA . 18142 1 94 . 1 1 12 12 THR CB C 13 72.952 0.095 . 1 . . . A 215 THR CB . 18142 1 95 . 1 1 12 12 THR CG2 C 13 21.519 0.114 . 1 . . . A 215 THR CG2 . 18142 1 96 . 1 1 12 12 THR N N 15 107.402 0.138 . 1 . . . A 215 THR N . 18142 1 97 . 1 1 13 13 LYS H H 1 9.323 0.011 . 1 . . . A 216 LYS H . 18142 1 98 . 1 1 13 13 LYS HA H 1 4.940 0.016 . 1 . . . A 216 LYS HA . 18142 1 99 . 1 1 13 13 LYS HB2 H 1 1.929 0.011 . 2 . . . A 216 LYS HB2 . 18142 1 100 . 1 1 13 13 LYS HB3 H 1 1.710 0.020 . 2 . . . A 216 LYS HB3 . 18142 1 101 . 1 1 13 13 LYS HG2 H 1 1.455 0.010 . 2 . . . A 216 LYS HG2 . 18142 1 102 . 1 1 13 13 LYS HG3 H 1 1.139 0.017 . 2 . . . A 216 LYS HG3 . 18142 1 103 . 1 1 13 13 LYS HE2 H 1 2.976 0.010 . 2 . . . A 216 LYS HE2 . 18142 1 104 . 1 1 13 13 LYS HE3 H 1 2.976 0.010 . 2 . . . A 216 LYS HE3 . 18142 1 105 . 1 1 13 13 LYS C C 13 176.739 0.054 . 1 . . . A 216 LYS C . 18142 1 106 . 1 1 13 13 LYS CA C 13 57.260 0.059 . 1 . . . A 216 LYS CA . 18142 1 107 . 1 1 13 13 LYS CB C 13 31.418 0.112 . 1 . . . A 216 LYS CB . 18142 1 108 . 1 1 13 13 LYS CG C 13 23.978 0.143 . 1 . . . A 216 LYS CG . 18142 1 109 . 1 1 13 13 LYS CE C 13 41.884 0.028 . 1 . . . A 216 LYS CE . 18142 1 110 . 1 1 13 13 LYS N N 15 120.544 0.144 . 1 . . . A 216 LYS N . 18142 1 111 . 1 1 14 14 GLU H H 1 8.030 0.010 . 1 . . . A 217 GLU H . 18142 1 112 . 1 1 14 14 GLU HA H 1 4.178 0.015 . 1 . . . A 217 GLU HA . 18142 1 113 . 1 1 14 14 GLU HB2 H 1 2.019 0.015 . 2 . . . A 217 GLU HB2 . 18142 1 114 . 1 1 14 14 GLU HB3 H 1 1.709 0.020 . 2 . . . A 217 GLU HB3 . 18142 1 115 . 1 1 14 14 GLU HG2 H 1 2.217 0.012 . 2 . . . A 217 GLU HG2 . 18142 1 116 . 1 1 14 14 GLU HG3 H 1 2.217 0.012 . 2 . . . A 217 GLU HG3 . 18142 1 117 . 1 1 14 14 GLU C C 13 177.263 0.033 . 1 . . . A 217 GLU C . 18142 1 118 . 1 1 14 14 GLU CA C 13 57.289 0.139 . 1 . . . A 217 GLU CA . 18142 1 119 . 1 1 14 14 GLU CB C 13 30.212 0.090 . 1 . . . A 217 GLU CB . 18142 1 120 . 1 1 14 14 GLU CG C 13 36.738 0.102 . 1 . . . A 217 GLU CG . 18142 1 121 . 1 1 14 14 GLU N N 15 117.960 0.077 . 1 . . . A 217 GLU N . 18142 1 122 . 1 1 15 15 GLN H H 1 7.298 0.009 . 1 . . . A 218 GLN H . 18142 1 123 . 1 1 15 15 GLN HA H 1 3.930 0.012 . 1 . . . A 218 GLN HA . 18142 1 124 . 1 1 15 15 GLN HB2 H 1 2.005 0.015 . 2 . . . A 218 GLN HB2 . 18142 1 125 . 1 1 15 15 GLN HB3 H 1 1.813 0.023 . 2 . . . A 218 GLN HB3 . 18142 1 126 . 1 1 15 15 GLN HG2 H 1 2.099 0.013 . 2 . . . A 218 GLN HG2 . 18142 1 127 . 1 1 15 15 GLN HG3 H 1 2.099 0.013 . 2 . . . A 218 GLN HG3 . 18142 1 128 . 1 1 15 15 GLN HE21 H 1 7.535 0.006 . 2 . . . A 218 GLN HE21 . 18142 1 129 . 1 1 15 15 GLN HE22 H 1 6.760 0.007 . 2 . . . A 218 GLN HE22 . 18142 1 130 . 1 1 15 15 GLN C C 13 180.738 0.063 . 1 . . . A 218 GLN C . 18142 1 131 . 1 1 15 15 GLN CA C 13 55.303 0.081 . 1 . . . A 218 GLN CA . 18142 1 132 . 1 1 15 15 GLN CB C 13 32.489 0.116 . 1 . . . A 218 GLN CB . 18142 1 133 . 1 1 15 15 GLN CG C 13 34.294 0.021 . 1 . . . A 218 GLN CG . 18142 1 134 . 1 1 15 15 GLN N N 15 117.536 0.164 . 1 . . . A 218 GLN N . 18142 1 135 . 1 1 15 15 GLN NE2 N 15 111.710 0.100 . 1 . . . A 218 GLN NE2 . 18142 1 136 . 1 1 16 16 ASN H H 1 8.693 0.008 . 1 . . . A 219 ASN H . 18142 1 137 . 1 1 16 16 ASN HA H 1 4.116 0.016 . 1 . . . A 219 ASN HA . 18142 1 138 . 1 1 16 16 ASN HB2 H 1 2.868 0.013 . 2 . . . A 219 ASN HB2 . 18142 1 139 . 1 1 16 16 ASN HB3 H 1 2.015 0.008 . 2 . . . A 219 ASN HB3 . 18142 1 140 . 1 1 16 16 ASN HD21 H 1 8.235 0.005 . 2 . . . A 219 ASN HD21 . 18142 1 141 . 1 1 16 16 ASN HD22 H 1 6.816 0.012 . 2 . . . A 219 ASN HD22 . 18142 1 142 . 1 1 16 16 ASN C C 13 175.692 0.036 . 1 . . . A 219 ASN C . 18142 1 143 . 1 1 16 16 ASN CA C 13 51.233 0.058 . 1 . . . A 219 ASN CA . 18142 1 144 . 1 1 16 16 ASN CB C 13 36.346 0.139 . 1 . . . A 219 ASN CB . 18142 1 145 . 1 1 16 16 ASN N N 15 124.282 0.111 . 1 . . . A 219 ASN N . 18142 1 146 . 1 1 16 16 ASN ND2 N 15 112.347 0.081 . 1 . . . A 219 ASN ND2 . 18142 1 147 . 1 1 17 17 ARG H H 1 8.074 0.008 . 1 . . . A 220 ARG H . 18142 1 148 . 1 1 17 17 ARG HA H 1 3.984 0.014 . 1 . . . A 220 ARG HA . 18142 1 149 . 1 1 17 17 ARG HB2 H 1 1.731 0.007 . 2 . . . A 220 ARG HB2 . 18142 1 150 . 1 1 17 17 ARG HB3 H 1 1.731 0.007 . 2 . . . A 220 ARG HB3 . 18142 1 151 . 1 1 17 17 ARG HG2 H 1 1.663 0.010 . 2 . . . A 220 ARG HG2 . 18142 1 152 . 1 1 17 17 ARG HG3 H 1 1.663 0.010 . 2 . . . A 220 ARG HG3 . 18142 1 153 . 1 1 17 17 ARG HD2 H 1 3.211 0.014 . 2 . . . A 220 ARG HD2 . 18142 1 154 . 1 1 17 17 ARG HD3 H 1 3.211 0.014 . 2 . . . A 220 ARG HD3 . 18142 1 155 . 1 1 17 17 ARG C C 13 175.619 0.034 . 1 . . . A 220 ARG C . 18142 1 156 . 1 1 17 17 ARG CA C 13 59.703 0.081 . 1 . . . A 220 ARG CA . 18142 1 157 . 1 1 17 17 ARG CB C 13 29.998 0.088 . 1 . . . A 220 ARG CB . 18142 1 158 . 1 1 17 17 ARG CG C 13 27.994 0.061 . 1 . . . A 220 ARG CG . 18142 1 159 . 1 1 17 17 ARG CD C 13 43.369 0.081 . 1 . . . A 220 ARG CD . 18142 1 160 . 1 1 17 17 ARG N N 15 119.114 0.100 . 1 . . . A 220 ARG N . 18142 1 161 . 1 1 18 18 GLU H H 1 7.479 0.008 . 1 . . . A 221 GLU H . 18142 1 162 . 1 1 18 18 GLU HA H 1 4.330 0.015 . 1 . . . A 221 GLU HA . 18142 1 163 . 1 1 18 18 GLU HB2 H 1 2.157 0.006 . 2 . . . A 221 GLU HB2 . 18142 1 164 . 1 1 18 18 GLU HB3 H 1 1.820 0.014 . 2 . . . A 221 GLU HB3 . 18142 1 165 . 1 1 18 18 GLU HG2 H 1 2.107 0.008 . 2 . . . A 221 GLU HG2 . 18142 1 166 . 1 1 18 18 GLU HG3 H 1 2.107 0.008 . 2 . . . A 221 GLU HG3 . 18142 1 167 . 1 1 18 18 GLU C C 13 178.806 0.057 . 1 . . . A 221 GLU C . 18142 1 168 . 1 1 18 18 GLU CA C 13 55.302 0.042 . 1 . . . A 221 GLU CA . 18142 1 169 . 1 1 18 18 GLU CB C 13 29.462 0.111 . 1 . . . A 221 GLU CB . 18142 1 170 . 1 1 18 18 GLU CG C 13 36.611 0.035 . 1 . . . A 221 GLU CG . 18142 1 171 . 1 1 18 18 GLU N N 15 116.768 0.072 . 1 . . . A 221 GLU N . 18142 1 172 . 1 1 19 19 LYS H H 1 8.141 0.007 . 1 . . . A 222 LYS H . 18142 1 173 . 1 1 19 19 LYS HA H 1 3.504 0.013 . 1 . . . A 222 LYS HA . 18142 1 174 . 1 1 19 19 LYS HB2 H 1 2.117 0.014 . 2 . . . A 222 LYS HB2 . 18142 1 175 . 1 1 19 19 LYS HB3 H 1 1.908 0.011 . 2 . . . A 222 LYS HB3 . 18142 1 176 . 1 1 19 19 LYS HG2 H 1 1.581 0.021 . 2 . . . A 222 LYS HG2 . 18142 1 177 . 1 1 19 19 LYS HG3 H 1 1.340 0.012 . 2 . . . A 222 LYS HG3 . 18142 1 178 . 1 1 19 19 LYS HD2 H 1 1.193 0.010 . 2 . . . A 222 LYS HD2 . 18142 1 179 . 1 1 19 19 LYS HD3 H 1 1.193 0.010 . 2 . . . A 222 LYS HD3 . 18142 1 180 . 1 1 19 19 LYS HE2 H 1 2.923 0.006 . 2 . . . A 222 LYS HE2 . 18142 1 181 . 1 1 19 19 LYS HE3 H 1 2.923 0.006 . 2 . . . A 222 LYS HE3 . 18142 1 182 . 1 1 19 19 LYS C C 13 178.780 0.039 . 1 . . . A 222 LYS C . 18142 1 183 . 1 1 19 19 LYS CA C 13 56.933 0.056 . 1 . . . A 222 LYS CA . 18142 1 184 . 1 1 19 19 LYS CB C 13 28.448 0.098 . 1 . . . A 222 LYS CB . 18142 1 185 . 1 1 19 19 LYS CG C 13 24.735 0.078 . 1 . . . A 222 LYS CG . 18142 1 186 . 1 1 19 19 LYS N N 15 113.528 0.102 . 1 . . . A 222 LYS N . 18142 1 187 . 1 1 20 20 LYS H H 1 7.704 0.009 . 1 . . . A 223 LYS H . 18142 1 188 . 1 1 20 20 LYS HA H 1 4.772 0.017 . 1 . . . A 223 LYS HA . 18142 1 189 . 1 1 20 20 LYS HB2 H 1 1.760 0.012 . 2 . . . A 223 LYS HB2 . 18142 1 190 . 1 1 20 20 LYS HD2 H 1 1.578 0.014 . 2 . . . A 223 LYS HD2 . 18142 1 191 . 1 1 20 20 LYS HD3 H 1 1.578 0.014 . 2 . . . A 223 LYS HD3 . 18142 1 192 . 1 1 20 20 LYS HE2 H 1 2.909 0.007 . 2 . . . A 223 LYS HE2 . 18142 1 193 . 1 1 20 20 LYS HE3 H 1 2.909 0.007 . 2 . . . A 223 LYS HE3 . 18142 1 194 . 1 1 20 20 LYS C C 13 180.241 0.000 . 1 . . . A 223 LYS C . 18142 1 195 . 1 1 20 20 LYS CA C 13 53.025 0.107 . 1 . . . A 223 LYS CA . 18142 1 196 . 1 1 20 20 LYS CB C 13 33.783 0.106 . 1 . . . A 223 LYS CB . 18142 1 197 . 1 1 20 20 LYS CD C 13 28.860 0.046 . 1 . . . A 223 LYS CD . 18142 1 198 . 1 1 20 20 LYS N N 15 118.859 0.103 . 1 . . . A 223 LYS N . 18142 1 199 . 1 1 21 21 PRO HA H 1 4.170 0.019 . 1 . . . A 224 PRO HA . 18142 1 200 . 1 1 21 21 PRO HB2 H 1 2.213 0.016 . 2 . . . A 224 PRO HB2 . 18142 1 201 . 1 1 21 21 PRO HB3 H 1 1.804 0.016 . 2 . . . A 224 PRO HB3 . 18142 1 202 . 1 1 21 21 PRO HG2 H 1 2.029 0.013 . 1 . . . A 224 PRO HG2 . 18142 1 203 . 1 1 21 21 PRO HG3 H 1 2.029 0.013 . 1 . . . A 224 PRO HG3 . 18142 1 204 . 1 1 21 21 PRO HD2 H 1 3.726 0.013 . 2 . . . A 224 PRO HD2 . 18142 1 205 . 1 1 21 21 PRO HD3 H 1 3.539 0.009 . 2 . . . A 224 PRO HD3 . 18142 1 206 . 1 1 21 21 PRO CA C 13 63.143 0.062 . 1 . . . A 224 PRO CA . 18142 1 207 . 1 1 21 21 PRO CB C 13 31.879 0.193 . 1 . . . A 224 PRO CB . 18142 1 208 . 1 1 21 21 PRO CG C 13 27.690 0.099 . 1 . . . A 224 PRO CG . 18142 1 209 . 1 1 21 21 PRO CD C 13 50.224 0.103 . 1 . . . A 224 PRO CD . 18142 1 210 . 1 1 22 22 GLU H H 1 8.153 0.010 . 1 . . . A 225 GLU H . 18142 1 211 . 1 1 22 22 GLU HA H 1 4.099 0.012 . 1 . . . A 225 GLU HA . 18142 1 212 . 1 1 22 22 GLU HB2 H 1 1.898 0.002 . 2 . . . A 225 GLU HB2 . 18142 1 213 . 1 1 22 22 GLU HB3 H 1 1.898 0.002 . 2 . . . A 225 GLU HB3 . 18142 1 214 . 1 1 22 22 GLU HG2 H 1 2.671 0.015 . 2 . . . A 225 GLU HG2 . 18142 1 215 . 1 1 22 22 GLU HG3 H 1 2.388 0.017 . 2 . . . A 225 GLU HG3 . 18142 1 216 . 1 1 22 22 GLU C C 13 180.423 0.034 . 1 . . . A 225 GLU C . 18142 1 217 . 1 1 22 22 GLU CA C 13 56.664 0.070 . 1 . . . A 225 GLU CA . 18142 1 218 . 1 1 22 22 GLU CB C 13 31.525 0.060 . 1 . . . A 225 GLU CB . 18142 1 219 . 1 1 22 22 GLU CG C 13 35.174 0.141 . 1 . . . A 225 GLU CG . 18142 1 220 . 1 1 22 22 GLU N N 15 124.417 0.105 . 1 . . . A 225 GLU N . 18142 1 221 . 1 1 23 23 GLU H H 1 8.331 0.011 . 1 . . . A 226 GLU H . 18142 1 222 . 1 1 23 23 GLU HA H 1 4.095 0.011 . 1 . . . A 226 GLU HA . 18142 1 223 . 1 1 23 23 GLU HB2 H 1 1.965 0.010 . 2 . . . A 226 GLU HB2 . 18142 1 224 . 1 1 23 23 GLU HB3 H 1 1.965 0.010 . 2 . . . A 226 GLU HB3 . 18142 1 225 . 1 1 23 23 GLU HG2 H 1 2.152 0.012 . 2 . . . A 226 GLU HG2 . 18142 1 226 . 1 1 23 23 GLU HG3 H 1 2.152 0.012 . 2 . . . A 226 GLU HG3 . 18142 1 227 . 1 1 23 23 GLU C C 13 178.924 0.054 . 1 . . . A 226 GLU C . 18142 1 228 . 1 1 23 23 GLU CA C 13 56.785 0.054 . 1 . . . A 226 GLU CA . 18142 1 229 . 1 1 23 23 GLU CB C 13 30.105 0.055 . 1 . . . A 226 GLU CB . 