data_27271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27271 _Entry.Title ; Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-03 _Entry.Accession_date 2017-10-03 _Entry.Last_release_date 2017-10-04 _Entry.Original_release_date 2017-10-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Charles Schmidt . R. . . 27271 2 Aravinda Kuntimaddi . . . . 27271 3 Benjamin Leach . I. . . 27271 4 John Bushweller . H. . . 27271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 27271 '15N chemical shifts' 104 27271 '1H chemical shifts' 691 27271 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-10-01 . original BMRB . 27271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18094 'AF4-AF9 complex' 27271 BMRB 19516 'Dot1L in complex with AF9 (Dot1L-AF9)' 27271 BMRB 25677 'CBX8 in complex with AF9 (CBX8-AF9)' 27271 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27271 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Direct Recruitment of BCoR, but not CBX8, is Required for MLL-AF9 Leukemia ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Charles Schmidt . R. . . 27271 1 2 Nicholas Achille . J. . . 27271 1 3 Aravinda Kuntimaddi . . . . 27271 1 4 Adam Boulton . M. . . 27271 1 5 Benjamin Leach . I. . . 27271 1 6 Nancy Zeleznik-Le . J. . . 27271 1 7 John Bushweller . H. . . 27271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27271 _Assembly.ID 1 _Assembly.Name BCoR-AF9 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 AF9 1 $AF9 A . yes native no no . . . 27271 1 2 BCoR 2 $BCoR A . yes native no no . . . 27271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AF9 _Entity.Sf_category entity _Entity.Sf_framecode AF9 _Entity.Entry_ID 27271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AF9 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDKAYLDELVELHRRLMTLR ERHILQQIVNLIEETGHFHI TNTTFDFDLCSLDKTTVRKL QSYLETSGTS ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'AHD Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes NCBI P42568 . AF9 . . . . . . . . . . . . . . 27271 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 1 499 MET . 27271 1 2 500 ASP . 27271 1 3 501 LYS . 27271 1 4 502 ALA . 27271 1 5 503 TYR . 27271 1 6 504 LEU . 27271 1 7 505 ASP . 27271 1 8 506 GLU . 27271 1 9 507 LEU . 27271 1 10 508 VAL . 27271 1 11 509 GLU . 27271 1 12 510 LEU . 27271 1 13 511 HIS . 27271 1 14 512 ARG . 27271 1 15 513 ARG . 27271 1 16 514 LEU . 27271 1 17 515 MET . 27271 1 18 516 THR . 27271 1 19 517 LEU . 27271 1 20 518 ARG . 27271 1 21 519 GLU . 27271 1 22 520 ARG . 27271 1 23 521 HIS . 27271 1 24 522 ILE . 27271 1 25 523 LEU . 27271 1 26 524 GLN . 27271 1 27 525 GLN . 27271 1 28 526 ILE . 27271 1 29 527 VAL . 27271 1 30 528 ASN . 27271 1 31 529 LEU . 27271 1 32 530 ILE . 27271 1 33 531 GLU . 27271 1 34 532 GLU . 27271 1 35 533 THR . 27271 1 36 534 GLY . 27271 1 37 535 HIS . 27271 1 38 536 PHE . 27271 1 39 537 HIS . 27271 1 40 538 ILE . 27271 1 41 539 THR . 27271 1 42 540 ASN . 27271 1 43 541 THR . 27271 1 44 542 THR . 27271 1 45 543 PHE . 27271 1 46 544 ASP . 27271 1 47 545 PHE . 27271 1 48 546 ASP . 27271 1 49 547 LEU . 27271 1 50 548 CYS . 27271 1 51 549 SER . 27271 1 52 550 LEU . 27271 1 53 551 ASP . 27271 1 54 552 LYS . 27271 1 55 553 THR . 27271 1 56 554 THR . 27271 1 57 555 VAL . 27271 1 58 556 ARG . 27271 1 59 557 LYS . 27271 1 60 558 LEU . 27271 1 61 559 GLN . 27271 1 62 560 SER . 27271 1 63 561 TYR . 27271 1 64 562 LEU . 27271 1 65 563 GLU . 27271 1 66 564 THR . 27271 1 67 565 SER . 27271 1 68 566 GLY . 27271 1 69 567 THR . 27271 1 70 568 SER . 27271 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 27271 1 . ASP 2 2 27271 1 . LYS 3 3 27271 1 . ALA 4 4 27271 1 . TYR 5 5 27271 1 . LEU 6 6 27271 1 . ASP 7 7 27271 1 . GLU 8 8 27271 1 . LEU 9 9 27271 1 . VAL 10 10 27271 1 . GLU 11 11 27271 1 . LEU 12 12 27271 1 . HIS 13 13 27271 1 . ARG 14 14 27271 1 . ARG 15 15 27271 1 . LEU 16 16 27271 1 . MET 17 17 27271 1 . THR 18 18 27271 1 . LEU 19 19 27271 1 . ARG 20 20 27271 1 . GLU 21 21 27271 1 . ARG 22 22 27271 1 . HIS 23 23 27271 1 . ILE 24 24 27271 1 . LEU 25 25 27271 1 . GLN 26 26 27271 1 . GLN 27 27 27271 1 . ILE 28 28 27271 1 . VAL 29 29 27271 1 . ASN 30 30 27271 1 . LEU 31 31 27271 1 . ILE 32 32 27271 1 . GLU 33 33 27271 1 . GLU 34 34 27271 1 . THR 35 35 27271 1 . GLY 36 36 27271 1 . HIS 37 37 27271 1 . PHE 38 38 27271 1 . HIS 39 39 27271 1 . ILE 40 40 27271 1 . THR 41 41 27271 1 . ASN 42 42 27271 1 . THR 43 43 27271 1 . THR 44 44 27271 1 . PHE 45 45 27271 1 . ASP 46 46 27271 1 . PHE 47 47 27271 1 . ASP 48 48 27271 1 . LEU 49 49 27271 1 . CYS 50 50 27271 1 . SER 51 51 27271 1 . LEU 52 52 27271 1 . ASP 53 53 27271 1 . LYS 54 54 27271 1 . THR 55 55 27271 1 . THR 56 56 27271 1 . VAL 57 57 27271 1 . ARG 58 58 27271 1 . LYS 59 59 27271 1 . LEU 60 60 27271 1 . GLN 61 61 27271 1 . SER 62 62 27271 1 . TYR 63 63 27271 1 . LEU 64 64 27271 1 . GLU 65 65 27271 1 . THR 66 66 27271 1 . SER 67 67 27271 1 . GLY 68 68 27271 1 . THR 69 69 27271 1 . SER 70 70 27271 1 stop_ save_ save_BCoR _Entity.Sf_category entity _Entity.Sf_framecode BCoR _Entity.Entry_ID 27271 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name BCoR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTTNSSSNHLEDPHYSELTN LKVCIELTGLHPKK ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes NCBI Q6W2J9 . BCoR . . . . . . . . . . . . . . 27271 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 1174 GLY . 27271 2 2 1175 THR . 27271 2 3 1176 THR . 27271 2 4 1177 ASN . 27271 2 5 1178 SER . 27271 2 6 1179 SER . 27271 2 7 1180 SER . 27271 2 8 1181 ASN . 27271 2 9 1182 HIS . 27271 2 10 1183 LEU . 27271 2 11 1184 GLU . 27271 2 12 1185 ASP . 27271 2 13 1186 PRO . 27271 2 14 1187 HIS . 27271 2 15 1188 TYR . 27271 2 16 1189 SER . 27271 2 17 1190 GLU . 27271 2 18 1191 LEU . 27271 2 19 1192 THR . 27271 2 20 1193 ASN . 27271 2 21 1194 LEU . 27271 2 22 1195 LYS . 27271 2 23 1196 VAL . 27271 2 24 1197 CYS . 27271 2 25 1198 ILE . 27271 2 26 1199 GLU . 27271 2 27 1200 LEU . 27271 2 28 1201 THR . 27271 2 29 1202 GLY . 27271 2 30 1203 LEU . 27271 2 31 1204 HIS . 27271 2 32 1205 PRO . 27271 2 33 1206 LYS . 27271 2 34 1207 LYS . 27271 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27271 2 . THR 2 2 27271 2 . THR 3 3 27271 2 . ASN 4 4 27271 2 . SER 5 5 27271 2 . SER 6 6 27271 2 . SER 7 7 27271 2 . ASN 8 8 27271 2 . HIS 9 9 27271 2 . LEU 10 10 27271 2 . GLU 11 11 27271 2 . ASP 12 12 27271 2 . PRO 13 13 27271 2 . HIS 14 14 27271 2 . TYR 15 15 27271 2 . SER 16 16 27271 2 . GLU 17 17 27271 2 . LEU 18 18 27271 2 . THR 19 19 27271 2 . ASN 20 20 27271 2 . LEU 21 21 27271 2 . LYS 22 22 27271 2 . VAL 23 23 27271 2 . CYS 24 24 27271 2 . ILE 25 25 27271 2 . GLU 26 26 27271 2 . LEU 27 27 27271 2 . THR 28 28 27271 2 . GLY 29 29 27271 2 . LEU 30 30 27271 2 . HIS 31 31 27271 2 . PRO 32 32 27271 2 . LYS 33 33 27271 2 . LYS 34 34 27271 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 27271 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AF9 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27271 1 2 2 $BCoR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27271 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 27271 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AF9 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET Duet' . . . 27271 1 2 2 $BCoR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET Duet' . . . 27271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_BCoR-AF9 _Sample.Sf_category sample _Sample.Sf_framecode BCoR-AF9 _Sample.Entry_ID 27271 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AF9 '[U-100% 13C; U-100% 15N]' . . 1 $AF9 . . 750 . . uM . . . . 27271 1 2 BCoR '[U-100% 13C; U-100% 15N]' . . 2 $BCoR . . 750 . . uM . . . . 27271 1 3 Bis-Tris 'natural abundance' . . . . . . 9.3 . . mM . . . . 27271 1 4 MES 'natural abundance' . . . . . . 15.8 . . mM . . . . 27271 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27271 1 6 D2O [U-2H] . . . . . . 5 . . % . . . . 27271 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 27271 1 8 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27271 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 27271 _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' 100 . mM 27271 1 pH 6.0 . pH 27271 1 pressure 1 . atm 27271 1 temperature 298 . K 27271 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27271 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27271 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27271 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27271 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27271 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27271 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27271 _Software.ID 3 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27271 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27271 3 'peak picking' 27271 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27271 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27271 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27271 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 27271 _Software.ID 5 _Software.Type . _Software.Name X-PLOR_NIH _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 27271 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 27271 5 'structure solution' 27271 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 27271 _Software.ID 6 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 27271 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27271 6 stop_ save_ save_PyMOL _Software.Sf_category software _Software.Sf_framecode PyMOL _Software.Entry_ID 27271 _Software.ID 7 _Software.Type . _Software.Name PyMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schr dinger' . . 