data_18296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18296 _Entry.Title ; Solution structure of BRD1 PHD2 finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-25 _Entry.Accession_date 2012-02-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lei Liu . . . 18296 2 Jihui Wu . . . 18296 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' . 18296 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PHD finger' . 18296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 18296 '15N chemical shifts' 77 18296 '1H chemical shifts' 521 18296 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-18 2012-02-25 update BMRB 'update entry citation' 18296 1 . . 2012-10-22 2012-02-25 original author 'original release' 18296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQ6 'BMRB Entry Tracking System' 18296 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18296 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22820306 _Citation.Full_citation . _Citation.Title 'Solution structure of an atypical PHD finger in BRPF2 and its interaction with DNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 180 _Citation.Journal_issue 1 _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 165 _Citation.Page_last 173 _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 Lei Liu . . . 18296 1 2 Su Qin . . . 18296 1 3 Jiahai Zhang . . . 18296 1 4 Peng Ji . . . 18296 1 5 Yunyu Shi . . . 18296 1 6 Jihui Wu . . . 18296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18296 _Assembly.ID 1 _Assembly.Name BRD1_PHD2_finger _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 BRD1_PHD2_finger 1 $BRD1_PHD2_finger A . yes native no no . . . 18296 1 2 'ZINC ION_1' 2 $entity_ZN B . yes native no no . . . 18296 1 3 'ZINC ION_2' 2 $entity_ZN C . yes native no no . . . 18296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BRD1_PHD2_finger _Entity.Sf_category entity _Entity.Sf_framecode BRD1_PHD2_finger _Entity.Entry_ID 18296 _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 ; MGHHHHHHMNIPPARWKLTC YLCKQKGVGASIQCHKANCY TAFHVTCAQKAGLYMKMEPV KELTGGGTTFSVRKTAYCDV HTPPGST ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8640.185 _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 2LQ6 . "Solution Structure Of Brd1 Phd2 Finger" . . . . . 100.00 87 100.00 100.00 6.67e-57 . . . . 18296 1 2 no DBJ BAF85117 . "unnamed protein product [Homo sapiens]" . . . . . 89.66 1189 97.44 97.44 9.84e-47 . . . . 18296 1 3 no DBJ BAG65531 . "unnamed protein product [Homo sapiens]" . . . . . 89.66 995 97.44 97.44 1.83e-46 . . . . 18296 1 4 no DBJ BAG72478 . "bromodomain containing 1 [synthetic construct]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 5 no EMBL CAG30294 . "BRD1 [Homo sapiens]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 6 no EMBL CAK54399 . "BRD1 [synthetic construct]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 7 no EMBL CAK54698 . "BRD1 [synthetic construct]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 8 no GB AAF34320 . "BRL [Homo sapiens]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 9 no GB AAH30007 . "BRD1 protein [Homo sapiens]" . . . . . 89.66 1189 97.44 97.44 1.01e-46 . . . . 18296 1 10 no GB AAH47508 . "BRD1 protein [Homo sapiens]" . . . . . 89.66 1189 97.44 97.44 1.01e-46 . . . . 18296 1 11 no GB EAW73473 . "bromodomain containing 1, isoform CRA_a [Homo sapiens]" . . . . . 89.66 1189 97.44 97.44 9.84e-47 . . . . 18296 1 12 no GB EAW73474 . "bromodomain containing 1, isoform CRA_b [Homo sapiens]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 13 no REF NP_001291737 . "bromodomain-containing protein 1 isoform 1 [Homo sapiens]" . . . . . 89.66 1189 97.44 97.44 9.84e-47 . . . . 18296 1 14 no REF NP_001291738 . "bromodomain-containing protein 1 isoform 2 [Homo sapiens]" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 1 15 no REF XP_001111352 . "PREDICTED: bromodomain-containing protein 1-like isoform 2 [Macaca mulatta]" . . . . . 89.66 1059 97.44 97.44 4.35e-47 . . . . 18296 1 16 no REF XP_001111383 . "PREDICTED: bromodomain-containing protein 1-like isoform 3 [Macaca mulatta]" . . . . . 89.66 1190 97.44 97.44 6.11e-47 . . . . 18296 1 17 no REF XP_003280773 . "PREDICTED: bromodomain-containing protein 1 [Nomascus leucogenys]" . . . . . 89.66 1058 97.44 97.44 4.39e-47 . . . . 18296 1 18 no SP O95696 . "RecName: Full=Bromodomain-containing protein 1; AltName: Full=BR140-like protein; AltName: Full=Bromodomain and PHD finger-cont" . . . . . 89.66 1058 97.44 97.44 4.94e-47 . . . . 18296 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 1 308 MET . 18296 1 2 309 GLY . 18296 1 3 310 HIS . 18296 1 4 311 HIS . 18296 1 5 312 HIS . 18296 1 6 313 HIS . 18296 1 7 314 HIS . 18296 1 8 315 HIS . 18296 1 9 316 MET . 18296 1 10 317 ASN . 18296 1 11 318 ILE . 18296 1 12 319 PRO . 18296 1 13 320 PRO . 18296 1 14 321 ALA . 18296 1 15 322 ARG . 18296 1 16 323 TRP . 18296 1 17 324 LYS . 18296 1 18 325 LEU . 18296 1 19 326 THR . 18296 1 20 327 CYS . 18296 1 21 328 TYR . 18296 1 22 329 LEU . 18296 1 23 330 CYS . 18296 1 24 331 LYS . 18296 1 25 332 GLN . 18296 1 26 333 LYS . 18296 1 27 334 GLY . 18296 1 28 335 VAL . 18296 1 29 336 GLY . 18296 1 30 337 ALA . 18296 1 31 338 SER . 18296 1 32 339 ILE . 18296 1 33 340 GLN . 18296 1 34 341 CYS . 18296 1 35 342 HIS . 18296 1 36 343 LYS . 18296 1 37 344 ALA . 18296 1 38 345 ASN . 18296 1 39 346 CYS . 18296 1 40 347 TYR . 18296 1 41 348 THR . 18296 1 42 349 ALA . 18296 1 43 350 PHE . 18296 1 44 351 HIS . 18296 1 45 352 VAL . 18296 1 46 353 THR . 18296 1 47 354 CYS . 18296 1 48 355 ALA . 18296 1 49 356 GLN . 18296 1 50 357 LYS . 18296 1 51 358 ALA . 18296 1 52 359 GLY . 18296 1 53 360 LEU . 18296 1 54 361 TYR . 18296 1 55 362 MET . 18296 1 56 363 LYS . 18296 1 57 364 MET . 18296 1 58 365 GLU . 18296 1 59 366 PRO . 18296 1 60 367 VAL . 18296 1 61 368 LYS . 18296 1 62 369 GLU . 18296 1 63 370 LEU . 18296 1 64 371 THR . 18296 1 65 372 GLY . 18296 1 66 373 GLY . 18296 1 67 374 GLY . 18296 1 68 375 THR . 18296 1 69 376 THR . 18296 1 70 377 PHE . 18296 1 71 378 SER . 18296 1 72 379 VAL . 18296 1 73 380 ARG . 18296 1 74 381 LYS . 18296 1 75 382 THR . 18296 1 76 383 ALA . 18296 1 77 384 TYR . 18296 1 78 385 CYS . 18296 1 79 386 ASP . 18296 1 80 387 VAL . 18296 1 81 388 HIS . 18296 1 82 389 THR . 18296 1 83 390 PRO . 18296 1 84 391 PRO . 18296 1 85 392 GLY . 18296 1 86 393 SER . 18296 1 87 394 THR . 18296 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 . MET 1 1 18296 1 . GLY 2 2 18296 1 . HIS 3 3 18296 1 . HIS 4 4 18296 1 . HIS 5 5 18296 1 . HIS 6 6 18296 1 . HIS 7 7 18296 1 . HIS 8 8 18296 1 . MET 9 9 18296 1 . ASN 10 10 18296 1 . ILE 11 11 18296 1 . PRO 12 12 18296 1 . PRO 13 13 18296 1 . ALA 14 14 18296 1 . ARG 15 15 18296 1 . TRP 16 16 18296 1 . LYS 17 17 18296 1 . LEU 18 18 18296 1 . THR 19 19 18296 1 . CYS 20 20 18296 1 . TYR 21 21 18296 1 . LEU 22 22 18296 1 . CYS 23 23 18296 1 . LYS 24 24 18296 1 . GLN 25 25 18296 1 . LYS 26 26 18296 1 . GLY 27 27 18296 1 . VAL 28 28 18296 1 . GLY 29 29 18296 1 . ALA 30 30 18296 1 . SER 31 31 18296 1 . ILE 32 32 18296 1 . GLN 33 33 18296 1 . CYS 34 34 18296 1 . HIS 35 35 18296 1 . LYS 36 36 18296 1 . ALA 37 37 18296 1 . ASN 38 38 18296 1 . CYS 39 39 18296 1 . TYR 40 40 18296 1 . THR 41 41 18296 1 . ALA 42 42 18296 1 . PHE 43 43 18296 1 . HIS 44 44 18296 1 . VAL 45 45 18296 1 . THR 46 46 18296 1 . CYS 47 47 18296 1 . ALA 48 48 18296 1 . GLN 49 49 18296 1 . LYS 50 50 18296 1 . ALA 51 51 18296 1 . GLY 52 52 18296 1 . LEU 53 53 18296 1 . TYR 54 54 18296 1 . MET 55 55 18296 1 . LYS 56 56 18296 1 . MET 57 57 18296 1 . GLU 58 58 18296 1 . PRO 59 59 18296 1 . VAL 60 60 18296 1 . LYS 61 61 18296 1 . GLU 62 62 18296 1 . LEU 63 63 18296 1 . THR 64 64 18296 1 . GLY 65 65 18296 1 . GLY 66 66 18296 1 . GLY 67 67 18296 1 . THR 68 68 18296 1 . THR 69 69 18296 1 . PHE 70 70 18296 1 . SER 71 71 18296 1 . VAL 72 72 18296 1 . ARG 73 73 18296 1 . LYS 74 74 18296 1 . THR 75 75 18296 1 . ALA 76 76 18296 1 . TYR 77 77 18296 1 . CYS 78 78 18296 1 . ASP 79 79 18296 1 . VAL 80 80 18296 1 . HIS 81 81 18296 1 . THR 82 82 18296 1 . PRO 83 83 18296 1 . PRO 84 84 18296 1 . GLY 85 85 18296 1 . SER 86 86 18296 1 . THR 87 87 18296 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18296 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18296 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18296 2 ZN 'Three letter code' 18296 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 18296 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18296 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 18296 _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 $BRD1_PHD2_finger . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18296 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 18296 _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 $BRD1_PHD2_finger . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 18296 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 18296 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 18296 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18296 ZN [Zn++] SMILES CACTVS 3.341 18296 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18296 ZN [Zn+2] SMILES ACDLabs 10.04 18296 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18296 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18296 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 18296 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18296 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18296 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18296 _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 BRD1_PHD2_finger [U-15N] . . 1 $BRD1_PHD2_finger . . 0.3 . . mM . . . . 