18142 1 230 . 1 1 23 23 GLU CG C 13 35.967 0.067 . 1 . . . A 226 GLU CG . 18142 1 231 . 1 1 23 23 GLU N N 15 124.253 0.118 . 1 . . . A 226 GLU N . 18142 1 232 . 1 1 24 24 LEU H H 1 8.134 0.013 . 1 . . . A 227 LEU H . 18142 1 233 . 1 1 24 24 LEU HA H 1 4.407 0.012 . 1 . . . A 227 LEU HA . 18142 1 234 . 1 1 24 24 LEU HB2 H 1 1.508 0.016 . 2 . . . A 227 LEU HB2 . 18142 1 235 . 1 1 24 24 LEU HB3 H 1 0.972 0.012 . 2 . . . A 227 LEU HB3 . 18142 1 236 . 1 1 24 24 LEU HG H 1 1.235 0.012 . 1 . . . A 227 LEU HG . 18142 1 237 . 1 1 24 24 LEU HD11 H 1 0.562 0.012 . 2 . . . A 227 LEU HD11 . 18142 1 238 . 1 1 24 24 LEU HD12 H 1 0.562 0.012 . 2 . . . A 227 LEU HD12 . 18142 1 239 . 1 1 24 24 LEU HD13 H 1 0.562 0.012 . 2 . . . A 227 LEU HD13 . 18142 1 240 . 1 1 24 24 LEU HD21 H 1 -0.065 0.011 . 2 . . . A 227 LEU HD21 . 18142 1 241 . 1 1 24 24 LEU HD22 H 1 -0.065 0.011 . 2 . . . A 227 LEU HD22 . 18142 1 242 . 1 1 24 24 LEU HD23 H 1 -0.065 0.011 . 2 . . . A 227 LEU HD23 . 18142 1 243 . 1 1 24 24 LEU C C 13 175.875 0.062 . 1 . . . A 227 LEU C . 18142 1 244 . 1 1 24 24 LEU CA C 13 53.774 0.087 . 1 . . . A 227 LEU CA . 18142 1 245 . 1 1 24 24 LEU CB C 13 43.487 0.087 . 1 . . . A 227 LEU CB . 18142 1 246 . 1 1 24 24 LEU CD1 C 13 25.776 0.017 . 2 . . . A 227 LEU CD1 . 18142 1 247 . 1 1 24 24 LEU CD2 C 13 23.599 0.026 . 2 . . . A 227 LEU CD2 . 18142 1 248 . 1 1 24 24 LEU N N 15 116.619 0.060 . 1 . . . A 227 LEU N . 18142 1 249 . 1 1 25 25 ILE H H 1 8.532 0.006 . 1 . . . A 228 ILE H . 18142 1 250 . 1 1 25 25 ILE HA H 1 4.328 0.012 . 1 . . . A 228 ILE HA . 18142 1 251 . 1 1 25 25 ILE HB H 1 1.315 0.012 . 1 . . . A 228 ILE HB . 18142 1 252 . 1 1 25 25 ILE HG12 H 1 0.988 0.014 . 2 . . . A 228 ILE HG12 . 18142 1 253 . 1 1 25 25 ILE HG13 H 1 0.816 0.016 . 2 . . . A 228 ILE HG13 . 18142 1 254 . 1 1 25 25 ILE HG21 H 1 0.214 0.012 . 1 . . . A 228 ILE HG21 . 18142 1 255 . 1 1 25 25 ILE HG22 H 1 0.214 0.012 . 1 . . . A 228 ILE HG22 . 18142 1 256 . 1 1 25 25 ILE HG23 H 1 0.214 0.012 . 1 . . . A 228 ILE HG23 . 18142 1 257 . 1 1 25 25 ILE HD11 H 1 0.209 0.012 . 1 . . . A 228 ILE HD11 . 18142 1 258 . 1 1 25 25 ILE HD12 H 1 0.209 0.012 . 1 . . . A 228 ILE HD12 . 18142 1 259 . 1 1 25 25 ILE HD13 H 1 0.209 0.012 . 1 . . . A 228 ILE HD13 . 18142 1 260 . 1 1 25 25 ILE C C 13 178.208 0.056 . 1 . . . A 228 ILE C . 18142 1 261 . 1 1 25 25 ILE CA C 13 59.563 0.088 . 1 . . . A 228 ILE CA . 18142 1 262 . 1 1 25 25 ILE CB C 13 38.786 0.174 . 1 . . . A 228 ILE CB . 18142 1 263 . 1 1 25 25 ILE CG1 C 13 26.730 0.082 . 1 . . . A 228 ILE CG1 . 18142 1 264 . 1 1 25 25 ILE CG2 C 13 16.726 0.024 . 1 . . . A 228 ILE CG2 . 18142 1 265 . 1 1 25 25 ILE CD1 C 13 12.712 0.037 . 1 . . . A 228 ILE CD1 . 18142 1 266 . 1 1 25 25 ILE N N 15 121.137 0.101 . 1 . . . A 228 ILE N . 18142 1 267 . 1 1 26 26 SER H H 1 8.551 0.014 . 1 . . . A 229 SER H . 18142 1 268 . 1 1 26 26 SER HA H 1 5.441 0.017 . 1 . . . A 229 SER HA . 18142 1 269 . 1 1 26 26 SER HB2 H 1 3.627 0.015 . 2 . . . A 229 SER HB2 . 18142 1 270 . 1 1 26 26 SER HB3 H 1 3.393 0.014 . 2 . . . A 229 SER HB3 . 18142 1 271 . 1 1 26 26 SER C C 13 180.829 0.045 . 1 . . . A 229 SER C . 18142 1 272 . 1 1 26 26 SER CA C 13 57.125 0.049 . 1 . . . A 229 SER CA . 18142 1 273 . 1 1 26 26 SER CB C 13 65.532 0.072 . 1 . . . A 229 SER CB . 18142 1 274 . 1 1 26 26 SER N N 15 118.669 0.059 . 1 . . . A 229 SER N . 18142 1 275 . 1 1 27 27 CYS H H 1 9.173 0.007 . 1 . . . A 230 CYS H . 18142 1 276 . 1 1 27 27 CYS HA H 1 4.395 0.016 . 1 . . . A 230 CYS HA . 18142 1 277 . 1 1 27 27 CYS HB2 H 1 3.349 0.016 . 2 . . . A 230 CYS HB2 . 18142 1 278 . 1 1 27 27 CYS HB3 H 1 2.740 0.019 . 2 . . . A 230 CYS HB3 . 18142 1 279 . 1 1 27 27 CYS C C 13 175.619 0.057 . 1 . . . A 230 CYS C . 18142 1 280 . 1 1 27 27 CYS CA C 13 59.416 0.070 . 1 . . . A 230 CYS CA . 18142 1 281 . 1 1 27 27 CYS CB C 13 30.642 0.155 . 1 . . . A 230 CYS CB . 18142 1 282 . 1 1 27 27 CYS N N 15 127.734 0.100 . 1 . . . A 230 CYS N . 18142 1 283 . 1 1 28 28 ALA H H 1 9.264 0.012 . 1 . . . A 231 ALA H . 18142 1 284 . 1 1 28 28 ALA HA H 1 4.107 0.012 . 1 . . . A 231 ALA HA . 18142 1 285 . 1 1 28 28 ALA HB1 H 1 1.322 0.012 . 1 . . . A 231 ALA HB1 . 18142 1 286 . 1 1 28 28 ALA HB2 H 1 1.322 0.012 . 1 . . . A 231 ALA HB2 . 18142 1 287 . 1 1 28 28 ALA HB3 H 1 1.322 0.012 . 1 . . . A 231 ALA HB3 . 18142 1 288 . 1 1 28 28 ALA C C 13 176.556 0.041 . 1 . . . A 231 ALA C . 18142 1 289 . 1 1 28 28 ALA CA C 13 54.665 0.104 . 1 . . . A 231 ALA CA . 18142 1 290 . 1 1 28 28 ALA CB C 13 19.545 0.108 . 1 . . . A 231 ALA CB . 18142 1 291 . 1 1 28 28 ALA N N 15 134.201 0.200 . 1 . . . A 231 ALA N . 18142 1 292 . 1 1 29 29 ASP H H 1 8.878 0.005 . 1 . . . A 232 ASP H . 18142 1 293 . 1 1 29 29 ASP HA H 1 4.833 0.016 . 1 . . . A 232 ASP HA . 18142 1 294 . 1 1 29 29 ASP HB2 H 1 2.908 0.011 . 2 . . . A 232 ASP HB2 . 18142 1 295 . 1 1 29 29 ASP HB3 H 1 2.653 0.019 . 2 . . . A 232 ASP HB3 . 18142 1 296 . 1 1 29 29 ASP C C 13 176.623 0.055 . 1 . . . A 232 ASP C . 18142 1 297 . 1 1 29 29 ASP CA C 13 56.777 0.126 . 1 . . . A 232 ASP CA . 18142 1 298 . 1 1 29 29 ASP CB C 13 43.468 0.084 . 1 . . . A 232 ASP CB . 18142 1 299 . 1 1 29 29 ASP N N 15 118.648 0.094 . 1 . . . A 232 ASP N . 18142 1 300 . 1 1 30 30 CYS H H 1 8.462 0.008 . 1 . . . A 233 CYS H . 18142 1 301 . 1 1 30 30 CYS HA H 1 4.907 0.018 . 1 . . . A 233 CYS HA . 18142 1 302 . 1 1 30 30 CYS HB2 H 1 3.119 0.019 . 2 . . . A 233 CYS HB2 . 18142 1 303 . 1 1 30 30 CYS HB3 H 1 2.505 0.012 . 2 . . . A 233 CYS HB3 . 18142 1 304 . 1 1 30 30 CYS C C 13 176.778 0.027 . 1 . . . A 233 CYS C . 18142 1 305 . 1 1 30 30 CYS CA C 13 59.007 0.066 . 1 . . . A 233 CYS CA . 18142 1 306 . 1 1 30 30 CYS CB C 13 32.707 0.079 . 1 . . . A 233 CYS CB . 18142 1 307 . 1 1 30 30 CYS N N 15 119.116 0.078 . 1 . . . A 233 CYS N . 18142 1 308 . 1 1 31 31 GLY H H 1 7.611 0.011 . 1 . . . A 234 GLY H . 18142 1 309 . 1 1 31 31 GLY HA2 H 1 4.166 0.015 . 2 . . . A 234 GLY HA2 . 18142 1 310 . 1 1 31 31 GLY HA3 H 1 3.818 0.008 . 2 . . . A 234 GLY HA3 . 18142 1 311 . 1 1 31 31 GLY C C 13 180.408 0.012 . 1 . . . A 234 GLY C . 18142 1 312 . 1 1 31 31 GLY CA C 13 46.126 0.087 . 1 . . . A 234 GLY CA . 18142 1 313 . 1 1 31 31 GLY N N 15 111.890 0.106 . 1 . . . A 234 GLY N . 18142 1 314 . 1 1 32 32 ASN H H 1 9.045 0.007 . 1 . . . A 235 ASN H . 18142 1 315 . 1 1 32 32 ASN HA H 1 4.658 0.016 . 1 . . . A 235 ASN HA . 18142 1 316 . 1 1 32 32 ASN HB2 H 1 3.087 0.015 . 2 . . . A 235 ASN HB2 . 18142 1 317 . 1 1 32 32 ASN HB3 H 1 2.705 0.018 . 2 . . . A 235 ASN HB3 . 18142 1 318 . 1 1 32 32 ASN HD21 H 1 7.783 0.004 . 2 . . . A 235 ASN HD21 . 18142 1 319 . 1 1 32 32 ASN HD22 H 1 6.722 0.012 . 2 . . . A 235 ASN HD22 . 18142 1 320 . 1 1 32 32 ASN C C 13 177.177 0.031 . 1 . . . A 235 ASN C . 18142 1 321 . 1 1 32 32 ASN CA C 13 54.845 0.083 . 1 . . . A 235 ASN CA . 18142 1 322 . 1 1 32 32 ASN CB C 13 39.021 0.042 . 1 . . . A 235 ASN CB . 18142 1 323 . 1 1 32 32 ASN N N 15 122.613 0.128 . 1 . . . A 235 ASN N . 18142 1 324 . 1 1 32 32 ASN ND2 N 15 112.606 0.048 . 1 . . . A 235 ASN ND2 . 18142 1 325 . 1 1 33 33 SER H H 1 8.878 0.008 . 1 . . . A 236 SER H . 18142 1 326 . 1 1 33 33 SER HA H 1 6.012 0.022 . 1 . . . A 236 SER HA . 18142 1 327 . 1 1 33 33 SER HB2 H 1 3.769 0.013 . 2 . . . A 236 SER HB2 . 18142 1 328 . 1 1 33 33 SER HB3 H 1 3.534 0.015 . 2 . . . A 236 SER HB3 . 18142 1 329 . 1 1 33 33 SER C C 13 180.053 0.045 . 1 . . . A 236 SER C . 18142 1 330 . 1 1 33 33 SER CA C 13 57.368 0.067 . 1 . . . A 236 SER CA . 18142 1 331 . 1 1 33 33 SER CB C 13 66.815 0.088 . 1 . . . A 236 SER CB . 18142 1 332 . 1 1 33 33 SER N N 15 118.377 0.108 . 1 . . . A 236 SER N . 18142 1 333 . 1 1 34 34 GLY H H 1 8.899 0.007 . 1 . . . A 237 GLY H . 18142 1 334 . 1 1 34 34 GLY HA2 H 1 5.512 0.008 . 2 . . . A 237 GLY HA2 . 18142 1 335 . 1 1 34 34 GLY HA3 H 1 3.408 0.019 . 2 . . . A 237 GLY HA3 . 18142 1 336 . 1 1 34 34 GLY C C 13 180.702 0.058 . 1 . . . A 237 GLY C . 18142 1 337 . 1 1 34 34 GLY CA C 13 44.835 0.071 . 1 . . . A 237 GLY CA . 18142 1 338 . 1 1 34 34 GLY N N 15 106.459 0.175 . 1 . . . A 237 GLY N . 18142 1 339 . 1 1 35 35 HIS H H 1 8.758 0.007 . 1 . . . A 238 HIS H . 18142 1 340 . 1 1 35 35 HIS HA H 1 4.979 0.019 . 1 . . . A 238 HIS HA . 18142 1 341 . 1 1 35 35 HIS HB2 H 1 3.378 0.013 . 2 . . . A 238 HIS HB2 . 18142 1 342 . 1 1 35 35 HIS HB3 H 1 3.296 0.017 . 2 . . . A 238 HIS HB3 . 18142 1 343 . 1 1 35 35 HIS HD2 H 1 7.317 0.012 . 1 . . . A 238 HIS HD2 . 18142 1 344 . 1 1 35 35 HIS C C 13 178.842 0.000 . 1 . . . A 238 HIS C . 18142 1 345 . 1 1 35 35 HIS CA C 13 56.387 0.062 . 1 . . . A 238 HIS CA . 18142 1 346 . 1 1 35 35 HIS CB C 13 30.567 0.044 . 1 . . . A 238 HIS CB . 18142 1 347 . 1 1 35 35 HIS N N 15 124.158 0.154 . 1 . . . A 238 HIS N . 18142 1 348 . 1 1 36 36 PRO HA H 1 3.645 0.017 . 1 . . . A 239 PRO HA . 18142 1 349 . 1 1 36 36 PRO HB2 H 1 2.582 0.011 . 2 . . . A 239 PRO HB2 . 18142 1 350 . 1 1 36 36 PRO HB3 H 1 2.582 0.011 . 2 . . . A 239 PRO HB3 . 18142 1 351 . 1 1 36 36 PRO HG2 H 1 2.050 0.011 . 2 . . . A 239 PRO HG2 . 18142 1 352 . 1 1 36 36 PRO HG3 H 1 2.050 0.011 . 2 . . . A 239 PRO HG3 . 18142 1 353 . 1 1 36 36 PRO CA C 13 66.598 0.054 . 1 . . . A 239 PRO CA . 18142 1 354 . 1 1 36 36 PRO CB C 13 31.311 0.081 . 1 . . . A 239 PRO CB . 18142 1 355 . 1 1 37 37 SER H H 1 9.455 0.007 . 1 . . . A 240 SER H . 18142 1 356 . 1 1 37 37 SER HA H 1 4.080 0.014 . 1 . . . A 240 SER HA . 18142 1 357 . 1 1 37 37 SER HB2 H 1 3.715 0.018 . 1 . . . A 240 SER HB2 . 18142 1 358 . 1 1 37 37 SER HB3 H 1 3.715 0.018 . 1 . . . A 240 SER HB3 . 18142 1 359 . 1 1 37 37 SER C C 13 174.410 0.010 . 1 . . . A 240 SER C . 18142 1 360 . 1 1 37 37 SER CA C 13 61.053 0.201 . 1 . . . A 240 SER CA . 18142 1 361 . 1 1 37 37 SER N N 15 112.141 0.147 . 1 . . . A 240 SER N . 18142 1 362 . 1 1 38 38 CYS H H 1 7.098 0.007 . 1 . . . A 241 CYS H . 18142 1 363 . 1 1 38 38 CYS HA H 1 3.916 0.016 . 1 . . . A 241 CYS HA . 18142 1 364 . 1 1 38 38 CYS HB2 H 1 3.053 0.023 . 2 . . . A 241 CYS HB2 . 18142 1 365 . 1 1 38 38 CYS HB3 H 1 2.697 0.015 . 2 . . . A 241 CYS HB3 . 