27271 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27271 7 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 27271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27271 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27271 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 27271 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27271 1 2 spectrometer_2 Bruker Avance . 800 . . . 27271 1 3 spectrometer_3 Varian INOVA . 600 . . . 27271 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 27271 _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 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27271 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27271 1 3 '3D HNCO' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27271 1 4 '3D HNHA' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27271 1 5 '3D HNCACB' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27271 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27271 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27271 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27271 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27271 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27271 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $BCoR-AF9 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27271 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 27271 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 27271 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27271 1 N 15 'liquid anhydrous ammonia' 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27271 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 27271 _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 _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' . . . 27271 1 2 '2D 1H-13C HSQC' . . . 27271 1 3 '3D HNCO' . . . 27271 1 4 '3D HNHA' . . . 27271 1 5 '3D HNCACB' . . . 27271 1 6 '3D CBCA(CO)NH' . . . 27271 1 7 '3D HCCH-TOCSY' . . . 27271 1 8 '3D C(CO)NH' . . . 27271 1 9 '3D 1H-13C NOESY aromatic' . . . 27271 1 10 '3D 1H-13C NOESY aliphatic' . . . 27271 1 11 '3D 1H-15N NOESY' . . . 27271 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.627 0.004 . 1 . . . . . 500 ASP HA . 27271 1 2 . 1 1 2 2 ASP HB2 H 1 2.734 0.029 . 2 . . . . . 500 ASP HB2 . 27271 1 3 . 1 1 2 2 ASP HB3 H 1 2.702 0.022 . 2 . . . . . 500 ASP HB3 . 27271 1 4 . 1 1 2 2 ASP C C 13 173.26 0.000 . 1 . . . . . 500 ASP C . 27271 1 5 . 1 1 2 2 ASP CA C 13 51.205 0.075 . 1 . . . . . 500 ASP CA . 27271 1 6 . 1 1 2 2 ASP CB C 13 39.238 0.074 . 1 . . . . . 500 ASP CB . 27271 1 7 . 1 1 3 3 LYS H H 1 8.619 0.013 . 1 . . . . . 501 LYS HN . 27271 1 8 . 1 1 3 3 LYS HA H 1 3.89 0.014 . 1 . . . . . 501 LYS HA . 27271 1 9 . 1 1 3 3 LYS HB2 H 1 1.754 0.028 . 2 . . . . . 501 LYS HB2 . 27271 1 10 . 1 1 3 3 LYS HB3 H 1 1.804 0.008 . 2 . . . . . 501 LYS HB3 . 27271 1 11 . 1 1 3 3 LYS HG2 H 1 1.407 0.009 . 2 . . . . . 501 LYS HG2 . 27271 1 12 . 1 1 3 3 LYS HG3 H 1 1.409 0.017 . 2 . . . . . 501 LYS HG3 . 27271 1 13 . 1 1 3 3 LYS C C 13 174.402 0.000 . 1 . . . . . 501 LYS C . 27271 1 14 . 1 1 3 3 LYS CA C 13 56.566 0.078 . 1 . . . . . 501 LYS CA . 27271 1 15 . 1 1 3 3 LYS CB C 13 29.987 0.132 . 1 . . . . . 501 LYS CB . 27271 1 16 . 1 1 3 3 LYS CG C 13 22.268 0.027 . 1 . . . . . 501 LYS CG . 27271 1 17 . 1 1 3 3 LYS CD C 13 26.078 0.000 . 1 . . . . . 501 LYS CD . 27271 1 18 . 1 1 3 3 LYS N N 15 125.466 0.127 . 1 . . . . . 501 LYS N . 27271 1 19 . 1 1 4 4 ALA H H 1 8.259 0.023 . 1 . . . . . 502 ALA HN . 27271 1 20 . 1 1 4 4 ALA HA H 1 4.163 0.004 . 1 . . . . . 502 ALA HA . 27271 1 21 . 1 1 4 4 ALA HB1 H 1 1.435 0.008 . 1 . . . . . 502 ALA QB . 27271 1 22 . 1 1 4 4 ALA HB2 H 1 1.435 0.008 . 1 . . . . . 502 ALA QB . 27271 1 23 . 1 1 4 4 ALA HB3 H 1 1.435 0.008 . 1 . . . . . 502 ALA QB . 27271 1 24 . 1 1 4 4 ALA C C 13 177.803 0.000 . 1 . . . . . 502 ALA C . 27271 1 25 . 1 1 4 4 ALA CA C 13 52.237 0.064 . 1 . . . . . 502 ALA CA . 27271 1 26 . 1 1 4 4 ALA CB C 13 15.393 0.073 . 1 . . . . . 502 ALA CB . 27271 1 27 . 1 1 4 4 ALA N N 15 119.991 0.141 . 1 . . . . . 502 ALA N . 27271 1 28 . 1 1 5 5 TYR H H 1 7.687 0.012 . 1 . . . . . 503 TYR HN . 27271 1 29 . 1 1 5 5 TYR HA H 1 4.485 0.016 . 1 . . . . . 503 TYR HA . 27271 1 30 . 1 1 5 5 TYR HB2 H 1 3.186 0.014 . 2 . . . . . 503 TYR HB2 . 27271 1 31 . 1 1 5 5 TYR HB3 H 1 2.86 0.029 . 2 . . . . . 503 TYR HB3 . 27271 1 32 . 1 1 5 5 TYR HD1 H 1 7.128 0.004 . 3 . . . . . 503 TYR QD . 27271 1 33 . 1 1 5 5 TYR HD2 H 1 7.128 0.004 . 3 . . . . . 503 TYR QD . 27271 1 34 . 1 1 5 5 TYR HE1 H 1 6.698 0.003 . 3 . . . . . 503 TYR QE . 27271 1 35 . 1 1 5 5 TYR HE2 H 1 6.698 0.003 . 3 . . . . . 503 TYR QE . 27271 1 36 . 1 1 5 5 TYR C C 13 174.551 0.000 . 1 . . . . . 503 TYR C . 27271 1 37 . 1 1 5 5 TYR CA C 13 57.556 0.050 . 1 . . . . . 503 TYR CA . 27271 1 38 . 1 1 5 5 TYR CB C 13 36.036 0.082 . 1 . . . . . 503 TYR CB . 27271 1 39 . 1 1 5 5 TYR CD1 C 13 130.611 0.031 . 3 . . . . . 503 TYR CD* . 27271 1 40 . 1 1 5 5 TYR CD2 C 13 130.611 0.031 . 3 . . . . . 503 TYR CD* . 27271 1 41 . 1 1 5 5 TYR CE1 C 13 115.674 0.019 . 3 . . . . . 503 TYR CE* . 27271 1 42 . 1 1 5 5 TYR CE2 C 13 115.674 0.019 . 3 . . . . . 503 TYR CE* . 27271 1 43 . 1 1 5 5 TYR N N 15 119.962 0.108 . 1 . . . . . 503 TYR N . 27271 1 44 . 1 1 6 6 LEU H H 1 8.068 0.016 . 1 . . . . . 504 LEU HN . 27271 1 45 . 1 1 6 6 LEU HA H 1 3.793 0.019 . 1 . . . . . 504 LEU HA . 27271 1 46 . 1 1 6 6 LEU HB2 H 1 1.764 0.013 . 2 . . . . . 504 LEU HB2 . 27271 1 47 . 1 1 6 6 LEU HB3 H 1 1.508 0.023 . 2 . . . . . 504 LEU HB3 . 27271 1 48 . 1 1 6 6 LEU HG H 1 1.558 0.016 . 1 . . . . . 504 LEU HG . 27271 1 49 . 1 1 6 6 LEU HD11 H 1 0.807 0.016 . 2 . . . . . 504 LEU QD1 . 27271 1 50 . 1 1 6 6 LEU HD12 H 1 0.807 0.016 . 2 . . . . . 504 LEU QD1 . 27271 1 51 . 1 1 6 6 LEU HD13 H 1 0.807 0.016 . 2 . . . . . 504 LEU QD1 . 27271 1 52 . 1 1 6 6 LEU HD21 H 1 0.808 0.016 . 2 . . . . . 504 LEU QD2 . 27271 1 53 . 1 1 6 6 LEU HD22 H 1 0.808 0.016 . 2 . . . . . 504 LEU QD2 . 27271 1 54 . 1 1 6 6 LEU HD23 H 1 0.808 0.016 . 2 . . . . . 504 LEU QD2 . 27271 1 55 . 1 1 6 6 LEU C C 13 175.961 0.000 . 1 . . . . . 504 LEU C . 27271 1 56 . 1 1 6 6 LEU CA C 13 55.864 0.065 . 1 . . . . . 504 LEU CA . 27271 1 57 . 1 1 6 6 LEU CB C 13 38.436 0.130 . 1 . . . . . 504 LEU CB . 27271 1 58 . 1 1 6 6 LEU CG C 13 24.367 0.262 . 1 . . . . . 504 LEU CG . 27271 1 59 . 1 1 6 6 LEU CD1 C 13 22.49 0.046 . 2 . . . . . 504 LEU CD1 . 27271 1 60 . 1 1 6 6 LEU CD2 C 13 21.268 0.055 . 2 . . . . . 504 LEU CD2 . 27271 1 61 . 1 1 6 6 LEU N N 15 120.215 0.067 . 1 . . . . . 504 LEU N . 27271 1 62 . 1 1 7 7 ASP H H 1 8.311 0.014 . 1 . . . . . 505 ASP HN . 27271 1 63 . 1 1 7 7 ASP HA H 1 4.241 0.016 . 1 . . . . . 505 ASP HA . 27271 1 64 . 1 1 7 7 ASP HB2 H 1 2.766 0.008 . 2 . . . . . 505 ASP HB2 . 27271 1 65 . 1 1 7 7 ASP HB3 H 1 2.531 0.013 . 2 . . . . . 505 ASP HB3 . 27271 1 66 . 1 1 7 7 ASP C C 13 177.179 0.000 . 1 . . . . . 505 ASP C . 27271 1 67 . 1 1 7 7 ASP CA C 13 54.94 0.096 . 1 . . . . . 505 ASP CA . 27271 1 68 . 1 1 7 7 ASP CB C 13 37.096 0.048 . 1 . . . . . 505 ASP CB . 27271 1 69 . 1 1 7 7 ASP N N 15 117.572 0.196 . 1 . . . . . 505 ASP N . 27271 1 70 . 1 1 8 8 GLU H H 1 7.567 0.014 . 1 . . . . . 506 GLU HN . 27271 1 71 . 1 1 8 8 GLU HA H 1 3.975 0.013 . 1 . . . . . 506 GLU HA . 27271 1 72 . 1 1 8 8 GLU HB2 H 1 2.208 0.020 . 2 . . . . . 506 GLU HB2 . 27271 1 73 . 1 1 8 8 GLU HB3 H 1 1.959 0.020 . 2 . . . . . 506 GLU HB3 . 27271 1 74 . 1 1 8 8 GLU HG2 H 1 2.46 0.014 . 2 . . . . . 506 GLU HG2 . 27271 1 75 . 1 1 8 8 GLU HG3 H 1 1.988 0.011 . 2 . . . . . 506 GLU HG3 . 27271 1 76 . 1 1 8 8 GLU C C 13 177.242 0.000 . 1 . . . . . 506 GLU C . 27271 1 77 . 1 1 8 8 GLU CA C 13 57.27 0.100 . 1 . . . . . 506 GLU CA . 27271 1 78 . 1 1 8 8 GLU CB C 13 26.901 0.107 . 1 . . . . . 506 GLU CB . 27271 1 79 . 1 1 8 8 GLU CG C 13 34.004 0.087 . 1 . . . . . 506 GLU CG . 27271 1 80 . 1 1 8 8 GLU N N 15 121.056 0.099 . 1 . . . . . 506 GLU N . 27271 1 81 . 1 1 9 9 LEU H H 1 8.19 0.013 . 1 . . . . . 507 LEU HN . 27271 1 82 . 1 1 9 9 LEU HA H 1 3.826 0.010 . 1 . . . . . 507 LEU HA . 27271 1 83 . 1 1 9 9 LEU HB2 H 1 1.091 0.039 . 2 . . . . . 507 LEU HB2 . 27271 1 84 . 1 1 9 9 LEU HB3 H 1 1.894 0.021 . 2 . . . . . 507 LEU HB3 . 27271 1 85 . 1 1 9 9 LEU HG H 1 1.186 0.019 . 1 . . . . . 507 LEU HG . 27271 1 86 . 1 1 9 9 LEU HD11 H 1 0.538 0.016 . 1 . . . . . 507 LEU QD1 . 27271 1 87 . 1 1 9 9 LEU HD12 H 1 0.538 0.016 . 1 . . . . . 507 LEU QD1 . 27271 1 88 . 1 1 9 9 LEU HD13 H 1 0.538 0.016 . 1 . . . . . 507 LEU QD1 . 27271 1 89 . 1 1 9 9 LEU HD21 H 1 0.549 0.011 . 1 . . . . . 507 LEU QD2 . 27271 1 90 . 1 1 9 9 LEU HD22 H 1 0.549 0.011 . 1 . . . . . 507 LEU QD2 . 27271 1 91 . 1 1 9 9 LEU HD23 H 1 0.549 0.011 . 1 . . . . . 507 LEU QD2 . 27271 1 92 . 1 1 9 9 LEU C C 13 176.194 0.000 . 1 . . . . . 507 LEU C . 27271 1 93 . 1 1 9 9 LEU CA C 13 55.245 0.065 . 1 . . . . . 507 LEU CA . 27271 1 94 . 1 1 9 9 LEU CB C 13 39.188 0.077 . 1 . . . . . 507 LEU CB . 27271 1 95 . 