18296 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18296 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18296 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18296 1 5 'Bis-tris methane' 'natural abundance' . . . . . . 20 . . mM . . . . 18296 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18296 _Sample.ID 2 _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 BRD1_PHD2_finger '[U-13C; U-15N]' . . 1 $BRD1_PHD2_finger . . 0.4 . . mM . . . . 18296 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18296 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18296 2 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18296 2 5 'Bis-tris methane' 'natural abundance' . . . . . . 20 . . mM . . . . 18296 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18296 _Sample.ID 3 _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 BRD1_PHD2_finger '[U-13C; U-15N]' . . 1 $BRD1_PHD2_finger . . 0.4 . . mM . . . . 18296 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18296 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18296 3 4 'Bis-tris methane' 'natural abundance' . . . . . . 20 . . mM . . . . 18296 3 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 18296 _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' 150 . mM 18296 1 pH 6.5 . pH 18296 1 pressure 1 . atm 18296 1 temperature 293 . K 18296 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18296 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18296 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18296 _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 . . 18296 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18296 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18296 _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' . . 18296 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18296 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 18296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 18296 _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 DMX . 600 . . . 18296 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 18296 _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 . . . . . . . . . . . . . . . . 18296 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 8 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18296 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 18296 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18296 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18296 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18296 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 18296 _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' . . . 18296 1 2 '3D CBCA(CO)NH' . . . 18296 1 3 '3D HNCACB' . . . 18296 1 4 '3D HNCO' . . . 18296 1 5 '3D HN(CO)CA' . . . 18296 1 6 '3D HBHA(CO)NH' . . . 18296 1 7 '3D H(CCO)NH' . . . 18296 1 8 '3D HCCH-COSY' . . . 18296 1 9 '3D HCCH-TOCSY' . . . 18296 1 10 '3D 1H-15N NOESY' . . . 18296 1 11 '3D 1H-13C NOESY' . . . 18296 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 9 9 MET HA H 1 4.243 0.002 . 1 . . . A 316 MET HA . 18296 1 2 . 1 1 9 9 MET HB2 H 1 1.824 0.01 . 2 . . . A 316 MET HB2 . 18296 1 3 . 1 1 9 9 MET HB3 H 1 1.824 0.01 . 2 . . . A 316 MET HB3 . 18296 1 4 . 1 1 9 9 MET HG2 H 1 2.245 0.007 . 2 . . . A 316 MET HG2 . 18296 1 5 . 1 1 9 9 MET HG3 H 1 2.245 0.007 . 2 . . . A 316 MET HG3 . 18296 1 6 . 1 1 9 9 MET C C 13 177.922 0.009 . 1 . . . A 316 MET C . 18296 1 7 . 1 1 9 9 MET CA C 13 55.392 0.077 . 1 . . . A 316 MET CA . 18296 1 8 . 1 1 9 9 MET CB C 13 32.686 0.059 . 1 . . . A 316 MET CB . 18296 1 9 . 1 1 9 9 MET CG C 13 31.779 0.023 . 1 . . . A 316 MET CG . 18296 1 10 . 1 1 10 10 ASN H H 1 8.415 0.01 . 1 . . . A 317 ASN H . 18296 1 11 . 1 1 10 10 ASN HA H 1 4.501 0.003 . 1 . . . A 317 ASN HA . 18296 1 12 . 1 1 10 10 ASN HB2 H 1 2.636 0.001 . 2 . . . A 317 ASN HB2 . 18296 1 13 . 1 1 10 10 ASN HB3 H 1 2.568 0.033 . 2 . . . A 317 ASN HB3 . 18296 1 14 . 1 1 10 10 ASN HD21 H 1 7.462 0.001 . 2 . . . A 317 ASN HD21 . 18296 1 15 . 1 1 10 10 ASN C C 13 179.015 0.007 . 1 . . . A 317 ASN C . 18296 1 16 . 1 1 10 10 ASN CA C 13 53.191 0.17 . 1 . . . A 317 ASN CA . 18296 1 17 . 1 1 10 10 ASN CB C 13 38.65 0.053 . 1 . . . A 317 ASN CB . 18296 1 18 . 1 1 10 10 ASN N N 15 120.101 0.079 . 1 . . . A 317 ASN N . 18296 1 19 . 1 1 10 10 ASN ND2 N 15 113.078 0.01 . 1 . . . A 317 ASN ND2 . 18296 1 20 . 1 1 11 11 ILE H H 1 7.924 0.015 . 1 . . . A 318 ILE H . 18296 1 21 . 1 1 11 11 ILE HA H 1 4.25 0.006 . 1 . . . A 318 ILE HA . 18296 1 22 . 1 1 11 11 ILE HB H 1 1.663 0.004 . 1 . . . A 318 ILE HB . 18296 1 23 . 1 1 11 11 ILE HG12 H 1 1.289 0.003 . 2 . . . A 318 ILE HG12 . 18296 1 24 . 1 1 11 11 ILE HG13 H 1 0.94 0.004 . 2 . . . A 318 ILE HG13 . 18296 1 25 . 1 1 11 11 ILE HG21 H 1 0.727 0.006 . 1 . . . A 318 ILE HG21 . 18296 1 26 . 1 1 11 11 ILE HG22 H 1 0.727 0.006 . 1 . . . A 318 ILE HG22 . 18296 1 27 . 1 1 11 11 ILE HG23 H 1 0.727 0.006 . 1 . . . A 318 ILE HG23 . 18296 1 28 . 1 1 11 11 ILE HD11 H 1 0.644 0.004 . 1 . . . A 318 ILE HD11 . 18296 1 29 . 1 1 11 11 ILE HD12 H 1 0.644 0.004 . 1 . . . A 318 ILE HD12 . 18296 1 30 . 1 1 11 11 ILE HD13 H 1 0.644 0.004 . 1 . . . A 318 ILE HD13 . 18296 1 31 . 1 1 11 11 ILE C C 13 179.506 0.75 . 1 . . . A 318 ILE C . 18296 1 32 . 1 1 11 11 ILE CA C 13 58.332 0.126 . 1 . . . A 318 ILE CA . 18296 1 33 . 1 1 11 11 ILE CB C 13 38.713 0.042 . 1 . . . A 318 ILE CB . 18296 1 34 . 1 1 11 11 ILE CG1 C 13 26.852 0.007 . 1 . . . A 318 ILE CG1 . 18296 1 35 . 1 1 11 11 ILE CG2 C 13 37.008 0.006 . 1 . . . A 318 ILE CG2 . 18296 1 36 . 1 1 11 11 ILE CD1 C 13 12.592 0.018 . 9 . . . A 318 ILE CD1 . 18296 1 37 . 1 1 11 11 ILE N N 15 122.869 0.049 . 1 . . . A 318 ILE N . 18296 1 38 . 1 1 12 12 PRO HA H 1 4.359 0.002 . 1 . . . A 319 PRO HA . 18296 1 39 . 1 1 12 12 PRO HB2 H 1 1.627 0.008 . 2 . . . A 319 PRO HB2 . 18296 1 40 . 1 1 12 12 PRO HB3 H 1 2.014 0.001 . 2 . . . A 319 PRO HB3 . 18296 1 41 . 1 1 12 12 PRO HG2 H 1 1.753 0.016 . 2 . . . A 319 PRO HG2 . 18296 1 42 . 1 1 12 12 PRO HG3 H 1 1.753 0.016 . 2 . . . A 319 PRO HG3 . 18296 1 43 . 1 1 12 12 PRO HD2 H 1 3.661 0.003 . 2 . . . A 319 PRO HD2 . 18296 1 44 . 1 1 12 12 PRO HD3 H 1 3.411 0.002 . 2 . . . A 319 PRO HD3 . 18296 1 45 . 1 1 12 12 PRO CA C 13 61.487 0.01 . 1 . . . A 319 PRO CA . 18296 1 46 . 1 1 12 12 PRO CB C 13 30.96 0.03 . 1 . . . A 319 PRO CB . 18296 1 47 . 1 1 13 13 PRO HA H 1 3.968 0.006 . 1 . . . A 320 PRO HA . 18296 1 48 . 1 1 13 13 PRO HB2 H 1 1.961 0.007 . 2 . . . A 320 PRO HB2 . 18296 1 49 . 1 1 13 13 PRO HB3 H 1 1.578 0.004 . 2 . . . A 320 PRO HB3 . 18296 1 50 . 1 1 13 13 PRO HG2 H 1 1.726 0.005 . 2 . . . A 320 PRO HG2 . 18296 1 51 . 1 1 13 13 PRO HG3 H 1 1.726 0.005 . 2 . . . A 320 PRO HG3 . 18296 1 52 . 1 1 13 13 PRO HD2 H 1 3.52 0.002 . 2 . . . A 320 PRO HD2 . 18296 1 53 . 1 1 13 13 PRO HD3 H 1 3.255 0.004 . 2 . . . A 320 PRO HD3 . 18296 1 54 . 1 1 13 13 PRO C C 13 176.730 0.013 . 1 . . . A 320 PRO C . 18296 1 55 . 1 1 13 13 PRO CA C 13 62.874 0.048 . 1 . . . A 320 PRO CA . 18296 1 56 . 1 1 13 13 PRO CB C 13 31.948 0.08 . 1 . . . A 320 PRO CB . 18296 1 57 . 1 1 13 13 PRO CG C 13 27.337 0.011 . 1 . . . A 320 PRO CG . 18296 1 58 . 1 1 13 13 PRO CD C 13 50.404 0.018 . 1 . . . A 320 PRO CD . 18296 1 59 . 1 1 14 14 ALA H H 1 8.108 0.013 . 1 . . . A 321 ALA H . 18296 1 60 . 1 1 14 14 ALA HA H 1 3.952 0.004 . 1 . . . A 321 ALA HA . 18296 1 61 . 1 1 14 14 ALA HB1 H 1 1.062 0.005 . 1 . . . A 321 ALA HB1 . 18296 1 62 . 1 1 14 14 ALA HB2 H 1 1.062 0.005 . 1 . . . A 321 ALA HB2 . 18296 1 63 . 1 1 14 14 ALA HB3 H 1 1.062 0.005 . 1 . . . A 321 ALA HB3 . 18296 1 64 . 1 1 14 14 ALA C C 13 175.208 0.003 . 1 . . . A 321 ALA C . 18296 1 65 . 1 1 14 14 ALA CA C 13 52.876 0.076 . 1 . . . A 321 ALA CA . 18296 1 66 . 1 1 14 14 ALA CB C 13 18.896 0.175 . 1 . . . A 321 ALA CB . 18296 1 67 . 1 1 14 14 ALA N N 15 123.469 0.094 . 1 . . . A 321 ALA N . 18296 1 68 . 1 1 15 15 ARG H H 1 8.077 0.012 . 1 . . . A 322 ARG H . 18296 1 69 . 1 1 15 15 ARG HA H 1 3.943 0.007 . 1 . . . A 322 ARG HA . 18296 1 70 . 1 1 15 15 ARG HB2 H 1 1.524 0.007 . 2 . . . A 322 ARG HB2 . 18296 1 71 . 1 1 15 15 ARG HB3 H 1 1.524 0.007 . 2 . . . A 322 ARG HB3 . 18296 1 72 . 1 1 15 15 ARG HG2 H 1 1.287 0.005 . 2 . . . A 322 ARG HG2 . 18296 1 73 . 1 1 15 15 ARG HG3 H 1 1.287 0.005 . 2 . . . A 322 ARG HG3 . 18296 1 74 . 1 1 15 15 ARG HD2 H 1 2.882 0.005 . 2 . . . A 322 ARG HD2 . 18296 1 75 . 1 1 15 15 ARG HD3 H 1 2.882 0.005 . 2 . . . A 322 ARG HD3 . 18296 1 76 . 1 1 15 15 ARG C C 13 176.87 0.006 . 1 . . . A 322 ARG C . 18296 1 77 . 1 1 15 15 ARG CA C 13 56.737 0.154 . 1 . . . A 322 ARG CA . 18296 1 78 . 1 1 15 15 ARG CB C 13 30.23 0.105 . 1 . . . A 322 ARG CB . 18296 1 79 . 1 1 15 15 ARG CG C 13 27.002 0.023 . 1 . . . A 322 ARG CG . 18296 1 80 . 1 1 15 15 ARG CD C 13 43.132 0.007 . 1 . . . A 322 ARG CD . 18296 1 81 . 1 1 15 15 ARG N N 15 118.725 0.08 . 1 . . . A 322 ARG N . 18296 1 82 . 1 1 16 16 TRP H H 1 7.634 0.007 . 1 . . . A 323 TRP H . 18296 1 83 . 1 1 16 16 TRP HA H 1 4.471 0.011 . 1 . . . A 323 TRP HA . 18296 1 84 . 1 1 16 16 TRP HB2 H 1 3.096 0.006 . 2 . . . A 323 TRP HB2 . 18296 1 85 . 1 1 16 16 TRP HB3 H 1 3.096 0.006 . 2 . . . A 323 TRP HB3 . 18296 1 86 . 1 1 16 16 TRP HD1 H 1 7.045 0.011 . 1 . . . A 323 TRP HD1 . 18296 1 87 . 1 1 16 16 TRP HE1 H 1 9.996 0.007 . 1 . . . A 323 TRP HE1 . 18296 1 88 . 1 1 16 16 TRP HE3 H 1 7.34 0.011 . 1 . . . A 323 TRP HE3 . 18296 1 89 . 1 1 16 16 TRP HZ2 H 1 7.281 0.008 . 1 . . . A 323 TRP HZ2 . 18296 1 90 . 1 1 16 16 TRP C C 13 177.322 0.032 . 1 . . . A 323 TRP C . 18296 1 91 . 1 1 16 16 TRP CA C 13 57.143 0.058 . 1 . . . A 323 TRP CA . 18296 1 92 . 1 1 16 16 TRP CB C 13 29.192 0.013 . 1 . . . A 323 TRP CB . 18296 1 93 . 1 1 16 16 TRP N N 15 120.113 0.078 . 1 . . . A 323 TRP N . 18296 1 94 . 1 1 16 16 TRP NE1 N 15 129.412 0.018 . 