18142 1 366 . 1 1 38 38 CYS C C 13 177.170 0.000 . 1 . . . A 241 CYS C . 18142 1 367 . 1 1 38 38 CYS CA C 13 63.436 0.091 . 1 . . . A 241 CYS CA . 18142 1 368 . 1 1 38 38 CYS CB C 13 29.452 0.089 . 1 . . . A 241 CYS CB . 18142 1 369 . 1 1 38 38 CYS N N 15 125.662 0.064 . 1 . . . A 241 CYS N . 18142 1 370 . 1 1 39 39 LEU H H 1 7.540 0.009 . 1 . . . A 242 LEU H . 18142 1 371 . 1 1 39 39 LEU HA H 1 3.254 0.017 . 1 . . . A 242 LEU HA . 18142 1 372 . 1 1 39 39 LEU HB2 H 1 0.688 0.018 . 2 . . . A 242 LEU HB2 . 18142 1 373 . 1 1 39 39 LEU HB3 H 1 0.279 0.019 . 2 . . . A 242 LEU HB3 . 18142 1 374 . 1 1 39 39 LEU HG H 1 -0.040 0.008 . 1 . . . A 242 LEU HG . 18142 1 375 . 1 1 39 39 LEU C C 13 178.690 0.037 . 1 . . . A 242 LEU C . 18142 1 376 . 1 1 39 39 LEU CA C 13 55.586 0.084 . 1 . . . A 242 LEU CA . 18142 1 377 . 1 1 39 39 LEU CB C 13 41.140 0.091 . 1 . . . A 242 LEU CB . 18142 1 378 . 1 1 39 39 LEU CG C 13 24.981 0.000 . 1 . . . A 242 LEU CG . 18142 1 379 . 1 1 39 39 LEU N N 15 119.600 0.058 . 1 . . . A 242 LEU N . 18142 1 380 . 1 1 40 40 LYS H H 1 7.341 0.007 . 1 . . . A 243 LYS H . 18142 1 381 . 1 1 40 40 LYS HA H 1 3.681 0.014 . 1 . . . A 243 LYS HA . 18142 1 382 . 1 1 40 40 LYS HB2 H 1 2.111 0.019 . 2 . . . A 243 LYS HB2 . 18142 1 383 . 1 1 40 40 LYS HB3 H 1 1.881 0.018 . 2 . . . A 243 LYS HB3 . 18142 1 384 . 1 1 40 40 LYS HG2 H 1 1.188 0.014 . 2 . . . A 243 LYS HG2 . 18142 1 385 . 1 1 40 40 LYS HG3 H 1 1.188 0.014 . 2 . . . A 243 LYS HG3 . 18142 1 386 . 1 1 40 40 LYS HD2 H 1 1.591 0.015 . 2 . . . A 243 LYS HD2 . 18142 1 387 . 1 1 40 40 LYS HD3 H 1 1.591 0.015 . 2 . . . A 243 LYS HD3 . 18142 1 388 . 1 1 40 40 LYS HE2 H 1 2.927 0.011 . 2 . . . A 243 LYS HE2 . 18142 1 389 . 1 1 40 40 LYS HE3 H 1 2.927 0.011 . 2 . . . A 243 LYS HE3 . 18142 1 390 . 1 1 40 40 LYS C C 13 177.204 0.057 . 1 . . . A 243 LYS C . 18142 1 391 . 1 1 40 40 LYS CA C 13 56.885 0.075 . 1 . . . A 243 LYS CA . 18142 1 392 . 1 1 40 40 LYS CB C 13 28.150 0.100 . 1 . . . A 243 LYS CB . 18142 1 393 . 1 1 40 40 LYS CG C 13 24.846 0.155 . 1 . . . A 243 LYS CG . 18142 1 394 . 1 1 40 40 LYS CE C 13 42.010 0.045 . 1 . . . A 243 LYS CE . 18142 1 395 . 1 1 40 40 LYS N N 15 111.997 0.101 . 1 . . . A 243 LYS N . 18142 1 396 . 1 1 41 41 PHE H H 1 7.799 0.007 . 1 . . . A 244 PHE H . 18142 1 397 . 1 1 41 41 PHE HA H 1 4.912 0.018 . 1 . . . A 244 PHE HA . 18142 1 398 . 1 1 41 41 PHE HB2 H 1 2.934 0.027 . 2 . . . A 244 PHE HB2 . 18142 1 399 . 1 1 41 41 PHE HB3 H 1 2.812 0.018 . 2 . . . A 244 PHE HB3 . 18142 1 400 . 1 1 41 41 PHE HD1 H 1 6.707 0.012 . 3 . . . A 244 PHE HD1 . 18142 1 401 . 1 1 41 41 PHE HD2 H 1 6.707 0.012 . 3 . . . A 244 PHE HD2 . 18142 1 402 . 1 1 41 41 PHE HE1 H 1 6.827 0.014 . 3 . . . A 244 PHE HE1 . 18142 1 403 . 1 1 41 41 PHE HE2 H 1 6.827 0.014 . 3 . . . A 244 PHE HE2 . 18142 1 404 . 1 1 41 41 PHE C C 13 176.599 0.061 . 1 . . . A 244 PHE C . 18142 1 405 . 1 1 41 41 PHE CA C 13 53.419 0.090 . 1 . . . A 244 PHE CA . 18142 1 406 . 1 1 41 41 PHE CB C 13 38.367 0.104 . 1 . . . A 244 PHE CB . 18142 1 407 . 1 1 41 41 PHE N N 15 118.379 0.124 . 1 . . . A 244 PHE N . 18142 1 408 . 1 1 42 42 SER H H 1 8.507 0.015 . 1 . . . A 245 SER H . 18142 1 409 . 1 1 42 42 SER HA H 1 4.694 0.008 . 1 . . . A 245 SER HA . 18142 1 410 . 1 1 42 42 SER HB2 H 1 4.400 0.017 . 2 . . . A 245 SER HB2 . 18142 1 411 . 1 1 42 42 SER HB3 H 1 4.092 0.017 . 2 . . . A 245 SER HB3 . 18142 1 412 . 1 1 42 42 SER C C 13 179.449 0.000 . 1 . . . A 245 SER C . 18142 1 413 . 1 1 42 42 SER CA C 13 56.382 0.054 . 1 . . . A 245 SER CA . 18142 1 414 . 1 1 42 42 SER CB C 13 62.474 0.082 . 1 . . . A 245 SER CB . 18142 1 415 . 1 1 42 42 SER N N 15 120.314 0.113 . 1 . . . A 245 SER N . 18142 1 416 . 1 1 43 43 PRO HA H 1 4.237 0.012 . 1 . . . A 246 PRO HA . 18142 1 417 . 1 1 43 43 PRO HB2 H 1 2.367 0.015 . 2 . . . A 246 PRO HB2 . 18142 1 418 . 1 1 43 43 PRO HB3 H 1 1.885 0.018 . 2 . . . A 246 PRO HB3 . 18142 1 419 . 1 1 43 43 PRO HG2 H 1 2.196 0.013 . 2 . . . A 246 PRO HG2 . 18142 1 420 . 1 1 43 43 PRO HG3 H 1 1.982 0.010 . 2 . . . A 246 PRO HG3 . 18142 1 421 . 1 1 43 43 PRO HD2 H 1 3.916 0.011 . 2 . . . A 246 PRO HD2 . 18142 1 422 . 1 1 43 43 PRO HD3 H 1 3.916 0.011 . 2 . . . A 246 PRO HD3 . 18142 1 423 . 1 1 43 43 PRO C C 13 175.720 1.403 . 1 . . . A 246 PRO C . 18142 1 424 . 1 1 43 43 PRO CA C 13 66.068 0.038 . 1 . . . A 246 PRO CA . 18142 1 425 . 1 1 43 43 PRO CB C 13 31.676 0.128 . 1 . . . A 246 PRO CB . 18142 1 426 . 1 1 43 43 PRO CD C 13 50.560 0.046 . 1 . . . A 246 PRO CD . 18142 1 427 . 1 1 44 44 GLU H H 1 8.670 0.011 . 1 . . . A 247 GLU H . 18142 1 428 . 1 1 44 44 GLU HA H 1 3.947 0.014 . 1 . . . A 247 GLU HA . 18142 1 429 . 1 1 44 44 GLU HB2 H 1 2.000 0.020 . 2 . . . A 247 GLU HB2 . 18142 1 430 . 1 1 44 44 GLU HB3 H 1 1.883 0.012 . 2 . . . A 247 GLU HB3 . 18142 1 431 . 1 1 44 44 GLU HG2 H 1 2.418 0.011 . 2 . . . A 247 GLU HG2 . 18142 1 432 . 1 1 44 44 GLU HG3 H 1 2.215 0.011 . 2 . . . A 247 GLU HG3 . 18142 1 433 . 1 1 44 44 GLU C C 13 174.525 0.049 . 1 . . . A 247 GLU C . 18142 1 434 . 1 1 44 44 GLU CA C 13 60.126 0.068 . 1 . . . A 247 GLU CA . 18142 1 435 . 1 1 44 44 GLU CB C 13 28.702 0.107 . 1 . . . A 247 GLU CB . 18142 1 436 . 1 1 44 44 GLU CG C 13 37.011 0.066 . 1 . . . A 247 GLU CG . 18142 1 437 . 1 1 44 44 GLU N N 15 116.661 0.093 . 1 . . . A 247 GLU N . 18142 1 438 . 1 1 45 45 LEU H H 1 7.775 0.009 . 1 . . . A 248 LEU H . 18142 1 439 . 1 1 45 45 LEU HA H 1 4.034 0.007 . 1 . . . A 248 LEU HA . 18142 1 440 . 1 1 45 45 LEU HB2 H 1 1.559 0.022 . 2 . . . A 248 LEU HB2 . 18142 1 441 . 1 1 45 45 LEU HB3 H 1 1.397 0.012 . 2 . . . A 248 LEU HB3 . 18142 1 442 . 1 1 45 45 LEU HG H 1 0.723 0.025 . 1 . . . A 248 LEU HG . 18142 1 443 . 1 1 45 45 LEU HD11 H 1 0.470 0.013 . 2 . . . A 248 LEU HD11 . 18142 1 444 . 1 1 45 45 LEU HD12 H 1 0.470 0.013 . 2 . . . A 248 LEU HD12 . 18142 1 445 . 1 1 45 45 LEU HD13 H 1 0.470 0.013 . 2 . . . A 248 LEU HD13 . 18142 1 446 . 1 1 45 45 LEU HD21 H 1 0.154 0.016 . 2 . . . A 248 LEU HD21 . 18142 1 447 . 1 1 45 45 LEU HD22 H 1 0.154 0.016 . 2 . . . A 248 LEU HD22 . 18142 1 448 . 1 1 45 45 LEU HD23 H 1 0.154 0.016 . 2 . . . A 248 LEU HD23 . 18142 1 449 . 1 1 45 45 LEU C C 13 175.452 0.045 . 1 . . . A 248 LEU C . 18142 1 450 . 1 1 45 45 LEU CA C 13 57.924 0.097 . 1 . . . A 248 LEU CA . 18142 1 451 . 1 1 45 45 LEU CB C 13 41.611 0.089 . 1 . . . A 248 LEU CB . 18142 1 452 . 1 1 45 45 LEU CG C 13 26.782 0.111 . 1 . . . A 248 LEU CG . 18142 1 453 . 1 1 45 45 LEU CD1 C 13 24.803 0.158 . 2 . . . A 248 LEU CD1 . 18142 1 454 . 1 1 45 45 LEU CD2 C 13 26.866 0.038 . 2 . . . A 248 LEU CD2 . 18142 1 455 . 1 1 45 45 LEU N N 15 123.718 0.107 . 1 . . . A 248 LEU N . 18142 1 456 . 1 1 46 46 THR H H 1 8.117 0.009 . 1 . . . A 249 THR H . 18142 1 457 . 1 1 46 46 THR HA H 1 4.284 0.017 . 1 . . . A 249 THR HA . 18142 1 458 . 1 1 46 46 THR HB H 1 3.458 0.008 . 1 . . . A 249 THR HB . 18142 1 459 . 1 1 46 46 THR HG21 H 1 1.044 0.017 . 1 . . . A 249 THR HG21 . 18142 1 460 . 1 1 46 46 THR HG22 H 1 1.044 0.017 . 1 . . . A 249 THR HG22 . 18142 1 461 . 1 1 46 46 THR HG23 H 1 1.044 0.017 . 1 . . . A 249 THR HG23 . 18142 1 462 . 1 1 46 46 THR C C 13 178.469 0.000 . 1 . . . A 249 THR C . 18142 1 463 . 1 1 46 46 THR CA C 13 68.032 0.004 . 1 . . . A 249 THR CA . 18142 1 464 . 1 1 46 46 THR CB C 13 67.965 0.068 . 1 . . . A 249 THR CB . 18142 1 465 . 1 1 46 46 THR CG2 C 13 21.892 0.006 . 1 . . . A 249 THR CG2 . 18142 1 466 . 1 1 46 46 THR N N 15 115.509 0.108 . 1 . . . A 249 THR N . 18142 1 467 . 1 1 47 47 VAL H H 1 7.192 0.005 . 1 . . . A 250 VAL H . 18142 1 468 . 1 1 47 47 VAL HA H 1 3.495 0.019 . 1 . . . A 250 VAL HA . 18142 1 469 . 1 1 47 47 VAL HB H 1 2.046 0.015 . 1 . . . A 250 VAL HB . 18142 1 470 . 1 1 47 47 VAL HG11 H 1 1.033 0.016 . 2 . . . A 250 VAL HG11 . 18142 1 471 . 1 1 47 47 VAL HG12 H 1 1.033 0.016 . 2 . . . A 250 VAL HG12 . 18142 1 472 . 1 1 47 47 VAL HG13 H 1 1.033 0.016 . 2 . . . A 250 VAL HG13 . 18142 1 473 . 1 1 47 47 VAL HG21 H 1 0.894 0.012 . 2 . . . A 250 VAL HG21 . 18142 1 474 . 1 1 47 47 VAL HG22 H 1 0.894 0.012 . 2 . . . A 250 VAL HG22 . 18142 1 475 . 1 1 47 47 VAL HG23 H 1 0.894 0.012 . 2 . . . A 250 VAL HG23 . 18142 1 476 . 1 1 47 47 VAL C C 13 175.032 0.037 . 1 . . . A 250 VAL C . 18142 1 477 . 1 1 47 47 VAL CA C 13 66.232 0.068 . 1 . . . A 250 VAL CA . 18142 1 478 . 1 1 47 47 VAL CB C 13 31.938 0.125 . 1 . . . A 250 VAL CB . 18142 1 479 . 1 1 47 47 VAL CG1 C 13 22.523 0.124 . 2 . . . A 250 VAL CG1 . 18142 1 480 . 1 1 47 47 VAL CG2 C 13 21.183 0.032 . 2 . . . A 250 VAL CG2 . 18142 1 481 . 1 1 47 47 VAL N N 15 117.059 0.041 . 1 . . . A 250 VAL N . 18142 1 482 . 1 1 48 48 ARG H H 1 7.274 0.010 . 1 . . . A 251 ARG H . 18142 1 483 . 1 1 48 48 ARG HA H 1 4.032 0.009 . 1 . . . A 251 ARG HA . 18142 1 484 . 1 1 48 48 ARG HB2 H 1 1.994 0.021 . 2 . . . A 251 ARG HB2 . 18142 1 485 . 1 1 48 48 ARG HB3 H 1 1.798 0.013 . 2 . . . A 251 ARG HB3 . 18142 1 486 . 1 1 48 48 ARG HG2 H 1 1.761 0.009 . 2 . . . A 251 ARG HG2 . 18142 1 487 . 1 1 48 48 ARG HG3 H 1 1.627 0.011 . 2 . . . A 251 ARG HG3 . 18142 1 488 . 1 1 48 48 ARG HD2 H 1 3.223 0.013 . 2 . . . A 251 ARG HD2 . 18142 1 489 . 1 1 48 48 ARG HD3 H 1 3.162 0.012 . 2 . . . A 251 ARG HD3 . 18142 1 490 . 1 1 48 48 ARG C C 13 173.623 0.042 . 1 . . . A 251 ARG C . 18142 1 491 . 1 1 48 48 ARG CA C 13 59.080 0.150 . 1 . . . A 251 ARG CA . 18142 1 492 . 1 1 48 48 ARG CB C 13 29.660 0.131 . 1 . . . A 251 ARG CB . 18142 1 493 . 1 1 48 48 ARG CG C 13 27.643 0.111 . 1 . . . A 251 ARG CG . 18142 1 494 . 1 1 48 48 ARG CD C 13 42.551 0.066 . 1 . . . A 251 ARG CD . 18142 1 495 . 1 1 48 48 ARG N N 15 119.052 0.157 . 1 . . . A 251 ARG N . 18142 1 496 . 1 1 49 49 VAL H H 1 8.594 0.009 . 1 . . . A 252 VAL H . 18142 1 497 . 1 1 49 49 VAL HA H 1 3.788 0.014 . 1 . . . A 252 VAL HA . 18142 1 498 . 1 1 49 49 VAL HB H 1 1.991 0.017 . 1 . . . A 252 VAL HB . 18142 1 499 . 1 1 49 49 VAL HG11 H 1 0.644 0.012 . 2 . . . A 252 VAL HG11 . 18142 1 500 . 1 1 49 49 VAL HG12 H 1 0.644 0.012 . 2 . . . A 252 VAL HG12 . 18142 1 501 . 1 1 49 49 VAL HG13 H 1 0.644 0.012 . 