1 1 9 9 LEU CG C 13 23.066 0.048 . 1 . . . . . 507 LEU CG . 27271 1 96 . 1 1 9 9 LEU CD1 C 13 23.717 0.093 . 1 . . . . . 507 LEU CD1 . 27271 1 97 . 1 1 9 9 LEU CD2 C 13 20.336 0.068 . 1 . . . . . 507 LEU CD2 . 27271 1 98 . 1 1 9 9 LEU N N 15 121.349 0.101 . 1 . . . . . 507 LEU N . 27271 1 99 . 1 1 10 10 VAL H H 1 8.62 0.013 . 1 . . . . . 508 VAL HN . 27271 1 100 . 1 1 10 10 VAL HA H 1 3.427 0.007 . 1 . . . . . 508 VAL HA . 27271 1 101 . 1 1 10 10 VAL HB H 1 2.09 0.015 . 1 . . . . . 508 VAL HB . 27271 1 102 . 1 1 10 10 VAL HG11 H 1 0.874 0.040 . 1 . . . . . 508 VAL QG1 . 27271 1 103 . 1 1 10 10 VAL HG12 H 1 0.874 0.040 . 1 . . . . . 508 VAL QG1 . 27271 1 104 . 1 1 10 10 VAL HG13 H 1 0.874 0.040 . 1 . . . . . 508 VAL QG1 . 27271 1 105 . 1 1 10 10 VAL HG21 H 1 0.948 0.027 . 1 . . . . . 508 VAL QG2 . 27271 1 106 . 1 1 10 10 VAL HG22 H 1 0.948 0.027 . 1 . . . . . 508 VAL QG2 . 27271 1 107 . 1 1 10 10 VAL HG23 H 1 0.948 0.027 . 1 . . . . . 508 VAL QG2 . 27271 1 108 . 1 1 10 10 VAL C C 13 176.262 0.000 . 1 . . . . . 508 VAL C . 27271 1 109 . 1 1 10 10 VAL CA C 13 64.424 0.062 . 1 . . . . . 508 VAL CA . 27271 1 110 . 1 1 10 10 VAL CB C 13 29.316 0.072 . 1 . . . . . 508 VAL CB . 27271 1 111 . 1 1 10 10 VAL CG1 C 13 18.351 0.078 . 1 . . . . . 508 VAL CG1 . 27271 1 112 . 1 1 10 10 VAL CG2 C 13 20.798 0.080 . 1 . . . . . 508 VAL CG2 . 27271 1 113 . 1 1 10 10 VAL N N 15 121.153 0.058 . 1 . . . . . 508 VAL N . 27271 1 114 . 1 1 11 11 GLU H H 1 7.482 0.017 . 1 . . . . . 509 GLU HN . 27271 1 115 . 1 1 11 11 GLU HA H 1 4.226 0.017 . 1 . . . . . 509 GLU HA . 27271 1 116 . 1 1 11 11 GLU HB2 H 1 2.02 0.028 . 2 . . . . . 509 GLU HB2 . 27271 1 117 . 1 1 11 11 GLU HB3 H 1 1.965 0.030 . 2 . . . . . 509 GLU HB3 . 27271 1 118 . 1 1 11 11 GLU HG2 H 1 2.223 0.037 . 2 . . . . . 509 GLU HG2 . 27271 1 119 . 1 1 11 11 GLU HG3 H 1 2.329 0.034 . 2 . . . . . 509 GLU HG3 . 27271 1 120 . 1 1 11 11 GLU C C 13 175.527 0.000 . 1 . . . . . 509 GLU C . 27271 1 121 . 1 1 11 11 GLU CA C 13 56.032 0.064 . 1 . . . . . 509 GLU CA . 27271 1 122 . 1 1 11 11 GLU CB C 13 26.294 0.062 . 1 . . . . . 509 GLU CB . 27271 1 123 . 1 1 11 11 GLU CG C 13 32.75 0.115 . 1 . . . . . 509 GLU CG . 27271 1 124 . 1 1 11 11 GLU N N 15 120.339 0.050 . 1 . . . . . 509 GLU N . 27271 1 125 . 1 1 12 12 LEU H H 1 8.03 0.017 . 1 . . . . . 510 LEU HN . 27271 1 126 . 1 1 12 12 LEU HA H 1 4.055 0.031 . 1 . . . . . 510 LEU HA . 27271 1 127 . 1 1 12 12 LEU HB2 H 1 1.616 0.014 . 2 . . . . . 510 LEU HB2 . 27271 1 128 . 1 1 12 12 LEU HB3 H 1 1.941 0.021 . 2 . . . . . 510 LEU HB3 . 27271 1 129 . 1 1 12 12 LEU HD11 H 1 0.92 0.026 . 2 . . . . . 510 LEU QD1 . 27271 1 130 . 1 1 12 12 LEU HD12 H 1 0.92 0.026 . 2 . . . . . 510 LEU QD1 . 27271 1 131 . 1 1 12 12 LEU HD13 H 1 0.92 0.026 . 2 . . . . . 510 LEU QD1 . 27271 1 132 . 1 1 12 12 LEU HD21 H 1 0.892 0.024 . 2 . . . . . 510 LEU QD2 . 27271 1 133 . 1 1 12 12 LEU HD22 H 1 0.892 0.024 . 2 . . . . . 510 LEU QD2 . 27271 1 134 . 1 1 12 12 LEU HD23 H 1 0.892 0.024 . 2 . . . . . 510 LEU QD2 . 27271 1 135 . 1 1 12 12 LEU C C 13 175.3 0.000 . 1 . . . . . 510 LEU C . 27271 1 136 . 1 1 12 12 LEU CA C 13 55.142 0.077 . 1 . . . . . 510 LEU CA . 27271 1 137 . 1 1 12 12 LEU CB C 13 39.263 0.062 . 1 . . . . . 510 LEU CB . 27271 1 138 . 1 1 12 12 LEU CD1 C 13 24.921 0.135 . 2 . . . . . 510 LEU CD1 . 27271 1 139 . 1 1 12 12 LEU CD2 C 13 21.137 0.119 . 2 . . . . . 510 LEU CD2 . 27271 1 140 . 1 1 12 12 LEU N N 15 121.283 0.078 . 1 . . . . . 510 LEU N . 27271 1 141 . 1 1 13 13 HIS H H 1 8.917 0.010 . 1 . . . . . 511 HIS HN . 27271 1 142 . 1 1 13 13 HIS HA H 1 3.619 0.023 . 1 . . . . . 511 HIS HA . 27271 1 143 . 1 1 13 13 HIS HB2 H 1 3.293 0.016 . 2 . . . . . 511 HIS HB2 . 27271 1 144 . 1 1 13 13 HIS HB3 H 1 3.032 0.013 . 2 . . . . . 511 HIS HB3 . 27271 1 145 . 1 1 13 13 HIS HD2 H 1 6.388 0.014 . 1 . . . . . 511 HIS HD2 . 27271 1 146 . 1 1 13 13 HIS HE1 H 1 7.89 0.019 . 1 . . . . . 511 HIS HE1 . 27271 1 147 . 1 1 13 13 HIS C C 13 173.408 0.000 . 1 . . . . . 511 HIS C . 27271 1 148 . 1 1 13 13 HIS CA C 13 59.539 0.060 . 1 . . . . . 511 HIS CA . 27271 1 149 . 1 1 13 13 HIS CB C 13 28.632 0.129 . 1 . . . . . 511 HIS CB . 27271 1 150 . 1 1 13 13 HIS CD2 C 13 114.235 0.064 . 1 . . . . . 511 HIS CD2 . 27271 1 151 . 1 1 13 13 HIS CE1 C 13 135.163 0.008 . 1 . . . . . 511 HIS CE1 . 27271 1 152 . 1 1 13 13 HIS N N 15 119.468 0.133 . 1 . . . . . 511 HIS N . 27271 1 153 . 1 1 14 14 ARG H H 1 7.845 0.016 . 1 . . . . . 512 ARG HN . 27271 1 154 . 1 1 14 14 ARG HA H 1 3.817 0.019 . 1 . . . . . 512 ARG HA . 27271 1 155 . 1 1 14 14 ARG HB2 H 1 1.984 0.003 . 2 . . . . . 512 ARG HB2 . 27271 1 156 . 1 1 14 14 ARG HB3 H 1 1.976 0.005 . 2 . . . . . 512 ARG HB3 . 27271 1 157 . 1 1 14 14 ARG HG2 H 1 1.535 0.021 . 2 . . . . . 512 ARG HG2 . 27271 1 158 . 1 1 14 14 ARG HG3 H 1 1.729 0.005 . 2 . . . . . 512 ARG HG3 . 27271 1 159 . 1 1 14 14 ARG HD2 H 1 3.105 0.011 . 2 . . . . . 512 ARG HD2 . 27271 1 160 . 1 1 14 14 ARG HD3 H 1 3.193 0.041 . 2 . . . . . 512 ARG HD3 . 27271 1 161 . 1 1 14 14 ARG C C 13 177.069 0.000 . 1 . . . . . 512 ARG C . 27271 1 162 . 1 1 14 14 ARG CA C 13 56.883 0.071 . 1 . . . . . 512 ARG CA . 27271 1 163 . 1 1 14 14 ARG CB C 13 27.446 0.061 . 1 . . . . . 512 ARG CB . 27271 1 164 . 1 1 14 14 ARG CG C 13 24.587 0.146 . 1 . . . . . 512 ARG CG . 27271 1 165 . 1 1 14 14 ARG CD C 13 40.537 0.141 . 1 . . . . . 512 ARG CD . 27271 1 166 . 1 1 14 14 ARG N N 15 117.731 0.111 . 1 . . . . . 512 ARG N . 27271 1 167 . 1 1 15 15 ARG H H 1 7.905 0.017 . 1 . . . . . 513 ARG HN . 27271 1 168 . 1 1 15 15 ARG HA H 1 3.942 0.013 . 1 . . . . . 513 ARG HA . 27271 1 169 . 1 1 15 15 ARG HB2 H 1 1.872 0.023 . 2 . . . . . 513 ARG HB2 . 27271 1 170 . 1 1 15 15 ARG HB3 H 1 1.89 0.021 . 2 . . . . . 513 ARG HB3 . 27271 1 171 . 1 1 15 15 ARG HG2 H 1 1.605 0.020 . 2 . . . . . 513 ARG HG2 . 27271 1 172 . 1 1 15 15 ARG HG3 H 1 1.895 0.015 . 2 . . . . . 513 ARG HG3 . 27271 1 173 . 1 1 15 15 ARG HD2 H 1 3.131 0.024 . 2 . . . . . 513 ARG HD2 . 27271 1 174 . 1 1 15 15 ARG HD3 H 1 3.149 0.026 . 2 . . . . . 513 ARG HD3 . 27271 1 175 . 1 1 15 15 ARG C C 13 177.211 0.000 . 1 . . . . . 513 ARG C . 27271 1 176 . 1 1 15 15 ARG CA C 13 56.227 0.071 . 1 . . . . . 513 ARG CA . 27271 1 177 . 1 1 15 15 ARG CB C 13 28.045 0.062 . 1 . . . . . 513 ARG CB . 27271 1 178 . 1 1 15 15 ARG CG C 13 24.831 0.136 . 1 . . . . . 513 ARG CG . 27271 1 179 . 1 1 15 15 ARG CD C 13 40.775 0.034 . 1 . . . . . 513 ARG CD . 27271 1 180 . 1 1 15 15 ARG N N 15 117.944 0.181 . 1 . . . . . 513 ARG N . 27271 1 181 . 1 1 16 16 LEU H H 1 8.752 0.015 . 1 . . . . . 514 LEU HN . 27271 1 182 . 1 1 16 16 LEU HA H 1 3.96 0.011 . 1 . . . . . 514 LEU HA . 27271 1 183 . 1 1 16 16 LEU HB2 H 1 1.909 0.017 . 2 . . . . . 514 LEU HB2 . 27271 1 184 . 1 1 16 16 LEU HB3 H 1 1.221 0.027 . 2 . . . . . 514 LEU HB3 . 27271 1 185 . 1 1 16 16 LEU HG H 1 1.933 0.027 . 1 . . . . . 514 LEU HG . 27271 1 186 . 1 1 16 16 LEU HD11 H 1 0.985 0.016 . 1 . . . . . 514 LEU QD1 . 27271 1 187 . 1 1 16 16 LEU HD12 H 1 0.985 0.016 . 1 . . . . . 514 LEU QD1 . 27271 1 188 . 1 1 16 16 LEU HD13 H 1 0.985 0.016 . 1 . . . . . 514 LEU QD1 . 27271 1 189 . 1 1 16 16 LEU HD21 H 1 0.932 0.023 . 1 . . . . . 514 LEU QD2 . 27271 1 190 . 1 1 16 16 LEU HD22 H 1 0.932 0.023 . 1 . . . . . 514 LEU QD2 . 27271 1 191 . 1 1 16 16 LEU HD23 H 1 0.932 0.023 . 1 . . . . . 514 LEU QD2 . 27271 1 192 . 1 1 16 16 LEU C C 13 176.139 0.000 . 1 . . . . . 514 LEU C . 27271 1 193 . 1 1 16 16 LEU CA C 13 55.135 0.067 . 1 . . . . . 514 LEU CA . 27271 1 194 . 1 1 16 16 LEU CB C 13 39.483 0.080 . 1 . . . . . 514 LEU CB . 27271 1 195 . 1 1 16 16 LEU CG C 13 24.504 0.070 . 1 . . . . . 514 LEU CG . 27271 1 196 . 1 1 16 16 LEU CD1 C 13 25.47 0.089 . 1 . . . . . 514 LEU CD1 . 27271 1 197 . 1 1 16 16 LEU CD2 C 13 21.819 0.046 . 1 . . . . . 514 LEU CD2 . 27271 1 198 . 1 1 16 16 LEU N N 15 119.357 0.087 . 1 . . . . . 514 LEU N . 27271 1 199 . 1 1 17 17 MET H H 1 7.774 0.024 . 1 . . . . . 515 MET HN . 27271 1 200 . 1 1 17 17 MET HA H 1 4.417 0.013 . 1 . . . . . 515 MET HA . 27271 1 201 . 1 1 17 17 MET HB2 H 1 2.322 0.023 . 2 . . . . . 515 MET HB2 . 27271 1 202 . 1 1 17 17 MET HB3 H 1 2.161 0.010 . 2 . . . . . 515 MET HB3 . 27271 1 203 . 1 1 17 17 MET HG2 H 1 2.008 0.005 . 2 . . . . . 515 MET HG2 . 27271 1 204 . 1 1 17 17 MET HG3 H 1 2.324 0.020 . 2 . . . . . 515 MET HG3 . 27271 1 205 . 1 1 17 17 MET C C 13 175.166 0.000 . 1 . . . . . 515 MET C . 27271 1 206 . 1 1 17 17 MET CA C 13 53.59 0.046 . 1 . . . . . 515 MET CA . 27271 1 207 . 1 1 17 17 MET CB C 13 28.943 0.093 . 1 . . . . . 515 MET CB . 27271 1 208 . 1 1 17 17 MET CG C 13 28.907 0.102 . 1 . . . . . 515 MET CG . 27271 1 209 . 1 1 17 17 MET N N 15 114.501 0.125 . 1 . . . . . 515 MET N . 27271 1 210 . 1 1 18 18 THR H H 1 7.25 0.014 . 1 . . . . . 516 THR HN . 27271 1 211 . 1 1 18 18 THR HA H 1 4.378 0.016 . 1 . . . . . 516 THR HA . 27271 1 212 . 1 1 18 18 THR HB H 1 4.382 0.018 . 1 . . . . . 516 THR HB . 27271 1 213 . 1 1 18 18 THR HG21 H 1 1.213 0.103 . 1 . . . . . 516 THR QG2 . 27271 1 214 . 1 1 18 18 THR HG22 H 1 1.213 0.103 . 1 . . . . . 516 THR QG2 . 27271 1 215 . 1 1 18 18 THR HG23 H 1 1.213 0.103 . 1 . . . . . 516 THR QG2 . 27271 1 216 . 1 1 18 18 THR C C 13 171.672 0.000 . 1 . . . . . 516 THR C . 27271 1 217 . 1 1 18 18 THR CA C 13 58.688 0.017 . 1 . . . . . 516 THR CA . 27271 1 218 . 1 1 18 18 THR CB C 13 67.287 0.086 . 1 . . . . . 