1 . . . A 323 TRP NE1 . 18296 1 95 . 1 1 17 17 LYS H H 1 7.735 0.013 . 1 . . . A 324 LYS H . 18296 1 96 . 1 1 17 17 LYS HA H 1 3.951 0.008 . 1 . . . A 324 LYS HA . 18296 1 97 . 1 1 17 17 LYS HB2 H 1 1.501 0.007 . 2 . . . A 324 LYS HB2 . 18296 1 98 . 1 1 17 17 LYS HB3 H 1 1.376 0.008 . 2 . . . A 324 LYS HB3 . 18296 1 99 . 1 1 17 17 LYS HG2 H 1 0.874 0.005 . 2 . . . A 324 LYS HG2 . 18296 1 100 . 1 1 17 17 LYS HG3 H 1 0.874 0.005 . 2 . . . A 324 LYS HG3 . 18296 1 101 . 1 1 17 17 LYS HD2 H 1 1.367 0.004 . 2 . . . A 324 LYS HD2 . 18296 1 102 . 1 1 17 17 LYS HD3 H 1 1.367 0.004 . 2 . . . A 324 LYS HD3 . 18296 1 103 . 1 1 17 17 LYS HE2 H 1 2.699 0.006 . 2 . . . A 324 LYS HE2 . 18296 1 104 . 1 1 17 17 LYS HE3 H 1 2.699 0.006 . 2 . . . A 324 LYS HE3 . 18296 1 105 . 1 1 17 17 LYS C C 13 179.457 0.750 . 1 . . . A 324 LYS C . 18296 1 106 . 1 1 17 17 LYS CA C 13 56.502 0.089 . 1 . . . A 324 LYS CA . 18296 1 107 . 1 1 17 17 LYS CB C 13 32.867 0.082 . 1 . . . A 324 LYS CB . 18296 1 108 . 1 1 17 17 LYS CG C 13 24.698 0.020 . 1 . . . A 324 LYS CG . 18296 1 109 . 1 1 17 17 LYS CD C 13 29.019 0.026 . 1 . . . A 324 LYS CD . 18296 1 110 . 1 1 17 17 LYS CE C 13 41.834 0.007 . 1 . . . A 324 LYS CE . 18296 1 111 . 1 1 17 17 LYS N N 15 121.4 0.126 . 1 . . . A 324 LYS N . 18296 1 112 . 1 1 18 18 LEU H H 1 7.708 0.011 . 1 . . . A 325 LEU H . 18296 1 113 . 1 1 18 18 LEU HA H 1 4.141 0.002 . 1 . . . A 325 LEU HA . 18296 1 114 . 1 1 18 18 LEU HB2 H 1 1.409 0.007 . 2 . . . A 325 LEU HB2 . 18296 1 115 . 1 1 18 18 LEU HB3 H 1 1.189 0.004 . 2 . . . A 325 LEU HB3 . 18296 1 116 . 1 1 18 18 LEU HD11 H 1 0.631 0.007 . 2 . . . A 325 LEU HD11 . 18296 1 117 . 1 1 18 18 LEU HD12 H 1 0.631 0.007 . 2 . . . A 325 LEU HD12 . 18296 1 118 . 1 1 18 18 LEU HD13 H 1 0.631 0.007 . 2 . . . A 325 LEU HD13 . 18296 1 119 . 1 1 18 18 LEU HD21 H 1 0.611 0.007 . 2 . . . A 325 LEU HD21 . 18296 1 120 . 1 1 18 18 LEU HD22 H 1 0.611 0.007 . 2 . . . A 325 LEU HD22 . 18296 1 121 . 1 1 18 18 LEU HD23 H 1 0.611 0.007 . 2 . . . A 325 LEU HD23 . 18296 1 122 . 1 1 18 18 LEU C C 13 176.781 0.022 . 1 . . . A 325 LEU C . 18296 1 123 . 1 1 18 18 LEU CA C 13 54.574 0.074 . 1 . . . A 325 LEU CA . 18296 1 124 . 1 1 18 18 LEU CB C 13 42.252 0.038 . 1 . . . A 325 LEU CB . 18296 1 125 . 1 1 18 18 LEU CD1 C 13 25.348 0.048 . 2 . . . A 325 LEU CD1 . 18296 1 126 . 1 1 18 18 LEU CD2 C 13 22.836 0.04 . 2 . . . A 325 LEU CD2 . 18296 1 127 . 1 1 18 18 LEU N N 15 121.064 0.119 . 1 . . . A 325 LEU N . 18296 1 128 . 1 1 19 19 THR H H 1 7.915 0.008 . 1 . . . A 326 THR H . 18296 1 129 . 1 1 19 19 THR HA H 1 3.935 0.009 . 1 . . . A 326 THR HA . 18296 1 130 . 1 1 19 19 THR HB H 1 3.709 0.008 . 1 . . . A 326 THR HB . 18296 1 131 . 1 1 19 19 THR HG21 H 1 0.834 0.003 . 1 . . . A 326 THR HG21 . 18296 1 132 . 1 1 19 19 THR HG22 H 1 0.834 0.003 . 1 . . . A 326 THR HG22 . 18296 1 133 . 1 1 19 19 THR HG23 H 1 0.834 0.003 . 1 . . . A 326 THR HG23 . 18296 1 134 . 1 1 19 19 THR C C 13 180.854 0.049 . 1 . . . A 326 THR C . 18296 1 135 . 1 1 19 19 THR CA C 13 61.977 0.116 . 1 . . . A 326 THR CA . 18296 1 136 . 1 1 19 19 THR CB C 13 70.166 0.101 . 1 . . . A 326 THR CB . 18296 1 137 . 1 1 19 19 THR CG2 C 13 21.225 0.062 . 1 . . . A 326 THR CG2 . 18296 1 138 . 1 1 19 19 THR N N 15 117.252 0.073 . 1 . . . A 326 THR N . 18296 1 139 . 1 1 20 20 CYS H H 1 8.055 0.01 . 1 . . . A 327 CYS H . 18296 1 140 . 1 1 20 20 CYS HA H 1 4.324 0.006 . 1 . . . A 327 CYS HA . 18296 1 141 . 1 1 20 20 CYS HB2 H 1 3.066 0.011 . 2 . . . A 327 CYS HB2 . 18296 1 142 . 1 1 20 20 CYS HB3 H 1 1.687 0.008 . 2 . . . A 327 CYS HB3 . 18296 1 143 . 1 1 20 20 CYS C C 13 175.898 0.002 . 1 . . . A 327 CYS C . 18296 1 144 . 1 1 20 20 CYS CA C 13 57.928 0.054 . 1 . . . A 327 CYS CA . 18296 1 145 . 1 1 20 20 CYS CB C 13 31.298 0.046 . 1 . . . A 327 CYS CB . 18296 1 146 . 1 1 20 20 CYS N N 15 127.254 0.079 . 1 . . . A 327 CYS N . 18296 1 147 . 1 1 21 21 TYR H H 1 9.082 0.007 . 1 . . . A 328 TYR H . 18296 1 148 . 1 1 21 21 TYR HA H 1 4.488 0.005 . 1 . . . A 328 TYR HA . 18296 1 149 . 1 1 21 21 TYR HB2 H 1 3.184 0.003 . 2 . . . A 328 TYR HB2 . 18296 1 150 . 1 1 21 21 TYR HB3 H 1 3.285 0.011 . 2 . . . A 328 TYR HB3 . 18296 1 151 . 1 1 21 21 TYR HD1 H 1 7.19 0.005 . 1 . . . A 328 TYR HD1 . 18296 1 152 . 1 1 21 21 TYR HD2 H 1 7.19 0.005 . 1 . . . A 328 TYR HD2 . 18296 1 153 . 1 1 21 21 TYR HE1 H 1 6.534 0.004 . 1 . . . A 328 TYR HE1 . 18296 1 154 . 1 1 21 21 TYR HE2 H 1 6.534 0.004 . 1 . . . A 328 TYR HE2 . 18296 1 155 . 1 1 21 21 TYR C C 13 178.625 0.022 . 1 . . . A 328 TYR C . 18296 1 156 . 1 1 21 21 TYR CA C 13 58.951 0.142 . 1 . . . A 328 TYR CA . 18296 1 157 . 1 1 21 21 TYR CB C 13 37.712 0.059 . 1 . . . A 328 TYR CB . 18296 1 158 . 1 1 21 21 TYR N N 15 129.752 0.129 . 1 . . . A 328 TYR N . 18296 1 159 . 1 1 22 22 LEU H H 1 8.14 0.006 . 1 . . . A 329 LEU H . 18296 1 160 . 1 1 22 22 LEU HA H 1 3.749 0.003 . 1 . . . A 329 LEU HA . 18296 1 161 . 1 1 22 22 LEU HB2 H 1 1.429 0.003 . 2 . . . A 329 LEU HB2 . 18296 1 162 . 1 1 22 22 LEU HB3 H 1 1.163 0.008 . 2 . . . A 329 LEU HB3 . 18296 1 163 . 1 1 22 22 LEU HD11 H 1 0.343 0.008 . 2 . . . A 329 LEU HD11 . 18296 1 164 . 1 1 22 22 LEU HD12 H 1 0.343 0.008 . 2 . . . A 329 LEU HD12 . 18296 1 165 . 1 1 22 22 LEU HD13 H 1 0.343 0.008 . 2 . . . A 329 LEU HD13 . 18296 1 166 . 1 1 22 22 LEU HD21 H 1 0.251 0.008 . 2 . . . A 329 LEU HD21 . 18296 1 167 . 1 1 22 22 LEU HD22 H 1 0.251 0.008 . 2 . . . A 329 LEU HD22 . 18296 1 168 . 1 1 22 22 LEU HD23 H 1 0.251 0.008 . 2 . . . A 329 LEU HD23 . 18296 1 169 . 1 1 22 22 LEU C C 13 176.268 0.039 . 1 . . . A 329 LEU C . 18296 1 170 . 1 1 22 22 LEU CA C 13 56.514 0.038 . 1 . . . A 329 LEU CA . 18296 1 171 . 1 1 22 22 LEU CB C 13 42.975 0.043 . 1 . . . A 329 LEU CB . 18296 1 172 . 1 1 22 22 LEU CD1 C 13 25.716 0.032 . 2 . . . A 329 LEU CD1 . 18296 1 173 . 1 1 22 22 LEU CD2 C 13 22.573 0.006 . 2 . . . A 329 LEU CD2 . 18296 1 174 . 1 1 22 22 LEU N N 15 124.057 0.081 . 1 . . . A 329 LEU N . 18296 1 175 . 1 1 23 23 CYS H H 1 7.971 0.006 . 1 . . . A 330 CYS H . 18296 1 176 . 1 1 23 23 CYS HA H 1 4.741 0.002 . 1 . . . A 330 CYS HA . 18296 1 177 . 1 1 23 23 CYS HB2 H 1 3.024 0.01 . 2 . . . A 330 CYS HB2 . 18296 1 178 . 1 1 23 23 CYS HB3 H 1 2.885 0.005 . 2 . . . A 330 CYS HB3 . 18296 1 179 . 1 1 23 23 CYS C C 13 177.769 0.01 . 1 . . . A 330 CYS C . 18296 1 180 . 1 1 23 23 CYS CA C 13 58.459 0.063 . 1 . . . A 330 CYS CA . 18296 1 181 . 1 1 23 23 CYS CB C 13 30.918 0.102 . 1 . . . A 330 CYS CB . 18296 1 182 . 1 1 23 23 CYS N N 15 117.734 0.065 . 1 . . . A 330 CYS N . 18296 1 183 . 1 1 24 24 LYS H H 1 7.842 0.005 . 1 . . . A 331 LYS H . 18296 1 184 . 1 1 24 24 LYS HA H 1 3.98 0.005 . 1 . . . A 331 LYS HA . 18296 1 185 . 1 1 24 24 LYS HB2 H 1 1.874 0.008 . 2 . . . A 331 LYS HB2 . 18296 1 186 . 1 1 24 24 LYS HB3 H 1 1.874 0.008 . 2 . . . A 331 LYS HB3 . 18296 1 187 . 1 1 24 24 LYS HG2 H 1 1.119 0.004 . 2 . . . A 331 LYS HG2 . 18296 1 188 . 1 1 24 24 LYS HG3 H 1 1.119 0.004 . 2 . . . A 331 LYS HG3 . 18296 1 189 . 1 1 24 24 LYS HD2 H 1 1.484 0.013 . 2 . . . A 331 LYS HD2 . 18296 1 190 . 1 1 24 24 LYS HD3 H 1 1.484 0.013 . 2 . . . A 331 LYS HD3 . 18296 1 191 . 1 1 24 24 LYS HE2 H 1 2.85 0.011 . 2 . . . A 331 LYS HE2 . 18296 1 192 . 1 1 24 24 LYS HE3 H 1 2.85 0.011 . 2 . . . A 331 LYS HE3 . 18296 1 193 . 1 1 24 24 LYS C C 13 178.178 0.034 . 1 . . . A 331 LYS C . 18296 1 194 . 1 1 24 24 LYS CA C 13 57.52 0.072 . 1 . . . A 331 LYS CA . 18296 1 195 . 1 1 24 24 LYS CB C 13 29.278 0.132 . 1 . . . A 331 LYS CB . 18296 1 196 . 1 1 24 24 LYS CG C 13 25.288 0.002 . 1 . . . A 331 LYS CG . 18296 1 197 . 1 1 24 24 LYS CE C 13 42.191 0.012 . 1 . . . A 331 LYS CE . 18296 1 198 . 1 1 24 24 LYS N N 15 118.437 0.08 . 1 . . . A 331 LYS N . 18296 1 199 . 1 1 25 25 GLN H H 1 8.306 0.008 . 1 . . . A 332 GLN H . 18296 1 200 . 1 1 25 25 GLN HA H 1 4.574 0.002 . 1 . . . A 332 GLN HA . 18296 1 201 . 1 1 25 25 GLN HB2 H 1 2.047 0.008 . 2 . . . A 332 GLN HB2 . 18296 1 202 . 1 1 25 25 GLN HB3 H 1 2.047 0.008 . 2 . . . A 332 GLN HB3 . 18296 1 203 . 1 1 25 25 GLN HG2 H 1 2.265 0.004 . 2 . . . A 332 GLN HG2 . 18296 1 204 . 1 1 25 25 GLN HG3 H 1 2.265 0.004 . 2 . . . A 332 GLN HG3 . 18296 1 205 . 1 1 25 25 GLN HE21 H 1 7.301 0.002 . 2 . . . A 332 GLN HE21 . 18296 1 206 . 1 1 25 25 GLN HE22 H 1 6.751 0.004 . 2 . . . A 332 GLN HE22 . 18296 1 207 . 1 1 25 25 GLN C C 13 177.619 0.001 . 1 . . . A 332 GLN C . 18296 1 208 . 1 1 25 25 GLN CA C 13 54.362 0.031 . 1 . . . A 332 GLN CA . 18296 1 209 . 1 1 25 25 GLN CB C 13 31.843 0.082 . 1 . . . A 332 GLN CB . 18296 1 210 . 1 1 25 25 GLN CG C 13 33.548 0.002 . 1 . . . A 332 GLN CG . 18296 1 211 . 1 1 25 25 GLN N N 15 118.445 0.105 . 1 . . . A 332 GLN N . 18296 1 212 . 1 1 25 25 GLN NE2 N 15 112.446 0.015 . 1 . . . A 332 GLN NE2 . 18296 1 213 . 1 1 26 26 LYS H H 1 8.545 0.016 . 1 . . . A 333 LYS H . 18296 1 214 . 1 1 26 26 LYS HA H 1 4.222 0.01 . 1 . . . A 333 LYS HA . 18296 1 215 . 1 1 26 26 LYS HB2 H 1 1.652 0.003 . 2 . . . A 333 LYS HB2 . 18296 1 216 . 1 1 26 26 LYS HB3 H 1 1.652 0.003 . 2 . . . A 333 LYS HB3 . 18296 1 217 . 1 1 26 26 LYS HG2 H 1 1.279 0.006 . 2 . . . A 333 LYS HG2 . 18296 1 218 . 1 1 26 26 LYS HG3 H 1 1.279 0.006 . 2 . . . A 333 LYS HG3 . 18296 1 219 . 1 1 26 26 LYS HD2 H 1 1.505 0.007 . 2 . . . A 333 LYS HD2 . 18296 1 220 . 1 1 26 26 LYS HD3 H 1 1.505 0.007 . 2 . . . A 333 LYS HD3 . 18296 1 221 . 1 1 26 26 LYS HE2 H 1 2.806 0.009 . 2 . . . A 333 LYS HE2 . 18296 1 222 . 1 1 26 26 LYS HE3 H 1 2.806 0.009 . 2 . . . A 333 LYS HE3 . 18296 1 223 . 1 1 26 26 LYS C C 13 175.456 0.017 . 1 . . . A 333 LYS C . 18296 1 224 . 1 1 26 26 LYS CA C 13 57.729 0.093 . 1 . . . A 333 LYS CA . 18296 1 225 . 1 1 26 26 LYS CB C 13 32.925 0.079 . 1 . . . A 333 LYS CB . 18296 1 226 . 1 1 26 26 LYS CG C 13 24.785 0.043 . 