2 . . . A 252 VAL HG13 . 18142 1 502 . 1 1 49 49 VAL HG21 H 1 0.663 0.006 . 2 . . . A 252 VAL HG21 . 18142 1 503 . 1 1 49 49 VAL HG22 H 1 0.663 0.006 . 2 . . . A 252 VAL HG22 . 18142 1 504 . 1 1 49 49 VAL HG23 H 1 0.663 0.006 . 2 . . . A 252 VAL HG23 . 18142 1 505 . 1 1 49 49 VAL C C 13 175.012 0.032 . 1 . . . A 252 VAL C . 18142 1 506 . 1 1 49 49 VAL CA C 13 65.351 0.076 . 1 . . . A 252 VAL CA . 18142 1 507 . 1 1 49 49 VAL CB C 13 31.125 0.136 . 1 . . . A 252 VAL CB . 18142 1 508 . 1 1 49 49 VAL CG1 C 13 21.184 0.073 . 2 . . . A 252 VAL CG1 . 18142 1 509 . 1 1 49 49 VAL CG2 C 13 21.837 0.043 . 2 . . . A 252 VAL CG2 . 18142 1 510 . 1 1 49 49 VAL N N 15 115.485 0.106 . 1 . . . A 252 VAL N . 18142 1 511 . 1 1 50 50 LYS H H 1 7.561 0.007 . 1 . . . A 253 LYS H . 18142 1 512 . 1 1 50 50 LYS HA H 1 4.053 0.012 . 1 . . . A 253 LYS HA . 18142 1 513 . 1 1 50 50 LYS HB2 H 1 1.905 0.015 . 2 . . . A 253 LYS HB2 . 18142 1 514 . 1 1 50 50 LYS HB3 H 1 1.708 0.017 . 2 . . . A 253 LYS HB3 . 18142 1 515 . 1 1 50 50 LYS HG2 H 1 1.737 0.004 . 2 . . . A 253 LYS HG2 . 18142 1 516 . 1 1 50 50 LYS HG3 H 1 1.431 0.018 . 2 . . . A 253 LYS HG3 . 18142 1 517 . 1 1 50 50 LYS HD2 H 1 1.589 0.007 . 2 . . . A 253 LYS HD2 . 18142 1 518 . 1 1 50 50 LYS HD3 H 1 1.589 0.007 . 2 . . . A 253 LYS HD3 . 18142 1 519 . 1 1 50 50 LYS HE2 H 1 2.776 0.009 . 2 . . . A 253 LYS HE2 . 18142 1 520 . 1 1 50 50 LYS HE3 H 1 2.776 0.009 . 2 . . . A 253 LYS HE3 . 18142 1 521 . 1 1 50 50 LYS C C 13 176.505 0.055 . 1 . . . A 253 LYS C . 18142 1 522 . 1 1 50 50 LYS CA C 13 58.822 0.056 . 1 . . . A 253 LYS CA . 18142 1 523 . 1 1 50 50 LYS CB C 13 32.331 0.111 . 1 . . . A 253 LYS CB . 18142 1 524 . 1 1 50 50 LYS CG C 13 26.325 0.081 . 1 . . . A 253 LYS CG . 18142 1 525 . 1 1 50 50 LYS CD C 13 29.447 0.087 . 1 . . . A 253 LYS CD . 18142 1 526 . 1 1 50 50 LYS CE C 13 41.355 0.016 . 1 . . . A 253 LYS CE . 18142 1 527 . 1 1 50 50 LYS N N 15 118.099 0.069 . 1 . . . A 253 LYS N . 18142 1 528 . 1 1 51 51 ALA H H 1 7.312 0.008 . 1 . . . A 254 ALA H . 18142 1 529 . 1 1 51 51 ALA HA H 1 4.564 0.013 . 1 . . . A 254 ALA HA . 18142 1 530 . 1 1 51 51 ALA HB1 H 1 1.476 0.011 . 1 . . . A 254 ALA HB1 . 18142 1 531 . 1 1 51 51 ALA HB2 H 1 1.476 0.011 . 1 . . . A 254 ALA HB2 . 18142 1 532 . 1 1 51 51 ALA HB3 H 1 1.476 0.011 . 1 . . . A 254 ALA HB3 . 18142 1 533 . 1 1 51 51 ALA C C 13 177.019 0.026 . 1 . . . A 254 ALA C . 18142 1 534 . 1 1 51 51 ALA CA C 13 51.498 0.067 . 1 . . . A 254 ALA CA . 18142 1 535 . 1 1 51 51 ALA CB C 13 19.538 0.041 . 1 . . . A 254 ALA CB . 18142 1 536 . 1 1 51 51 ALA N N 15 119.885 0.069 . 1 . . . A 254 ALA N . 18142 1 537 . 1 1 52 52 LEU H H 1 7.573 0.008 . 1 . . . A 255 LEU H . 18142 1 538 . 1 1 52 52 LEU HA H 1 4.700 0.012 . 1 . . . A 255 LEU HA . 18142 1 539 . 1 1 52 52 LEU HB2 H 1 1.766 0.016 . 2 . . . A 255 LEU HB2 . 18142 1 540 . 1 1 52 52 LEU HB3 H 1 1.601 0.013 . 2 . . . A 255 LEU HB3 . 18142 1 541 . 1 1 52 52 LEU HG H 1 1.959 0.010 . 1 . . . A 255 LEU HG . 18142 1 542 . 1 1 52 52 LEU HD11 H 1 0.887 0.010 . 2 . . . A 255 LEU HD11 . 18142 1 543 . 1 1 52 52 LEU HD12 H 1 0.887 0.010 . 2 . . . A 255 LEU HD12 . 18142 1 544 . 1 1 52 52 LEU HD13 H 1 0.887 0.010 . 2 . . . A 255 LEU HD13 . 18142 1 545 . 1 1 52 52 LEU C C 13 177.988 0.000 . 1 . . . A 255 LEU C . 18142 1 546 . 1 1 52 52 LEU CA C 13 53.270 0.046 . 1 . . . A 255 LEU CA . 18142 1 547 . 1 1 52 52 LEU CB C 13 44.412 0.081 . 1 . . . A 255 LEU CB . 18142 1 548 . 1 1 52 52 LEU CD1 C 13 23.719 0.043 . 2 . . . A 255 LEU CD1 . 18142 1 549 . 1 1 52 52 LEU CD2 C 13 23.719 0.043 . 2 . . . A 255 LEU CD2 . 18142 1 550 . 1 1 52 52 LEU N N 15 119.729 0.037 . 1 . . . A 255 LEU N . 18142 1 551 . 1 1 53 53 ARG HA H 1 4.452 0.015 . 1 . . . A 256 ARG HA . 18142 1 552 . 1 1 53 53 ARG HB2 H 1 1.540 0.006 . 2 . . . A 256 ARG HB2 . 18142 1 553 . 1 1 53 53 ARG HB3 H 1 1.540 0.006 . 2 . . . A 256 ARG HB3 . 18142 1 554 . 1 1 53 53 ARG HG2 H 1 1.343 0.022 . 2 . . . A 256 ARG HG2 . 18142 1 555 . 1 1 53 53 ARG HG3 H 1 1.343 0.022 . 2 . . . A 256 ARG HG3 . 18142 1 556 . 1 1 53 53 ARG HD2 H 1 3.081 0.013 . 2 . . . A 256 ARG HD2 . 18142 1 557 . 1 1 53 53 ARG HD3 H 1 3.081 0.013 . 2 . . . A 256 ARG HD3 . 18142 1 558 . 1 1 53 53 ARG C C 13 178.852 0.000 . 1 . . . A 256 ARG C . 18142 1 559 . 1 1 53 53 ARG CA C 13 55.286 0.036 . 1 . . . A 256 ARG CA . 18142 1 560 . 1 1 53 53 ARG CB C 13 28.297 0.264 . 1 . . . A 256 ARG CB . 18142 1 561 . 1 1 54 54 TRP H H 1 8.516 0.013 . 1 . . . A 257 TRP H . 18142 1 562 . 1 1 54 54 TRP HA H 1 4.428 0.015 . 1 . . . A 257 TRP HA . 18142 1 563 . 1 1 54 54 TRP HB2 H 1 3.219 0.012 . 2 . . . A 257 TRP HB2 . 18142 1 564 . 1 1 54 54 TRP HB3 H 1 3.064 0.020 . 2 . . . A 257 TRP HB3 . 18142 1 565 . 1 1 54 54 TRP HD1 H 1 7.402 0.009 . 1 . . . A 257 TRP HD1 . 18142 1 566 . 1 1 54 54 TRP HE1 H 1 11.516 0.006 . 1 . . . A 257 TRP HE1 . 18142 1 567 . 1 1 54 54 TRP HE3 H 1 7.088 0.005 . 1 . . . A 257 TRP HE3 . 18142 1 568 . 1 1 54 54 TRP HZ2 H 1 7.516 0.009 . 1 . . . A 257 TRP HZ2 . 18142 1 569 . 1 1 54 54 TRP HZ3 H 1 6.684 0.012 . 1 . . . A 257 TRP HZ3 . 18142 1 570 . 1 1 54 54 TRP HH2 H 1 6.893 0.006 . 1 . . . A 257 TRP HH2 . 18142 1 571 . 1 1 54 54 TRP C C 13 179.085 0.045 . 1 . . . A 257 TRP C . 18142 1 572 . 1 1 54 54 TRP CA C 13 59.359 0.071 . 1 . . . A 257 TRP CA . 18142 1 573 . 1 1 54 54 TRP CB C 13 29.381 0.060 . 1 . . . A 257 TRP CB . 18142 1 574 . 1 1 54 54 TRP N N 15 131.839 0.188 . 1 . . . A 257 TRP N . 18142 1 575 . 1 1 54 54 TRP NE1 N 15 131.742 0.069 . 1 . . . A 257 TRP NE1 . 18142 1 576 . 1 1 55 55 GLN H H 1 7.617 0.018 . 1 . . . A 258 GLN H . 18142 1 577 . 1 1 55 55 GLN HA H 1 5.153 0.020 . 1 . . . A 258 GLN HA . 18142 1 578 . 1 1 55 55 GLN HB2 H 1 2.045 0.018 . 2 . . . A 258 GLN HB2 . 18142 1 579 . 1 1 55 55 GLN HB3 H 1 2.045 0.018 . 2 . . . A 258 GLN HB3 . 18142 1 580 . 1 1 55 55 GLN HG2 H 1 2.206 0.015 . 2 . . . A 258 GLN HG2 . 18142 1 581 . 1 1 55 55 GLN HG3 H 1 2.206 0.015 . 2 . . . A 258 GLN HG3 . 18142 1 582 . 1 1 55 55 GLN C C 13 180.123 0.072 . 1 . . . A 258 GLN C . 18142 1 583 . 1 1 55 55 GLN CA C 13 52.232 0.126 . 1 . . . A 258 GLN CA . 18142 1 584 . 1 1 55 55 GLN CB C 13 33.268 0.288 . 1 . . . A 258 GLN CB . 18142 1 585 . 1 1 55 55 GLN N N 15 124.273 0.080 . 1 . . . A 258 GLN N . 18142 1 586 . 1 1 56 56 CYS H H 1 8.867 0.008 . 1 . . . A 259 CYS H . 18142 1 587 . 1 1 56 56 CYS HA H 1 3.856 0.016 . 1 . . . A 259 CYS HA . 18142 1 588 . 1 1 56 56 CYS HB2 H 1 3.379 0.010 . 2 . . . A 259 CYS HB2 . 18142 1 589 . 1 1 56 56 CYS HB3 H 1 2.536 0.015 . 2 . . . A 259 CYS HB3 . 18142 1 590 . 1 1 56 56 CYS C C 13 177.759 0.048 . 1 . . . A 259 CYS C . 18142 1 591 . 1 1 56 56 CYS CA C 13 57.285 0.050 . 1 . . . A 259 CYS CA . 18142 1 592 . 1 1 56 56 CYS CB C 13 30.907 0.140 . 1 . . . A 259 CYS CB . 18142 1 593 . 1 1 56 56 CYS N N 15 121.865 0.095 . 1 . . . A 259 CYS N . 18142 1 594 . 1 1 57 57 ILE H H 1 8.394 0.010 . 1 . . . A 260 ILE H . 18142 1 595 . 1 1 57 57 ILE HA H 1 3.658 0.018 . 1 . . . A 260 ILE HA . 18142 1 596 . 1 1 57 57 ILE HB H 1 1.831 0.013 . 1 . . . A 260 ILE HB . 18142 1 597 . 1 1 57 57 ILE HG12 H 1 1.388 0.012 . 2 . . . A 260 ILE HG12 . 18142 1 598 . 1 1 57 57 ILE HG13 H 1 1.171 0.013 . 2 . . . A 260 ILE HG13 . 18142 1 599 . 1 1 57 57 ILE HG21 H 1 0.911 0.011 . 1 . . . A 260 ILE HG21 . 18142 1 600 . 1 1 57 57 ILE HG22 H 1 0.911 0.011 . 1 . . . A 260 ILE HG22 . 18142 1 601 . 1 1 57 57 ILE HG23 H 1 0.911 0.011 . 1 . . . A 260 ILE HG23 . 18142 1 602 . 1 1 57 57 ILE HD11 H 1 0.732 0.012 . 1 . . . A 260 ILE HD11 . 18142 1 603 . 1 1 57 57 ILE HD12 H 1 0.732 0.012 . 1 . . . A 260 ILE HD12 . 18142 1 604 . 1 1 57 57 ILE HD13 H 1 0.732 0.012 . 1 . . . A 260 ILE HD13 . 18142 1 605 . 1 1 57 57 ILE C C 13 177.086 0.055 . 1 . . . A 260 ILE C . 18142 1 606 . 1 1 57 57 ILE CA C 13 63.631 0.051 . 1 . . . A 260 ILE CA . 18142 1 607 . 1 1 57 57 ILE CB C 13 38.314 0.135 . 1 . . . A 260 ILE CB . 18142 1 608 . 1 1 57 57 ILE CG1 C 13 28.985 0.083 . 1 . . . A 260 ILE CG1 . 18142 1 609 . 1 1 57 57 ILE CG2 C 13 17.765 0.054 . 1 . . . A 260 ILE CG2 . 18142 1 610 . 1 1 57 57 ILE CD1 C 13 14.034 0.116 . 1 . . . A 260 ILE CD1 . 18142 1 611 . 1 1 57 57 ILE N N 15 116.777 0.057 . 1 . . . A 260 ILE N . 18142 1 612 . 1 1 58 58 GLU H H 1 8.004 0.009 . 1 . . . A 261 GLU H . 18142 1 613 . 1 1 58 58 GLU HA H 1 4.091 0.015 . 1 . . . A 261 GLU HA . 18142 1 614 . 1 1 58 58 GLU HB2 H 1 2.027 0.012 . 2 . . . A 261 GLU HB2 . 18142 1 615 . 1 1 58 58 GLU HB3 H 1 2.027 0.012 . 2 . . . A 261 GLU HB3 . 18142 1 616 . 1 1 58 58 GLU HG2 H 1 2.281 0.023 . 2 . . . A 261 GLU HG2 . 18142 1 617 . 1 1 58 58 GLU HG3 H 1 2.281 0.023 . 2 . . . A 261 GLU HG3 . 18142 1 618 . 1 1 58 58 GLU C C 13 175.124 0.040 . 1 . . . A 261 GLU C . 18142 1 619 . 1 1 58 58 GLU CA C 13 58.624 0.063 . 1 . . . A 261 GLU CA . 18142 1 620 . 1 1 58 58 GLU CB C 13 29.914 0.098 . 1 . . . A 261 GLU CB . 18142 1 621 . 1 1 58 58 GLU CG C 13 36.926 0.060 . 1 . . . A 261 GLU CG . 18142 1 622 . 1 1 58 58 GLU N N 15 120.777 0.108 . 1 . . . A 261 GLU N . 18142 1 623 . 1 1 59 59 CYS H H 1 7.709 0.009 . 1 . . . A 262 CYS H . 18142 1 624 . 1 1 59 59 CYS HA H 1 3.894 0.011 . 1 . . . A 262 CYS HA . 18142 1 625 . 1 1 59 59 CYS HB2 H 1 3.024 0.012 . 2 . . . A 262 CYS HB2 . 18142 1 626 . 1 1 59 59 CYS HB3 H 1 2.491 0.020 . 2 . . . A 262 CYS HB3 . 18142 1 627 . 1 1 59 59 CYS C C 13 178.151 0.054 . 1 . . . A 262 CYS C . 18142 1 628 . 1 1 59 59 CYS CA C 13 61.122 0.085 . 1 . . . A 262 CYS CA . 18142 1 629 . 1 1 59 59 CYS CB C 13 31.166 0.134 . 1 . . . A 262 CYS CB . 18142 1 630 . 1 1 59 59 CYS N N 15 121.331 0.067 . 1 . . . A 262 CYS N . 18142 1 631 . 1 1 60 60 LYS H H 1 7.389 0.007 . 1 . . . A 263 LYS H . 18142 1 632 . 1 1 60 60 LYS HA H 1 3.388 0.014 . 1 . . . A 263 LYS HA . 18142 1 633 . 1 1 60 60 LYS HB2 H 1 1.616 0.017 . 2 . . . A 263 LYS HB2 . 18142 1 634 . 1 1 60 60 LYS HB3 H 1 1.616 0.017 . 2 . . . A 263 LYS HB3 . 18142 1 635 . 1 1 60 60 LYS HG2 H 1 1.325 0.018 . 2 . . . A 263 LYS HG2 . 18142 1 636 . 1 1 60 60 LYS HG3 H 1 1.325 0.018 . 2 . . . A 263 LYS HG3 . 18142 1 637 . 1 1 60 60 LYS HD2 H 1 1.667 0.017 . 