516 THR CB . 27271 1 219 . 1 1 18 18 THR CG2 C 13 19.057 0.103 . 1 . . . . . 516 THR CG2 . 27271 1 220 . 1 1 18 18 THR N N 15 107.331 0.176 . 1 . . . . . 516 THR N . 27271 1 221 . 1 1 19 19 LEU H H 1 6.969 0.018 . 1 . . . . . 517 LEU HN . 27271 1 222 . 1 1 19 19 LEU HA H 1 4.204 0.008 . 1 . . . . . 517 LEU HA . 27271 1 223 . 1 1 19 19 LEU HB2 H 1 1.721 0.036 . 2 . . . . . 517 LEU HB2 . 27271 1 224 . 1 1 19 19 LEU HB3 H 1 1.656 0.019 . 2 . . . . . 517 LEU HB3 . 27271 1 225 . 1 1 19 19 LEU HD11 H 1 0.813 0.019 . 2 . . . . . 517 LEU QD1 . 27271 1 226 . 1 1 19 19 LEU HD12 H 1 0.813 0.019 . 2 . . . . . 517 LEU QD1 . 27271 1 227 . 1 1 19 19 LEU HD13 H 1 0.813 0.019 . 2 . . . . . 517 LEU QD1 . 27271 1 228 . 1 1 19 19 LEU HD21 H 1 0.976 0.009 . 2 . . . . . 517 LEU QD2 . 27271 1 229 . 1 1 19 19 LEU HD22 H 1 0.976 0.009 . 2 . . . . . 517 LEU QD2 . 27271 1 230 . 1 1 19 19 LEU HD23 H 1 0.976 0.009 . 2 . . . . . 517 LEU QD2 . 27271 1 231 . 1 1 19 19 LEU C C 13 174.522 0.000 . 1 . . . . . 517 LEU C . 27271 1 232 . 1 1 19 19 LEU CA C 13 53.504 0.041 . 1 . . . . . 517 LEU CA . 27271 1 233 . 1 1 19 19 LEU CB C 13 40.39 0.052 . 1 . . . . . 517 LEU CB . 27271 1 234 . 1 1 19 19 LEU CD1 C 13 23.221 0.047 . 2 . . . . . 517 LEU CD1 . 27271 1 235 . 1 1 19 19 LEU CD2 C 13 22.232 0.055 . 2 . . . . . 517 LEU CD2 . 27271 1 236 . 1 1 19 19 LEU N N 15 123.986 0.127 . 1 . . . . . 517 LEU N . 27271 1 237 . 1 1 20 20 ARG H H 1 8.946 0.010 . 1 . . . . . 518 ARG HN . 27271 1 238 . 1 1 20 20 ARG HA H 1 4.556 0.006 . 1 . . . . . 518 ARG HA . 27271 1 239 . 1 1 20 20 ARG HB2 H 1 1.953 0.009 . 2 . . . . . 518 ARG HB2 . 27271 1 240 . 1 1 20 20 ARG HB3 H 1 1.638 0.019 . 2 . . . . . 518 ARG HB3 . 27271 1 241 . 1 1 20 20 ARG HG2 H 1 1.636 0.014 . 2 . . . . . 518 ARG HG2 . 27271 1 242 . 1 1 20 20 ARG HG3 H 1 1.618 0.021 . 2 . . . . . 518 ARG HG3 . 27271 1 243 . 1 1 20 20 ARG HD2 H 1 3.169 0.029 . 2 . . . . . 518 ARG HD2 . 27271 1 244 . 1 1 20 20 ARG HD3 H 1 3.129 0.028 . 2 . . . . . 518 ARG HD3 . 27271 1 245 . 1 1 20 20 ARG C C 13 173.213 0.000 . 1 . . . . . 518 ARG C . 27271 1 246 . 1 1 20 20 ARG CA C 13 52.075 0.063 . 1 . . . . . 518 ARG CA . 27271 1 247 . 1 1 20 20 ARG CB C 13 29.527 0.091 . 1 . . . . . 518 ARG CB . 27271 1 248 . 1 1 20 20 ARG CG C 13 23.85 0.040 . 1 . . . . . 518 ARG CG . 27271 1 249 . 1 1 20 20 ARG CD C 13 40.447 0.064 . 1 . . . . . 518 ARG CD . 27271 1 250 . 1 1 20 20 ARG N N 15 122.383 0.113 . 1 . . . . . 518 ARG N . 27271 1 251 . 1 1 21 21 GLU H H 1 7.002 0.016 . 1 . . . . . 519 GLU HN . 27271 1 252 . 1 1 21 21 GLU HA H 1 4.243 0.016 . 1 . . . . . 519 GLU HA . 27271 1 253 . 1 1 21 21 GLU HB2 H 1 2.072 0.013 . 2 . . . . . 519 GLU HB2 . 27271 1 254 . 1 1 21 21 GLU HB3 H 1 1.861 0.011 . 2 . . . . . 519 GLU HB3 . 27271 1 255 . 1 1 21 21 GLU HG2 H 1 2.365 0.006 . 2 . . . . . 519 GLU HG2 . 27271 1 256 . 1 1 21 21 GLU HG3 H 1 2.371 0.004 . 2 . . . . . 519 GLU HG3 . 27271 1 257 . 1 1 21 21 GLU C C 13 174.126 0.000 . 1 . . . . . 519 GLU C . 27271 1 258 . 1 1 21 21 GLU CA C 13 54.734 0.161 . 1 . . . . . 519 GLU CA . 27271 1 259 . 1 1 21 21 GLU CB C 13 27.344 0.045 . 1 . . . . . 519 GLU CB . 27271 1 260 . 1 1 21 21 GLU CG C 13 34.04 0.133 . 1 . . . . . 519 GLU CG . 27271 1 261 . 1 1 21 21 GLU N N 15 121.288 0.105 . 1 . . . . . 519 GLU N . 27271 1 262 . 1 1 22 22 ARG H H 1 8.789 0.014 . 1 . . . . . 520 ARG HN . 27271 1 263 . 1 1 22 22 ARG HA H 1 3.752 0.014 . 1 . . . . . 520 ARG HA . 27271 1 264 . 1 1 22 22 ARG HB2 H 1 1.783 0.033 . 2 . . . . . 520 ARG HB2 . 27271 1 265 . 1 1 22 22 ARG HB3 H 1 1.802 0.042 . 2 . . . . . 520 ARG HB3 . 27271 1 266 . 1 1 22 22 ARG HG2 H 1 1.562 0.000 . 2 . . . . . 520 ARG HG2 . 27271 1 267 . 1 1 22 22 ARG HG3 H 1 1.546 0.019 . 2 . . . . . 520 ARG HG3 . 27271 1 268 . 1 1 22 22 ARG HD2 H 1 3.1 0.000 . 2 . . . . . 520 ARG HD2 . 27271 1 269 . 1 1 22 22 ARG HD3 H 1 3.101 0.004 . 2 . . . . . 520 ARG HD3 . 27271 1 270 . 1 1 22 22 ARG C C 13 175.103 0.000 . 1 . . . . . 520 ARG C . 27271 1 271 . 1 1 22 22 ARG CA C 13 57.663 0.068 . 1 . . . . . 520 ARG CA . 27271 1 272 . 1 1 22 22 ARG CB C 13 27.507 0.053 . 1 . . . . . 520 ARG CB . 27271 1 273 . 1 1 22 22 ARG CG C 13 24.579 0.178 . 1 . . . . . 520 ARG CG . 27271 1 274 . 1 1 22 22 ARG CD C 13 40.663 0.121 . 1 . . . . . 520 ARG CD . 27271 1 275 . 1 1 22 22 ARG N N 15 128.134 0.107 . 1 . . . . . 520 ARG N . 27271 1 276 . 1 1 23 23 HIS H H 1 8.901 0.126 . 1 . . . . . 521 HIS HN . 27271 1 277 . 1 1 23 23 HIS HA H 1 4.304 0.017 . 1 . . . . . 521 HIS HA . 27271 1 278 . 1 1 23 23 HIS HB2 H 1 3.231 0.024 . 2 . . . . . 521 HIS HB2 . 27271 1 279 . 1 1 23 23 HIS HB3 H 1 3.17 0.048 . 2 . . . . . 521 HIS HB3 . 27271 1 280 . 1 1 23 23 HIS HD2 H 1 7.131 0.000 . 1 . . . . . 521 HIS HD2 . 27271 1 281 . 1 1 23 23 HIS C C 13 174.942 0.000 . 1 . . . . . 521 HIS C . 27271 1 282 . 1 1 23 23 HIS CA C 13 56.766 0.057 . 1 . . . . . 521 HIS CA . 27271 1 283 . 1 1 23 23 HIS CB C 13 26.015 0.155 . 1 . . . . . 521 HIS CB . 27271 1 284 . 1 1 23 23 HIS CD2 C 13 117.749 0.000 . 1 . . . . . 521 HIS CD2 . 27271 1 285 . 1 1 23 23 HIS N N 15 116.403 0.709 . 1 . . . . . 521 HIS N . 27271 1 286 . 1 1 24 24 ILE H H 1 7.057 0.032 . 1 . . . . . 522 ILE HN . 27271 1 287 . 1 1 24 24 ILE HA H 1 3.784 0.013 . 1 . . . . . 522 ILE HA . 27271 1 288 . 1 1 24 24 ILE HB H 1 1.696 0.025 . 1 . . . . . 522 ILE HB . 27271 1 289 . 1 1 24 24 ILE HG12 H 1 1.158 0.035 . 2 . . . . . 522 ILE HG12 . 27271 1 290 . 1 1 24 24 ILE HG13 H 1 0.866 0.040 . 2 . . . . . 522 ILE HG13 . 27271 1 291 . 1 1 24 24 ILE HG21 H 1 0.827 0.019 . 1 . . . . . 522 ILE QG2 . 27271 1 292 . 1 1 24 24 ILE HG22 H 1 0.827 0.019 . 1 . . . . . 522 ILE QG2 . 27271 1 293 . 1 1 24 24 ILE HG23 H 1 0.827 0.019 . 1 . . . . . 522 ILE QG2 . 27271 1 294 . 1 1 24 24 ILE HD11 H 1 0.784 0.016 . 1 . . . . . 522 ILE QD1 . 27271 1 295 . 1 1 24 24 ILE HD12 H 1 0.784 0.016 . 1 . . . . . 522 ILE QD1 . 27271 1 296 . 1 1 24 24 ILE HD13 H 1 0.784 0.016 . 1 . . . . . 522 ILE QD1 . 27271 1 297 . 1 1 24 24 ILE C C 13 175.263 0.000 . 1 . . . . . 522 ILE C . 27271 1 298 . 1 1 24 24 ILE CA C 13 60.668 0.055 . 1 . . . . . 522 ILE CA . 27271 1 299 . 1 1 24 24 ILE CB C 13 34.925 0.097 . 1 . . . . . 522 ILE CB . 27271 1 300 . 1 1 24 24 ILE CG1 C 13 25.431 0.088 . 1 . . . . . 522 ILE CG1 . 27271 1 301 . 1 1 24 24 ILE CG2 C 13 15.555 0.105 . 1 . . . . . 522 ILE CG2 . 27271 1 302 . 1 1 24 24 ILE CD1 C 13 9.884 0.088 . 1 . . . . . 522 ILE CD1 . 27271 1 303 . 1 1 24 24 ILE N N 15 119.595 0.091 . 1 . . . . . 522 ILE N . 27271 1 304 . 1 1 25 25 LEU H H 1 7.855 0.020 . 1 . . . . . 523 LEU HN . 27271 1 305 . 1 1 25 25 LEU HA H 1 3.776 0.010 . 1 . . . . . 523 LEU HA . 27271 1 306 . 1 1 25 25 LEU HB2 H 1 1.107 0.012 . 2 . . . . . 523 LEU HB2 . 27271 1 307 . 1 1 25 25 LEU HB3 H 1 1.762 0.022 . 2 . . . . . 523 LEU HB3 . 27271 1 308 . 1 1 25 25 LEU HG H 1 1.445 0.011 . 1 . . . . . 523 LEU HG . 27271 1 309 . 1 1 25 25 LEU HD11 H 1 0.695 0.017 . 1 . . . . . 523 LEU QD1 . 27271 1 310 . 1 1 25 25 LEU HD12 H 1 0.695 0.017 . 1 . . . . . 523 LEU QD1 . 27271 1 311 . 1 1 25 25 LEU HD13 H 1 0.695 0.017 . 1 . . . . . 523 LEU QD1 . 27271 1 312 . 1 1 25 25 LEU HD21 H 1 0.773 0.034 . 1 . . . . . 523 LEU QD2 . 27271 1 313 . 1 1 25 25 LEU HD22 H 1 0.773 0.034 . 1 . . . . . 523 LEU QD2 . 27271 1 314 . 1 1 25 25 LEU HD23 H 1 0.773 0.034 . 1 . . . . . 523 LEU QD2 . 27271 1 315 . 1 1 25 25 LEU C C 13 175.678 0.000 . 1 . . . . . 523 LEU C . 27271 1 316 . 1 1 25 25 LEU CA C 13 55.882 0.064 . 1 . . . . . 523 LEU CA . 27271 1 317 . 1 1 25 25 LEU CB C 13 39.404 0.104 . 1 . . . . . 523 LEU CB . 27271 1 318 . 1 1 25 25 LEU CD1 C 13 22.43 0.070 . 1 . . . . . 523 LEU CD1 . 27271 1 319 . 1 1 25 25 LEU CD2 C 13 20.274 0.061 . 1 . . . . . 523 LEU CD2 . 27271 1 320 . 1 1 25 25 LEU N N 15 120.041 0.117 . 1 . . . . . 523 LEU N . 27271 1 321 . 1 1 26 26 GLN H H 1 8.159 0.020 . 1 . . . . . 524 GLN HN . 27271 1 322 . 1 1 26 26 GLN HA H 1 3.577 0.013 . 1 . . . . . 524 GLN HA . 27271 1 323 . 1 1 26 26 GLN HB2 H 1 2.075 0.023 . 2 . . . . . 524 GLN HB2 . 27271 1 324 . 1 1 26 26 GLN HB3 H 1 1.934 0.025 . 2 . . . . . 524 GLN HB3 . 27271 1 325 . 1 1 26 26 GLN HG2 H 1 2.138 0.034 . 2 . . . . . 524 GLN HG2 . 27271 1 326 . 1 1 26 26 GLN HG3 H 1 2.12 0.046 . 2 . . . . . 524 GLN HG3 . 27271 1 327 . 1 1 26 26 GLN HE21 H 1 7.119 0.035 . 2 . . . . . 524 GLN HE21 . 27271 1 328 . 1 1 26 26 GLN HE22 H 1 6.794 0.025 . 2 . . . . . 524 GLN HE22 . 27271 1 329 . 1 1 26 26 GLN C C 13 174.971 0.000 . 1 . . . . . 524 GLN C . 27271 1 330 . 1 1 26 26 GLN CA C 13 56.012 0.063 . 1 . . . . . 524 GLN CA . 27271 1 331 . 1 1 26 26 GLN CB C 13 25.975 0.094 . 1 . . . . . 524 GLN CB . 27271 1 332 . 1 1 26 26 GLN CG C 13 31.38 0.115 . 1 . . . . . 524 GLN CG . 27271 1 333 . 1 1 26 26 GLN N N 15 116.381 0.118 . 1 . . . . . 524 GLN N . 27271 1 334 . 1 1 26 26 GLN NE2 N 15 113.25 0.034 . 1 . . . . . 524 GLN NE2 . 27271 1 335 . 1 1 27 27 GLN H H 1 7.187 0.016 . 1 . . . . . 525 GLN HN . 27271 1 336 . 1 1 27 27 GLN HA H 1 3.793 0.011 . 1 . . . . . 525 GLN HA . 27271 1 337 . 1 1 27 27 GLN HB2 H 1 1.826 0.023 . 2 . . . . . 525 GLN HB2 . 27271 1 338 . 1 1 27 27 GLN HB3 H 1 1.408 0.011 . 2 . . . . . 525 GLN HB3 . 27271 1 339 . 1 1 27 27 GLN HG2 H 1 2.126 0.015 . 2 . . . . . 525 GLN HG2 . 27271 1 340 . 1 1 27 27 GLN HG3 H 1 1.925 0.019 . 2 . . . . . 525 GLN HG3 . 27271 1 341 . 1 1 27 27 GLN HE21 H 1 6.607 0.015 . 2 . . . . . 525 GLN HE21 . 