1 . . . A 333 LYS CG . 18296 1 227 . 1 1 26 26 LYS CD C 13 29.159 0.015 . 1 . . . A 333 LYS CD . 18296 1 228 . 1 1 26 26 LYS N N 15 122.851 0.054 . 1 . . . A 333 LYS N . 18296 1 229 . 1 1 27 27 GLY H H 1 8.348 0.009 . 1 . . . A 334 GLY H . 18296 1 230 . 1 1 27 27 GLY HA2 H 1 3.65 0.004 . 2 . . . A 334 GLY HA2 . 18296 1 231 . 1 1 27 27 GLY HA3 H 1 3.65 0.004 . 2 . . . A 334 GLY HA3 . 18296 1 232 . 1 1 27 27 GLY C C 13 180.017 0.019 . 1 . . . A 334 GLY C . 18296 1 233 . 1 1 27 27 GLY CA C 13 45.559 0.035 . 1 . . . A 334 GLY CA . 18296 1 234 . 1 1 27 27 GLY N N 15 107.216 0.099 . 1 . . . A 334 GLY N . 18296 1 235 . 1 1 28 28 VAL H H 1 7.867 0.013 . 1 . . . A 335 VAL H . 18296 1 236 . 1 1 28 28 VAL HA H 1 4.133 0.005 . 1 . . . A 335 VAL HA . 18296 1 237 . 1 1 28 28 VAL HB H 1 1.841 0.003 . 1 . . . A 335 VAL HB . 18296 1 238 . 1 1 28 28 VAL HG11 H 1 0.606 0.007 . 2 . . . A 335 VAL HG11 . 18296 1 239 . 1 1 28 28 VAL HG12 H 1 0.606 0.007 . 2 . . . A 335 VAL HG12 . 18296 1 240 . 1 1 28 28 VAL HG13 H 1 0.606 0.007 . 2 . . . A 335 VAL HG13 . 18296 1 241 . 1 1 28 28 VAL HG21 H 1 0.646 0.008 . 2 . . . A 335 VAL HG21 . 18296 1 242 . 1 1 28 28 VAL HG22 H 1 0.646 0.008 . 2 . . . A 335 VAL HG22 . 18296 1 243 . 1 1 28 28 VAL HG23 H 1 0.646 0.008 . 2 . . . A 335 VAL HG23 . 18296 1 244 . 1 1 28 28 VAL C C 13 177.439 0.008 . 1 . . . A 335 VAL C . 18296 1 245 . 1 1 28 28 VAL CA C 13 61.502 0.05 . 1 . . . A 335 VAL CA . 18296 1 246 . 1 1 28 28 VAL CB C 13 33.563 0.065 . 1 . . . A 335 VAL CB . 18296 1 247 . 1 1 28 28 VAL CG2 C 13 19.673 0.011 . 2 . . . A 335 VAL CG2 . 18296 1 248 . 1 1 28 28 VAL N N 15 117.437 0.067 . 1 . . . A 335 VAL N . 18296 1 249 . 1 1 29 29 GLY H H 1 8.186 0.01 . 1 . . . A 336 GLY H . 18296 1 250 . 1 1 29 29 GLY HA2 H 1 3.735 0.003 . 2 . . . A 336 GLY HA2 . 18296 1 251 . 1 1 29 29 GLY HA3 H 1 3.971 0.005 . 2 . . . A 336 GLY HA3 . 18296 1 252 . 1 1 29 29 GLY C C 13 180.088 0.022 . 1 . . . A 336 GLY C . 18296 1 253 . 1 1 29 29 GLY CA C 13 44.344 0.094 . 1 . . . A 336 GLY CA . 18296 1 254 . 1 1 29 29 GLY N N 15 110.723 0.066 . 1 . . . A 336 GLY N . 18296 1 255 . 1 1 30 30 ALA H H 1 8.269 0.011 . 1 . . . A 337 ALA H . 18296 1 256 . 1 1 30 30 ALA HA H 1 4.193 0.008 . 1 . . . A 337 ALA HA . 18296 1 257 . 1 1 30 30 ALA HB1 H 1 1.242 0.005 . 1 . . . A 337 ALA HB1 . 18296 1 258 . 1 1 30 30 ALA HB2 H 1 1.242 0.005 . 1 . . . A 337 ALA HB2 . 18296 1 259 . 1 1 30 30 ALA HB3 H 1 1.242 0.005 . 1 . . . A 337 ALA HB3 . 18296 1 260 . 1 1 30 30 ALA C C 13 175.274 0.008 . 1 . . . A 337 ALA C . 18296 1 261 . 1 1 30 30 ALA CA C 13 52.904 0.098 . 1 . . . A 337 ALA CA . 18296 1 262 . 1 1 30 30 ALA CB C 13 19.677 0.184 . 1 . . . A 337 ALA CB . 18296 1 263 . 1 1 30 30 ALA N N 15 122.643 0.11 . 1 . . . A 337 ALA N . 18296 1 264 . 1 1 31 31 SER H H 1 8.415 0.016 . 1 . . . A 338 SER H . 18296 1 265 . 1 1 31 31 SER HA H 1 4.775 0.007 . 1 . . . A 338 SER HA . 18296 1 266 . 1 1 31 31 SER HB2 H 1 3.261 0.007 . 2 . . . A 338 SER HB2 . 18296 1 267 . 1 1 31 31 SER HB3 H 1 3.261 0.007 . 2 . . . A 338 SER HB3 . 18296 1 268 . 1 1 31 31 SER C C 13 180.923 0.007 . 1 . . . A 338 SER C . 18296 1 269 . 1 1 31 31 SER CA C 13 57.406 0.154 . 1 . . . A 338 SER CA . 18296 1 270 . 1 1 31 31 SER CB C 13 65.388 0.096 . 1 . . . A 338 SER CB . 18296 1 271 . 1 1 31 31 SER N N 15 117.644 0.054 . 1 . . . A 338 SER N . 18296 1 272 . 1 1 32 32 ILE H H 1 8.522 0.007 . 1 . . . A 339 ILE H . 18296 1 273 . 1 1 32 32 ILE HA H 1 4.123 0.005 . 1 . . . A 339 ILE HA . 18296 1 274 . 1 1 32 32 ILE HB H 1 1.383 0.007 . 1 . . . A 339 ILE HB . 18296 1 275 . 1 1 32 32 ILE HG12 H 1 1.043 0.009 . 2 . . . A 339 ILE HG12 . 18296 1 276 . 1 1 32 32 ILE HG13 H 1 0.795 0.01 . 2 . . . A 339 ILE HG13 . 18296 1 277 . 1 1 32 32 ILE HG21 H 1 0.549 0.004 . 1 . . . A 339 ILE HG21 . 18296 1 278 . 1 1 32 32 ILE HG22 H 1 0.549 0.004 . 1 . . . A 339 ILE HG22 . 18296 1 279 . 1 1 32 32 ILE HG23 H 1 0.549 0.004 . 1 . . . A 339 ILE HG23 . 18296 1 280 . 1 1 32 32 ILE HD11 H 1 0.579 0.011 . 1 . . . A 339 ILE HD11 . 18296 1 281 . 1 1 32 32 ILE HD12 H 1 0.579 0.011 . 1 . . . A 339 ILE HD12 . 18296 1 282 . 1 1 32 32 ILE HD13 H 1 0.579 0.011 . 1 . . . A 339 ILE HD13 . 18296 1 283 . 1 1 32 32 ILE C C 13 181.302 0.028 . 1 . . . A 339 ILE C . 18296 1 284 . 1 1 32 32 ILE CA C 13 59.768 0.081 . 1 . . . A 339 ILE CA . 18296 1 285 . 1 1 32 32 ILE CB C 13 41.252 0.036 . 1 . . . A 339 ILE CB . 18296 1 286 . 1 1 32 32 ILE CG1 C 13 26.724 0.045 . 1 . . . A 339 ILE CG1 . 18296 1 287 . 1 1 32 32 ILE CG2 C 13 18.069 0.039 . 1 . . . A 339 ILE CG2 . 18296 1 288 . 1 1 32 32 ILE CD1 C 13 14.516 0.025 . 1 . . . A 339 ILE CD1 . 18296 1 289 . 1 1 32 32 ILE N N 15 121.24 0.112 . 1 . . . A 339 ILE N . 18296 1 290 . 1 1 33 33 GLN H H 1 7.72 0.01 . 1 . . . A 340 GLN H . 18296 1 291 . 1 1 33 33 GLN HA H 1 4.335 0.007 . 1 . . . A 340 GLN HA . 18296 1 292 . 1 1 33 33 GLN HB2 H 1 1.695 0.008 . 2 . . . A 340 GLN HB2 . 18296 1 293 . 1 1 33 33 GLN HB3 H 1 1.583 0.007 . 2 . . . A 340 GLN HB3 . 18296 1 294 . 1 1 33 33 GLN HG2 H 1 1.848 0.005 . 2 . . . A 340 GLN HG2 . 18296 1 295 . 1 1 33 33 GLN HG3 H 1 2.203 0.005 . 2 . . . A 340 GLN HG3 . 18296 1 296 . 1 1 33 33 GLN HE21 H 1 7.423 0.001 . 2 . . . A 340 GLN HE21 . 18296 1 297 . 1 1 33 33 GLN HE22 H 1 6.706 0.001 . 2 . . . A 340 GLN HE22 . 18296 1 298 . 1 1 33 33 GLN C C 13 179.377 0.022 . 1 . . . A 340 GLN C . 18296 1 299 . 1 1 33 33 GLN CA C 13 53.739 0.025 . 1 . . . A 340 GLN CA . 18296 1 300 . 1 1 33 33 GLN CB C 13 32.179 0.115 . 1 . . . A 340 GLN CB . 18296 1 301 . 1 1 33 33 GLN CG C 13 34.797 0.032 . 1 . . . A 340 GLN CG . 18296 1 302 . 1 1 33 33 GLN N N 15 120.384 0.1 . 1 . . . A 340 GLN N . 18296 1 303 . 1 1 33 33 GLN NE2 N 15 112.234 0.01 . 1 . . . A 340 GLN NE2 . 18296 1 304 . 1 1 34 34 CYS H H 1 8.292 0.007 . 1 . . . A 341 CYS H . 18296 1 305 . 1 1 34 34 CYS HA H 1 4.036 0.007 . 1 . . . A 341 CYS HA . 18296 1 306 . 1 1 34 34 CYS HB2 H 1 2.989 0.002 . 2 . . . A 341 CYS HB2 . 18296 1 307 . 1 1 34 34 CYS HB3 H 1 2.9 0.009 . 2 . . . A 341 CYS HB3 . 18296 1 308 . 1 1 34 34 CYS C C 13 178.269 0.07 . 1 . . . A 341 CYS C . 18296 1 309 . 1 1 34 34 CYS CA C 13 60.992 0.008 . 1 . . . A 341 CYS CA . 18296 1 310 . 1 1 34 34 CYS CB C 13 32.346 0.246 . 1 . . . A 341 CYS CB . 18296 1 311 . 1 1 34 34 CYS N N 15 125.463 0.078 . 1 . . . A 341 CYS N . 18296 1 312 . 1 1 35 35 HIS H H 1 8.722 0.006 . 1 . . . A 342 HIS H . 18296 1 313 . 1 1 35 35 HIS HA H 1 4.128 0.006 . 1 . . . A 342 HIS HA . 18296 1 314 . 1 1 35 35 HIS HB2 H 1 2.832 0.013 . 2 . . . A 342 HIS HB2 . 18296 1 315 . 1 1 35 35 HIS HB3 H 1 2.272 0.011 . 2 . . . A 342 HIS HB3 . 18296 1 316 . 1 1 35 35 HIS HD2 H 1 6.345 0.006 . 1 . . . A 342 HIS HD2 . 18296 1 317 . 1 1 35 35 HIS HE1 H 1 7.017 0.014 . 1 . . . A 342 HIS HE1 . 18296 1 318 . 1 1 35 35 HIS CA C 13 57.556 0.069 . 1 . . . A 342 HIS CA . 18296 1 319 . 1 1 35 35 HIS CB C 13 29.945 0.031 . 1 . . . A 342 HIS CB . 18296 1 320 . 1 1 35 35 HIS N N 15 126.611 0.157 . 1 . . . A 342 HIS N . 18296 1 321 . 1 1 36 36 LYS H H 1 8.567 0.006 . 1 . . . A 343 LYS H . 18296 1 322 . 1 1 36 36 LYS HA H 1 3.94 0.007 . 1 . . . A 343 LYS HA . 18296 1 323 . 1 1 36 36 LYS HB2 H 1 1.676 0.006 . 2 . . . A 343 LYS HB2 . 18296 1 324 . 1 1 36 36 LYS HB3 H 1 1.251 0.005 . 2 . . . A 343 LYS HB3 . 18296 1 325 . 1 1 36 36 LYS HG2 H 1 0.207 0.009 . 2 . . . A 343 LYS HG2 . 18296 1 326 . 1 1 36 36 LYS HG3 H 1 0.967 0.007 . 2 . . . A 343 LYS HG3 . 18296 1 327 . 1 1 36 36 LYS HD2 H 1 1.36 0.01 . 2 . . . A 343 LYS HD2 . 18296 1 328 . 1 1 36 36 LYS HD3 H 1 0.991 0.005 . 2 . . . A 343 LYS HD3 . 18296 1 329 . 1 1 36 36 LYS HE2 H 1 2.624 0.004 . 2 . . . A 343 LYS HE2 . 18296 1 330 . 1 1 36 36 LYS HE3 H 1 2.624 0.004 . 2 . . . A 343 LYS HE3 . 18296 1 331 . 1 1 36 36 LYS C C 13 176.701 0.006 . 1 . . . A 343 LYS C . 18296 1 332 . 1 1 36 36 LYS CA C 13 56.155 0.077 . 1 . . . A 343 LYS CA . 18296 1 333 . 1 1 36 36 LYS CB C 13 33.033 0.086 . 1 . . . A 343 LYS CB . 18296 1 334 . 1 1 36 36 LYS CG C 13 23.329 0.064 . 1 . . . A 343 LYS CG . 18296 1 335 . 1 1 36 36 LYS CD C 13 28.098 0.053 . 1 . . . A 343 LYS CD . 18296 1 336 . 1 1 36 36 LYS CE C 13 42.016 0.048 . 1 . . . A 343 LYS CE . 18296 1 337 . 1 1 36 36 LYS N N 15 124.049 0.105 . 1 . . . A 343 LYS N . 18296 1 338 . 1 1 37 37 ALA H H 1 8.363 0.01 . 1 . . . A 344 ALA H . 18296 1 339 . 1 1 37 37 ALA HA H 1 3.733 0.003 . 1 . . . A 344 ALA HA . 18296 1 340 . 1 1 37 37 ALA HB1 H 1 1.095 0.004 . 1 . . . A 344 ALA HB1 . 18296 1 341 . 1 1 37 37 ALA HB2 H 1 1.095 0.004 . 1 . . . A 344 ALA HB2 . 18296 1 342 . 1 1 37 37 ALA HB3 H 1 1.095 0.004 . 1 . . . A 344 ALA HB3 . 18296 1 343 . 1 1 37 37 ALA C C 13 175.302 0.016 . 1 . . . A 344 ALA C . 18296 1 344 . 1 1 37 37 ALA CA C 13 53.917 0.046 . 1 . . . A 344 ALA CA . 18296 1 345 . 1 1 37 37 ALA CB C 13 18.206 0.177 . 1 . . . A 344 ALA CB . 18296 1 346 . 1 1 37 37 ALA N N 15 130.751 0.138 . 1 . . . A 344 ALA N . 18296 1 347 . 1 1 38 38 ASN H H 1 8.292 0.013 . 1 . . . A 345 ASN H . 18296 1 348 . 1 1 38 38 ASN HA H 1 3.885 0.005 . 1 . . . A 345 ASN HA . 18296 1 349 . 1 1 38 38 ASN HB2 H 1 2.742 0.003 . 2 . . . A 345 ASN HB2 . 18296 1 350 . 1 1 38 38 ASN HB3 H 1 2.742 0.003 . 2 . . . A 345 ASN HB3 . 18296 1 351 . 1 1 38 38 ASN HD21 H 1 7.361 0.002 . 2 . . . A 345 ASN HD21 . 18296 1 352 . 1 1 38 38 ASN HD22 H 1 6.774 0.001 . 2 . . . A 345 ASN HD22 . 18296 1 353 . 1 1 38 38 ASN C C 13 181.195 0.006 . 1 . . . A 345 ASN C . 18296 1 354 . 1 1 38 38 ASN CA C 13 53.606 0.076 . 1 . . . A 345 ASN CA . 18296 1 355 . 1 1 38 38 ASN CB C 13 37.443 0.164 . 1 . . . A 345 ASN CB . 18296 1 356 . 1 1 38 38 ASN N N 15 114.094 0.064 . 1 . . . A 345 ASN N . 18296 1 357 . 1 1 38 38 ASN ND2 N 15 113.254 0.044 . 1 . . . A 345 ASN ND2 . 18296 1 358 . 1 1 39 39 CYS H H 1 7.283 0.007 . 