2 . . . A 263 LYS HD2 . 18142 1 638 . 1 1 60 60 LYS HD3 H 1 1.667 0.017 . 2 . . . A 263 LYS HD3 . 18142 1 639 . 1 1 60 60 LYS HE2 H 1 2.816 0.014 . 2 . . . A 263 LYS HE2 . 18142 1 640 . 1 1 60 60 LYS HE3 H 1 2.816 0.014 . 2 . . . A 263 LYS HE3 . 18142 1 641 . 1 1 60 60 LYS C C 13 177.499 0.018 . 1 . . . A 263 LYS C . 18142 1 642 . 1 1 60 60 LYS CA C 13 57.211 0.112 . 1 . . . A 263 LYS CA . 18142 1 643 . 1 1 60 60 LYS CB C 13 31.819 0.166 . 1 . . . A 263 LYS CB . 18142 1 644 . 1 1 60 60 LYS CG C 13 23.618 0.146 . 1 . . . A 263 LYS CG . 18142 1 645 . 1 1 60 60 LYS N N 15 118.419 0.068 . 1 . . . A 263 LYS N . 18142 1 646 . 1 1 61 61 THR H H 1 7.894 0.011 . 1 . . . A 264 THR H . 18142 1 647 . 1 1 61 61 THR HA H 1 4.389 0.012 . 1 . . . A 264 THR HA . 18142 1 648 . 1 1 61 61 THR HB H 1 3.922 0.010 . 1 . . . A 264 THR HB . 18142 1 649 . 1 1 61 61 THR HG21 H 1 1.074 0.009 . 1 . . . A 264 THR HG21 . 18142 1 650 . 1 1 61 61 THR HG22 H 1 1.074 0.009 . 1 . . . A 264 THR HG22 . 18142 1 651 . 1 1 61 61 THR HG23 H 1 1.074 0.009 . 1 . . . A 264 THR HG23 . 18142 1 652 . 1 1 61 61 THR C C 13 180.560 0.080 . 1 . . . A 264 THR C . 18142 1 653 . 1 1 61 61 THR CA C 13 58.624 0.082 . 1 . . . A 264 THR CA . 18142 1 654 . 1 1 61 61 THR CB C 13 71.649 0.062 . 1 . . . A 264 THR CB . 18142 1 655 . 1 1 61 61 THR CG2 C 13 22.021 0.052 . 1 . . . A 264 THR CG2 . 18142 1 656 . 1 1 61 61 THR N N 15 117.564 0.099 . 1 . . . A 264 THR N . 18142 1 657 . 1 1 62 62 CYS H H 1 8.658 0.012 . 1 . . . A 265 CYS H . 18142 1 658 . 1 1 62 62 CYS HA H 1 3.909 0.015 . 1 . . . A 265 CYS HA . 18142 1 659 . 1 1 62 62 CYS HB2 H 1 3.080 0.016 . 2 . . . A 265 CYS HB2 . 18142 1 660 . 1 1 62 62 CYS HB3 H 1 3.080 0.016 . 2 . . . A 265 CYS HB3 . 18142 1 661 . 1 1 62 62 CYS C C 13 175.325 0.033 . 1 . . . A 265 CYS C . 18142 1 662 . 1 1 62 62 CYS CA C 13 58.449 0.186 . 1 . . . A 265 CYS CA . 18142 1 663 . 1 1 62 62 CYS CB C 13 30.989 0.132 . 1 . . . A 265 CYS CB . 18142 1 664 . 1 1 62 62 CYS N N 15 125.216 0.091 . 1 . . . A 265 CYS N . 18142 1 665 . 1 1 63 63 SER H H 1 8.606 0.007 . 1 . . . A 266 SER H . 18142 1 666 . 1 1 63 63 SER HA H 1 4.088 0.012 . 1 . . . A 266 SER HA . 18142 1 667 . 1 1 63 63 SER HB2 H 1 3.628 0.010 . 2 . . . A 266 SER HB2 . 18142 1 668 . 1 1 63 63 SER HB3 H 1 2.817 0.015 . 2 . . . A 266 SER HB3 . 18142 1 669 . 1 1 63 63 SER C C 13 179.926 0.000 . 1 . . . A 266 SER C . 18142 1 670 . 1 1 63 63 SER CA C 13 62.317 0.144 . 1 . . . A 266 SER CA . 18142 1 671 . 1 1 63 63 SER CB C 13 64.532 0.198 . 1 . . . A 266 SER CB . 18142 1 672 . 1 1 63 63 SER N N 15 125.110 0.055 . 1 . . . A 266 SER N . 18142 1 673 . 1 1 64 64 SER H H 1 8.711 0.008 . 1 . . . A 267 SER H . 18142 1 674 . 1 1 64 64 SER HA H 1 4.789 0.016 . 1 . . . A 267 SER HA . 18142 1 675 . 1 1 64 64 SER HB2 H 1 4.140 0.011 . 2 . . . A 267 SER HB2 . 18142 1 676 . 1 1 64 64 SER HB3 H 1 3.990 0.014 . 2 . . . A 267 SER HB3 . 18142 1 677 . 1 1 64 64 SER C C 13 178.673 0.000 . 1 . . . A 267 SER C . 18142 1 678 . 1 1 64 64 SER CA C 13 59.413 0.146 . 1 . . . A 267 SER CA . 18142 1 679 . 1 1 64 64 SER CB C 13 64.262 0.063 . 1 . . . A 267 SER CB . 18142 1 680 . 1 1 64 64 SER N N 15 117.213 0.084 . 1 . . . A 267 SER N . 18142 1 681 . 1 1 65 65 CYS H H 1 8.218 0.008 . 1 . . . A 268 CYS H . 18142 1 682 . 1 1 65 65 CYS HA H 1 4.379 0.000 . 1 . . . A 268 CYS HA . 18142 1 683 . 1 1 65 65 CYS HB2 H 1 3.159 0.000 . 2 . . . A 268 CYS HB2 . 18142 1 684 . 1 1 65 65 CYS HB3 H 1 3.159 0.000 . 2 . . . A 268 CYS HB3 . 18142 1 685 . 1 1 65 65 CYS CA C 13 59.273 0.000 . 1 . . . A 268 CYS CA . 18142 1 686 . 1 1 65 65 CYS CB C 13 30.931 0.052 . 1 . . . A 268 CYS CB . 18142 1 687 . 1 1 65 65 CYS N N 15 119.141 0.055 . 1 . . . A 268 CYS N . 18142 1 688 . 1 1 66 66 ARG H H 1 7.933 0.014 . 1 . . . A 269 ARG H . 18142 1 689 . 1 1 66 66 ARG HA H 1 4.103 0.012 . 1 . . . A 269 ARG HA . 18142 1 690 . 1 1 66 66 ARG HB2 H 1 1.981 0.013 . 2 . . . A 269 ARG HB2 . 18142 1 691 . 1 1 66 66 ARG HB3 H 1 1.981 0.013 . 2 . . . A 269 ARG HB3 . 18142 1 692 . 1 1 66 66 ARG HG2 H 1 1.488 0.015 . 2 . . . A 269 ARG HG2 . 18142 1 693 . 1 1 66 66 ARG HG3 H 1 1.488 0.015 . 2 . . . A 269 ARG HG3 . 18142 1 694 . 1 1 66 66 ARG HD2 H 1 3.110 0.014 . 2 . . . A 269 ARG HD2 . 18142 1 695 . 1 1 66 66 ARG HD3 H 1 3.110 0.014 . 2 . . . A 269 ARG HD3 . 18142 1 696 . 1 1 66 66 ARG C C 13 178.452 0.000 . 1 . . . A 269 ARG C . 18142 1 697 . 1 1 66 66 ARG CA C 13 56.760 0.041 . 1 . . . A 269 ARG CA . 18142 1 698 . 1 1 66 66 ARG CB C 13 27.905 0.182 . 1 . . . A 269 ARG CB . 18142 1 699 . 1 1 66 66 ARG CD C 13 43.130 0.041 . 1 . . . A 269 ARG CD . 18142 1 700 . 1 1 66 66 ARG N N 15 120.652 0.001 . 1 . . . A 269 ARG N . 18142 1 701 . 1 1 67 67 ASP H H 1 8.327 0.008 . 1 . . . A 270 ASP H . 18142 1 702 . 1 1 67 67 ASP HA H 1 4.778 0.013 . 1 . . . A 270 ASP HA . 18142 1 703 . 1 1 67 67 ASP HB2 H 1 3.015 0.010 . 2 . . . A 270 ASP HB2 . 18142 1 704 . 1 1 67 67 ASP HB3 H 1 2.675 0.020 . 2 . . . A 270 ASP HB3 . 18142 1 705 . 1 1 67 67 ASP C C 13 176.416 0.091 . 1 . . . A 270 ASP C . 18142 1 706 . 1 1 67 67 ASP CA C 13 54.013 0.092 . 1 . . . A 270 ASP CA . 18142 1 707 . 1 1 67 67 ASP CB C 13 42.466 0.092 . 1 . . . A 270 ASP CB . 18142 1 708 . 1 1 67 67 ASP N N 15 120.976 0.103 . 1 . . . A 270 ASP N . 18142 1 709 . 1 1 68 68 GLN H H 1 8.799 0.011 . 1 . . . A 271 GLN H . 18142 1 710 . 1 1 68 68 GLN HA H 1 4.241 0.012 . 1 . . . A 271 GLN HA . 18142 1 711 . 1 1 68 68 GLN HB2 H 1 2.164 0.013 . 2 . . . A 271 GLN HB2 . 18142 1 712 . 1 1 68 68 GLN HB3 H 1 1.977 0.017 . 2 . . . A 271 GLN HB3 . 18142 1 713 . 1 1 68 68 GLN HG2 H 1 2.371 0.010 . 2 . . . A 271 GLN HG2 . 18142 1 714 . 1 1 68 68 GLN HG3 H 1 2.371 0.010 . 2 . . . A 271 GLN HG3 . 18142 1 715 . 1 1 68 68 GLN HE21 H 1 7.435 0.003 . 2 . . . A 271 GLN HE21 . 18142 1 716 . 1 1 68 68 GLN HE22 H 1 6.798 0.005 . 2 . . . A 271 GLN HE22 . 18142 1 717 . 1 1 68 68 GLN C C 13 176.734 0.038 . 1 . . . A 271 GLN C . 18142 1 718 . 1 1 68 68 GLN CA C 13 56.684 0.042 . 1 . . . A 271 GLN CA . 18142 1 719 . 1 1 68 68 GLN CB C 13 29.126 0.041 . 1 . . . A 271 GLN CB . 18142 1 720 . 1 1 68 68 GLN CG C 13 34.230 0.017 . 1 . . . A 271 GLN CG . 18142 1 721 . 1 1 68 68 GLN N N 15 123.917 0.115 . 1 . . . A 271 GLN N . 18142 1 722 . 1 1 68 68 GLN NE2 N 15 112.563 0.056 . 1 . . . A 271 GLN NE2 . 18142 1 723 . 1 1 69 69 GLY H H 1 8.668 0.010 . 1 . . . A 272 GLY H . 18142 1 724 . 1 1 69 69 GLY HA2 H 1 3.985 0.010 . 2 . . . A 272 GLY HA2 . 18142 1 725 . 1 1 69 69 GLY HA3 H 1 3.755 0.018 . 2 . . . A 272 GLY HA3 . 18142 1 726 . 1 1 69 69 GLY C C 13 179.239 0.047 . 1 . . . A 272 GLY C . 18142 1 727 . 1 1 69 69 GLY CA C 13 45.611 0.101 . 1 . . . A 272 GLY CA . 18142 1 728 . 1 1 69 69 GLY N N 15 108.773 0.173 . 1 . . . A 272 GLY N . 18142 1 729 . 1 1 70 70 LYS H H 1 7.737 0.006 . 1 . . . A 273 LYS H . 18142 1 730 . 1 1 70 70 LYS HA H 1 4.752 0.007 . 1 . . . A 273 LYS HA . 18142 1 731 . 1 1 70 70 LYS C C 13 177.129 0.000 . 1 . . . A 273 LYS C . 18142 1 732 . 1 1 70 70 LYS CA C 13 55.910 0.000 . 1 . . . A 273 LYS CA . 18142 1 733 . 1 1 70 70 LYS CB C 13 32.762 0.000 . 1 . . . A 273 LYS CB . 18142 1 734 . 1 1 70 70 LYS N N 15 120.537 0.062 . 1 . . . A 273 LYS N . 18142 1 735 . 1 1 71 71 ASN HA H 1 4.554 0.020 . 1 . . . A 274 ASN HA . 18142 1 736 . 1 1 71 71 ASN HB2 H 1 2.834 0.012 . 2 . . . A 274 ASN HB2 . 18142 1 737 . 1 1 71 71 ASN HB3 H 1 2.834 0.012 . 2 . . . A 274 ASN HB3 . 18142 1 738 . 1 1 71 71 ASN HD21 H 1 7.579 0.004 . 2 . . . A 274 ASN HD21 . 18142 1 739 . 1 1 71 71 ASN HD22 H 1 6.847 0.002 . 2 . . . A 274 ASN HD22 . 18142 1 740 . 1 1 71 71 ASN C C 13 178.244 0.000 . 1 . . . A 274 ASN C . 18142 1 741 . 1 1 71 71 ASN CA C 13 53.598 0.145 . 1 . . . A 274 ASN CA . 18142 1 742 . 1 1 71 71 ASN CB C 13 38.361 0.070 . 1 . . . A 274 ASN CB . 18142 1 743 . 1 1 71 71 ASN ND2 N 15 112.233 0.064 . 1 . . . A 274 ASN ND2 . 18142 1 744 . 1 1 72 72 ALA H H 1 8.436 0.012 . 1 . . . A 275 ALA H . 18142 1 745 . 1 1 72 72 ALA HA H 1 4.346 0.011 . 1 . . . A 275 ALA HA . 18142 1 746 . 1 1 72 72 ALA HB1 H 1 1.399 0.011 . 1 . . . A 275 ALA HB1 . 18142 1 747 . 1 1 72 72 ALA HB2 H 1 1.399 0.011 . 1 . . . A 275 ALA HB2 . 18142 1 748 . 1 1 72 72 ALA HB3 H 1 1.399 0.011 . 1 . . . A 275 ALA HB3 . 18142 1 749 . 1 1 72 72 ALA C C 13 175.867 0.046 . 1 . . . A 275 ALA C . 18142 1 750 . 1 1 72 72 ALA CA C 13 52.631 0.081 . 1 . . . A 275 ALA CA . 18142 1 751 . 1 1 72 72 ALA CB C 13 18.932 0.084 . 1 . . . A 275 ALA CB . 18142 1 752 . 1 1 72 72 ALA N N 15 125.026 0.079 . 1 . . . A 275 ALA N . 18142 1 753 . 1 1 73 73 ASP H H 1 8.329 0.009 . 1 . . . A 276 ASP H . 18142 1 754 . 1 1 73 73 ASP HA H 1 4.486 0.019 . 1 . . . A 276 ASP HA . 18142 1 755 . 1 1 73 73 ASP HB2 H 1 2.645 0.013 . 2 . . . A 276 ASP HB2 . 18142 1 756 . 1 1 73 73 ASP HB3 H 1 2.645 0.013 . 2 . . . A 276 ASP HB3 . 18142 1 757 . 1 1 73 73 ASP C C 13 177.148 0.028 . 1 . . . A 276 ASP C . 18142 1 758 . 1 1 73 73 ASP CA C 13 55.237 0.105 . 1 . . . A 276 ASP CA . 18142 1 759 . 1 1 73 73 ASP CB C 13 40.461 0.103 . 1 . . . A 276 ASP CB . 18142 1 760 . 1 1 73 73 ASP N N 15 119.041 0.052 . 1 . . . A 276 ASP N . 18142 1 761 . 1 1 74 74 ASN H H 1 8.300 0.011 . 1 . . . A 277 ASN H . 18142 1 762 . 1 1 74 74 ASN HA H 1 4.708 0.024 . 1 . . . A 277 ASN HA . 18142 1 763 . 1 1 74 74 ASN HB2 H 1 2.890 0.011 . 2 . . . A 277 ASN HB2 . 18142 1 764 . 1 1 74 74 ASN HB3 H 1 2.890 0.011 . 2 . . . A 277 ASN HB3 . 18142 1 765 . 1 1 74 74 ASN HD21 H 1 7.905 0.006 . 2 . . . A 277 ASN HD21 . 18142 1 766 . 1 1 74 74 ASN HD22 H 1 6.912 0.003 . 2 . . . A 277 ASN HD22 . 18142 1 767 . 1 1 74 74 ASN C C 13 179.306 0.050 . 1 . . . A 277 ASN C . 18142 1 768 . 1 1 74 74 ASN CA C 13 52.664 0.070 . 1 . . . A 277 ASN CA . 18142 1 769 . 1 1 74 74 ASN CB C 13 38.477 0.103 . 1 . . . A 277 ASN CB . 18142 1 770 . 1 1 74 74 ASN N N 15 116.150 0.083 . 1 . . . A 277 ASN N . 18142 1 771 . 1 1 74 74 ASN ND2 N 15 113.301 0.103 . 1 . . . A 277 ASN ND2 . 18142 1 772 . 1 1 75 75 MET H H 1 7.618 0.007 . 1 . . . A 278 MET H . 18142 1 773 . 1 1 75 75 MET HA H 1 4.386 0.014 . 