27271 1 342 . 1 1 27 27 GLN HE22 H 1 6.595 0.030 . 2 . . . . . 525 GLN HE22 . 27271 1 343 . 1 1 27 27 GLN C C 13 176.429 0.000 . 1 . . . . . 525 GLN C . 27271 1 344 . 1 1 27 27 GLN CA C 13 56.094 0.116 . 1 . . . . . 525 GLN CA . 27271 1 345 . 1 1 27 27 GLN CB C 13 25.784 0.065 . 1 . . . . . 525 GLN CB . 27271 1 346 . 1 1 27 27 GLN CG C 13 31.35 0.099 . 1 . . . . . 525 GLN CG . 27271 1 347 . 1 1 27 27 GLN N N 15 117.897 0.143 . 1 . . . . . 525 GLN N . 27271 1 348 . 1 1 27 27 GLN NE2 N 15 109.9 0.031 . 1 . . . . . 525 GLN NE2 . 27271 1 349 . 1 1 28 28 ILE H H 1 7.982 0.016 . 1 . . . . . 526 ILE HN . 27271 1 350 . 1 1 28 28 ILE HA H 1 3.344 0.012 . 1 . . . . . 526 ILE HA . 27271 1 351 . 1 1 28 28 ILE HB H 1 1.926 0.020 . 1 . . . . . 526 ILE HB . 27271 1 352 . 1 1 28 28 ILE HG12 H 1 1.752 0.023 . 2 . . . . . 526 ILE HG12 . 27271 1 353 . 1 1 28 28 ILE HG13 H 1 0.947 0.019 . 2 . . . . . 526 ILE HG13 . 27271 1 354 . 1 1 28 28 ILE HG21 H 1 0.737 0.012 . 1 . . . . . 526 ILE QG2 . 27271 1 355 . 1 1 28 28 ILE HG22 H 1 0.737 0.012 . 1 . . . . . 526 ILE QG2 . 27271 1 356 . 1 1 28 28 ILE HG23 H 1 0.737 0.012 . 1 . . . . . 526 ILE QG2 . 27271 1 357 . 1 1 28 28 ILE HD11 H 1 0.742 0.012 . 1 . . . . . 526 ILE QD1 . 27271 1 358 . 1 1 28 28 ILE HD12 H 1 0.742 0.012 . 1 . . . . . 526 ILE QD1 . 27271 1 359 . 1 1 28 28 ILE HD13 H 1 0.742 0.012 . 1 . . . . . 526 ILE QD1 . 27271 1 360 . 1 1 28 28 ILE C C 13 173.765 0.000 . 1 . . . . . 526 ILE C . 27271 1 361 . 1 1 28 28 ILE CA C 13 63.299 0.064 . 1 . . . . . 526 ILE CA . 27271 1 362 . 1 1 28 28 ILE CB C 13 34.876 0.093 . 1 . . . . . 526 ILE CB . 27271 1 363 . 1 1 28 28 ILE CG1 C 13 26.806 0.064 . 1 . . . . . 526 ILE CG1 . 27271 1 364 . 1 1 28 28 ILE CG2 C 13 14.405 0.087 . 1 . . . . . 526 ILE CG2 . 27271 1 365 . 1 1 28 28 ILE CD1 C 13 12.08 0.065 . 1 . . . . . 526 ILE CD1 . 27271 1 366 . 1 1 28 28 ILE N N 15 120.747 0.052 . 1 . . . . . 526 ILE N . 27271 1 367 . 1 1 29 29 VAL H H 1 8.02 0.017 . 1 . . . . . 527 VAL HN . 27271 1 368 . 1 1 29 29 VAL HA H 1 2.661 0.006 . 1 . . . . . 527 VAL HA . 27271 1 369 . 1 1 29 29 VAL HB H 1 1.503 0.007 . 1 . . . . . 527 VAL HB . 27271 1 370 . 1 1 29 29 VAL HG11 H 1 -0.163 0.013 . 1 . . . . . 527 VAL QG1 . 27271 1 371 . 1 1 29 29 VAL HG12 H 1 -0.163 0.013 . 1 . . . . . 527 VAL QG1 . 27271 1 372 . 1 1 29 29 VAL HG13 H 1 -0.163 0.013 . 1 . . . . . 527 VAL QG1 . 27271 1 373 . 1 1 29 29 VAL HG21 H 1 0.218 0.007 . 1 . . . . . 527 VAL QG2 . 27271 1 374 . 1 1 29 29 VAL HG22 H 1 0.218 0.007 . 1 . . . . . 527 VAL QG2 . 27271 1 375 . 1 1 29 29 VAL HG23 H 1 0.218 0.007 . 1 . . . . . 527 VAL QG2 . 27271 1 376 . 1 1 29 29 VAL C C 13 174.459 0.000 . 1 . . . . . 527 VAL C . 27271 1 377 . 1 1 29 29 VAL CA C 13 63.799 0.077 . 1 . . . . . 527 VAL CA . 27271 1 378 . 1 1 29 29 VAL CB C 13 28.135 0.069 . 1 . . . . . 527 VAL CB . 27271 1 379 . 1 1 29 29 VAL CG1 C 13 17.082 0.068 . 1 . . . . . 527 VAL CG1 . 27271 1 380 . 1 1 29 29 VAL CG2 C 13 19.981 0.056 . 1 . . . . . 527 VAL CG2 . 27271 1 381 . 1 1 29 29 VAL N N 15 119.675 0.064 . 1 . . . . . 527 VAL N . 27271 1 382 . 1 1 30 30 ASN H H 1 7.747 0.014 . 1 . . . . . 528 ASN HN . 27271 1 383 . 1 1 30 30 ASN HA H 1 4.144 0.026 . 1 . . . . . 528 ASN HA . 27271 1 384 . 1 1 30 30 ASN HB2 H 1 2.673 0.012 . 2 . . . . . 528 ASN HB2 . 27271 1 385 . 1 1 30 30 ASN HB3 H 1 2.654 0.017 . 2 . . . . . 528 ASN HB3 . 27271 1 386 . 1 1 30 30 ASN HD21 H 1 6.733 0.016 . 2 . . . . . 528 ASN HD21 . 27271 1 387 . 1 1 30 30 ASN HD22 H 1 7.447 0.013 . 2 . . . . . 528 ASN HD22 . 27271 1 388 . 1 1 30 30 ASN C C 13 174.916 0.000 . 1 . . . . . 528 ASN C . 27271 1 389 . 1 1 30 30 ASN CA C 13 53.394 0.038 . 1 . . . . . 528 ASN CA . 27271 1 390 . 1 1 30 30 ASN CB C 13 35.29 0.082 . 1 . . . . . 528 ASN CB . 27271 1 391 . 1 1 30 30 ASN N N 15 116.292 0.116 . 1 . . . . . 528 ASN N . 27271 1 392 . 1 1 30 30 ASN ND2 N 15 109.961 0.049 . 1 . . . . . 528 ASN ND2 . 27271 1 393 . 1 1 31 31 LEU H H 1 7.688 0.019 . 1 . . . . . 529 LEU HN . 27271 1 394 . 1 1 31 31 LEU HA H 1 4.055 0.017 . 1 . . . . . 529 LEU HA . 27271 1 395 . 1 1 31 31 LEU HB2 H 1 1.829 0.016 . 2 . . . . . 529 LEU HB2 . 27271 1 396 . 1 1 31 31 LEU HB3 H 1 1.818 0.012 . 2 . . . . . 529 LEU HB3 . 27271 1 397 . 1 1 31 31 LEU HG H 1 1.358 0.016 . 1 . . . . . 529 LEU HG . 27271 1 398 . 1 1 31 31 LEU HD11 H 1 0.841 0.019 . 2 . . . . . 529 LEU QD1 . 27271 1 399 . 1 1 31 31 LEU HD12 H 1 0.841 0.019 . 2 . . . . . 529 LEU QD1 . 27271 1 400 . 1 1 31 31 LEU HD13 H 1 0.841 0.019 . 2 . . . . . 529 LEU QD1 . 27271 1 401 . 1 1 31 31 LEU HD21 H 1 0.838 0.016 . 2 . . . . . 529 LEU QD2 . 27271 1 402 . 1 1 31 31 LEU HD22 H 1 0.838 0.016 . 2 . . . . . 529 LEU QD2 . 27271 1 403 . 1 1 31 31 LEU HD23 H 1 0.838 0.016 . 2 . . . . . 529 LEU QD2 . 27271 1 404 . 1 1 31 31 LEU C C 13 176.409 0.000 . 1 . . . . . 529 LEU C . 27271 1 405 . 1 1 31 31 LEU CA C 13 55.28 0.148 . 1 . . . . . 529 LEU CA . 27271 1 406 . 1 1 31 31 LEU CB C 13 39.679 0.051 . 1 . . . . . 529 LEU CB . 27271 1 407 . 1 1 31 31 LEU CD1 C 13 23.887 0.103 . 2 . . . . . 529 LEU CD1 . 27271 1 408 . 1 1 31 31 LEU CD2 C 13 23.897 0.083 . 2 . . . . . 529 LEU CD2 . 27271 1 409 . 1 1 31 31 LEU N N 15 120.434 0.136 . 1 . . . . . 529 LEU N . 27271 1 410 . 1 1 32 32 ILE H H 1 8.317 0.017 . 1 . . . . . 530 ILE HN . 27271 1 411 . 1 1 32 32 ILE HA H 1 3.632 0.014 . 1 . . . . . 530 ILE HA . 27271 1 412 . 1 1 32 32 ILE HB H 1 1.796 0.013 . 1 . . . . . 530 ILE HB . 27271 1 413 . 1 1 32 32 ILE HG12 H 1 1.441 0.015 . 2 . . . . . 530 ILE HG12 . 27271 1 414 . 1 1 32 32 ILE HG13 H 1 -0.267 0.017 . 2 . . . . . 530 ILE HG13 . 27271 1 415 . 1 1 32 32 ILE HG21 H 1 0.598 0.016 . 1 . . . . . 530 ILE QG2 . 27271 1 416 . 1 1 32 32 ILE HG22 H 1 0.598 0.016 . 1 . . . . . 530 ILE QG2 . 27271 1 417 . 1 1 32 32 ILE HG23 H 1 0.598 0.016 . 1 . . . . . 530 ILE QG2 . 27271 1 418 . 1 1 32 32 ILE HD11 H 1 0.162 0.011 . 1 . . . . . 530 ILE QD1 . 27271 1 419 . 1 1 32 32 ILE HD12 H 1 0.162 0.011 . 1 . . . . . 530 ILE QD1 . 27271 1 420 . 1 1 32 32 ILE HD13 H 1 0.162 0.011 . 1 . . . . . 530 ILE QD1 . 27271 1 421 . 1 1 32 32 ILE C C 13 178.282 0.000 . 1 . . . . . 530 ILE C . 27271 1 422 . 1 1 32 32 ILE CA C 13 58.676 0.079 . 1 . . . . . 530 ILE CA . 27271 1 423 . 1 1 32 32 ILE CB C 13 31.662 0.053 . 1 . . . . . 530 ILE CB . 27271 1 424 . 1 1 32 32 ILE CG1 C 13 22.863 0.054 . 1 . . . . . 530 ILE CG1 . 27271 1 425 . 1 1 32 32 ILE CG2 C 13 15.823 0.049 . 1 . . . . . 530 ILE CG2 . 27271 1 426 . 1 1 32 32 ILE CD1 C 13 7.05 0.061 . 1 . . . . . 530 ILE CD1 . 27271 1 427 . 1 1 32 32 ILE N N 15 117.327 0.141 . 1 . . . . . 530 ILE N . 27271 1 428 . 1 1 33 33 GLU H H 1 9.115 0.018 . 1 . . . . . 531 GLU HN . 27271 1 429 . 1 1 33 33 GLU HA H 1 3.857 0.014 . 1 . . . . . 531 GLU HA . 27271 1 430 . 1 1 33 33 GLU HB2 H 1 1.919 0.008 . 2 . . . . . 531 GLU HB2 . 27271 1 431 . 1 1 33 33 GLU HB3 H 1 1.809 0.021 . 2 . . . . . 531 GLU HB3 . 27271 1 432 . 1 1 33 33 GLU HG2 H 1 2.056 0.016 . 2 . . . . . 531 GLU HG2 . 27271 1 433 . 1 1 33 33 GLU HG3 H 1 1.562 0.019 . 2 . . . . . 531 GLU HG3 . 27271 1 434 . 1 1 33 33 GLU C C 13 176.641 0.000 . 1 . . . . . 531 GLU C . 27271 1 435 . 1 1 33 33 GLU CA C 13 56.785 0.062 . 1 . . . . . 531 GLU CA . 27271 1 436 . 1 1 33 33 GLU CB C 13 26.103 0.111 . 1 . . . . . 531 GLU CB . 27271 1 437 . 1 1 33 33 GLU CG C 13 33.528 0.121 . 1 . . . . . 531 GLU CG . 27271 1 438 . 1 1 33 33 GLU N N 15 123.638 0.219 . 1 . . . . . 531 GLU N . 27271 1 439 . 1 1 34 34 GLU H H 1 7.221 0.014 . 1 . . . . . 532 GLU HN . 27271 1 440 . 1 1 34 34 GLU HA H 1 4.029 0.018 . 1 . . . . . 532 GLU HA . 27271 1 441 . 1 1 34 34 GLU HB2 H 1 2.135 0.026 . 2 . . . . . 532 GLU HB2 . 27271 1 442 . 1 1 34 34 GLU HB3 H 1 1.956 0.009 . 2 . . . . . 532 GLU HB3 . 27271 1 443 . 1 1 34 34 GLU HG2 H 1 2.448 0.004 . 2 . . . . . 532 GLU HG2 . 27271 1 444 . 1 1 34 34 GLU HG3 H 1 2.229 0.040 . 2 . . . . . 532 GLU HG3 . 27271 1 445 . 1 1 34 34 GLU C C 13 175.335 0.000 . 1 . . . . . 532 GLU C . 27271 1 446 . 1 1 34 34 GLU CA C 13 56.322 0.104 . 1 . . . . . 532 GLU CA . 27271 1 447 . 1 1 34 34 GLU CB C 13 26.979 0.094 . 1 . . . . . 532 GLU CB . 27271 1 448 . 1 1 34 34 GLU CG C 13 33.607 0.104 . 1 . . . . . 532 GLU CG . 27271 1 449 . 1 1 34 34 GLU N N 15 117.335 0.105 . 1 . . . . . 532 GLU N . 27271 1 450 . 1 1 35 35 THR H H 1 7.576 0.015 . 1 . . . . . 533 THR HN . 27271 1 451 . 1 1 35 35 THR HA H 1 4.285 0.021 . 1 . . . . . 533 THR HA . 27271 1 452 . 1 1 35 35 THR HB H 1 4.297 0.043 . 1 . . . . . 533 THR HB . 27271 1 453 . 1 1 35 35 THR HG21 H 1 1.48 0.024 . 1 . . . . . 533 THR QG2 . 27271 1 454 . 1 1 35 35 THR HG22 H 1 1.48 0.024 . 1 . . . . . 533 THR QG2 . 27271 1 455 . 1 1 35 35 THR HG23 H 1 1.48 0.024 . 1 . . . . . 533 THR QG2 . 27271 1 456 . 1 1 35 35 THR C C 13 173.777 0.000 . 1 . . . . . 533 THR C . 27271 1 457 . 1 1 35 35 THR CA C 13 60.514 0.083 . 1 . . . . . 533 THR CA . 27271 1 458 . 1 1 35 35 THR CB C 13 68.872 0.079 . 1 . . . . . 533 THR CB . 27271 1 459 . 1 1 35 35 THR CG2 C 13 19.676 0.264 . 1 . . . . . 533 THR CG2 . 27271 1 460 . 1 1 35 35 THR N N 15 107.378 0.167 . 1 . . . . . 533 THR N . 27271 1 461 . 1 1 36 36 GLY H H 1 7.594 0.011 . 1 . . . . . 534 GLY HN . 27271 1 462 . 1 1 36 36 GLY HA2 H 1 4.191 0.012 . 2 . . . . . 534 GLY HA2 . 27271 1 463 . 1 1 36 36 GLY HA3 H 1 3.869 0.012 . 2 . . . . . 534 GLY HA3 . 27271 1 464 . 1 1 36 36 GLY C C 13 171.388 0.000 . 1 . . . . . 534 GLY C . 