1 . . . A 346 CYS H . 18296 1 359 . 1 1 39 39 CYS C C 13 178.723 0.006 . 1 . . . A 346 CYS C . 18296 1 360 . 1 1 39 39 CYS N N 15 121.417 0.097 . 1 . . . A 346 CYS N . 18296 1 361 . 1 1 40 40 TYR H H 1 7.923 0.451 . 1 . . . A 347 TYR H . 18296 1 362 . 1 1 40 40 TYR HA H 1 4.212 0.011 . 1 . . . A 347 TYR HA . 18296 1 363 . 1 1 40 40 TYR HB2 H 1 2.841 0.01 . 2 . . . A 347 TYR HB2 . 18296 1 364 . 1 1 40 40 TYR HB3 H 1 2.841 0.01 . 2 . . . A 347 TYR HB3 . 18296 1 365 . 1 1 40 40 TYR HD1 H 1 6.7 0.006 . 1 . . . A 347 TYR HD1 . 18296 1 366 . 1 1 40 40 TYR HD2 H 1 6.7 0.006 . 1 . . . A 347 TYR HD2 . 18296 1 367 . 1 1 40 40 TYR C C 13 178.156 0.750 . 1 . . . A 347 TYR C . 18296 1 368 . 1 1 40 40 TYR CA C 13 56.478 0.001 . 1 . . . A 347 TYR CA . 18296 1 369 . 1 1 40 40 TYR CB C 13 37.446 0.082 . 1 . . . A 347 TYR CB . 18296 1 370 . 1 1 41 41 THR H H 1 8.421 0.011 . 1 . . . A 348 THR H . 18296 1 371 . 1 1 41 41 THR HA H 1 3.806 0.01 . 1 . . . A 348 THR HA . 18296 1 372 . 1 1 41 41 THR HB H 1 3.937 0.004 . 1 . . . A 348 THR HB . 18296 1 373 . 1 1 41 41 THR HG21 H 1 0.688 0.008 . 1 . . . A 348 THR HG21 . 18296 1 374 . 1 1 41 41 THR HG22 H 1 0.688 0.008 . 1 . . . A 348 THR HG22 . 18296 1 375 . 1 1 41 41 THR HG23 H 1 0.688 0.008 . 1 . . . A 348 THR HG23 . 18296 1 376 . 1 1 41 41 THR C C 13 182.343 0.019 . 1 . . . A 348 THR C . 18296 1 377 . 1 1 41 41 THR CA C 13 64.932 0.113 . 1 . . . A 348 THR CA . 18296 1 378 . 1 1 41 41 THR CB C 13 68.772 0.036 . 1 . . . A 348 THR CB . 18296 1 379 . 1 1 41 41 THR CG2 C 13 24.107 0.038 . 1 . . . A 348 THR CG2 . 18296 1 380 . 1 1 41 41 THR N N 15 122.674 0.086 . 1 . . . A 348 THR N . 18296 1 381 . 1 1 42 42 ALA H H 1 8.856 0.01 . 1 . . . A 349 ALA H . 18296 1 382 . 1 1 42 42 ALA HA H 1 4.967 0.009 . 1 . . . A 349 ALA HA . 18296 1 383 . 1 1 42 42 ALA HB1 H 1 1.038 0.007 . 1 . . . A 349 ALA HB1 . 18296 1 384 . 1 1 42 42 ALA HB2 H 1 1.038 0.007 . 1 . . . A 349 ALA HB2 . 18296 1 385 . 1 1 42 42 ALA HB3 H 1 1.038 0.007 . 1 . . . A 349 ALA HB3 . 18296 1 386 . 1 1 42 42 ALA C C 13 176.955 0.011 . 1 . . . A 349 ALA C . 18296 1 387 . 1 1 42 42 ALA CA C 13 49.997 0.037 . 1 . . . A 349 ALA CA . 18296 1 388 . 1 1 42 42 ALA CB C 13 23.467 0.086 . 1 . . . A 349 ALA CB . 18296 1 389 . 1 1 42 42 ALA N N 15 130.177 0.096 . 1 . . . A 349 ALA N . 18296 1 390 . 1 1 43 43 PHE H H 1 7.912 0.006 . 1 . . . A 350 PHE H . 18296 1 391 . 1 1 43 43 PHE HA H 1 5.525 0.009 . 1 . . . A 350 PHE HA . 18296 1 392 . 1 1 43 43 PHE HB2 H 1 3.417 0.01 . 2 . . . A 350 PHE HB2 . 18296 1 393 . 1 1 43 43 PHE HB3 H 1 2.838 0.009 . 2 . . . A 350 PHE HB3 . 18296 1 394 . 1 1 43 43 PHE HD1 H 1 6.716 0.007 . 1 . . . A 350 PHE HD1 . 18296 1 395 . 1 1 43 43 PHE HD2 H 1 6.716 0.007 . 1 . . . A 350 PHE HD2 . 18296 1 396 . 1 1 43 43 PHE HE1 H 1 7.179 0.01 . 3 . . . A 350 PHE HE1 . 18296 1 397 . 1 1 43 43 PHE C C 13 177.894 0.008 . 1 . . . A 350 PHE C . 18296 1 398 . 1 1 43 43 PHE CA C 13 53.625 0.057 . 1 . . . A 350 PHE CA . 18296 1 399 . 1 1 43 43 PHE CB C 13 39.459 0.047 . 1 . . . A 350 PHE CB . 18296 1 400 . 1 1 43 43 PHE N N 15 113.053 0.061 . 1 . . . A 350 PHE N . 18296 1 401 . 1 1 44 44 HIS H H 1 9.335 0.005 . 1 . . . A 351 HIS H . 18296 1 402 . 1 1 44 44 HIS HA H 1 4.892 0.006 . 1 . . . A 351 HIS HA . 18296 1 403 . 1 1 44 44 HIS HB2 H 1 3.536 0.01 . 2 . . . A 351 HIS HB2 . 18296 1 404 . 1 1 44 44 HIS HB3 H 1 3.536 0.01 . 2 . . . A 351 HIS HB3 . 18296 1 405 . 1 1 44 44 HIS HD2 H 1 6.862 0.007 . 1 . . . A 351 HIS HD2 . 18296 1 406 . 1 1 44 44 HIS HE1 H 1 7.47 0.009 . 1 . . . A 351 HIS HE1 . 18296 1 407 . 1 1 44 44 HIS C C 13 176.371 0.02 . 1 . . . A 351 HIS C . 18296 1 408 . 1 1 44 44 HIS CA C 13 58.019 0.084 . 1 . . . A 351 HIS CA . 18296 1 409 . 1 1 44 44 HIS CB C 13 31.716 0.029 . 1 . . . A 351 HIS CB . 18296 1 410 . 1 1 44 44 HIS N N 15 118.497 0.092 . 1 . . . A 351 HIS N . 18296 1 411 . 1 1 45 45 VAL H H 1 8.654 0.014 . 1 . . . A 352 VAL H . 18296 1 412 . 1 1 45 45 VAL HA H 1 3.476 0.006 . 1 . . . A 352 VAL HA . 18296 1 413 . 1 1 45 45 VAL HB H 1 1.997 0.006 . 1 . . . A 352 VAL HB . 18296 1 414 . 1 1 45 45 VAL HG11 H 1 0.78 0.003 . 2 . . . A 352 VAL HG11 . 18296 1 415 . 1 1 45 45 VAL HG12 H 1 0.78 0.003 . 2 . . . A 352 VAL HG12 . 18296 1 416 . 1 1 45 45 VAL HG13 H 1 0.78 0.003 . 2 . . . A 352 VAL HG13 . 18296 1 417 . 1 1 45 45 VAL HG21 H 1 0.86 0.009 . 2 . . . A 352 VAL HG21 . 18296 1 418 . 1 1 45 45 VAL HG22 H 1 0.86 0.009 . 2 . . . A 352 VAL HG22 . 18296 1 419 . 1 1 45 45 VAL HG23 H 1 0.86 0.009 . 2 . . . A 352 VAL HG23 . 18296 1 420 . 1 1 45 45 VAL C C 13 175.305 0.012 . 1 . . . A 352 VAL C . 18296 1 421 . 1 1 45 45 VAL CA C 13 67.359 0.082 . 1 . . . A 352 VAL CA . 18296 1 422 . 1 1 45 45 VAL CB C 13 31.627 0.091 . 1 . . . A 352 VAL CB . 18296 1 423 . 1 1 45 45 VAL CG1 C 13 20.981 0.059 . 2 . . . A 352 VAL CG1 . 18296 1 424 . 1 1 45 45 VAL CG2 C 13 22.696 0.168 . 2 . . . A 352 VAL CG2 . 18296 1 425 . 1 1 45 45 VAL N N 15 124.407 0.091 . 1 . . . A 352 VAL N . 18296 1 426 . 1 1 46 46 THR H H 1 8.37 0.008 . 1 . . . A 353 THR H . 18296 1 427 . 1 1 46 46 THR HA H 1 3.997 0.006 . 1 . . . A 353 THR HA . 18296 1 428 . 1 1 46 46 THR HB H 1 4.016 0.004 . 1 . . . A 353 THR HB . 18296 1 429 . 1 1 46 46 THR HG21 H 1 1.156 0.006 . 1 . . . A 353 THR HG21 . 18296 1 430 . 1 1 46 46 THR HG22 H 1 1.156 0.006 . 1 . . . A 353 THR HG22 . 18296 1 431 . 1 1 46 46 THR HG23 H 1 1.156 0.006 . 1 . . . A 353 THR HG23 . 18296 1 432 . 1 1 46 46 THR C C 13 175.01 0.032 . 1 . . . A 353 THR C . 18296 1 433 . 1 1 46 46 THR CA C 13 65.008 0.048 . 1 . . . A 353 THR CA . 18296 1 434 . 1 1 46 46 THR CB C 13 67.83 0.111 . 1 . . . A 353 THR CB . 18296 1 435 . 1 1 46 46 THR CG2 C 13 22.554 0.056 . 1 . . . A 353 THR CG2 . 18296 1 436 . 1 1 46 46 THR N N 15 111.166 0.069 . 1 . . . A 353 THR N . 18296 1 437 . 1 1 47 47 CYS H H 1 6.668 0.007 . 1 . . . A 354 CYS H . 18296 1 438 . 1 1 47 47 CYS HA H 1 3.762 0.006 . 1 . . . A 354 CYS HA . 18296 1 439 . 1 1 47 47 CYS HB2 H 1 2.882 0.016 . 2 . . . A 354 CYS HB2 . 18296 1 440 . 1 1 47 47 CYS HB3 H 1 2.772 0.008 . 2 . . . A 354 CYS HB3 . 18296 1 441 . 1 1 47 47 CYS C C 13 175.912 0.005 . 1 . . . A 354 CYS C . 18296 1 442 . 1 1 47 47 CYS CA C 13 63.372 0.044 . 1 . . . A 354 CYS CA . 18296 1 443 . 1 1 47 47 CYS CB C 13 29.076 0.059 . 1 . . . A 354 CYS CB . 18296 1 444 . 1 1 47 47 CYS N N 15 120.975 0.066 . 1 . . . A 354 CYS N . 18296 1 445 . 1 1 48 48 ALA H H 1 8.481 0.006 . 1 . . . A 355 ALA H . 18296 1 446 . 1 1 48 48 ALA HA H 1 3.511 0.008 . 1 . . . A 355 ALA HA . 18296 1 447 . 1 1 48 48 ALA HB1 H 1 1.368 0.008 . 1 . . . A 355 ALA HB1 . 18296 1 448 . 1 1 48 48 ALA HB2 H 1 1.368 0.008 . 1 . . . A 355 ALA HB2 . 18296 1 449 . 1 1 48 48 ALA HB3 H 1 1.368 0.008 . 1 . . . A 355 ALA HB3 . 18296 1 450 . 1 1 48 48 ALA C C 13 174.031 0.001 . 1 . . . A 355 ALA C . 18296 1 451 . 1 1 48 48 ALA CA C 13 55.045 0.086 . 1 . . . A 355 ALA CA . 18296 1 452 . 1 1 48 48 ALA CB C 13 19.962 0.049 . 1 . . . A 355 ALA CB . 18296 1 453 . 1 1 48 48 ALA N N 15 123.247 0.085 . 1 . . . A 355 ALA N . 18296 1 454 . 1 1 49 49 GLN H H 1 8.055 0.006 . 1 . . . A 356 GLN H . 18296 1 455 . 1 1 49 49 GLN HA H 1 4.003 0.002 . 1 . . . A 356 GLN HA . 18296 1 456 . 1 1 49 49 GLN HB2 H 1 2.144 0.01 . 2 . . . A 356 GLN HB2 . 18296 1 457 . 1 1 49 49 GLN HB3 H 1 1.945 0.008 . 2 . . . A 356 GLN HB3 . 18296 1 458 . 1 1 49 49 GLN HG2 H 1 2.177 0.009 . 2 . . . A 356 GLN HG2 . 18296 1 459 . 1 1 49 49 GLN HG3 H 1 2.416 0.006 . 2 . . . A 356 GLN HG3 . 18296 1 460 . 1 1 49 49 GLN HE21 H 1 7.231 0.001 . 2 . . . A 356 GLN HE21 . 18296 1 461 . 1 1 49 49 GLN HE22 H 1 6.619 0.001 . 2 . . . A 356 GLN HE22 . 18296 1 462 . 1 1 49 49 GLN C C 13 173.755 0.004 . 1 . . . A 356 GLN C . 18296 1 463 . 1 1 49 49 GLN CA C 13 58.728 0.132 . 1 . . . A 356 GLN CA . 18296 1 464 . 1 1 49 49 GLN CB C 13 28.196 0.057 . 1 . . . A 356 GLN CB . 18296 1 465 . 1 1 49 49 GLN CG C 13 34.235 0.011 . 1 . . . A 356 GLN CG . 18296 1 466 . 1 1 49 49 GLN N N 15 118.15 0.063 . 1 . . . A 356 GLN N . 18296 1 467 . 1 1 50 50 LYS H H 1 7.628 0.008 . 1 . . . A 357 LYS H . 18296 1 468 . 1 1 50 50 LYS HA H 1 3.866 0.009 . 1 . . . A 357 LYS HA . 18296 1 469 . 1 1 50 50 LYS HB2 H 1 1.751 0.004 . 2 . . . A 357 LYS HB2 . 18296 1 470 . 1 1 50 50 LYS HB3 H 1 1.467 0.004 . 2 . . . A 357 LYS HB3 . 18296 1 471 . 1 1 50 50 LYS HG2 H 1 1.289 0.006 . 2 . . . A 357 LYS HG2 . 18296 1 472 . 1 1 50 50 LYS HG3 H 1 1.422 0.008 . 2 . . . A 357 LYS HG3 . 18296 1 473 . 1 1 50 50 LYS HE2 H 1 2.775 0.011 . 2 . . . A 357 LYS HE2 . 18296 1 474 . 1 1 50 50 LYS HE3 H 1 2.775 0.011 . 2 . . . A 357 LYS HE3 . 18296 1 475 . 1 1 50 50 LYS C C 13 175.624 0.017 . 1 . . . A 357 LYS C . 18296 1 476 . 1 1 50 50 LYS CA C 13 58.989 0.063 . 1 . . . A 357 LYS CA . 18296 1 477 . 1 1 50 50 LYS CB C 13 32.377 0.105 . 1 . . . A 357 LYS CB . 18296 1 478 . 1 1 50 50 LYS CG C 13 25.081 0.076 . 1 . . . A 357 LYS CG . 18296 1 479 . 1 1 50 50 LYS CE C 13 41.673 0.013 . 1 . . . A 357 LYS CE . 18296 1 480 . 1 1 50 50 LYS N N 15 120.248 0.092 . 1 . . . A 357 LYS N . 18296 1 481 . 1 1 51 51 ALA H H 1 7.558 0.008 . 1 . . . A 358 ALA H . 18296 1 482 . 1 1 51 51 ALA HA H 1 4.138 0.002 . 1 . . . A 358 ALA HA . 18296 1 483 . 1 1 51 51 ALA HB1 H 1 1.204 0.002 . 1 . . . A 358 ALA HB1 . 18296 1 484 . 1 1 51 51 ALA HB2 H 1 1.204 0.002 . 1 . . . A 358 ALA HB2 . 18296 1 485 . 1 1 51 51 ALA HB3 H 1 1.204 0.002 . 1 . . . A 358 ALA HB3 . 18296 1 486 . 1 1 51 51 ALA C C 13 176.132 0.012 . 1 . . . A 358 ALA C . 18296 1 487 . 1 1 51 51 ALA CA C 13 52.263 0.042 . 1 . . . A 358 ALA CA . 18296 1 488 . 1 1 51 51 ALA CB C 13 19.69 0.039 . 1 . . . A 358 ALA CB . 18296 1 489 . 1 1 51 51 ALA N N 15 118.343 0.108 . 1 . . . A 358 ALA N . 18296 1 490 . 1 1 52 52 GLY H H 1 7.481 0.006 . 1 . . . A 359 GLY H . 18296 1 491 . 