1 . . . A 278 MET HA . 18142 1 774 . 1 1 75 75 MET HB2 H 1 1.634 0.017 . 2 . . . A 278 MET HB2 . 18142 1 775 . 1 1 75 75 MET HB3 H 1 1.474 0.022 . 2 . . . A 278 MET HB3 . 18142 1 776 . 1 1 75 75 MET HG2 H 1 1.903 0.018 . 2 . . . A 278 MET HG2 . 18142 1 777 . 1 1 75 75 MET HG3 H 1 1.903 0.018 . 2 . . . A 278 MET HG3 . 18142 1 778 . 1 1 75 75 MET HE1 H 1 1.704 0.000 . 1 . . . A 278 MET HE1 . 18142 1 779 . 1 1 75 75 MET HE2 H 1 1.704 0.000 . 1 . . . A 278 MET HE2 . 18142 1 780 . 1 1 75 75 MET HE3 H 1 1.704 0.000 . 1 . . . A 278 MET HE3 . 18142 1 781 . 1 1 75 75 MET C C 13 179.724 0.046 . 1 . . . A 278 MET C . 18142 1 782 . 1 1 75 75 MET CA C 13 55.470 0.076 . 1 . . . A 278 MET CA . 18142 1 783 . 1 1 75 75 MET CB C 13 34.682 0.126 . 1 . . . A 278 MET CB . 18142 1 784 . 1 1 75 75 MET N N 15 119.303 0.091 . 1 . . . A 278 MET N . 18142 1 785 . 1 1 76 76 LEU H H 1 8.360 0.007 . 1 . . . A 279 LEU H . 18142 1 786 . 1 1 76 76 LEU HA H 1 4.102 0.017 . 1 . . . A 279 LEU HA . 18142 1 787 . 1 1 76 76 LEU HB2 H 1 0.916 0.018 . 2 . . . A 279 LEU HB2 . 18142 1 788 . 1 1 76 76 LEU HB3 H 1 0.651 0.024 . 2 . . . A 279 LEU HB3 . 18142 1 789 . 1 1 76 76 LEU HD11 H 1 0.092 0.016 . 2 . . . A 279 LEU HD11 . 18142 1 790 . 1 1 76 76 LEU HD12 H 1 0.092 0.016 . 2 . . . A 279 LEU HD12 . 18142 1 791 . 1 1 76 76 LEU HD13 H 1 0.092 0.016 . 2 . . . A 279 LEU HD13 . 18142 1 792 . 1 1 76 76 LEU HD21 H 1 -0.100 0.016 . 2 . . . A 279 LEU HD21 . 18142 1 793 . 1 1 76 76 LEU HD22 H 1 -0.100 0.016 . 2 . . . A 279 LEU HD22 . 18142 1 794 . 1 1 76 76 LEU HD23 H 1 -0.100 0.016 . 2 . . . A 279 LEU HD23 . 18142 1 795 . 1 1 76 76 LEU C C 13 178.970 0.026 . 1 . . . A 279 LEU C . 18142 1 796 . 1 1 76 76 LEU CA C 13 53.491 0.074 . 1 . . . A 279 LEU CA . 18142 1 797 . 1 1 76 76 LEU CB C 13 43.629 0.099 . 1 . . . A 279 LEU CB . 18142 1 798 . 1 1 76 76 LEU CD1 C 13 24.659 0.019 . 2 . . . A 279 LEU CD1 . 18142 1 799 . 1 1 76 76 LEU CD2 C 13 25.882 0.024 . 2 . . . A 279 LEU CD2 . 18142 1 800 . 1 1 76 76 LEU N N 15 125.212 0.115 . 1 . . . A 279 LEU N . 18142 1 801 . 1 1 77 77 PHE H H 1 8.196 0.010 . 1 . . . A 280 PHE H . 18142 1 802 . 1 1 77 77 PHE HA H 1 5.669 0.018 . 1 . . . A 280 PHE HA . 18142 1 803 . 1 1 77 77 PHE HB2 H 1 2.939 0.020 . 2 . . . A 280 PHE HB2 . 18142 1 804 . 1 1 77 77 PHE HB3 H 1 2.939 0.020 . 2 . . . A 280 PHE HB3 . 18142 1 805 . 1 1 77 77 PHE HD1 H 1 7.117 0.017 . 3 . . . A 280 PHE HD1 . 18142 1 806 . 1 1 77 77 PHE HD2 H 1 7.117 0.017 . 3 . . . A 280 PHE HD2 . 18142 1 807 . 1 1 77 77 PHE HE1 H 1 7.258 0.020 . 3 . . . A 280 PHE HE1 . 18142 1 808 . 1 1 77 77 PHE HE2 H 1 7.258 0.020 . 3 . . . A 280 PHE HE2 . 18142 1 809 . 1 1 77 77 PHE C C 13 177.956 0.036 . 1 . . . A 280 PHE C . 18142 1 810 . 1 1 77 77 PHE CA C 13 55.228 0.071 . 1 . . . A 280 PHE CA . 18142 1 811 . 1 1 77 77 PHE CB C 13 40.577 0.061 . 1 . . . A 280 PHE CB . 18142 1 812 . 1 1 77 77 PHE N N 15 117.908 0.066 . 1 . . . A 280 PHE N . 18142 1 813 . 1 1 78 78 CYS H H 1 9.346 0.009 . 1 . . . A 281 CYS H . 18142 1 814 . 1 1 78 78 CYS HA H 1 4.776 0.019 . 1 . . . A 281 CYS HA . 18142 1 815 . 1 1 78 78 CYS HB2 H 1 2.876 0.017 . 2 . . . A 281 CYS HB2 . 18142 1 816 . 1 1 78 78 CYS HB3 H 1 2.876 0.017 . 2 . . . A 281 CYS HB3 . 18142 1 817 . 1 1 78 78 CYS C C 13 174.789 0.052 . 1 . . . A 281 CYS C . 18142 1 818 . 1 1 78 78 CYS CA C 13 59.909 0.059 . 1 . . . A 281 CYS CA . 18142 1 819 . 1 1 78 78 CYS CB C 13 31.958 0.097 . 1 . . . A 281 CYS CB . 18142 1 820 . 1 1 78 78 CYS N N 15 125.155 0.105 . 1 . . . A 281 CYS N . 18142 1 821 . 1 1 79 79 ASP H H 1 9.475 0.008 . 1 . . . A 282 ASP H . 18142 1 822 . 1 1 79 79 ASP HA H 1 4.620 0.019 . 1 . . . A 282 ASP HA . 18142 1 823 . 1 1 79 79 ASP HB2 H 1 2.672 0.015 . 2 . . . A 282 ASP HB2 . 18142 1 824 . 1 1 79 79 ASP HB3 H 1 2.672 0.015 . 2 . . . A 282 ASP HB3 . 18142 1 825 . 1 1 79 79 ASP C C 13 178.276 0.036 . 1 . . . A 282 ASP C . 18142 1 826 . 1 1 79 79 ASP CA C 13 57.913 0.047 . 1 . . . A 282 ASP CA . 18142 1 827 . 1 1 79 79 ASP CB C 13 42.929 0.112 . 1 . . . A 282 ASP CB . 18142 1 828 . 1 1 79 79 ASP N N 15 131.735 0.156 . 1 . . . A 282 ASP N . 18142 1 829 . 1 1 80 80 SER H H 1 9.715 0.007 . 1 . . . A 283 SER H . 18142 1 830 . 1 1 80 80 SER HA H 1 4.612 0.013 . 1 . . . A 283 SER HA . 18142 1 831 . 1 1 80 80 SER HB2 H 1 4.043 0.013 . 2 . . . A 283 SER HB2 . 18142 1 832 . 1 1 80 80 SER HB3 H 1 3.803 0.015 . 2 . . . A 283 SER HB3 . 18142 1 833 . 1 1 80 80 SER C C 13 178.316 0.000 . 1 . . . A 283 SER C . 18142 1 834 . 1 1 80 80 SER CA C 13 59.403 0.107 . 1 . . . A 283 SER CA . 18142 1 835 . 1 1 80 80 SER CB C 13 63.466 0.050 . 1 . . . A 283 SER CB . 18142 1 836 . 1 1 80 80 SER N N 15 116.429 0.058 . 1 . . . A 283 SER N . 18142 1 837 . 1 1 81 81 CYS H H 1 8.070 0.008 . 1 . . . A 284 CYS H . 18142 1 838 . 1 1 81 81 CYS HA H 1 4.647 0.019 . 1 . . . A 284 CYS HA . 18142 1 839 . 1 1 81 81 CYS HB2 H 1 3.046 0.007 . 2 . . . A 284 CYS HB2 . 18142 1 840 . 1 1 81 81 CYS HB3 H 1 2.265 0.016 . 2 . . . A 284 CYS HB3 . 18142 1 841 . 1 1 81 81 CYS C C 13 179.797 0.037 . 1 . . . A 284 CYS C . 18142 1 842 . 1 1 81 81 CYS CA C 13 58.682 0.168 . 1 . . . A 284 CYS CA . 18142 1 843 . 1 1 81 81 CYS CB C 13 33.336 0.094 . 1 . . . A 284 CYS CB . 18142 1 844 . 1 1 81 81 CYS N N 15 118.698 0.086 . 1 . . . A 284 CYS N . 18142 1 845 . 1 1 82 82 ASP H H 1 8.112 0.008 . 1 . . . A 285 ASP H . 18142 1 846 . 1 1 82 82 ASP HA H 1 4.755 0.011 . 1 . . . A 285 ASP HA . 18142 1 847 . 1 1 82 82 ASP HB2 H 1 3.113 0.016 . 2 . . . A 285 ASP HB2 . 18142 1 848 . 1 1 82 82 ASP HB3 H 1 2.136 0.018 . 2 . . . A 285 ASP HB3 . 18142 1 849 . 1 1 82 82 ASP C C 13 178.127 0.030 . 1 . . . A 285 ASP C . 18142 1 850 . 1 1 82 82 ASP CA C 13 57.283 0.057 . 1 . . . A 285 ASP CA . 18142 1 851 . 1 1 82 82 ASP CB C 13 45.137 0.089 . 1 . . . A 285 ASP CB . 18142 1 852 . 1 1 82 82 ASP N N 15 120.561 0.094 . 1 . . . A 285 ASP N . 18142 1 853 . 1 1 83 83 ARG H H 1 8.916 0.007 . 1 . . . A 286 ARG H . 18142 1 854 . 1 1 83 83 ARG HA H 1 4.041 0.007 . 1 . . . A 286 ARG HA . 18142 1 855 . 1 1 83 83 ARG HB2 H 1 1.878 0.001 . 2 . . . A 286 ARG HB2 . 18142 1 856 . 1 1 83 83 ARG HB3 H 1 1.878 0.001 . 2 . . . A 286 ARG HB3 . 18142 1 857 . 1 1 83 83 ARG HG2 H 1 1.537 0.000 . 2 . . . A 286 ARG HG2 . 18142 1 858 . 1 1 83 83 ARG HG3 H 1 1.537 0.000 . 2 . . . A 286 ARG HG3 . 18142 1 859 . 1 1 83 83 ARG C C 13 177.351 0.030 . 1 . . . A 286 ARG C . 18142 1 860 . 1 1 83 83 ARG CA C 13 58.666 0.165 . 1 . . . A 286 ARG CA . 18142 1 861 . 1 1 83 83 ARG CB C 13 31.591 0.135 . 1 . . . A 286 ARG CB . 18142 1 862 . 1 1 83 83 ARG N N 15 119.824 0.157 . 1 . . . A 286 ARG N . 18142 1 863 . 1 1 84 84 GLY H H 1 9.056 0.009 . 1 . . . A 287 GLY H . 18142 1 864 . 1 1 84 84 GLY HA2 H 1 5.379 0.019 . 2 . . . A 287 GLY HA2 . 18142 1 865 . 1 1 84 84 GLY HA3 H 1 2.892 0.010 . 2 . . . A 287 GLY HA3 . 18142 1 866 . 1 1 84 84 GLY C C 13 181.046 0.057 . 1 . . . A 287 GLY C . 18142 1 867 . 1 1 84 84 GLY CA C 13 44.108 0.063 . 1 . . . A 287 GLY CA . 18142 1 868 . 1 1 84 84 GLY N N 15 106.136 0.202 . 1 . . . A 287 GLY N . 18142 1 869 . 1 1 85 85 PHE H H 1 8.705 0.005 . 1 . . . A 288 PHE H . 18142 1 870 . 1 1 85 85 PHE HA H 1 5.474 0.018 . 1 . . . A 288 PHE HA . 18142 1 871 . 1 1 85 85 PHE HB2 H 1 2.863 0.017 . 2 . . . A 288 PHE HB2 . 18142 1 872 . 1 1 85 85 PHE HB3 H 1 2.453 0.020 . 2 . . . A 288 PHE HB3 . 18142 1 873 . 1 1 85 85 PHE HD1 H 1 7.180 0.011 . 3 . . . A 288 PHE HD1 . 18142 1 874 . 1 1 85 85 PHE HD2 H 1 7.180 0.011 . 3 . . . A 288 PHE HD2 . 18142 1 875 . 1 1 85 85 PHE HE1 H 1 7.226 0.017 . 3 . . . A 288 PHE HE1 . 18142 1 876 . 1 1 85 85 PHE HE2 H 1 7.226 0.017 . 3 . . . A 288 PHE HE2 . 18142 1 877 . 1 1 85 85 PHE C C 13 177.169 0.003 . 1 . . . A 288 PHE C . 18142 1 878 . 1 1 85 85 PHE CA C 13 56.048 0.056 . 1 . . . A 288 PHE CA . 18142 1 879 . 1 1 85 85 PHE CB C 13 44.719 0.100 . 1 . . . A 288 PHE CB . 18142 1 880 . 1 1 85 85 PHE N N 15 119.000 0.068 . 1 . . . A 288 PHE N . 18142 1 881 . 1 1 86 86 HIS H H 1 8.755 0.008 . 1 . . . A 289 HIS H . 18142 1 882 . 1 1 86 86 HIS HA H 1 4.661 0.018 . 1 . . . A 289 HIS HA . 18142 1 883 . 1 1 86 86 HIS HB2 H 1 3.906 0.021 . 2 . . . A 289 HIS HB2 . 18142 1 884 . 1 1 86 86 HIS HB3 H 1 3.465 0.015 . 2 . . . A 289 HIS HB3 . 18142 1 885 . 1 1 86 86 HIS HD2 H 1 7.154 0.013 . 1 . . . A 289 HIS HD2 . 18142 1 886 . 1 1 86 86 HIS HE1 H 1 7.618 0.006 . 1 . . . A 289 HIS HE1 . 18142 1 887 . 1 1 86 86 HIS C C 13 175.027 0.039 . 1 . . . A 289 HIS C . 18142 1 888 . 1 1 86 86 HIS CA C 13 58.441 0.043 . 1 . . . A 289 HIS CA . 18142 1 889 . 1 1 86 86 HIS CB C 13 30.009 0.075 . 1 . . . A 289 HIS CB . 18142 1 890 . 1 1 86 86 HIS N N 15 122.062 0.097 . 1 . . . A 289 HIS N . 18142 1 891 . 1 1 87 87 MET H H 1 8.946 0.009 . 1 . . . A 290 MET H . 18142 1 892 . 1 1 87 87 MET HA H 1 3.849 0.013 . 1 . . . A 290 MET HA . 18142 1 893 . 1 1 87 87 MET HB2 H 1 2.164 0.013 . 2 . . . A 290 MET HB2 . 18142 1 894 . 1 1 87 87 MET HB3 H 1 1.946 0.014 . 2 . . . A 290 MET HB3 . 18142 1 895 . 1 1 87 87 MET HG2 H 1 2.511 0.018 . 2 . . . A 290 MET HG2 . 18142 1 896 . 1 1 87 87 MET HG3 H 1 2.511 0.018 . 2 . . . A 290 MET HG3 . 18142 1 897 . 1 1 87 87 MET HE1 H 1 1.429 0.013 . 1 . . . A 290 MET HE1 . 18142 1 898 . 1 1 87 87 MET HE2 H 1 1.429 0.013 . 1 . . . A 290 MET HE2 . 18142 1 899 . 1 1 87 87 MET HE3 H 1 1.429 0.013 . 1 . . . A 290 MET HE3 . 18142 1 900 . 1 1 87 87 MET C C 13 174.913 0.036 . 1 . . . A 290 MET C . 18142 1 901 . 1 1 87 87 MET CA C 13 61.039 0.056 . 1 . . . A 290 MET CA . 18142 1 902 . 1 1 87 87 MET CB C 13 32.635 0.112 . 1 . . . A 290 MET CB . 18142 1 903 . 1 1 87 87 MET CG C 13 32.581 0.039 . 1 . . . A 290 MET CG . 18142 1 904 . 1 1 87 87 MET N N 15 124.713 0.088 . 1 . . . A 290 MET N . 18142 1 905 . 1 1 88 88 GLU H H 1 9.868 0.010 . 1 . . . A 291 GLU H . 18142 1 906 . 1 1 88 88 GLU HA H 1 4.237 0.014 . 1 . . . A 291 GLU HA . 18142 1 907 . 1 1 88 88 GLU HB2 H 1 2.105 0.015 . 2 . . . A 291 GLU HB2 . 18142 1 908 . 1 1 88 88 GLU HB3 H 1 2.105 0.015 . 2 . . . A 291 GLU HB3 . 18142 1 909 . 1 1 88 88 GLU HG2 H 1 2.484 0.022 . 2 . . . A 291 GLU HG2 . 