27271 1 465 . 1 1 36 36 GLY CA C 13 42.776 0.109 . 1 . . . . . 534 GLY CA . 27271 1 466 . 1 1 36 36 GLY N N 15 106.558 0.180 . 1 . . . . . 534 GLY N . 27271 1 467 . 1 1 37 37 HIS H H 1 8.325 0.023 . 1 . . . . . 535 HIS HN . 27271 1 468 . 1 1 37 37 HIS HA H 1 4.827 0.008 . 1 . . . . . 535 HIS HA . 27271 1 469 . 1 1 37 37 HIS HB2 H 1 3.136 0.023 . 2 . . . . . 535 HIS HB2 . 27271 1 470 . 1 1 37 37 HIS HB3 H 1 3.084 0.022 . 2 . . . . . 535 HIS HB3 . 27271 1 471 . 1 1 37 37 HIS C C 13 169.735 0.000 . 1 . . . . . 535 HIS C . 27271 1 472 . 1 1 37 37 HIS CA C 13 51.184 0.130 . 1 . . . . . 535 HIS CA . 27271 1 473 . 1 1 37 37 HIS CB C 13 24.433 0.131 . 1 . . . . . 535 HIS CB . 27271 1 474 . 1 1 37 37 HIS N N 15 120.781 0.152 . 1 . . . . . 535 HIS N . 27271 1 475 . 1 1 38 38 PHE H H 1 7.029 0.016 . 1 . . . . . 536 PHE HN . 27271 1 476 . 1 1 38 38 PHE HA H 1 5.178 0.009 . 1 . . . . . 536 PHE HA . 27271 1 477 . 1 1 38 38 PHE HB2 H 1 2.525 0.012 . 2 . . . . . 536 PHE HB2 . 27271 1 478 . 1 1 38 38 PHE HB3 H 1 2.07 0.011 . 2 . . . . . 536 PHE HB3 . 27271 1 479 . 1 1 38 38 PHE HD1 H 1 6.508 0.018 . 3 . . . . . 536 PHE QD . 27271 1 480 . 1 1 38 38 PHE HD2 H 1 6.508 0.018 . 3 . . . . . 536 PHE QD . 27271 1 481 . 1 1 38 38 PHE HE1 H 1 7.4 0.012 . 3 . . . . . 536 PHE QE . 27271 1 482 . 1 1 38 38 PHE HE2 H 1 7.4 0.012 . 3 . . . . . 536 PHE QE . 27271 1 483 . 1 1 38 38 PHE C C 13 170.539 0.000 . 1 . . . . . 536 PHE C . 27271 1 484 . 1 1 38 38 PHE CA C 13 52.842 0.064 . 1 . . . . . 536 PHE CA . 27271 1 485 . 1 1 38 38 PHE CB C 13 39.548 0.072 . 1 . . . . . 536 PHE CB . 27271 1 486 . 1 1 38 38 PHE CD1 C 13 129.665 0.115 . 3 . . . . . 536 PHE CD* . 27271 1 487 . 1 1 38 38 PHE CD2 C 13 129.665 0.115 . 3 . . . . . 536 PHE CD* . 27271 1 488 . 1 1 38 38 PHE CE1 C 13 129.172 0.093 . 3 . . . . . 536 PHE CE* . 27271 1 489 . 1 1 38 38 PHE CE2 C 13 129.172 0.093 . 3 . . . . . 536 PHE CE* . 27271 1 490 . 1 1 38 38 PHE N N 15 115.762 0.099 . 1 . . . . . 536 PHE N . 27271 1 491 . 1 1 39 39 HIS H H 1 8.843 0.011 . 1 . . . . . 537 HIS HN . 27271 1 492 . 1 1 39 39 HIS HA H 1 4.579 0.031 . 1 . . . . . 537 HIS HA . 27271 1 493 . 1 1 39 39 HIS HB2 H 1 3.06 0.013 . 2 . . . . . 537 HIS HB2 . 27271 1 494 . 1 1 39 39 HIS HB3 H 1 3.065 0.012 . 2 . . . . . 537 HIS HB3 . 27271 1 495 . 1 1 39 39 HIS C C 13 169.753 0.000 . 1 . . . . . 537 HIS C . 27271 1 496 . 1 1 39 39 HIS CA C 13 52.393 0.202 . 1 . . . . . 537 HIS CA . 27271 1 497 . 1 1 39 39 HIS CB C 13 28.864 0.108 . 1 . . . . . 537 HIS CB . 27271 1 498 . 1 1 39 39 HIS N N 15 117.725 0.189 . 1 . . . . . 537 HIS N . 27271 1 499 . 1 1 40 40 ILE H H 1 8.505 0.017 . 1 . . . . . 538 ILE HN . 27271 1 500 . 1 1 40 40 ILE HA H 1 5.019 0.009 . 1 . . . . . 538 ILE HA . 27271 1 501 . 1 1 40 40 ILE HB H 1 1.759 0.017 . 1 . . . . . 538 ILE HB . 27271 1 502 . 1 1 40 40 ILE HG12 H 1 1.222 0.011 . 2 . . . . . 538 ILE HG12 . 27271 1 503 . 1 1 40 40 ILE HG13 H 1 1.791 0.010 . 2 . . . . . 538 ILE HG13 . 27271 1 504 . 1 1 40 40 ILE HG21 H 1 0.907 0.011 . 1 . . . . . 538 ILE QG2 . 27271 1 505 . 1 1 40 40 ILE HG22 H 1 0.907 0.011 . 1 . . . . . 538 ILE QG2 . 27271 1 506 . 1 1 40 40 ILE HG23 H 1 0.907 0.011 . 1 . . . . . 538 ILE QG2 . 27271 1 507 . 1 1 40 40 ILE HD11 H 1 1.056 0.010 . 1 . . . . . 538 ILE QD1 . 27271 1 508 . 1 1 40 40 ILE HD12 H 1 1.056 0.010 . 1 . . . . . 538 ILE QD1 . 27271 1 509 . 1 1 40 40 ILE HD13 H 1 1.056 0.010 . 1 . . . . . 538 ILE QD1 . 27271 1 510 . 1 1 40 40 ILE C C 13 172.953 0.000 . 1 . . . . . 538 ILE C . 27271 1 511 . 1 1 40 40 ILE CA C 13 57.909 0.069 . 1 . . . . . 538 ILE CA . 27271 1 512 . 1 1 40 40 ILE CB C 13 37.894 0.051 . 1 . . . . . 538 ILE CB . 27271 1 513 . 1 1 40 40 ILE CG1 C 13 26.486 0.101 . 1 . . . . . 538 ILE CG1 . 27271 1 514 . 1 1 40 40 ILE CG2 C 13 14.882 0.047 . 1 . . . . . 538 ILE CG2 . 27271 1 515 . 1 1 40 40 ILE CD1 C 13 11.188 0.059 . 1 . . . . . 538 ILE CD1 . 27271 1 516 . 1 1 40 40 ILE N N 15 123.642 0.069 . 1 . . . . . 538 ILE N . 27271 1 517 . 1 1 41 41 THR H H 1 8.76 0.013 . 1 . . . . . 539 THR HN . 27271 1 518 . 1 1 41 41 THR HA H 1 4.485 0.011 . 1 . . . . . 539 THR HA . 27271 1 519 . 1 1 41 41 THR HB H 1 4.297 0.007 . 1 . . . . . 539 THR HB . 27271 1 520 . 1 1 41 41 THR HG21 H 1 1.125 0.013 . 1 . . . . . 539 THR QG2 . 27271 1 521 . 1 1 41 41 THR HG22 H 1 1.125 0.013 . 1 . . . . . 539 THR QG2 . 27271 1 522 . 1 1 41 41 THR HG23 H 1 1.125 0.013 . 1 . . . . . 539 THR QG2 . 27271 1 523 . 1 1 41 41 THR C C 13 171.623 0.000 . 1 . . . . . 539 THR C . 27271 1 524 . 1 1 41 41 THR CA C 13 58.013 0.143 . 1 . . . . . 539 THR CA . 27271 1 525 . 1 1 41 41 THR CB C 13 67.482 0.210 . 1 . . . . . 539 THR CB . 27271 1 526 . 1 1 41 41 THR CG2 C 13 18.77 0.014 . 1 . . . . . 539 THR CG2 . 27271 1 527 . 1 1 41 41 THR N N 15 122.101 0.096 . 1 . . . . . 539 THR N . 27271 1 528 . 1 1 42 42 ASN H H 1 8.982 0.014 . 1 . . . . . 540 ASN HN . 27271 1 529 . 1 1 42 42 ASN HA H 1 4.328 0.007 . 1 . . . . . 540 ASN HA . 27271 1 530 . 1 1 42 42 ASN HB2 H 1 3.031 0.019 . 2 . . . . . 540 ASN HB2 . 27271 1 531 . 1 1 42 42 ASN HB3 H 1 3.007 0.025 . 2 . . . . . 540 ASN HB3 . 27271 1 532 . 1 1 42 42 ASN HD21 H 1 6.941 0.014 . 2 . . . . . 540 ASN HD21 . 27271 1 533 . 1 1 42 42 ASN HD22 H 1 7.644 0.011 . 2 . . . . . 540 ASN HD22 . 27271 1 534 . 1 1 42 42 ASN C C 13 172.591 0.000 . 1 . . . . . 540 ASN C . 27271 1 535 . 1 1 42 42 ASN CA C 13 53.623 0.083 . 1 . . . . . 540 ASN CA . 27271 1 536 . 1 1 42 42 ASN CB C 13 34.722 0.110 . 1 . . . . . 540 ASN CB . 27271 1 537 . 1 1 42 42 ASN N N 15 119.753 0.087 . 1 . . . . . 540 ASN N . 27271 1 538 . 1 1 42 42 ASN ND2 N 15 113.337 0.031 . 1 . . . . . 540 ASN ND2 . 27271 1 539 . 1 1 43 43 THR H H 1 8.081 0.013 . 1 . . . . . 541 THR HN . 27271 1 540 . 1 1 43 43 THR HA H 1 4.539 0.019 . 1 . . . . . 541 THR HA . 27271 1 541 . 1 1 43 43 THR HB H 1 4.543 0.007 . 1 . . . . . 541 THR HB . 27271 1 542 . 1 1 43 43 THR HG21 H 1 1.072 0.017 . 1 . . . . . 541 THR QG2 . 27271 1 543 . 1 1 43 43 THR HG22 H 1 1.072 0.017 . 1 . . . . . 541 THR QG2 . 27271 1 544 . 1 1 43 43 THR HG23 H 1 1.072 0.017 . 1 . . . . . 541 THR QG2 . 27271 1 545 . 1 1 43 43 THR C C 13 171.111 0.000 . 1 . . . . . 541 THR C . 27271 1 546 . 1 1 43 43 THR CA C 13 59.001 0.081 . 1 . . . . . 541 THR CA . 27271 1 547 . 1 1 43 43 THR CB C 13 67.015 0.231 . 1 . . . . . 541 THR CB . 27271 1 548 . 1 1 43 43 THR CG2 C 13 19.18 0.131 . 1 . . . . . 541 THR CG2 . 27271 1 549 . 1 1 43 43 THR N N 15 108.889 0.082 . 1 . . . . . 541 THR N . 27271 1 550 . 1 1 44 44 THR H H 1 8.293 0.015 . 1 . . . . . 542 THR HN . 27271 1 551 . 1 1 44 44 THR HA H 1 4.957 0.007 . 1 . . . . . 542 THR HA . 27271 1 552 . 1 1 44 44 THR HB H 1 4.056 0.006 . 1 . . . . . 542 THR HB . 27271 1 553 . 1 1 44 44 THR HG21 H 1 1.056 0.009 . 1 . . . . . 542 THR QG2 . 27271 1 554 . 1 1 44 44 THR HG22 H 1 1.056 0.009 . 1 . . . . . 542 THR QG2 . 27271 1 555 . 1 1 44 44 THR HG23 H 1 1.056 0.009 . 1 . . . . . 542 THR QG2 . 27271 1 556 . 1 1 44 44 THR C C 13 168.944 0.000 . 1 . . . . . 542 THR C . 27271 1 557 . 1 1 44 44 THR CA C 13 59.348 0.090 . 1 . . . . . 542 THR CA . 27271 1 558 . 1 1 44 44 THR CB C 13 68.662 0.102 . 1 . . . . . 542 THR CB . 27271 1 559 . 1 1 44 44 THR CG2 C 13 19.473 0.202 . 1 . . . . . 542 THR CG2 . 27271 1 560 . 1 1 44 44 THR N N 15 117.138 0.132 . 1 . . . . . 542 THR N . 27271 1 561 . 1 1 45 45 PHE H H 1 9.375 0.015 . 1 . . . . . 543 PHE HN . 27271 1 562 . 1 1 45 45 PHE HA H 1 4.976 0.013 . 1 . . . . . 543 PHE HA . 27271 1 563 . 1 1 45 45 PHE HB2 H 1 3.261 0.018 . 2 . . . . . 543 PHE HB2 . 27271 1 564 . 1 1 45 45 PHE HB3 H 1 2.684 0.017 . 2 . . . . . 543 PHE HB3 . 27271 1 565 . 1 1 45 45 PHE HD1 H 1 7.046 0.010 . 3 . . . . . 543 PHE QD . 27271 1 566 . 1 1 45 45 PHE HD2 H 1 7.046 0.010 . 3 . . . . . 543 PHE QD . 27271 1 567 . 1 1 45 45 PHE HE1 H 1 6.556 0.025 . 3 . . . . . 543 PHE QE . 27271 1 568 . 1 1 45 45 PHE HE2 H 1 6.556 0.025 . 3 . . . . . 543 PHE QE . 27271 1 569 . 1 1 45 45 PHE HZ H 1 6.356 0.011 . 1 . . . . . 543 PHE HZ . 27271 1 570 . 1 1 45 45 PHE C C 13 170.842 0.000 . 1 . . . . . 543 PHE C . 27271 1 571 . 1 1 45 45 PHE CA C 13 54.561 0.078 . 1 . . . . . 543 PHE CA . 27271 1 572 . 1 1 45 45 PHE CB C 13 39.483 0.048 . 1 . . . . . 543 PHE CB . 27271 1 573 . 1 1 45 45 PHE CD1 C 13 129.01 0.047 . 3 . . . . . 543 PHE CD* . 27271 1 574 . 1 1 45 45 PHE CD2 C 13 129.01 0.047 . 3 . . . . . 543 PHE CD* . 27271 1 575 . 1 1 45 45 PHE CE1 C 13 128.847 0.043 . 3 . . . . . 543 PHE CE* . 27271 1 576 . 1 1 45 45 PHE CE2 C 13 128.847 0.043 . 3 . . . . . 543 PHE CE* . 27271 1 577 . 1 1 45 45 PHE CZ C 13 127.127 0.088 . 1 . . . . . 543 PHE CZ . 27271 1 578 . 1 1 45 45 PHE N N 15 128.697 0.158 . 1 . . . . . 543 PHE N . 27271 1 579 . 1 1 46 46 ASP H H 1 9.054 0.010 . 1 . . . . . 544 ASP HN . 27271 1 580 . 1 1 46 46 ASP HA H 1 6.171 0.007 . 1 . . . . . 544 ASP HA . 27271 1 581 . 1 1 46 46 ASP HB2 H 1 2.355 0.014 . 2 . . . . . 544 ASP HB2 . 27271 1 582 . 1 1 46 46 ASP HB3 H 1 2.579 0.020 . 2 . . . . . 544 ASP HB3 . 27271 1 583 . 1 1 46 46 ASP C C 13 171.969 0.000 . 1 . . . . . 544 ASP C . 27271 1 584 . 1 1 46 46 ASP CA C 13 49.984 0.069 . 1 . . . . . 544 ASP CA . 27271 1 585 . 1 1 46 46 ASP CB C 13 42.526 0.082 . 1 . . . . . 544 ASP CB . 27271 1 586 . 1 1 46 46 ASP N N 15 127.275 0.089 . 1 . . . . . 544 ASP N . 27271 1 587 . 1 1 47 47 PHE H H 1 8.404 0.015 . 1 . . . . . 545 PHE HN . 27271 1 588 . 