1 1 52 52 GLY HA2 H 1 3.796 0.007 . 2 . . . A 359 GLY HA2 . 18296 1 492 . 1 1 52 52 GLY HA3 H 1 3.796 0.007 . 2 . . . A 359 GLY HA3 . 18296 1 493 . 1 1 52 52 GLY C C 13 178.221 0.02 . 1 . . . A 359 GLY C . 18296 1 494 . 1 1 52 52 GLY CA C 13 46.323 0.054 . 1 . . . A 359 GLY CA . 18296 1 495 . 1 1 52 52 GLY N N 15 107.058 0.049 . 1 . . . A 359 GLY N . 18296 1 496 . 1 1 53 53 LEU H H 1 7.502 0.013 . 1 . . . A 360 LEU H . 18296 1 497 . 1 1 53 53 LEU HA H 1 4.002 0.01 . 1 . . . A 360 LEU HA . 18296 1 498 . 1 1 53 53 LEU HB2 H 1 1.628 0.009 . 2 . . . A 360 LEU HB2 . 18296 1 499 . 1 1 53 53 LEU HB3 H 1 1.032 0.004 . 2 . . . A 360 LEU HB3 . 18296 1 500 . 1 1 53 53 LEU HG H 1 1.365 0.006 . 1 . . . A 360 LEU HG . 18296 1 501 . 1 1 53 53 LEU HD11 H 1 0.504 0.006 . 2 . . . A 360 LEU HD11 . 18296 1 502 . 1 1 53 53 LEU HD12 H 1 0.504 0.006 . 2 . . . A 360 LEU HD12 . 18296 1 503 . 1 1 53 53 LEU HD13 H 1 0.504 0.006 . 2 . . . A 360 LEU HD13 . 18296 1 504 . 1 1 53 53 LEU HD21 H 1 0.16 0.008 . 2 . . . A 360 LEU HD21 . 18296 1 505 . 1 1 53 53 LEU HD22 H 1 0.16 0.008 . 2 . . . A 360 LEU HD22 . 18296 1 506 . 1 1 53 53 LEU HD23 H 1 0.16 0.008 . 2 . . . A 360 LEU HD23 . 18296 1 507 . 1 1 53 53 LEU C C 13 176.917 0.008 . 1 . . . A 360 LEU C . 18296 1 508 . 1 1 53 53 LEU CA C 13 54.926 0.072 . 1 . . . A 360 LEU CA . 18296 1 509 . 1 1 53 53 LEU CB C 13 39.949 0.054 . 1 . . . A 360 LEU CB . 18296 1 510 . 1 1 53 53 LEU CG C 13 27.551 0.032 . 1 . . . A 360 LEU CG . 18296 1 511 . 1 1 53 53 LEU CD1 C 13 21.527 0.021 . 2 . . . A 360 LEU CD1 . 18296 1 512 . 1 1 53 53 LEU CD2 C 13 24.143 0.041 . 2 . . . A 360 LEU CD2 . 18296 1 513 . 1 1 53 53 LEU N N 15 118.335 0.07 . 1 . . . A 360 LEU N . 18296 1 514 . 1 1 54 54 TYR H H 1 9.307 0.008 . 1 . . . A 361 TYR H . 18296 1 515 . 1 1 54 54 TYR HA H 1 4.024 0.005 . 1 . . . A 361 TYR HA . 18296 1 516 . 1 1 54 54 TYR HB2 H 1 3.057 0.028 . 2 . . . A 361 TYR HB2 . 18296 1 517 . 1 1 54 54 TYR HB3 H 1 2.877 0.008 . 2 . . . A 361 TYR HB3 . 18296 1 518 . 1 1 54 54 TYR HD1 H 1 6.993 0.009 . 1 . . . A 361 TYR HD1 . 18296 1 519 . 1 1 54 54 TYR HD2 H 1 6.993 0.009 . 1 . . . A 361 TYR HD2 . 18296 1 520 . 1 1 54 54 TYR HE1 H 1 6.616 0.005 . 1 . . . A 361 TYR HE1 . 18296 1 521 . 1 1 54 54 TYR HE2 H 1 6.616 0.005 . 1 . . . A 361 TYR HE2 . 18296 1 522 . 1 1 54 54 TYR C C 13 178.584 0.015 . 1 . . . A 361 TYR C . 18296 1 523 . 1 1 54 54 TYR CA C 13 59.385 0.099 . 1 . . . A 361 TYR CA . 18296 1 524 . 1 1 54 54 TYR CB C 13 39.068 0.071 . 1 . . . A 361 TYR CB . 18296 1 525 . 1 1 54 54 TYR N N 15 124.191 0.08 . 1 . . . A 361 TYR N . 18296 1 526 . 1 1 55 55 MET H H 1 7.575 0.011 . 1 . . . A 362 MET H . 18296 1 527 . 1 1 55 55 MET HA H 1 4.953 0.005 . 1 . . . A 362 MET HA . 18296 1 528 . 1 1 55 55 MET HB2 H 1 1.736 0.009 . 2 . . . A 362 MET HB2 . 18296 1 529 . 1 1 55 55 MET HB3 H 1 1.736 0.009 . 2 . . . A 362 MET HB3 . 18296 1 530 . 1 1 55 55 MET HG2 H 1 2.236 0.002 . 2 . . . A 362 MET HG2 . 18296 1 531 . 1 1 55 55 MET HG3 H 1 2.144 0.009 . 2 . . . A 362 MET HG3 . 18296 1 532 . 1 1 55 55 MET HE1 H 1 0.572 0.003 . 1 . . . A 362 MET HE1 . 18296 1 533 . 1 1 55 55 MET HE2 H 1 0.572 0.003 . 1 . . . A 362 MET HE2 . 18296 1 534 . 1 1 55 55 MET HE3 H 1 0.572 0.003 . 1 . . . A 362 MET HE3 . 18296 1 535 . 1 1 55 55 MET C C 13 179.342 0.003 . 1 . . . A 362 MET C . 18296 1 536 . 1 1 55 55 MET CA C 13 54.918 0.079 . 1 . . . A 362 MET CA . 18296 1 537 . 1 1 55 55 MET CB C 13 35.857 0.096 . 1 . . . A 362 MET CB . 18296 1 538 . 1 1 55 55 MET CG C 13 31.541 0.005 . 1 . . . A 362 MET CG . 18296 1 539 . 1 1 55 55 MET N N 15 127.473 0.087 . 1 . . . A 362 MET N . 18296 1 540 . 1 1 56 56 LYS H H 1 8.575 0.01 . 1 . . . A 363 LYS H . 18296 1 541 . 1 1 56 56 LYS HA H 1 4.339 0.011 . 1 . . . A 363 LYS HA . 18296 1 542 . 1 1 56 56 LYS HB2 H 1 1.551 0.008 . 2 . . . A 363 LYS HB2 . 18296 1 543 . 1 1 56 56 LYS HB3 H 1 1.367 0.007 . 2 . . . A 363 LYS HB3 . 18296 1 544 . 1 1 56 56 LYS HG2 H 1 0.973 0.005 . 2 . . . A 363 LYS HG2 . 18296 1 545 . 1 1 56 56 LYS HG3 H 1 0.973 0.005 . 2 . . . A 363 LYS HG3 . 18296 1 546 . 1 1 56 56 LYS HD2 H 1 1.468 0.001 . 2 . . . A 363 LYS HD2 . 18296 1 547 . 1 1 56 56 LYS HD3 H 1 1.468 0.001 . 2 . . . A 363 LYS HD3 . 18296 1 548 . 1 1 56 56 LYS HE2 H 1 2.682 0.007 . 2 . . . A 363 LYS HE2 . 18296 1 549 . 1 1 56 56 LYS HE3 H 1 2.635 0.001 . 2 . . . A 363 LYS HE3 . 18296 1 550 . 1 1 56 56 LYS C C 13 178.541 0.027 . 1 . . . A 363 LYS C . 18296 1 551 . 1 1 56 56 LYS CA C 13 54.939 0.144 . 1 . . . A 363 LYS CA . 18296 1 552 . 1 1 56 56 LYS CB C 13 35.977 0.04 . 1 . . . A 363 LYS CB . 18296 1 553 . 1 1 56 56 LYS CG C 13 24.717 0.009 . 1 . . . A 363 LYS CG . 18296 1 554 . 1 1 56 56 LYS CE C 13 41.799 0.011 . 1 . . . A 363 LYS CE . 18296 1 555 . 1 1 56 56 LYS N N 15 124.429 0.092 . 1 . . . A 363 LYS N . 18296 1 556 . 1 1 57 57 MET H H 1 8.484 0.009 . 1 . . . A 364 MET H . 18296 1 557 . 1 1 57 57 MET HA H 1 4.801 0.004 . 1 . . . A 364 MET HA . 18296 1 558 . 1 1 57 57 MET HB2 H 1 1.836 0.002 . 2 . . . A 364 MET HB2 . 18296 1 559 . 1 1 57 57 MET HB3 H 1 1.583 0.006 . 2 . . . A 364 MET HB3 . 18296 1 560 . 1 1 57 57 MET HG2 H 1 2.28 0.001 . 2 . . . A 364 MET HG2 . 18296 1 561 . 1 1 57 57 MET HG3 H 1 2.377 0.002 . 2 . . . A 364 MET HG3 . 18296 1 562 . 1 1 57 57 MET HE1 H 1 0.632 0.004 . 1 . . . A 364 MET HE1 . 18296 1 563 . 1 1 57 57 MET HE2 H 1 0.632 0.004 . 1 . . . A 364 MET HE2 . 18296 1 564 . 1 1 57 57 MET HE3 H 1 0.632 0.004 . 1 . . . A 364 MET HE3 . 18296 1 565 . 1 1 57 57 MET C C 13 178.016 0.750 . 1 . . . A 364 MET C . 18296 1 566 . 1 1 57 57 MET CA C 13 54.111 0.005 . 1 . . . A 364 MET CA . 18296 1 567 . 1 1 57 57 MET CG C 13 32.383 0.027 . 1 . . . A 364 MET CG . 18296 1 568 . 1 1 57 57 MET N N 15 123.35 0.128 . 1 . . . A 364 MET N . 18296 1 569 . 1 1 58 58 GLU H H 1 8.193 0.001 . 1 . . . A 365 GLU H . 18296 1 570 . 1 1 58 58 GLU HB2 H 1 1.834 0.008 . 2 . . . A 365 GLU HB2 . 18296 1 571 . 1 1 58 58 GLU HB3 H 1 1.834 0.008 . 2 . . . A 365 GLU HB3 . 18296 1 572 . 1 1 58 58 GLU HG2 H 1 2.282 0.008 . 2 . . . A 365 GLU HG2 . 18296 1 573 . 1 1 58 58 GLU HG3 H 1 2.282 0.008 . 2 . . . A 365 GLU HG3 . 18296 1 574 . 1 1 58 58 GLU N N 15 121.319 0.043 . 1 . . . A 365 GLU N . 18296 1 575 . 1 1 59 59 PRO HA H 1 4.665 0.013 . 1 . . . A 366 PRO HA . 18296 1 576 . 1 1 59 59 PRO HB2 H 1 2.04 0.004 . 2 . . . A 366 PRO HB2 . 18296 1 577 . 1 1 59 59 PRO HB3 H 1 1.68 0.006 . 2 . . . A 366 PRO HB3 . 18296 1 578 . 1 1 59 59 PRO HG2 H 1 1.944 0.002 . 2 . . . A 366 PRO HG2 . 18296 1 579 . 1 1 59 59 PRO HG3 H 1 1.785 0.014 . 2 . . . A 366 PRO HG3 . 18296 1 580 . 1 1 59 59 PRO HD2 H 1 3.642 0.01 . 2 . . . A 366 PRO HD2 . 18296 1 581 . 1 1 59 59 PRO HD3 H 1 3.4 0.011 . 2 . . . A 366 PRO HD3 . 18296 1 582 . 1 1 59 59 PRO C C 13 176.742 0.006 . 1 . . . A 366 PRO C . 18296 1 583 . 1 1 59 59 PRO CA C 13 62.524 0.021 . 1 . . . A 366 PRO CA . 18296 1 584 . 1 1 59 59 PRO CB C 13 32.125 0.066 . 1 . . . A 366 PRO CB . 18296 1 585 . 1 1 59 59 PRO CG C 13 27.485 0.015 . 1 . . . A 366 PRO CG . 18296 1 586 . 1 1 59 59 PRO CD C 13 50.909 0.037 . 1 . . . A 366 PRO CD . 18296 1 587 . 1 1 60 60 VAL H H 1 8.509 0.009 . 1 . . . A 367 VAL H . 18296 1 588 . 1 1 60 60 VAL HA H 1 4.105 0.011 . 1 . . . A 367 VAL HA . 18296 1 589 . 1 1 60 60 VAL HB H 1 1.826 0.009 . 1 . . . A 367 VAL HB . 18296 1 590 . 1 1 60 60 VAL HG11 H 1 0.6 0.004 . 2 . . . A 367 VAL HG11 . 18296 1 591 . 1 1 60 60 VAL HG12 H 1 0.6 0.004 . 2 . . . A 367 VAL HG12 . 18296 1 592 . 1 1 60 60 VAL HG13 H 1 0.6 0.004 . 2 . . . A 367 VAL HG13 . 18296 1 593 . 1 1 60 60 VAL HG21 H 1 0.69 0.004 . 2 . . . A 367 VAL HG21 . 18296 1 594 . 1 1 60 60 VAL HG22 H 1 0.69 0.004 . 2 . . . A 367 VAL HG22 . 18296 1 595 . 1 1 60 60 VAL HG23 H 1 0.69 0.004 . 2 . . . A 367 VAL HG23 . 18296 1 596 . 1 1 60 60 VAL C C 13 178.435 0.017 . 1 . . . A 367 VAL C . 18296 1 597 . 1 1 60 60 VAL CA C 13 61.529 0.109 . 1 . . . A 367 VAL CA . 18296 1 598 . 1 1 60 60 VAL CB C 13 34.057 0.043 . 1 . . . A 367 VAL CB . 18296 1 599 . 1 1 60 60 VAL CG1 C 13 19.666 0.01 . 2 . . . A 367 VAL CG1 . 18296 1 600 . 1 1 60 60 VAL CG2 C 13 21.015 0.083 . 2 . . . A 367 VAL CG2 . 18296 1 601 . 1 1 60 60 VAL N N 15 122.754 0.08 . 1 . . . A 367 VAL N . 18296 1 602 . 1 1 61 61 LYS H H 1 8.379 0.012 . 1 . . . A 368 LYS H . 18296 1 603 . 1 1 61 61 LYS HA H 1 4.18 0.005 . 1 . . . A 368 LYS HA . 18296 1 604 . 1 1 61 61 LYS HB2 H 1 1.48 0.012 . 2 . . . A 368 LYS HB2 . 18296 1 605 . 1 1 61 61 LYS HB3 H 1 1.48 0.012 . 2 . . . A 368 LYS HB3 . 18296 1 606 . 1 1 61 61 LYS HG2 H 1 1.024 0.003 . 2 . . . A 368 LYS HG2 . 18296 1 607 . 1 1 61 61 LYS HG3 H 1 1.024 0.003 . 2 . . . A 368 LYS HG3 . 18296 1 608 . 1 1 61 61 LYS HD2 H 1 0.856 0.015 . 2 . . . A 368 LYS HD2 . 18296 1 609 . 1 1 61 61 LYS HD3 H 1 0.856 0.015 . 2 . . . A 368 LYS HD3 . 18296 1 610 . 1 1 61 61 LYS HE2 H 1 2.746 0.005 . 2 . . . A 368 LYS HE2 . 18296 1 611 . 1 1 61 61 LYS HE3 H 1 2.746 0.005 . 2 . . . A 368 LYS HE3 . 18296 1 612 . 1 1 61 61 LYS C C 13 177.499 0.014 . 1 . . . A 368 LYS C . 18296 1 613 . 1 1 61 61 LYS CA C 13 56.047 0.049 . 1 . . . A 368 LYS CA . 18296 1 614 . 1 1 61 61 LYS CB C 13 33.313 0.093 . 1 . . . A 368 LYS CB . 18296 1 615 . 1 1 61 61 LYS CG C 13 24.731 0.034 . 1 . . . A 368 LYS CG . 18296 1 616 . 1 1 61 61 LYS CD C 13 29.326 0.399 . 1 . . . A 368 LYS CD . 18296 1 617 . 1 1 61 61 LYS N N 15 126.381 0.084 . 1 . . . A 368 LYS N . 18296 1 618 . 1 1 62 62 GLU H H 1 8.355 0.007 . 1 . . . A 369 GLU H . 18296 1 619 . 1 1 62 62 GLU HA H 1 4.246 0.003 . 1 . . . A 369 GLU HA . 18296 1 620 . 1 1 62 62 GLU HB2 H 1 1.783 0.009 . 2 . . . A 369 GLU HB2 . 18296 1 621 . 1 1 62 62 GLU HB3 H 1 1.669 0.006 . 2 . . . A 369 GLU HB3 . 18296 1 622 . 1 1 62 62 GLU HG2 H 1 1.985 0.003 . 2 . . . A 369 GLU HG2 . 18296 1 623 . 1 1 62 62 GLU HG3 H 1 1.985 0.003 . 