18142 1 910 . 1 1 88 88 GLU HG3 H 1 2.354 0.012 . 2 . . . A 291 GLU HG3 . 18142 1 911 . 1 1 88 88 GLU C C 13 176.818 0.003 . 1 . . . A 291 GLU C . 18142 1 912 . 1 1 88 88 GLU CA C 13 58.340 0.070 . 1 . . . A 291 GLU CA . 18142 1 913 . 1 1 88 88 GLU CB C 13 28.537 0.210 . 1 . . . A 291 GLU CB . 18142 1 914 . 1 1 88 88 GLU CG C 13 36.431 0.106 . 1 . . . A 291 GLU CG . 18142 1 915 . 1 1 88 88 GLU N N 15 115.775 0.093 . 1 . . . A 291 GLU N . 18142 1 916 . 1 1 89 89 CYS H H 1 7.795 0.008 . 1 . . . A 292 CYS H . 18142 1 917 . 1 1 89 89 CYS HA H 1 4.378 0.003 . 1 . . . A 292 CYS HA . 18142 1 918 . 1 1 89 89 CYS HB2 H 1 3.448 0.012 . 2 . . . A 292 CYS HB2 . 18142 1 919 . 1 1 89 89 CYS HB3 H 1 3.107 0.016 . 2 . . . A 292 CYS HB3 . 18142 1 920 . 1 1 89 89 CYS C C 13 177.626 0.005 . 1 . . . A 292 CYS C . 18142 1 921 . 1 1 89 89 CYS CA C 13 60.264 0.060 . 1 . . . A 292 CYS CA . 18142 1 922 . 1 1 89 89 CYS CB C 13 30.836 0.141 . 1 . . . A 292 CYS CB . 18142 1 923 . 1 1 89 89 CYS N N 15 118.568 0.099 . 1 . . . A 292 CYS N . 18142 1 924 . 1 1 90 90 CYS H H 1 6.903 0.007 . 1 . . . A 293 CYS H . 18142 1 925 . 1 1 90 90 CYS HA H 1 4.213 0.013 . 1 . . . A 293 CYS HA . 18142 1 926 . 1 1 90 90 CYS HB2 H 1 3.009 0.015 . 2 . . . A 293 CYS HB2 . 18142 1 927 . 1 1 90 90 CYS HB3 H 1 2.732 0.010 . 2 . . . A 293 CYS HB3 . 18142 1 928 . 1 1 90 90 CYS C C 13 181.398 0.040 . 1 . . . A 293 CYS C . 18142 1 929 . 1 1 90 90 CYS CA C 13 61.151 0.103 . 1 . . . A 293 CYS CA . 18142 1 930 . 1 1 90 90 CYS CB C 13 29.148 0.042 . 1 . . . A 293 CYS CB . 18142 1 931 . 1 1 90 90 CYS N N 15 119.120 0.033 . 1 . . . A 293 CYS N . 18142 1 932 . 1 1 91 91 ASP H H 1 7.886 0.014 . 1 . . . A 294 ASP H . 18142 1 933 . 1 1 91 91 ASP HA H 1 4.904 0.013 . 1 . . . A 294 ASP HA . 18142 1 934 . 1 1 91 91 ASP HB2 H 1 2.658 0.008 . 2 . . . A 294 ASP HB2 . 18142 1 935 . 1 1 91 91 ASP HB3 H 1 2.384 0.008 . 2 . . . A 294 ASP HB3 . 18142 1 936 . 1 1 91 91 ASP CA C 13 50.151 0.049 . 1 . . . A 294 ASP CA . 18142 1 937 . 1 1 91 91 ASP CB C 13 43.224 0.054 . 1 . . . A 294 ASP CB . 18142 1 938 . 1 1 91 91 ASP N N 15 119.087 0.035 . 1 . . . A 294 ASP N . 18142 1 939 . 1 1 92 92 PRO HA H 1 5.148 0.010 . 1 . . . A 295 PRO HA . 18142 1 940 . 1 1 92 92 PRO HB2 H 1 2.400 0.014 . 2 . . . A 295 PRO HB2 . 18142 1 941 . 1 1 92 92 PRO HB3 H 1 2.400 0.014 . 2 . . . A 295 PRO HB3 . 18142 1 942 . 1 1 92 92 PRO HG2 H 1 2.030 0.000 . 2 . . . A 295 PRO HG2 . 18142 1 943 . 1 1 92 92 PRO HG3 H 1 2.030 0.000 . 2 . . . A 295 PRO HG3 . 18142 1 944 . 1 1 92 92 PRO HD2 H 1 3.819 0.011 . 2 . . . A 295 PRO HD2 . 18142 1 945 . 1 1 92 92 PRO HD3 H 1 3.819 0.011 . 2 . . . A 295 PRO HD3 . 18142 1 946 . 1 1 92 92 PRO CA C 13 62.306 0.034 . 1 . . . A 295 PRO CA . 18142 1 947 . 1 1 92 92 PRO CB C 13 32.939 0.043 . 1 . . . A 295 PRO CB . 18142 1 948 . 1 1 92 92 PRO CD C 13 50.169 0.072 . 1 . . . A 295 PRO CD . 18142 1 949 . 1 1 93 93 PRO HA H 1 4.203 0.017 . 1 . . . A 296 PRO HA . 18142 1 950 . 1 1 93 93 PRO HB2 H 1 2.223 0.015 . 2 . . . A 296 PRO HB2 . 18142 1 951 . 1 1 93 93 PRO HB3 H 1 1.747 0.016 . 2 . . . A 296 PRO HB3 . 18142 1 952 . 1 1 93 93 PRO HG2 H 1 2.036 0.013 . 2 . . . A 296 PRO HG2 . 18142 1 953 . 1 1 93 93 PRO HG3 H 1 2.036 0.013 . 2 . . . A 296 PRO HG3 . 18142 1 954 . 1 1 93 93 PRO HD2 H 1 3.591 0.026 . 2 . . . A 296 PRO HD2 . 18142 1 955 . 1 1 93 93 PRO HD3 H 1 3.591 0.026 . 2 . . . A 296 PRO HD3 . 18142 1 956 . 1 1 93 93 PRO C C 13 176.442 0.000 . 1 . . . A 296 PRO C . 18142 1 957 . 1 1 93 93 PRO CA C 13 63.385 0.058 . 1 . . . A 296 PRO CA . 18142 1 958 . 1 1 93 93 PRO CB C 13 32.020 0.113 . 1 . . . A 296 PRO CB . 18142 1 959 . 1 1 93 93 PRO CG C 13 27.934 0.148 . 1 . . . A 296 PRO CG . 18142 1 960 . 1 1 93 93 PRO CD C 13 50.171 0.122 . 1 . . . A 296 PRO CD . 18142 1 961 . 1 1 94 94 LEU H H 1 7.748 0.008 . 1 . . . A 297 LEU H . 18142 1 962 . 1 1 94 94 LEU HA H 1 4.633 0.013 . 1 . . . A 297 LEU HA . 18142 1 963 . 1 1 94 94 LEU HB2 H 1 1.490 0.017 . 2 . . . A 297 LEU HB2 . 18142 1 964 . 1 1 94 94 LEU HB3 H 1 1.450 0.009 . 2 . . . A 297 LEU HB3 . 18142 1 965 . 1 1 94 94 LEU HG H 1 1.742 0.013 . 1 . . . A 297 LEU HG . 18142 1 966 . 1 1 94 94 LEU HD11 H 1 0.866 0.014 . 2 . . . A 297 LEU HD11 . 18142 1 967 . 1 1 94 94 LEU HD12 H 1 0.866 0.014 . 2 . . . A 297 LEU HD12 . 18142 1 968 . 1 1 94 94 LEU HD13 H 1 0.866 0.014 . 2 . . . A 297 LEU HD13 . 18142 1 969 . 1 1 94 94 LEU HD21 H 1 0.733 0.011 . 2 . . . A 297 LEU HD21 . 18142 1 970 . 1 1 94 94 LEU HD22 H 1 0.733 0.011 . 2 . . . A 297 LEU HD22 . 18142 1 971 . 1 1 94 94 LEU HD23 H 1 0.733 0.011 . 2 . . . A 297 LEU HD23 . 18142 1 972 . 1 1 94 94 LEU C C 13 176.489 0.000 . 1 . . . A 297 LEU C . 18142 1 973 . 1 1 94 94 LEU CA C 13 53.747 0.026 . 1 . . . A 297 LEU CA . 18142 1 974 . 1 1 94 94 LEU CB C 13 44.388 0.074 . 1 . . . A 297 LEU CB . 18142 1 975 . 1 1 94 94 LEU CG C 13 27.402 0.111 . 1 . . . A 297 LEU CG . 18142 1 976 . 1 1 94 94 LEU CD1 C 13 23.562 0.038 . 2 . . . A 297 LEU CD1 . 18142 1 977 . 1 1 94 94 LEU CD2 C 13 26.586 0.032 . 2 . . . A 297 LEU CD2 . 18142 1 978 . 1 1 94 94 LEU N N 15 122.426 0.058 . 1 . . . A 297 LEU N . 18142 1 979 . 1 1 95 95 THR HA H 1 4.311 0.019 . 1 . . . A 298 THR HA . 18142 1 980 . 1 1 95 95 THR HB H 1 4.302 0.010 . 1 . . . A 298 THR HB . 18142 1 981 . 1 1 95 95 THR HG21 H 1 1.103 0.012 . 1 . . . A 298 THR HG21 . 18142 1 982 . 1 1 95 95 THR HG22 H 1 1.103 0.012 . 1 . . . A 298 THR HG22 . 18142 1 983 . 1 1 95 95 THR HG23 H 1 1.103 0.012 . 1 . . . A 298 THR HG23 . 18142 1 984 . 1 1 95 95 THR C C 13 179.279 0.000 . 1 . . . A 298 THR C . 18142 1 985 . 1 1 95 95 THR CA C 13 61.422 0.049 . 1 . . . A 298 THR CA . 18142 1 986 . 1 1 95 95 THR CB C 13 69.485 0.041 . 1 . . . A 298 THR CB . 18142 1 987 . 1 1 95 95 THR CG2 C 13 21.633 0.152 . 1 . . . A 298 THR CG2 . 18142 1 988 . 1 1 96 96 ARG H H 1 7.386 0.009 . 1 . . . A 299 ARG H . 18142 1 989 . 1 1 96 96 ARG HA H 1 4.409 0.013 . 1 . . . A 299 ARG HA . 18142 1 990 . 1 1 96 96 ARG HB2 H 1 1.755 0.013 . 2 . . . A 299 ARG HB2 . 18142 1 991 . 1 1 96 96 ARG HB3 H 1 1.628 0.009 . 2 . . . A 299 ARG HB3 . 18142 1 992 . 1 1 96 96 ARG HG2 H 1 1.478 0.018 . 2 . . . A 299 ARG HG2 . 18142 1 993 . 1 1 96 96 ARG HG3 H 1 1.478 0.018 . 2 . . . A 299 ARG HG3 . 18142 1 994 . 1 1 96 96 ARG HD2 H 1 3.142 0.021 . 2 . . . A 299 ARG HD2 . 18142 1 995 . 1 1 96 96 ARG HD3 H 1 3.142 0.021 . 2 . . . A 299 ARG HD3 . 18142 1 996 . 1 1 96 96 ARG C C 13 178.617 0.051 . 1 . . . A 299 ARG C . 18142 1 997 . 1 1 96 96 ARG CA C 13 54.247 0.113 . 1 . . . A 299 ARG CA . 18142 1 998 . 1 1 96 96 ARG CB C 13 32.795 0.093 . 1 . . . A 299 ARG CB . 18142 1 999 . 1 1 96 96 ARG CG C 13 26.131 0.090 . 1 . . . A 299 ARG CG . 18142 1 1000 . 1 1 96 96 ARG CD C 13 43.221 0.055 . 1 . . . A 299 ARG CD . 18142 1 1001 . 1 1 96 96 ARG N N 15 119.963 0.042 . 1 . . . A 299 ARG N . 18142 1 1002 . 1 1 97 97 MET H H 1 8.747 0.010 . 1 . . . A 300 MET H . 18142 1 1003 . 1 1 97 97 MET HA H 1 4.425 0.008 . 1 . . . A 300 MET HA . 18142 1 1004 . 1 1 97 97 MET HB2 H 1 1.938 0.007 . 2 . . . A 300 MET HB2 . 18142 1 1005 . 1 1 97 97 MET HB3 H 1 1.938 0.007 . 2 . . . A 300 MET HB3 . 18142 1 1006 . 1 1 97 97 MET HG2 H 1 2.614 0.002 . 2 . . . A 300 MET HG2 . 18142 1 1007 . 1 1 97 97 MET HG3 H 1 2.566 0.002 . 2 . . . A 300 MET HG3 . 18142 1 1008 . 1 1 97 97 MET C C 13 178.876 0.000 . 1 . . . A 300 MET C . 18142 1 1009 . 1 1 97 97 MET CA C 13 53.493 0.079 . 1 . . . A 300 MET CA . 18142 1 1010 . 1 1 97 97 MET CB C 13 31.377 0.123 . 1 . . . A 300 MET CB . 18142 1 1011 . 1 1 97 97 MET N N 15 123.915 0.072 . 1 . . . A 300 MET N . 18142 1 1012 . 1 1 98 98 PRO HA H 1 4.413 0.012 . 1 . . . A 301 PRO HA . 18142 1 1013 . 1 1 98 98 PRO HB2 H 1 2.233 0.008 . 2 . . . A 301 PRO HB2 . 18142 1 1014 . 1 1 98 98 PRO HB3 H 1 1.725 0.012 . 2 . . . A 301 PRO HB3 . 18142 1 1015 . 1 1 98 98 PRO HG2 H 1 1.957 0.008 . 2 . . . A 301 PRO HG2 . 18142 1 1016 . 1 1 98 98 PRO HG3 H 1 1.957 0.008 . 2 . . . A 301 PRO HG3 . 18142 1 1017 . 1 1 98 98 PRO HD2 H 1 3.769 0.013 . 2 . . . A 301 PRO HD2 . 18142 1 1018 . 1 1 98 98 PRO HD3 H 1 3.632 0.015 . 2 . . . A 301 PRO HD3 . 18142 1 1019 . 1 1 98 98 PRO C C 13 177.053 0.000 . 1 . . . A 301 PRO C . 18142 1 1020 . 1 1 98 98 PRO CA C 13 62.852 0.071 . 1 . . . A 301 PRO CA . 18142 1 1021 . 1 1 98 98 PRO CB C 13 32.085 0.064 . 1 . . . A 301 PRO CB . 18142 1 1022 . 1 1 98 98 PRO CG C 13 27.255 0.129 . 1 . . . A 301 PRO CG . 18142 1 1023 . 1 1 98 98 PRO CD C 13 50.671 0.107 . 1 . . . A 301 PRO CD . 18142 1 1024 . 1 1 99 99 LYS H H 1 8.439 0.022 . 1 . . . A 302 LYS H . 18142 1 1025 . 1 1 99 99 LYS HA H 1 4.403 0.016 . 1 . . . A 302 LYS HA . 18142 1 1026 . 1 1 99 99 LYS HB2 H 1 1.781 0.023 . 2 . . . A 302 LYS HB2 . 18142 1 1027 . 1 1 99 99 LYS HB3 H 1 1.781 0.023 . 2 . . . A 302 LYS HB3 . 18142 1 1028 . 1 1 99 99 LYS HG2 H 1 1.405 0.014 . 2 . . . A 302 LYS HG2 . 18142 1 1029 . 1 1 99 99 LYS HG3 H 1 1.405 0.014 . 2 . . . A 302 LYS HG3 . 18142 1 1030 . 1 1 99 99 LYS HD2 H 1 1.664 0.014 . 2 . . . A 302 LYS HD2 . 18142 1 1031 . 1 1 99 99 LYS HD3 H 1 1.664 0.014 . 2 . . . A 302 LYS HD3 . 18142 1 1032 . 1 1 99 99 LYS HE2 H 1 2.957 0.013 . 2 . . . A 302 LYS HE2 . 18142 1 1033 . 1 1 99 99 LYS HE3 H 1 2.957 0.013 . 2 . . . A 302 LYS HE3 . 18142 1 1034 . 1 1 99 99 LYS C C 13 176.428 0.000 . 1 . . . A 302 LYS C . 18142 1 1035 . 1 1 99 99 LYS CA C 13 55.624 0.059 . 1 . . . A 302 LYS CA . 18142 1 1036 . 1 1 99 99 LYS CB C 13 32.934 0.136 . 1 . . . A 302 LYS CB . 18142 1 1037 . 1 1 99 99 LYS CG C 13 24.729 0.119 . 1 . . . A 302 LYS CG . 18142 1 1038 . 1 1 99 99 LYS CD C 13 28.900 0.061 . 1 . . . A 302 LYS CD . 18142 1 1039 . 1 1 99 99 LYS CE C 13 41.968 0.149 . 1 . . . A 302 LYS CE . 18142 1 1040 . 1 1 99 99 LYS N N 15 121.496 0.102 . 1 . . . A 302 LYS N . 18142 1 1041 . 1 1 100 100 GLY H H 1 8.246 0.013 . 1 . . . A 303 GLY H . 18142 1 1042 . 1 1 100 100 GLY HA2 H 1 3.974 0.017 . 2 . . . A 303 GLY HA2 . 18142 1 1043 . 1 1 100 100 GLY HA3 H 1 3.974 0.017 . 2 . . . A 303 GLY HA3 . 18142 1 1044 . 1 1 100 100 GLY C C 13 180.490 0.047 . 1 . . . A 303 GLY C . 