1 1 47 47 PHE HA H 1 4.852 0.018 . 1 . . . . . 545 PHE HA . 27271 1 589 . 1 1 47 47 PHE HB2 H 1 2.992 0.018 . 2 . . . . . 545 PHE HB2 . 27271 1 590 . 1 1 47 47 PHE HB3 H 1 3.309 0.017 . 2 . . . . . 545 PHE HB3 . 27271 1 591 . 1 1 47 47 PHE HD1 H 1 6.981 0.026 . 3 . . . . . 545 PHE QD . 27271 1 592 . 1 1 47 47 PHE HD2 H 1 6.981 0.026 . 3 . . . . . 545 PHE QD . 27271 1 593 . 1 1 47 47 PHE C C 13 169.11 0.000 . 1 . . . . . 545 PHE C . 27271 1 594 . 1 1 47 47 PHE CA C 13 53.566 0.112 . 1 . . . . . 545 PHE CA . 27271 1 595 . 1 1 47 47 PHE CB C 13 38.813 0.094 . 1 . . . . . 545 PHE CB . 27271 1 596 . 1 1 47 47 PHE CD1 C 13 130.883 0.044 . 3 . . . . . 545 PHE CD* . 27271 1 597 . 1 1 47 47 PHE CD2 C 13 130.883 0.044 . 3 . . . . . 545 PHE CD* . 27271 1 598 . 1 1 47 47 PHE N N 15 113.166 0.082 . 1 . . . . . 545 PHE N . 27271 1 599 . 1 1 48 48 ASP H H 1 9.092 0.013 . 1 . . . . . 546 ASP HN . 27271 1 600 . 1 1 48 48 ASP HA H 1 4.956 0.013 . 1 . . . . . 546 ASP HA . 27271 1 601 . 1 1 48 48 ASP HB2 H 1 2.779 0.005 . 2 . . . . . 546 ASP HB2 . 27271 1 602 . 1 1 48 48 ASP HB3 H 1 2.424 0.005 . 2 . . . . . 546 ASP HB3 . 27271 1 603 . 1 1 48 48 ASP C C 13 176.182 0.000 . 1 . . . . . 546 ASP C . 27271 1 604 . 1 1 48 48 ASP CA C 13 49.241 0.071 . 1 . . . . . 546 ASP CA . 27271 1 605 . 1 1 48 48 ASP CB C 13 40.244 0.125 . 1 . . . . . 546 ASP CB . 27271 1 606 . 1 1 48 48 ASP N N 15 120.489 0.078 . 1 . . . . . 546 ASP N . 27271 1 607 . 1 1 49 49 LEU H H 1 8.628 0.017 . 1 . . . . . 547 LEU HN . 27271 1 608 . 1 1 49 49 LEU HA H 1 4.043 0.013 . 1 . . . . . 547 LEU HA . 27271 1 609 . 1 1 49 49 LEU HB2 H 1 1.943 0.019 . 2 . . . . . 547 LEU HB2 . 27271 1 610 . 1 1 49 49 LEU HB3 H 1 1.589 0.015 . 2 . . . . . 547 LEU HB3 . 27271 1 611 . 1 1 49 49 LEU HG H 1 1.932 0.023 . 1 . . . . . 547 LEU HG . 27271 1 612 . 1 1 49 49 LEU HD11 H 1 1.009 0.015 . 1 . . . . . 547 LEU QD1 . 27271 1 613 . 1 1 49 49 LEU HD12 H 1 1.009 0.015 . 1 . . . . . 547 LEU QD1 . 27271 1 614 . 1 1 49 49 LEU HD13 H 1 1.009 0.015 . 1 . . . . . 547 LEU QD1 . 27271 1 615 . 1 1 49 49 LEU HD21 H 1 0.975 0.025 . 1 . . . . . 547 LEU QD2 . 27271 1 616 . 1 1 49 49 LEU HD22 H 1 0.975 0.025 . 1 . . . . . 547 LEU QD2 . 27271 1 617 . 1 1 49 49 LEU HD23 H 1 0.975 0.025 . 1 . . . . . 547 LEU QD2 . 27271 1 618 . 1 1 49 49 LEU C C 13 175.844 0.000 . 1 . . . . . 547 LEU C . 27271 1 619 . 1 1 49 49 LEU CA C 13 55.722 0.080 . 1 . . . . . 547 LEU CA . 27271 1 620 . 1 1 49 49 LEU CB C 13 40.278 0.080 . 1 . . . . . 547 LEU CB . 27271 1 621 . 1 1 49 49 LEU CG C 13 24.61 0.124 . 1 . . . . . 547 LEU CG . 27271 1 622 . 1 1 49 49 LEU CD1 C 13 24.236 0.075 . 1 . . . . . 547 LEU CD1 . 27271 1 623 . 1 1 49 49 LEU CD2 C 13 21.687 0.077 . 1 . . . . . 547 LEU CD2 . 27271 1 624 . 1 1 49 49 LEU N N 15 125.816 0.083 . 1 . . . . . 547 LEU N . 27271 1 625 . 1 1 50 50 CYS H H 1 8.565 0.012 . 1 . . . . . 548 CYS HN . 27271 1 626 . 1 1 50 50 CYS HA H 1 3.977 0.017 . 1 . . . . . 548 CYS HA . 27271 1 627 . 1 1 50 50 CYS HB2 H 1 2.957 0.021 . 2 . . . . . 548 CYS HB2 . 27271 1 628 . 1 1 50 50 CYS HB3 H 1 2.965 0.014 . 2 . . . . . 548 CYS HB3 . 27271 1 629 . 1 1 50 50 CYS C C 13 172.179 0.000 . 1 . . . . . 548 CYS C . 27271 1 630 . 1 1 50 50 CYS CA C 13 58.677 0.101 . 1 . . . . . 548 CYS CA . 27271 1 631 . 1 1 50 50 CYS CB C 13 24.396 0.082 . 1 . . . . . 548 CYS CB . 27271 1 632 . 1 1 50 50 CYS N N 15 113.757 0.077 . 1 . . . . . 548 CYS N . 27271 1 633 . 1 1 51 51 SER H H 1 7.62 0.012 . 1 . . . . . 549 SER HN . 27271 1 634 . 1 1 51 51 SER HA H 1 4.391 0.035 . 1 . . . . . 549 SER HA . 27271 1 635 . 1 1 51 51 SER HB2 H 1 3.878 0.034 . 2 . . . . . 549 SER HB2 . 27271 1 636 . 1 1 51 51 SER HB3 H 1 3.773 0.051 . 2 . . . . . 549 SER HB3 . 27271 1 637 . 1 1 51 51 SER C C 13 170.916 0.000 . 1 . . . . . 549 SER C . 27271 1 638 . 1 1 51 51 SER CA C 13 55.979 0.072 . 1 . . . . . 549 SER CA . 27271 1 639 . 1 1 51 51 SER CB C 13 61.829 0.042 . 1 . . . . . 549 SER CB . 27271 1 640 . 1 1 51 51 SER N N 15 113.177 0.094 . 1 . . . . . 549 SER N . 27271 1 641 . 1 1 52 52 LEU H H 1 6.71 0.015 . 1 . . . . . 550 LEU HN . 27271 1 642 . 1 1 52 52 LEU HA H 1 4.395 0.009 . 1 . . . . . 550 LEU HA . 27271 1 643 . 1 1 52 52 LEU HB2 H 1 1.826 0.013 . 2 . . . . . 550 LEU HB2 . 27271 1 644 . 1 1 52 52 LEU HB3 H 1 1.392 0.019 . 2 . . . . . 550 LEU HB3 . 27271 1 645 . 1 1 52 52 LEU HG H 1 2.132 0.009 . 1 . . . . . 550 LEU HG . 27271 1 646 . 1 1 52 52 LEU HD11 H 1 0.947 0.011 . 1 . . . . . 550 LEU QD1 . 27271 1 647 . 1 1 52 52 LEU HD12 H 1 0.947 0.011 . 1 . . . . . 550 LEU QD1 . 27271 1 648 . 1 1 52 52 LEU HD13 H 1 0.947 0.011 . 1 . . . . . 550 LEU QD1 . 27271 1 649 . 1 1 52 52 LEU HD21 H 1 0.927 0.018 . 1 . . . . . 550 LEU QD2 . 27271 1 650 . 1 1 52 52 LEU HD22 H 1 0.927 0.018 . 1 . . . . . 550 LEU QD2 . 27271 1 651 . 1 1 52 52 LEU HD23 H 1 0.927 0.018 . 1 . . . . . 550 LEU QD2 . 27271 1 652 . 1 1 52 52 LEU C C 13 174.24 0.000 . 1 . . . . . 550 LEU C . 27271 1 653 . 1 1 52 52 LEU CA C 13 50.882 0.079 . 1 . . . . . 550 LEU CA . 27271 1 654 . 1 1 52 52 LEU CB C 13 40.929 0.083 . 1 . . . . . 550 LEU CB . 27271 1 655 . 1 1 52 52 LEU CG C 13 23.716 0.067 . 1 . . . . . 550 LEU CG . 27271 1 656 . 1 1 52 52 LEU CD1 C 13 19.457 0.064 . 1 . . . . . 550 LEU CD1 . 27271 1 657 . 1 1 52 52 LEU CD2 C 13 24.581 0.068 . 1 . . . . . 550 LEU CD2 . 27271 1 658 . 1 1 52 52 LEU N N 15 118.35 0.127 . 1 . . . . . 550 LEU N . 27271 1 659 . 1 1 53 53 ASP H H 1 8.983 0.017 . 1 . . . . . 551 ASP HN . 27271 1 660 . 1 1 53 53 ASP HA H 1 4.614 0.027 . 1 . . . . . 551 ASP HA . 27271 1 661 . 1 1 53 53 ASP HB2 H 1 2.95 0.010 . 2 . . . . . 551 ASP HB2 . 27271 1 662 . 1 1 53 53 ASP HB3 H 1 2.757 0.018 . 2 . . . . . 551 ASP HB3 . 27271 1 663 . 1 1 53 53 ASP C C 13 173.73 0.000 . 1 . . . . . 551 ASP C . 27271 1 664 . 1 1 53 53 ASP CA C 13 50.799 0.143 . 1 . . . . . 551 ASP CA . 27271 1 665 . 1 1 53 53 ASP CB C 13 39.333 0.095 . 1 . . . . . 551 ASP CB . 27271 1 666 . 1 1 53 53 ASP N N 15 121.85 0.091 . 1 . . . . . 551 ASP N . 27271 1 667 . 1 1 54 54 LYS H H 1 8.566 0.016 . 1 . . . . . 552 LYS HN . 27271 1 668 . 1 1 54 54 LYS HA H 1 4.07 0.008 . 1 . . . . . 552 LYS HA . 27271 1 669 . 1 1 54 54 LYS HB2 H 1 1.697 0.009 . 2 . . . . . 552 LYS HB2 . 27271 1 670 . 1 1 54 54 LYS HB3 H 1 1.705 0.009 . 2 . . . . . 552 LYS HB3 . 27271 1 671 . 1 1 54 54 LYS HG2 H 1 1.39 0.019 . 2 . . . . . 552 LYS HG2 . 27271 1 672 . 1 1 54 54 LYS HG3 H 1 1.332 0.041 . 2 . . . . . 552 LYS HG3 . 27271 1 673 . 1 1 54 54 LYS HD2 H 1 1.385 0.019 . 2 . . . . . 552 LYS HD2 . 27271 1 674 . 1 1 54 54 LYS HD3 H 1 1.391 0.013 . 2 . . . . . 552 LYS HD3 . 27271 1 675 . 1 1 54 54 LYS HE2 H 1 2.267 0.005 . 2 . . . . . 552 LYS HE2 . 27271 1 676 . 1 1 54 54 LYS HE3 H 1 2.461 0.010 . 2 . . . . . 552 LYS HE3 . 27271 1 677 . 1 1 54 54 LYS C C 13 176.346 0.000 . 1 . . . . . 552 LYS C . 27271 1 678 . 1 1 54 54 LYS CA C 13 57.564 0.072 . 1 . . . . . 552 LYS CA . 27271 1 679 . 1 1 54 54 LYS CB C 13 29.782 0.080 . 1 . . . . . 552 LYS CB . 27271 1 680 . 1 1 54 54 LYS CG C 13 22.856 0.075 . 1 . . . . . 552 LYS CG . 27271 1 681 . 1 1 54 54 LYS CD C 13 26.822 0.107 . 1 . . . . . 552 LYS CD . 27271 1 682 . 1 1 54 54 LYS CE C 13 39.001 0.099 . 1 . . . . . 552 LYS CE . 27271 1 683 . 1 1 54 54 LYS N N 15 121.457 0.079 . 1 . . . . . 552 LYS N . 27271 1 684 . 1 1 55 55 THR H H 1 8.185 0.017 . 1 . . . . . 553 THR HN . 27271 1 685 . 1 1 55 55 THR HA H 1 3.85 0.009 . 1 . . . . . 553 THR HA . 27271 1 686 . 1 1 55 55 THR HB H 1 4.126 0.012 . 1 . . . . . 553 THR HB . 27271 1 687 . 1 1 55 55 THR HG21 H 1 1.196 0.013 . 1 . . . . . 553 THR QG2 . 27271 1 688 . 1 1 55 55 THR HG22 H 1 1.196 0.013 . 1 . . . . . 553 THR QG2 . 27271 1 689 . 1 1 55 55 THR HG23 H 1 1.196 0.013 . 1 . . . . . 553 THR QG2 . 27271 1 690 . 1 1 55 55 THR C C 13 174.343 0.000 . 1 . . . . . 553 THR C . 27271 1 691 . 1 1 55 55 THR CA C 13 63.51 0.076 . 1 . . . . . 553 THR CA . 27271 1 692 . 1 1 55 55 THR CB C 13 65.728 0.079 . 1 . . . . . 553 THR CB . 27271 1 693 . 1 1 55 55 THR CG2 C 13 19.623 0.098 . 1 . . . . . 553 THR CG2 . 27271 1 694 . 1 1 55 55 THR N N 15 113.366 0.079 . 1 . . . . . 553 THR N . 27271 1 695 . 1 1 56 56 THR H H 1 7.833 0.011 . 1 . . . . . 554 THR HN . 27271 1 696 . 1 1 56 56 THR HA H 1 3.774 0.019 . 1 . . . . . 554 THR HA . 27271 1 697 . 1 1 56 56 THR HB H 1 4.229 0.006 . 1 . . . . . 554 THR HB . 27271 1 698 . 1 1 56 56 THR HG21 H 1 1.102 0.008 . 1 . . . . . 554 THR QG2 . 27271 1 699 . 1 1 56 56 THR HG22 H 1 1.102 0.008 . 1 . . . . . 554 THR QG2 . 27271 1 700 . 1 1 56 56 THR HG23 H 1 1.102 0.008 . 1 . . . . . 554 THR QG2 . 27271 1 701 . 1 1 56 56 THR C C 13 173.442 0.000 . 1 . . . . . 554 THR C . 27271 1 702 . 1 1 56 56 THR CA C 13 64.342 0.010 . 1 . . . . . 554 THR CA . 27271 1 703 . 1 1 56 56 THR CB C 13 64.895 0.199 . 1 . . . . . 554 THR CB . 27271 1 704 . 1 1 56 56 THR CG2 C 13 20.394 0.097 . 1 . . . . . 554 THR CG2 . 27271 1 705 . 1 1 56 56 THR N N 15 120.959 0.129 . 1 . . . . . 554 THR N . 27271 1 706 . 1 1 57 57 VAL H H 1 7.824 0.009 . 1 . . . . . 555 VAL HN . 27271 1 707 . 1 1 57 57 VAL HA H 1 3.319 0.008 . 1 . . . . . 555 VAL HA . 27271 1 708 . 1 1 57 57 VAL HB H 1 2.241 0.009 . 1 . . . . . 555 VAL HB . 27271 1 709 . 1 1 57 57 VAL HG11 H 1 0.791 0.012 . 1 . . . . . 555 VAL QG1 . 27271 1 710 . 1 1 57 57 VAL HG12 H 1 0.791 0.012 . 1 . . . . . 555 VAL QG1 . 27271 1 711 . 1 1 57 57 VAL HG13 H 1 0.791 0.012 . 1 . . . . . 