2 . . . A 369 GLU HG3 . 18296 1 624 . 1 1 62 62 GLU C C 13 177.861 0.009 . 1 . . . A 369 GLU C . 18296 1 625 . 1 1 62 62 GLU CA C 13 55.596 0.101 . 1 . . . A 369 GLU CA . 18296 1 626 . 1 1 62 62 GLU CB C 13 31.289 0.048 . 1 . . . A 369 GLU CB . 18296 1 627 . 1 1 62 62 GLU CG C 13 36.176 0.014 . 1 . . . A 369 GLU CG . 18296 1 628 . 1 1 62 62 GLU N N 15 123.927 0.08 . 1 . . . A 369 GLU N . 18296 1 629 . 1 1 63 63 LEU H H 1 8.419 0.012 . 1 . . . A 370 LEU H . 18296 1 630 . 1 1 63 63 LEU HA H 1 4.356 0.007 . 1 . . . A 370 LEU HA . 18296 1 631 . 1 1 63 63 LEU HB2 H 1 1.445 0.004 . 2 . . . A 370 LEU HB2 . 18296 1 632 . 1 1 63 63 LEU HB3 H 1 1.445 0.004 . 2 . . . A 370 LEU HB3 . 18296 1 633 . 1 1 63 63 LEU HG H 1 1.432 0.002 . 1 . . . A 370 LEU HG . 18296 1 634 . 1 1 63 63 LEU HD11 H 1 0.71 0.001 . 2 . . . A 370 LEU HD11 . 18296 1 635 . 1 1 63 63 LEU HD12 H 1 0.71 0.001 . 2 . . . A 370 LEU HD12 . 18296 1 636 . 1 1 63 63 LEU HD13 H 1 0.71 0.001 . 2 . . . A 370 LEU HD13 . 18296 1 637 . 1 1 63 63 LEU HD21 H 1 0.649 0.006 . 2 . . . A 370 LEU HD21 . 18296 1 638 . 1 1 63 63 LEU HD22 H 1 0.649 0.006 . 2 . . . A 370 LEU HD22 . 18296 1 639 . 1 1 63 63 LEU HD23 H 1 0.649 0.006 . 2 . . . A 370 LEU HD23 . 18296 1 640 . 1 1 63 63 LEU C C 13 176.026 0.012 . 1 . . . A 370 LEU C . 18296 1 641 . 1 1 63 63 LEU CA C 13 55.223 0.14 . 1 . . . A 370 LEU CA . 18296 1 642 . 1 1 63 63 LEU CB C 13 42.061 0.085 . 1 . . . A 370 LEU CB . 18296 1 643 . 1 1 63 63 LEU CG C 13 27.076 0.018 . 1 . . . A 370 LEU CG . 18296 1 644 . 1 1 63 63 LEU CD1 C 13 24.689 0.029 . 2 . . . A 370 LEU CD1 . 18296 1 645 . 1 1 63 63 LEU CD2 C 13 23.622 0.056 . 2 . . . A 370 LEU CD2 . 18296 1 646 . 1 1 63 63 LEU N N 15 124.406 0.098 . 1 . . . A 370 LEU N . 18296 1 647 . 1 1 64 64 THR H H 1 7.966 0.008 . 1 . . . A 371 THR H . 18296 1 648 . 1 1 64 64 THR HA H 1 4.306 0.008 . 1 . . . A 371 THR HA . 18296 1 649 . 1 1 64 64 THR HB H 1 4.087 0.008 . 1 . . . A 371 THR HB . 18296 1 650 . 1 1 64 64 THR HG21 H 1 0.983 0.006 . 1 . . . A 371 THR HG21 . 18296 1 651 . 1 1 64 64 THR HG22 H 1 0.983 0.006 . 1 . . . A 371 THR HG22 . 18296 1 652 . 1 1 64 64 THR HG23 H 1 0.983 0.006 . 1 . . . A 371 THR HG23 . 18296 1 653 . 1 1 64 64 THR C C 13 178.158 0.019 . 1 . . . A 371 THR C . 18296 1 654 . 1 1 64 64 THR CA C 13 61.196 0.057 . 1 . . . A 371 THR CA . 18296 1 655 . 1 1 64 64 THR CB C 13 70.416 0.163 . 1 . . . A 371 THR CB . 18296 1 656 . 1 1 64 64 THR CG2 C 13 21.271 0.021 . 1 . . . A 371 THR CG2 . 18296 1 657 . 1 1 64 64 THR N N 15 114.722 0.058 . 1 . . . A 371 THR N . 18296 1 658 . 1 1 65 65 GLY H H 1 8.565 0.014 . 1 . . . A 372 GLY H . 18296 1 659 . 1 1 65 65 GLY HA2 H 1 3.4 0.001 . 2 . . . A 372 GLY HA2 . 18296 1 660 . 1 1 65 65 GLY HA3 H 1 3.795 0.009 . 2 . . . A 372 GLY HA3 . 18296 1 661 . 1 1 65 65 GLY C C 13 178.512 0.013 . 1 . . . A 372 GLY C . 18296 1 662 . 1 1 65 65 GLY CA C 13 46.227 0.036 . 1 . . . A 372 GLY CA . 18296 1 663 . 1 1 65 65 GLY N N 15 111.711 0.057 . 1 . . . A 372 GLY N . 18296 1 664 . 1 1 66 66 GLY H H 1 8.227 0.011 . 1 . . . A 373 GLY H . 18296 1 665 . 1 1 66 66 GLY HA2 H 1 3.815 0.002 . 2 . . . A 373 GLY HA2 . 18296 1 666 . 1 1 66 66 GLY HA3 H 1 3.815 0.002 . 2 . . . A 373 GLY HA3 . 18296 1 667 . 1 1 66 66 GLY C C 13 178.999 0.003 . 1 . . . A 373 GLY C . 18296 1 668 . 1 1 66 66 GLY CA C 13 45.287 0.14 . 1 . . . A 373 GLY CA . 18296 1 669 . 1 1 66 66 GLY N N 15 108.771 0.079 . 1 . . . A 373 GLY N . 18296 1 670 . 1 1 67 67 GLY H H 1 7.876 0.027 . 1 . . . A 374 GLY H . 18296 1 671 . 1 1 67 67 GLY HA2 H 1 3.904 0.006 . 2 . . . A 374 GLY HA2 . 18296 1 672 . 1 1 67 67 GLY HA3 H 1 3.904 0.006 . 2 . . . A 374 GLY HA3 . 18296 1 673 . 1 1 67 67 GLY C C 13 179.721 0.002 . 1 . . . A 374 GLY C . 18296 1 674 . 1 1 67 67 GLY CA C 13 44.987 0.083 . 1 . . . A 374 GLY CA . 18296 1 675 . 1 1 67 67 GLY N N 15 108.901 0.072 . 1 . . . A 374 GLY N . 18296 1 676 . 1 1 68 68 THR H H 1 8.112 0.014 . 1 . . . A 375 THR H . 18296 1 677 . 1 1 68 68 THR HA H 1 4.45 0.011 . 1 . . . A 375 THR HA . 18296 1 678 . 1 1 68 68 THR HB H 1 3.942 0.003 . 1 . . . A 375 THR HB . 18296 1 679 . 1 1 68 68 THR HG21 H 1 0.866 0.002 . 1 . . . A 375 THR HG21 . 18296 1 680 . 1 1 68 68 THR HG22 H 1 0.866 0.002 . 1 . . . A 375 THR HG22 . 18296 1 681 . 1 1 68 68 THR HG23 H 1 0.866 0.002 . 1 . . . A 375 THR HG23 . 18296 1 682 . 1 1 68 68 THR C C 13 178.997 0.013 . 1 . . . A 375 THR C . 18296 1 683 . 1 1 68 68 THR CA C 13 61.9 0.117 . 1 . . . A 375 THR CA . 18296 1 684 . 1 1 68 68 THR CB C 13 70.047 0.166 . 1 . . . A 375 THR CB . 18296 1 685 . 1 1 68 68 THR CG2 C 13 21.773 0.02 . 1 . . . A 375 THR CG2 . 18296 1 686 . 1 1 68 68 THR N N 15 114.505 0.067 . 1 . . . A 375 THR N . 18296 1 687 . 1 1 69 69 THR H H 1 8.259 0.009 . 1 . . . A 376 THR H . 18296 1 688 . 1 1 69 69 THR HA H 1 4.302 0.012 . 1 . . . A 376 THR HA . 18296 1 689 . 1 1 69 69 THR HB H 1 3.945 0.004 . 1 . . . A 376 THR HB . 18296 1 690 . 1 1 69 69 THR HG21 H 1 0.949 0.002 . 1 . . . A 376 THR HG21 . 18296 1 691 . 1 1 69 69 THR HG22 H 1 0.949 0.002 . 1 . . . A 376 THR HG22 . 18296 1 692 . 1 1 69 69 THR HG23 H 1 0.949 0.002 . 1 . . . A 376 THR HG23 . 18296 1 693 . 1 1 69 69 THR C C 13 180.403 0.028 . 1 . . . A 376 THR C . 18296 1 694 . 1 1 69 69 THR CA C 13 61.114 0.035 . 1 . . . A 376 THR CA . 18296 1 695 . 1 1 69 69 THR CB C 13 70.422 0.067 . 1 . . . A 376 THR CB . 18296 1 696 . 1 1 69 69 THR CG2 C 13 21.416 0.006 . 1 . . . A 376 THR CG2 . 18296 1 697 . 1 1 69 69 THR N N 15 118.054 0.066 . 1 . . . A 376 THR N . 18296 1 698 . 1 1 70 70 PHE H H 1 8.351 0.014 . 1 . . . A 377 PHE H . 18296 1 699 . 1 1 70 70 PHE HA H 1 4.91 0.007 . 1 . . . A 377 PHE HA . 18296 1 700 . 1 1 70 70 PHE HB2 H 1 2.906 0.005 . 2 . . . A 377 PHE HB2 . 18296 1 701 . 1 1 70 70 PHE HB3 H 1 2.759 0.005 . 2 . . . A 377 PHE HB3 . 18296 1 702 . 1 1 70 70 PHE HD1 H 1 6.999 0.007 . 1 . . . A 377 PHE HD1 . 18296 1 703 . 1 1 70 70 PHE HD2 H 1 6.999 0.007 . 1 . . . A 377 PHE HD2 . 18296 1 704 . 1 1 70 70 PHE C C 13 177.972 0.001 . 1 . . . A 377 PHE C . 18296 1 705 . 1 1 70 70 PHE CA C 13 57.227 0.09 . 1 . . . A 377 PHE CA . 18296 1 706 . 1 1 70 70 PHE CB C 13 40.873 0.048 . 1 . . . A 377 PHE CB . 18296 1 707 . 1 1 70 70 PHE N N 15 122.009 0.086 . 1 . . . A 377 PHE N . 18296 1 708 . 1 1 71 71 SER H H 1 8.519 0.008 . 1 . . . A 378 SER H . 18296 1 709 . 1 1 71 71 SER HA H 1 4.493 0.007 . 1 . . . A 378 SER HA . 18296 1 710 . 1 1 71 71 SER HB2 H 1 3.626 0.004 . 2 . . . A 378 SER HB2 . 18296 1 711 . 1 1 71 71 SER HB3 H 1 3.626 0.004 . 2 . . . A 378 SER HB3 . 18296 1 712 . 1 1 71 71 SER C C 13 180.063 0.022 . 1 . . . A 378 SER C . 18296 1 713 . 1 1 71 71 SER CA C 13 57.276 0.152 . 1 . . . A 378 SER CA . 18296 1 714 . 1 1 71 71 SER CB C 13 64.612 0.122 . 1 . . . A 378 SER CB . 18296 1 715 . 1 1 71 71 SER N N 15 117.853 0.088 . 1 . . . A 378 SER N . 18296 1 716 . 1 1 72 72 VAL H H 1 8.277 0.011 . 1 . . . A 379 VAL H . 18296 1 717 . 1 1 72 72 VAL HA H 1 4.441 0.008 . 1 . . . A 379 VAL HA . 18296 1 718 . 1 1 72 72 VAL HB H 1 1.729 0.005 . 1 . . . A 379 VAL HB . 18296 1 719 . 1 1 72 72 VAL HG11 H 1 0.628 0.002 . 2 . . . A 379 VAL HG11 . 18296 1 720 . 1 1 72 72 VAL HG12 H 1 0.628 0.002 . 2 . . . A 379 VAL HG12 . 18296 1 721 . 1 1 72 72 VAL HG13 H 1 0.628 0.002 . 2 . . . A 379 VAL HG13 . 18296 1 722 . 1 1 72 72 VAL HG21 H 1 0.693 0.007 . 2 . . . A 379 VAL HG21 . 18296 1 723 . 1 1 72 72 VAL HG22 H 1 0.693 0.007 . 2 . . . A 379 VAL HG22 . 18296 1 724 . 1 1 72 72 VAL HG23 H 1 0.693 0.007 . 2 . . . A 379 VAL HG23 . 18296 1 725 . 1 1 72 72 VAL C C 13 178.192 0.006 . 1 . . . A 379 VAL C . 18296 1 726 . 1 1 72 72 VAL CA C 13 61.369 0.039 . 1 . . . A 379 VAL CA . 18296 1 727 . 1 1 72 72 VAL CB C 13 33.944 0.058 . 1 . . . A 379 VAL CB . 18296 1 728 . 1 1 72 72 VAL CG1 C 13 21.743 0.045 . 2 . . . A 379 VAL CG1 . 18296 1 729 . 1 1 72 72 VAL CG2 C 13 20.547 0.039 . 2 . . . A 379 VAL CG2 . 18296 1 730 . 1 1 72 72 VAL N N 15 120.162 0.084 . 1 . . . A 379 VAL N . 18296 1 731 . 1 1 73 73 ARG H H 1 8.727 0.007 . 1 . . . A 380 ARG H . 18296 1 732 . 1 1 73 73 ARG HA H 1 4.43 0.005 . 1 . . . A 380 ARG HA . 18296 1 733 . 1 1 73 73 ARG HB2 H 1 1.583 0.019 . 2 . . . A 380 ARG HB2 . 18296 1 734 . 1 1 73 73 ARG HB3 H 1 1.553 0.067 . 2 . . . A 380 ARG HB3 . 18296 1 735 . 1 1 73 73 ARG HG2 H 1 1.411 0.004 . 2 . . . A 380 ARG HG2 . 18296 1 736 . 1 1 73 73 ARG HG3 H 1 1.333 0.004 . 2 . . . A 380 ARG HG3 . 18296 1 737 . 1 1 73 73 ARG HD2 H 1 2.985 0.002 . 2 . . . A 380 ARG HD2 . 18296 1 738 . 1 1 73 73 ARG HD3 H 1 2.985 0.002 . 2 . . . A 380 ARG HD3 . 18296 1 739 . 1 1 73 73 ARG C C 13 177.524 0.75 . 1 . . . A 380 ARG C . 18296 1 740 . 1 1 73 73 ARG CA C 13 54.744 0.085 . 1 . . . A 380 ARG CA . 18296 1 741 . 1 1 73 73 ARG CB C 13 32.635 0.075 . 1 . . . A 380 ARG CB . 18296 1 742 . 1 1 73 73 ARG CG C 13 26.792 0.027 . 1 . . . A 380 ARG CG . 18296 1 743 . 1 1 73 73 ARG CD C 13 43.395 0.012 . 1 . . . A 380 ARG CD . 18296 1 744 . 1 1 73 73 ARG N N 15 126.538 0.103 . 1 . . . A 380 ARG N . 18296 1 745 . 1 1 74 74 LYS H H 1 8.636 0.014 . 1 . . . A 381 LYS H . 18296 1 746 . 1 1 74 74 LYS HA H 1 4.613 0.005 . 1 . . . A 381 LYS HA . 18296 1 747 . 1 1 74 74 LYS HB2 H 1 1.487 0.008 . 2 . . . A 381 LYS HB2 . 18296 1 748 . 1 1 74 74 LYS HB3 H 1 1.487 0.008 . 2 . . . A 381 LYS HB3 . 18296 1 749 . 1 1 74 74 LYS HG2 H 1 1.217 0.011 . 2 . . . A 381 LYS HG2 . 18296 1 750 . 1 1 74 74 LYS HG3 H 1 1.103 0.005 . 2 . . . A 381 LYS HG3 . 18296 1 751 . 1 1 74 74 LYS HD2 H 1 1.453 0.002 . 2 . . . A 381 LYS HD2 . 18296 1 752 . 1 1 74 74 LYS HD3 H 1 1.453 0.002 . 2 . . . A 381 LYS HD3 . 18296 1 753 . 1 1 74 74 LYS HE2 H 1 2.754 0.01 . 2 . . . A 381 LYS HE2 . 18296 1 754 . 1 1 74 74 LYS HE3 H 1 2.754 0.01 . 2 . . . A 381 LYS HE3 . 18296 1 755 . 1 1 74 74 LYS C C 13 178.050 0.034 . 1 . . . A 381 LYS C . 