18142 1 1045 . 1 1 100 100 GLY CA C 13 44.422 0.049 . 1 . . . A 303 GLY CA . 18142 1 1046 . 1 1 100 100 GLY N N 15 110.749 0.168 . 1 . . . A 303 GLY N . 18142 1 1047 . 1 1 101 101 MET H H 1 8.264 0.015 . 1 . . . A 304 MET H . 18142 1 1048 . 1 1 101 101 MET HA H 1 4.424 0.018 . 1 . . . A 304 MET HA . 18142 1 1049 . 1 1 101 101 MET HB2 H 1 2.025 0.011 . 2 . . . A 304 MET HB2 . 18142 1 1050 . 1 1 101 101 MET HB3 H 1 1.953 0.009 . 2 . . . A 304 MET HB3 . 18142 1 1051 . 1 1 101 101 MET HG2 H 1 2.580 0.020 . 2 . . . A 304 MET HG2 . 18142 1 1052 . 1 1 101 101 MET HG3 H 1 2.462 0.012 . 2 . . . A 304 MET HG3 . 18142 1 1053 . 1 1 101 101 MET C C 13 177.863 0.048 . 1 . . . A 304 MET C . 18142 1 1054 . 1 1 101 101 MET CA C 13 56.367 0.045 . 1 . . . A 304 MET CA . 18142 1 1055 . 1 1 101 101 MET CB C 13 33.525 0.126 . 1 . . . A 304 MET CB . 18142 1 1056 . 1 1 101 101 MET CG C 13 31.859 0.140 . 1 . . . A 304 MET CG . 18142 1 1057 . 1 1 101 101 MET N N 15 120.938 0.065 . 1 . . . A 304 MET N . 18142 1 1058 . 1 1 102 102 TRP H H 1 9.555 0.008 . 1 . . . A 305 TRP H . 18142 1 1059 . 1 1 102 102 TRP HA H 1 4.562 0.015 . 1 . . . A 305 TRP HA . 18142 1 1060 . 1 1 102 102 TRP HB2 H 1 3.329 0.016 . 2 . . . A 305 TRP HB2 . 18142 1 1061 . 1 1 102 102 TRP HB3 H 1 2.893 0.010 . 2 . . . A 305 TRP HB3 . 18142 1 1062 . 1 1 102 102 TRP HD1 H 1 7.213 0.012 . 1 . . . A 305 TRP HD1 . 18142 1 1063 . 1 1 102 102 TRP HE1 H 1 9.666 0.002 . 1 . . . A 305 TRP HE1 . 18142 1 1064 . 1 1 102 102 TRP HE3 H 1 7.305 0.014 . 1 . . . A 305 TRP HE3 . 18142 1 1065 . 1 1 102 102 TRP HZ3 H 1 6.680 0.008 . 1 . . . A 305 TRP HZ3 . 18142 1 1066 . 1 1 102 102 TRP HH2 H 1 6.371 0.003 . 1 . . . A 305 TRP HH2 . 18142 1 1067 . 1 1 102 102 TRP C C 13 180.941 0.040 . 1 . . . A 305 TRP C . 18142 1 1068 . 1 1 102 102 TRP CA C 13 59.611 0.068 . 1 . . . A 305 TRP CA . 18142 1 1069 . 1 1 102 102 TRP CB C 13 30.463 0.135 . 1 . . . A 305 TRP CB . 18142 1 1070 . 1 1 102 102 TRP N N 15 128.836 0.131 . 1 . . . A 305 TRP N . 18142 1 1071 . 1 1 102 102 TRP NE1 N 15 128.289 0.070 . 1 . . . A 305 TRP NE1 . 18142 1 1072 . 1 1 103 103 ILE H H 1 6.871 0.009 . 1 . . . A 306 ILE H . 18142 1 1073 . 1 1 103 103 ILE HA H 1 4.768 0.014 . 1 . . . A 306 ILE HA . 18142 1 1074 . 1 1 103 103 ILE HB H 1 1.287 0.023 . 1 . . . A 306 ILE HB . 18142 1 1075 . 1 1 103 103 ILE HG12 H 1 1.017 0.014 . 2 . . . A 306 ILE HG12 . 18142 1 1076 . 1 1 103 103 ILE HG13 H 1 1.017 0.014 . 2 . . . A 306 ILE HG13 . 18142 1 1077 . 1 1 103 103 ILE HG21 H 1 0.740 0.016 . 1 . . . A 306 ILE HG21 . 18142 1 1078 . 1 1 103 103 ILE HG22 H 1 0.740 0.016 . 1 . . . A 306 ILE HG22 . 18142 1 1079 . 1 1 103 103 ILE HG23 H 1 0.740 0.016 . 1 . . . A 306 ILE HG23 . 18142 1 1080 . 1 1 103 103 ILE HD11 H 1 0.698 0.008 . 1 . . . A 306 ILE HD11 . 18142 1 1081 . 1 1 103 103 ILE HD12 H 1 0.698 0.008 . 1 . . . A 306 ILE HD12 . 18142 1 1082 . 1 1 103 103 ILE HD13 H 1 0.698 0.008 . 1 . . . A 306 ILE HD13 . 18142 1 1083 . 1 1 103 103 ILE C C 13 178.370 0.046 . 1 . . . A 306 ILE C . 18142 1 1084 . 1 1 103 103 ILE CA C 13 57.668 0.075 . 1 . . . A 306 ILE CA . 18142 1 1085 . 1 1 103 103 ILE CB C 13 39.435 0.114 . 1 . . . A 306 ILE CB . 18142 1 1086 . 1 1 103 103 ILE CG1 C 13 27.163 0.148 . 1 . . . A 306 ILE CG1 . 18142 1 1087 . 1 1 103 103 ILE CG2 C 13 18.811 0.067 . 1 . . . A 306 ILE CG2 . 18142 1 1088 . 1 1 103 103 ILE CD1 C 13 12.446 0.055 . 1 . . . A 306 ILE CD1 . 18142 1 1089 . 1 1 103 103 ILE N N 15 126.194 0.127 . 1 . . . A 306 ILE N . 18142 1 1090 . 1 1 104 104 CYS H H 1 9.208 0.008 . 1 . . . A 307 CYS H . 18142 1 1091 . 1 1 104 104 CYS HA H 1 3.361 0.012 . 1 . . . A 307 CYS HA . 18142 1 1092 . 1 1 104 104 CYS HB2 H 1 2.725 0.016 . 2 . . . A 307 CYS HB2 . 18142 1 1093 . 1 1 104 104 CYS HB3 H 1 2.340 0.015 . 2 . . . A 307 CYS HB3 . 18142 1 1094 . 1 1 104 104 CYS C C 13 178.670 0.064 . 1 . . . A 307 CYS C . 18142 1 1095 . 1 1 104 104 CYS CA C 13 57.976 0.040 . 1 . . . A 307 CYS CA . 18142 1 1096 . 1 1 104 104 CYS CB C 13 34.859 0.144 . 1 . . . A 307 CYS CB . 18142 1 1097 . 1 1 104 104 CYS N N 15 132.227 0.199 . 1 . . . A 307 CYS N . 18142 1 1098 . 1 1 105 105 GLN H H 1 7.881 0.009 . 1 . . . A 308 GLN H . 18142 1 1099 . 1 1 105 105 GLN HA H 1 3.946 0.016 . 1 . . . A 308 GLN HA . 18142 1 1100 . 1 1 105 105 GLN HB2 H 1 2.130 0.033 . 1 . . . A 308 GLN HB2 . 18142 1 1101 . 1 1 105 105 GLN HB3 H 1 2.130 0.033 . 1 . . . A 308 GLN HB3 . 18142 1 1102 . 1 1 105 105 GLN HG2 H 1 2.410 0.021 . 2 . . . A 308 GLN HG2 . 18142 1 1103 . 1 1 105 105 GLN HG3 H 1 2.410 0.021 . 2 . . . A 308 GLN HG3 . 18142 1 1104 . 1 1 105 105 GLN HE21 H 1 7.750 0.005 . 2 . . . A 308 GLN HE21 . 18142 1 1105 . 1 1 105 105 GLN HE22 H 1 6.921 0.003 . 2 . . . A 308 GLN HE22 . 18142 1 1106 . 1 1 105 105 GLN C C 13 177.272 0.028 . 1 . . . A 308 GLN C . 18142 1 1107 . 1 1 105 105 GLN CA C 13 56.675 0.072 . 1 . . . A 308 GLN CA . 18142 1 1108 . 1 1 105 105 GLN CB C 13 27.957 0.069 . 1 . . . A 308 GLN CB . 18142 1 1109 . 1 1 105 105 GLN CG C 13 32.889 0.032 . 1 . . . A 308 GLN CG . 18142 1 1110 . 1 1 105 105 GLN N N 15 113.729 0.130 . 1 . . . A 308 GLN N . 18142 1 1111 . 1 1 105 105 GLN NE2 N 15 113.221 0.037 . 1 . . . A 308 GLN NE2 . 18142 1 1112 . 1 1 106 106 ILE H H 1 8.785 0.008 . 1 . . . A 309 ILE H . 18142 1 1113 . 1 1 106 106 ILE HA H 1 3.832 0.012 . 1 . . . A 309 ILE HA . 18142 1 1114 . 1 1 106 106 ILE HB H 1 2.195 0.009 . 1 . . . A 309 ILE HB . 18142 1 1115 . 1 1 106 106 ILE HG12 H 1 1.207 0.013 . 2 . . . A 309 ILE HG12 . 18142 1 1116 . 1 1 106 106 ILE HG13 H 1 1.207 0.013 . 2 . . . A 309 ILE HG13 . 18142 1 1117 . 1 1 106 106 ILE HG21 H 1 0.869 0.011 . 1 . . . A 309 ILE HG21 . 18142 1 1118 . 1 1 106 106 ILE HG22 H 1 0.869 0.011 . 1 . . . A 309 ILE HG22 . 18142 1 1119 . 1 1 106 106 ILE HG23 H 1 0.869 0.011 . 1 . . . A 309 ILE HG23 . 18142 1 1120 . 1 1 106 106 ILE HD11 H 1 0.980 0.017 . 1 . . . A 309 ILE HD11 . 18142 1 1121 . 1 1 106 106 ILE HD12 H 1 0.980 0.017 . 1 . . . A 309 ILE HD12 . 18142 1 1122 . 1 1 106 106 ILE HD13 H 1 0.980 0.017 . 1 . . . A 309 ILE HD13 . 18142 1 1123 . 1 1 106 106 ILE C C 13 175.190 0.000 . 1 . . . A 309 ILE C . 18142 1 1124 . 1 1 106 106 ILE CA C 13 64.170 0.069 . 1 . . . A 309 ILE CA . 18142 1 1125 . 1 1 106 106 ILE CB C 13 37.521 0.111 . 1 . . . A 309 ILE CB . 18142 1 1126 . 1 1 106 106 ILE CG1 C 13 27.082 0.000 . 1 . . . A 309 ILE CG1 . 18142 1 1127 . 1 1 106 106 ILE CG2 C 13 17.398 0.050 . 1 . . . A 309 ILE CG2 . 18142 1 1128 . 1 1 106 106 ILE CD1 C 13 12.279 0.072 . 1 . . . A 309 ILE CD1 . 18142 1 1129 . 1 1 106 106 ILE N N 15 124.882 0.091 . 1 . . . A 309 ILE N . 18142 1 1130 . 1 1 107 107 CYS H H 1 8.145 0.008 . 1 . . . A 310 CYS H . 18142 1 1131 . 1 1 107 107 CYS HA H 1 3.759 0.018 . 1 . . . A 310 CYS HA . 18142 1 1132 . 1 1 107 107 CYS HB2 H 1 2.703 0.015 . 2 . . . A 310 CYS HB2 . 18142 1 1133 . 1 1 107 107 CYS HB3 H 1 2.590 0.012 . 2 . . . A 310 CYS HB3 . 18142 1 1134 . 1 1 107 107 CYS CA C 13 63.763 0.079 . 1 . . . A 310 CYS CA . 18142 1 1135 . 1 1 107 107 CYS CB C 13 29.277 0.056 . 1 . . . A 310 CYS CB . 18142 1 1136 . 1 1 107 107 CYS N N 15 124.112 0.113 . 1 . . . A 310 CYS N . 18142 1 1137 . 1 1 108 108 ARG H H 1 7.926 0.006 . 1 . . . A 311 ARG H . 18142 1 1138 . 1 1 108 108 ARG HA H 1 4.368 0.013 . 1 . . . A 311 ARG HA . 18142 1 1139 . 1 1 108 108 ARG HB2 H 1 1.548 0.017 . 2 . . . A 311 ARG HB2 . 18142 1 1140 . 1 1 108 108 ARG HB3 H 1 1.409 0.008 . 2 . . . A 311 ARG HB3 . 18142 1 1141 . 1 1 108 108 ARG HG2 H 1 1.415 0.013 . 2 . . . A 311 ARG HG2 . 18142 1 1142 . 1 1 108 108 ARG HG3 H 1 1.415 0.013 . 2 . . . A 311 ARG HG3 . 18142 1 1143 . 1 1 108 108 ARG HD2 H 1 2.997 0.014 . 2 . . . A 311 ARG HD2 . 18142 1 1144 . 1 1 108 108 ARG HD3 H 1 2.997 0.014 . 2 . . . A 311 ARG HD3 . 18142 1 1145 . 1 1 108 108 ARG CA C 13 53.726 0.092 . 1 . . . A 311 ARG CA . 18142 1 1146 . 1 1 108 108 ARG CB C 13 30.758 0.078 . 1 . . . A 311 ARG CB . 18142 1 1147 . 1 1 108 108 ARG CG C 13 26.803 0.092 . 1 . . . A 311 ARG CG . 18142 1 1148 . 1 1 108 108 ARG CD C 13 43.620 0.062 . 1 . . . A 311 ARG CD . 18142 1 1149 . 1 1 108 108 ARG N N 15 119.148 0.038 . 1 . . . A 311 ARG N . 18142 1 1150 . 1 1 109 109 PRO HA H 1 4.479 0.021 . 1 . . . A 312 PRO HA . 18142 1 1151 . 1 1 109 109 PRO HB2 H 1 2.286 0.018 . 2 . . . A 312 PRO HB2 . 18142 1 1152 . 1 1 109 109 PRO HB3 H 1 1.840 0.017 . 2 . . . A 312 PRO HB3 . 18142 1 1153 . 1 1 109 109 PRO HG2 H 1 1.934 0.022 . 2 . . . A 312 PRO HG2 . 18142 1 1154 . 1 1 109 109 PRO HG3 H 1 1.934 0.022 . 2 . . . A 312 PRO HG3 . 18142 1 1155 . 1 1 109 109 PRO HD2 H 1 3.414 0.020 . 2 . . . A 312 PRO HD2 . 18142 1 1156 . 1 1 109 109 PRO HD3 H 1 3.414 0.020 . 2 . . . A 312 PRO HD3 . 18142 1 1157 . 1 1 109 109 PRO C C 13 177.008 0.021 . 1 . . . A 312 PRO C . 18142 1 1158 . 1 1 109 109 PRO CA C 13 63.475 0.073 . 1 . . . A 312 PRO CA . 18142 1 1159 . 1 1 109 109 PRO CB C 13 31.987 0.130 . 1 . . . A 312 PRO CB . 18142 1 1160 . 1 1 109 109 PRO CG C 13 27.257 0.018 . 1 . . . A 312 PRO CG . 18142 1 1161 . 1 1 109 109 PRO CD C 13 50.195 0.096 . 1 . . . A 312 PRO CD . 18142 1 1162 . 1 1 110 110 ARG H H 1 8.135 0.015 . 1 . . . A 313 ARG H . 18142 1 1163 . 1 1 110 110 ARG HA H 1 4.060 0.009 . 1 . . . A 313 ARG HA . 18142 1 1164 . 1 1 110 110 ARG HB2 H 1 1.841 0.008 . 2 . . . A 313 ARG HB2 . 18142 1 1165 . 1 1 110 110 ARG HB3 H 1 1.841 0.008 . 2 . . . A 313 ARG HB3 . 18142 1 1166 . 1 1 110 110 ARG HG2 H 1 1.667 0.017 . 2 . . . A 313 ARG HG2 . 18142 1 1167 . 1 1 110 110 ARG HG3 H 1 1.667 0.017 . 2 . . . A 313 ARG HG3 . 18142 1 1168 . 1 1 110 110 ARG HD2 H 1 3.156 0.010 . 2 . . . A 313 ARG HD2 . 18142 1 1169 . 1 1 110 110 ARG HD3 H 1 3.156 0.010 . 2 . . . A 313 ARG HD3 . 18142 1 1170 . 1 1 110 110 ARG C C 13 172.240 0.000 . 1 . . . A 313 ARG C . 18142 1 1171 . 1 1 110 110 ARG CA C 13 57.365 0.022 . 1 . . . A 313 ARG CA . 18142 1 1172 . 1 1 110 110 ARG CB C 13 31.206 0.025 . 1 . . . A 313 ARG CB . 18142 1 1173 . 1 1 110 110 ARG CD C 13 43.227 0.068 . 1 . . . A 313 ARG CD . 18142 1 1174 . 1 1 110 110 ARG N N 15 126.853 0.125 . 1 . . . A 313 ARG N . 18142 1 stop_ save_