18296 1 756 . 1 1 74 74 LYS CA C 13 56.325 0.098 . 1 . . . A 381 LYS CA . 18296 1 757 . 1 1 74 74 LYS CB C 13 33.149 0.088 . 1 . . . A 381 LYS CB . 18296 1 758 . 1 1 74 74 LYS CG C 13 25.26 0.028 . 1 . . . A 381 LYS CG . 18296 1 759 . 1 1 74 74 LYS CD C 13 29.164 0.033 . 1 . . . A 381 LYS CD . 18296 1 760 . 1 1 74 74 LYS N N 15 126.485 0.066 . 1 . . . A 381 LYS N . 18296 1 761 . 1 1 75 75 THR H H 1 8.544 0.011 . 1 . . . A 382 THR H . 18296 1 762 . 1 1 75 75 THR HA H 1 3.791 0.007 . 1 . . . A 382 THR HA . 18296 1 763 . 1 1 75 75 THR HB H 1 3.628 0.007 . 1 . . . A 382 THR HB . 18296 1 764 . 1 1 75 75 THR HG21 H 1 0.55 0.005 . 1 . . . A 382 THR HG21 . 18296 1 765 . 1 1 75 75 THR HG22 H 1 0.55 0.005 . 1 . . . A 382 THR HG22 . 18296 1 766 . 1 1 75 75 THR HG23 H 1 0.55 0.005 . 1 . . . A 382 THR HG23 . 18296 1 767 . 1 1 75 75 THR C C 13 181.578 0.003 . 1 . . . A 382 THR C . 18296 1 768 . 1 1 75 75 THR CA C 13 61.703 0.141 . 1 . . . A 382 THR CA . 18296 1 769 . 1 1 75 75 THR CB C 13 70.771 0.122 . 1 . . . A 382 THR CB . 18296 1 770 . 1 1 75 75 THR CG2 C 13 21.114 0.063 . 1 . . . A 382 THR CG2 . 18296 1 771 . 1 1 75 75 THR N N 15 120.767 0.058 . 1 . . . A 382 THR N . 18296 1 772 . 1 1 76 76 ALA H H 1 7.981 0.024 . 1 . . . A 383 ALA H . 18296 1 773 . 1 1 76 76 ALA HA H 1 5.358 0.007 . 1 . . . A 383 ALA HA . 18296 1 774 . 1 1 76 76 ALA HB1 H 1 1.325 0.006 . 1 . . . A 383 ALA HB1 . 18296 1 775 . 1 1 76 76 ALA HB2 H 1 1.325 0.006 . 1 . . . A 383 ALA HB2 . 18296 1 776 . 1 1 76 76 ALA HB3 H 1 1.325 0.006 . 1 . . . A 383 ALA HB3 . 18296 1 777 . 1 1 76 76 ALA C C 13 178.931 0.001 . 1 . . . A 383 ALA C . 18296 1 778 . 1 1 76 76 ALA CA C 13 50.669 0.083 . 1 . . . A 383 ALA CA . 18296 1 779 . 1 1 76 76 ALA CB C 13 24.682 0.079 . 1 . . . A 383 ALA CB . 18296 1 780 . 1 1 76 76 ALA N N 15 126.39 0.09 . 1 . . . A 383 ALA N . 18296 1 781 . 1 1 77 77 TYR H H 1 7.899 0.005 . 1 . . . A 384 TYR H . 18296 1 782 . 1 1 77 77 TYR HA H 1 5.92 0.02 . 1 . . . A 384 TYR HA . 18296 1 783 . 1 1 77 77 TYR HB2 H 1 3.025 0.009 . 2 . . . A 384 TYR HB2 . 18296 1 784 . 1 1 77 77 TYR HB3 H 1 2.513 0.005 . 2 . . . A 384 TYR HB3 . 18296 1 785 . 1 1 77 77 TYR HD1 H 1 6.972 0.007 . 1 . . . A 384 TYR HD1 . 18296 1 786 . 1 1 77 77 TYR HD2 H 1 6.972 0.007 . 1 . . . A 384 TYR HD2 . 18296 1 787 . 1 1 77 77 TYR HE1 H 1 6.445 0.029 . 3 . . . A 384 TYR HE1 . 18296 1 788 . 1 1 77 77 TYR HE2 H 1 6.63 0.008 . 3 . . . A 384 TYR HE2 . 18296 1 789 . 1 1 77 77 TYR C C 13 177.384 0.003 . 1 . . . A 384 TYR C . 18296 1 790 . 1 1 77 77 TYR CA C 13 56.234 0.043 . 1 . . . A 384 TYR CA . 18296 1 791 . 1 1 77 77 TYR CB C 13 43.201 0.035 . 1 . . . A 384 TYR CB . 18296 1 792 . 1 1 77 77 TYR N N 15 116.182 0.077 . 1 . . . A 384 TYR N . 18296 1 793 . 1 1 78 78 CYS H H 1 9.855 0.007 . 1 . . . A 385 CYS H . 18296 1 794 . 1 1 78 78 CYS HA H 1 4.312 0.008 . 1 . . . A 385 CYS HA . 18296 1 795 . 1 1 78 78 CYS HB2 H 1 2.962 0.005 . 2 . . . A 385 CYS HB2 . 18296 1 796 . 1 1 78 78 CYS HB3 H 1 2.669 0.017 . 2 . . . A 385 CYS HB3 . 18296 1 797 . 1 1 78 78 CYS C C 13 178.543 0.025 . 1 . . . A 385 CYS C . 18296 1 798 . 1 1 78 78 CYS CA C 13 58.293 0.041 . 1 . . . A 385 CYS CA . 18296 1 799 . 1 1 78 78 CYS CB C 13 29.815 0.062 . 1 . . . A 385 CYS CB . 18296 1 800 . 1 1 78 78 CYS N N 15 121.146 0.08 . 1 . . . A 385 CYS N . 18296 1 801 . 1 1 79 79 ASP H H 1 7.657 0.007 . 1 . . . A 386 ASP H . 18296 1 802 . 1 1 79 79 ASP HA H 1 3.946 0.003 . 1 . . . A 386 ASP HA . 18296 1 803 . 1 1 79 79 ASP HB2 H 1 2.59 0.01 . 2 . . . A 386 ASP HB2 . 18296 1 804 . 1 1 79 79 ASP HB3 H 1 2.429 0.004 . 2 . . . A 386 ASP HB3 . 18296 1 805 . 1 1 79 79 ASP C C 13 175.51 0.011 . 1 . . . A 386 ASP C . 18296 1 806 . 1 1 79 79 ASP CA C 13 57.118 0.117 . 1 . . . A 386 ASP CA . 18296 1 807 . 1 1 79 79 ASP CB C 13 40.495 0.05 . 1 . . . A 386 ASP CB . 18296 1 808 . 1 1 79 79 ASP N N 15 115.334 0.085 . 1 . . . A 386 ASP N . 18296 1 809 . 1 1 80 80 VAL H H 1 7.601 0.006 . 1 . . . A 387 VAL H . 18296 1 810 . 1 1 80 80 VAL HA H 1 3.579 0.003 . 1 . . . A 387 VAL HA . 18296 1 811 . 1 1 80 80 VAL HB H 1 1.326 0.006 . 1 . . . A 387 VAL HB . 18296 1 812 . 1 1 80 80 VAL HG11 H 1 0.452 0.004 . 2 . . . A 387 VAL HG11 . 18296 1 813 . 1 1 80 80 VAL HG12 H 1 0.452 0.004 . 2 . . . A 387 VAL HG12 . 18296 1 814 . 1 1 80 80 VAL HG13 H 1 0.452 0.004 . 2 . . . A 387 VAL HG13 . 18296 1 815 . 1 1 80 80 VAL HG21 H 1 0.364 0.007 . 2 . . . A 387 VAL HG21 . 18296 1 816 . 1 1 80 80 VAL HG22 H 1 0.364 0.007 . 2 . . . A 387 VAL HG22 . 18296 1 817 . 1 1 80 80 VAL HG23 H 1 0.364 0.007 . 2 . . . A 387 VAL HG23 . 18296 1 818 . 1 1 80 80 VAL C C 13 176.437 0.016 . 1 . . . A 387 VAL C . 18296 1 819 . 1 1 80 80 VAL CA C 13 64.272 0.083 . 1 . . . A 387 VAL CA . 18296 1 820 . 1 1 80 80 VAL CB C 13 31.798 0.106 . 1 . . . A 387 VAL CB . 18296 1 821 . 1 1 80 80 VAL CG1 C 13 21.281 0.068 . 2 . . . A 387 VAL CG1 . 18296 1 822 . 1 1 80 80 VAL CG2 C 13 20.729 0.151 . 2 . . . A 387 VAL CG2 . 18296 1 823 . 1 1 80 80 VAL N N 15 119.872 0.051 . 1 . . . A 387 VAL N . 18296 1 824 . 1 1 81 81 HIS H H 1 7.385 0.007 . 1 . . . A 388 HIS H . 18296 1 825 . 1 1 81 81 HIS HA H 1 4.632 0.007 . 1 . . . A 388 HIS HA . 18296 1 826 . 1 1 81 81 HIS HB2 H 1 3.314 0.011 . 2 . . . A 388 HIS HB2 . 18296 1 827 . 1 1 81 81 HIS HB3 H 1 2.945 0.007 . 2 . . . A 388 HIS HB3 . 18296 1 828 . 1 1 81 81 HIS HD2 H 1 7.025 0.043 . 1 . . . A 388 HIS HD2 . 18296 1 829 . 1 1 81 81 HIS C C 13 180.644 0.031 . 1 . . . A 388 HIS C . 18296 1 830 . 1 1 81 81 HIS CA C 13 56.212 0.066 . 1 . . . A 388 HIS CA . 18296 1 831 . 1 1 81 81 HIS CB C 13 31.774 0.065 . 1 . . . A 388 HIS CB . 18296 1 832 . 1 1 81 81 HIS N N 15 119.244 0.083 . 1 . . . A 388 HIS N . 18296 1 833 . 1 1 82 82 THR H H 1 7.133 0.005 . 1 . . . A 389 THR H . 18296 1 834 . 1 1 82 82 THR HA H 1 3.733 0.009 . 1 . . . A 389 THR HA . 18296 1 835 . 1 1 82 82 THR HB H 1 3.759 0.008 . 1 . . . A 389 THR HB . 18296 1 836 . 1 1 82 82 THR HG21 H 1 1.105 0.003 . 1 . . . A 389 THR HG21 . 18296 1 837 . 1 1 82 82 THR HG22 H 1 1.105 0.003 . 1 . . . A 389 THR HG22 . 18296 1 838 . 1 1 82 82 THR HG23 H 1 1.105 0.003 . 1 . . . A 389 THR HG23 . 18296 1 839 . 1 1 82 82 THR C C 13 181.155 0.75 . 1 . . . A 389 THR C . 18296 1 840 . 1 1 82 82 THR CA C 13 61.844 0.011 . 1 . . . A 389 THR CA . 18296 1 841 . 1 1 82 82 THR CB C 13 70.285 0.054 . 1 . . . A 389 THR CB . 18296 1 842 . 1 1 82 82 THR CG2 C 13 21.291 0.006 . 1 . . . A 389 THR CG2 . 18296 1 843 . 1 1 82 82 THR N N 15 117.899 0.082 . 1 . . . A 389 THR N . 18296 1 844 . 1 1 83 83 PRO HA H 1 4.192 0.007 . 1 . . . A 390 PRO HA . 18296 1 845 . 1 1 83 83 PRO HB2 H 1 1.791 0.004 . 2 . . . A 390 PRO HB2 . 18296 1 846 . 1 1 83 83 PRO HB3 H 1 1.333 0.002 . 2 . . . A 390 PRO HB3 . 18296 1 847 . 1 1 83 83 PRO HG2 H 1 0.80 0.014 . 2 . . . A 390 PRO HG2 . 18296 1 848 . 1 1 83 83 PRO HG3 H 1 0.80 0.014 . 2 . . . A 390 PRO HG3 . 18296 1 849 . 1 1 83 83 PRO HD2 H 1 2.973 0.006 . 2 . . . A 390 PRO HD2 . 18296 1 850 . 1 1 83 83 PRO HD3 H 1 2.973 0.006 . 2 . . . A 390 PRO HD3 . 18296 1 851 . 1 1 83 83 PRO CA C 13 61.509 0.009 . 1 . . . A 390 PRO CA . 18296 1 852 . 1 1 83 83 PRO CB C 13 30.773 0.01 . 1 . . . A 390 PRO CB . 18296 1 853 . 1 1 84 84 PRO HA H 1 4.22 0.012 . 1 . . . A 391 PRO HA . 18296 1 854 . 1 1 84 84 PRO HB2 H 1 2.096 0.005 . 2 . . . A 391 PRO HB2 . 18296 1 855 . 1 1 84 84 PRO HB3 H 1 1.759 0.018 . 2 . . . A 391 PRO HB3 . 18296 1 856 . 1 1 84 84 PRO HG2 H 1 1.329 0.002 . 2 . . . A 391 PRO HG2 . 18296 1 857 . 1 1 84 84 PRO HG3 H 1 1.329 0.002 . 2 . . . A 391 PRO HG3 . 18296 1 858 . 1 1 84 84 PRO HD2 H 1 3.544 0.01 . 2 . . . A 391 PRO HD2 . 18296 1 859 . 1 1 84 84 PRO HD3 H 1 3.369 0.006 . 2 . . . A 391 PRO HD3 . 18296 1 860 . 1 1 84 84 PRO C C 13 175.949 0.75 . 1 . . . A 391 PRO C . 18296 1 861 . 1 1 84 84 PRO CA C 13 63.032 0.034 . 1 . . . A 391 PRO CA . 18296 1 862 . 1 1 84 84 PRO CB C 13 31.983 0.065 . 1 . . . A 391 PRO CB . 18296 1 863 . 1 1 84 84 PRO CD C 13 50.541 0.019 . 1 . . . A 391 PRO CD . 18296 1 864 . 1 1 85 85 GLY H H 1 8.367 0.012 . 1 . . . A 392 GLY H . 18296 1 865 . 1 1 85 85 GLY HA2 H 1 3.647 0.011 . 2 . . . A 392 GLY HA2 . 18296 1 866 . 1 1 85 85 GLY HA3 H 1 3.822 0.002 . 2 . . . A 392 GLY HA3 . 18296 1 867 . 1 1 85 85 GLY C C 13 179.223 0.007 . 1 . . . A 392 GLY C . 18296 1 868 . 1 1 85 85 GLY CA C 13 45.359 0.047 . 1 . . . A 392 GLY CA . 18296 1 869 . 1 1 85 85 GLY N N 15 109.626 0.063 . 1 . . . A 392 GLY N . 18296 1 870 . 1 1 86 86 SER H H 1 8.022 0.009 . 1 . . . A 393 SER H . 18296 1 871 . 1 1 86 86 SER HA H 1 4.354 0.004 . 1 . . . A 393 SER HA . 18296 1 872 . 1 1 86 86 SER HB2 H 1 3.691 0.007 . 2 . . . A 393 SER HB2 . 18296 1 873 . 1 1 86 86 SER HB3 H 1 3.691 0.007 . 2 . . . A 393 SER HB3 . 18296 1 874 . 1 1 86 86 SER C C 13 179.569 0.001 . 1 . . . A 393 SER C . 18296 1 875 . 1 1 86 86 SER CA C 13 58.521 0.029 . 1 . . . A 393 SER CA . 18296 1 876 . 1 1 86 86 SER CB C 13 63.913 0.222 . 1 . . . A 393 SER CB . 18296 1 877 . 1 1 86 86 SER N N 15 115.675 0.081 . 1 . . . A 393 SER N . 18296 1 878 . 1 1 87 87 THR H H 1 7.681 0.009 . 1 . . . A 394 THR H . 18296 1 879 . 1 1 87 87 THR HB H 1 4.021 0.002 . 1 . . . A 394 THR HB . 18296 1 880 . 1 1 87 87 THR HG21 H 1 0.989 0.003 . 1 . . . A 394 THR HG21 . 18296 1 881 . 1 1 87 87 THR HG22 H 1 0.989 0.003 . 1 . . . A 394 THR HG22 . 18296 1 882 . 1 1 87 87 THR HG23 H 1 0.989 0.003 . 1 . . . A 394 THR HG23 . 18296 1 883 . 1 1 87 87 THR C C 13 181.882 0.75 . 1 . . . A 394 THR C . 18296 1 884 . 1 1 87 87 THR CA C 13 70.731 0.104 . 1 . . . A 394 THR CA . 18296 1 885 . 1 1 87 87 THR CB C 13 63.135 0.037 . 1 . . . A 394 THR CB . 18296 1 886 . 1 1 87 87 THR CG2 C 13 21.825 0.061 . 1 . . . A 394 THR CG2 . 18296 1 887 . 1 1 87 87 THR N N 15 120.449 0.091 . 1 . . . A 394 THR N . 18296 1 stop_ save_