555 VAL QG1 . 27271 1 712 . 1 1 57 57 VAL HG21 H 1 1.006 0.019 . 1 . . . . . 555 VAL QG2 . 27271 1 713 . 1 1 57 57 VAL HG22 H 1 1.006 0.019 . 1 . . . . . 555 VAL QG2 . 27271 1 714 . 1 1 57 57 VAL HG23 H 1 1.006 0.019 . 1 . . . . . 555 VAL QG2 . 27271 1 715 . 1 1 57 57 VAL C C 13 174.614 0.000 . 1 . . . . . 555 VAL C . 27271 1 716 . 1 1 57 57 VAL CA C 13 65.661 0.078 . 1 . . . . . 555 VAL CA . 27271 1 717 . 1 1 57 57 VAL CB C 13 29.042 0.070 . 1 . . . . . 555 VAL CB . 27271 1 718 . 1 1 57 57 VAL CG1 C 13 17.686 0.044 . 1 . . . . . 555 VAL CG1 . 27271 1 719 . 1 1 57 57 VAL CG2 C 13 21.628 0.050 . 1 . . . . . 555 VAL CG2 . 27271 1 720 . 1 1 57 57 VAL N N 15 122.722 0.078 . 1 . . . . . 555 VAL N . 27271 1 721 . 1 1 58 58 ARG H H 1 8.262 0.011 . 1 . . . . . 556 ARG HN . 27271 1 722 . 1 1 58 58 ARG HA H 1 4.366 0.013 . 1 . . . . . 556 ARG HA . 27271 1 723 . 1 1 58 58 ARG HB2 H 1 1.879 0.030 . 2 . . . . . 556 ARG HB2 . 27271 1 724 . 1 1 58 58 ARG HB3 H 1 1.869 0.020 . 2 . . . . . 556 ARG HB3 . 27271 1 725 . 1 1 58 58 ARG HG2 H 1 1.736 0.007 . 2 . . . . . 556 ARG HG2 . 27271 1 726 . 1 1 58 58 ARG HG3 H 1 1.743 0.003 . 2 . . . . . 556 ARG HG3 . 27271 1 727 . 1 1 58 58 ARG HD2 H 1 3.129 0.027 . 2 . . . . . 556 ARG HD2 . 27271 1 728 . 1 1 58 58 ARG HD3 H 1 3.224 0.025 . 2 . . . . . 556 ARG HD3 . 27271 1 729 . 1 1 58 58 ARG C C 13 177.315 0.000 . 1 . . . . . 556 ARG C . 27271 1 730 . 1 1 58 58 ARG CA C 13 55.937 0.041 . 1 . . . . . 556 ARG CA . 27271 1 731 . 1 1 58 58 ARG CB C 13 26.61 0.059 . 1 . . . . . 556 ARG CB . 27271 1 732 . 1 1 58 58 ARG CG C 13 25.212 0.059 . 1 . . . . . 556 ARG CG . 27271 1 733 . 1 1 58 58 ARG CD C 13 40.453 0.065 . 1 . . . . . 556 ARG CD . 27271 1 734 . 1 1 58 58 ARG N N 15 118.622 0.152 . 1 . . . . . 556 ARG N . 27271 1 735 . 1 1 59 59 LYS H H 1 7.668 0.015 . 1 . . . . . 557 LYS HN . 27271 1 736 . 1 1 59 59 LYS HA H 1 3.879 0.017 . 1 . . . . . 557 LYS HA . 27271 1 737 . 1 1 59 59 LYS HB2 H 1 1.87 0.012 . 2 . . . . . 557 LYS HB2 . 27271 1 738 . 1 1 59 59 LYS HB3 H 1 1.664 0.020 . 2 . . . . . 557 LYS HB3 . 27271 1 739 . 1 1 59 59 LYS HG2 H 1 1.372 0.023 . 2 . . . . . 557 LYS HG2 . 27271 1 740 . 1 1 59 59 LYS HG3 H 1 1.327 0.031 . 2 . . . . . 557 LYS HG3 . 27271 1 741 . 1 1 59 59 LYS HE2 H 1 2.838 0.030 . 2 . . . . . 557 LYS HE2 . 27271 1 742 . 1 1 59 59 LYS HE3 H 1 2.78 0.013 . 2 . . . . . 557 LYS HE3 . 27271 1 743 . 1 1 59 59 LYS C C 13 176.208 0.000 . 1 . . . . . 557 LYS C . 27271 1 744 . 1 1 59 59 LYS CA C 13 56.574 0.099 . 1 . . . . . 557 LYS CA . 27271 1 745 . 1 1 59 59 LYS CB C 13 29.511 0.111 . 1 . . . . . 557 LYS CB . 27271 1 746 . 1 1 59 59 LYS CG C 13 22.835 0.044 . 1 . . . . . 557 LYS CG . 27271 1 747 . 1 1 59 59 LYS CD C 13 26.702 0.000 . 1 . . . . . 557 LYS CD . 27271 1 748 . 1 1 59 59 LYS CE C 13 39.492 0.029 . 1 . . . . . 557 LYS CE . 27271 1 749 . 1 1 59 59 LYS N N 15 121.115 0.084 . 1 . . . . . 557 LYS N . 27271 1 750 . 1 1 60 60 LEU H H 1 8.146 0.013 . 1 . . . . . 558 LEU HN . 27271 1 751 . 1 1 60 60 LEU HA H 1 3.712 0.008 . 1 . . . . . 558 LEU HA . 27271 1 752 . 1 1 60 60 LEU HB2 H 1 1.369 0.008 . 2 . . . . . 558 LEU HB2 . 27271 1 753 . 1 1 60 60 LEU HB3 H 1 2.206 0.010 . 2 . . . . . 558 LEU HB3 . 27271 1 754 . 1 1 60 60 LEU HG H 1 1.822 0.010 . 1 . . . . . 558 LEU HG . 27271 1 755 . 1 1 60 60 LEU HD11 H 1 0.861 0.014 . 1 . . . . . 558 LEU QD1 . 27271 1 756 . 1 1 60 60 LEU HD12 H 1 0.861 0.014 . 1 . . . . . 558 LEU QD1 . 27271 1 757 . 1 1 60 60 LEU HD13 H 1 0.861 0.014 . 1 . . . . . 558 LEU QD1 . 27271 1 758 . 1 1 60 60 LEU HD21 H 1 0.868 0.009 . 1 . . . . . 558 LEU QD2 . 27271 1 759 . 1 1 60 60 LEU HD22 H 1 0.868 0.009 . 1 . . . . . 558 LEU QD2 . 27271 1 760 . 1 1 60 60 LEU HD23 H 1 0.868 0.009 . 1 . . . . . 558 LEU QD2 . 27271 1 761 . 1 1 60 60 LEU C C 13 175.938 0.000 . 1 . . . . . 558 LEU C . 27271 1 762 . 1 1 60 60 LEU CA C 13 55.975 0.086 . 1 . . . . . 558 LEU CA . 27271 1 763 . 1 1 60 60 LEU CB C 13 40.104 0.075 . 1 . . . . . 558 LEU CB . 27271 1 764 . 1 1 60 60 LEU CG C 13 23.983 0.000 . 1 . . . . . 558 LEU CG . 27271 1 765 . 1 1 60 60 LEU CD1 C 13 23.909 0.089 . 1 . . . . . 558 LEU CD1 . 27271 1 766 . 1 1 60 60 LEU CD2 C 13 22.988 0.070 . 1 . . . . . 558 LEU CD2 . 27271 1 767 . 1 1 60 60 LEU N N 15 120.328 0.090 . 1 . . . . . 558 LEU N . 27271 1 768 . 1 1 61 61 GLN H H 1 8.307 0.011 . 1 . . . . . 559 GLN HN . 27271 1 769 . 1 1 61 61 GLN HA H 1 3.832 0.014 . 1 . . . . . 559 GLN HA . 27271 1 770 . 1 1 61 61 GLN HB2 H 1 1.978 0.017 . 2 . . . . . 559 GLN HB2 . 27271 1 771 . 1 1 61 61 GLN HB3 H 1 2.339 0.016 . 2 . . . . . 559 GLN HB3 . 27271 1 772 . 1 1 61 61 GLN HG2 H 1 2.53 0.010 . 2 . . . . . 559 GLN HG2 . 27271 1 773 . 1 1 61 61 GLN HG3 H 1 2.245 0.026 . 2 . . . . . 559 GLN HG3 . 27271 1 774 . 1 1 61 61 GLN HE21 H 1 7.264 0.014 . 2 . . . . . 559 GLN HE21 . 27271 1 775 . 1 1 61 61 GLN HE22 H 1 7.557 0.005 . 2 . . . . . 559 GLN HE22 . 27271 1 776 . 1 1 61 61 GLN C C 13 176.828 0.000 . 1 . . . . . 559 GLN C . 27271 1 777 . 1 1 61 61 GLN CA C 13 56.818 0.059 . 1 . . . . . 559 GLN CA . 27271 1 778 . 1 1 61 61 GLN CB C 13 26.007 0.119 . 1 . . . . . 559 GLN CB . 27271 1 779 . 1 1 61 61 GLN CG C 13 32.42 0.077 . 1 . . . . . 559 GLN CG . 27271 1 780 . 1 1 61 61 GLN N N 15 115.485 0.149 . 1 . . . . . 559 GLN N . 27271 1 781 . 1 1 61 61 GLN NE2 N 15 112.058 0.026 . 1 . . . . . 559 GLN NE2 . 27271 1 782 . 1 1 62 62 SER H H 1 7.898 0.007 . 1 . . . . . 560 SER HN . 27271 1 783 . 1 1 62 62 SER HA H 1 4.239 0.006 . 1 . . . . . 560 SER HA . 27271 1 784 . 1 1 62 62 SER HB2 H 1 3.921 0.007 . 2 . . . . . 560 SER HB2 . 27271 1 785 . 1 1 62 62 SER HB3 H 1 3.917 0.007 . 2 . . . . . 560 SER HB3 . 27271 1 786 . 1 1 62 62 SER C C 13 174.343 0.000 . 1 . . . . . 560 SER C . 27271 1 787 . 1 1 62 62 SER CA C 13 58.963 0.105 . 1 . . . . . 560 SER CA . 27271 1 788 . 1 1 62 62 SER CB C 13 60.138 0.077 . 1 . . . . . 560 SER CB . 27271 1 789 . 1 1 62 62 SER N N 15 115.61 0.151 . 1 . . . . . 560 SER N . 27271 1 790 . 1 1 63 63 TYR H H 1 7.852 0.015 . 1 . . . . . 561 TYR HN . 27271 1 791 . 1 1 63 63 TYR HA H 1 4.539 0.006 . 1 . . . . . 561 TYR HA . 27271 1 792 . 1 1 63 63 TYR HB2 H 1 3.113 0.027 . 2 . . . . . 561 TYR HB2 . 27271 1 793 . 1 1 63 63 TYR HB3 H 1 2.997 0.030 . 2 . . . . . 561 TYR HB3 . 27271 1 794 . 1 1 63 63 TYR HD1 H 1 6.887 0.015 . 3 . . . . . 561 TYR QD . 27271 1 795 . 1 1 63 63 TYR HD2 H 1 6.887 0.015 . 3 . . . . . 561 TYR QD . 27271 1 796 . 1 1 63 63 TYR HE1 H 1 6.6 0.011 . 3 . . . . . 561 TYR QE . 27271 1 797 . 1 1 63 63 TYR HE2 H 1 6.6 0.011 . 3 . . . . . 561 TYR QE . 27271 1 798 . 1 1 63 63 TYR C C 13 175.32 0.000 . 1 . . . . . 561 TYR C . 27271 1 799 . 1 1 63 63 TYR CA C 13 55.75 0.116 . 1 . . . . . 561 TYR CA . 27271 1 800 . 1 1 63 63 TYR CB C 13 34.352 0.066 . 1 . . . . . 561 TYR CB . 27271 1 801 . 1 1 63 63 TYR CD1 C 13 129.009 0.031 . 3 . . . . . 561 TYR CD* . 27271 1 802 . 1 1 63 63 TYR CD2 C 13 129.009 0.031 . 3 . . . . . 561 TYR CD* . 27271 1 803 . 1 1 63 63 TYR CE1 C 13 115.708 0.078 . 3 . . . . . 561 TYR CE* . 27271 1 804 . 1 1 63 63 TYR CE2 C 13 115.708 0.078 . 3 . . . . . 561 TYR CE* . 27271 1 805 . 1 1 63 63 TYR N N 15 121.323 0.102 . 1 . . . . . 561 TYR N . 27271 1 806 . 1 1 64 64 LEU H H 1 7.569 0.014 . 1 . . . . . 562 LEU HN . 27271 1 807 . 1 1 64 64 LEU HA H 1 4.147 0.016 . 1 . . . . . 562 LEU HA . 27271 1 808 . 1 1 64 64 LEU HB2 H 1 1.6 0.008 . 2 . . . . . 562 LEU HB2 . 27271 1 809 . 1 1 64 64 LEU HB3 H 1 1.806 0.011 . 2 . . . . . 562 LEU HB3 . 27271 1 810 . 1 1 64 64 LEU HG H 1 1.819 0.009 . 1 . . . . . 562 LEU HG . 27271 1 811 . 1 1 64 64 LEU HD11 H 1 0.803 0.020 . 2 . . . . . 562 LEU QD1 . 27271 1 812 . 1 1 64 64 LEU HD12 H 1 0.803 0.020 . 2 . . . . . 562 LEU QD1 . 27271 1 813 . 1 1 64 64 LEU HD13 H 1 0.803 0.020 . 2 . . . . . 562 LEU QD1 . 27271 1 814 . 1 1 64 64 LEU HD21 H 1 0.793 0.024 . 2 . . . . . 562 LEU QD2 . 27271 1 815 . 1 1 64 64 LEU HD22 H 1 0.793 0.024 . 2 . . . . . 562 LEU QD2 . 27271 1 816 . 1 1 64 64 LEU HD23 H 1 0.793 0.024 . 2 . . . . . 562 LEU QD2 . 27271 1 817 . 1 1 64 64 LEU C C 13 175.456 0.000 . 1 . . . . . 562 LEU C . 27271 1 818 . 1 1 64 64 LEU CA C 13 53.433 0.082 . 1 . . . . . 562 LEU CA . 27271 1 819 . 1 1 64 64 LEU CB C 13 38.968 0.044 . 1 . . . . . 562 LEU CB . 27271 1 820 . 1 1 64 64 LEU CG C 13 24.592 0.114 . 1 . . . . . 562 LEU CG . 27271 1 821 . 1 1 64 64 LEU CD1 C 13 23.387 0.084 . 2 . . . . . 562 LEU CD1 . 27271 1 822 . 1 1 64 64 LEU CD2 C 13 21.023 0.051 . 2 . . . . . 562 LEU CD2 . 27271 1 823 . 1 1 64 64 LEU N N 15 117.309 0.096 . 1 . . . . . 562 LEU N . 27271 1 824 . 1 1 65 65 GLU H H 1 7.661 0.014 . 1 . . . . . 563 GLU HN . 27271 1 825 . 1 1 65 65 GLU HA H 1 4.237 0.008 . 1 . . . . . 563 GLU HA . 27271 1 826 . 1 1 65 65 GLU HB2 H 1 2.069 0.019 . 2 . . . . . 563 GLU HB2 . 27271 1 827 . 1 1 65 65 GLU HB3 H 1 2.068 0.017 . 2 . . . . . 563 GLU HB3 . 27271 1 828 . 1 1 65 65 GLU HG2 H 1 2.287 0.021 . 2 . . . . . 563 GLU HG2 . 27271 1 829 . 1 1 65 65 GLU HG3 H 1 2.342 0.017 . 2 . . . . . 563 GLU HG3 . 27271 1 830 . 1 1 65 65 GLU C C 13 174.744 0.000 . 1 . . . . . 563 GLU C . 27271 1 831 . 1 1 65 65 GLU CA C 13 54.917 0.086 . 1 . . . . . 563 GLU CA . 27271 1 832 . 1 1 65 65 GLU CB C 13 27.314 0.086 . 1 . . . . . 563 GLU CB . 27271 1 833 . 1 1 65 65 GLU CG C 13 33.431 0.045 . 1 . . . . . 563 GLU CG . 27271 1 834 . 1 1 65 65 GLU N N 15 119.496 0.104 . 1 . . . . . 563 GLU N . 27271 1 835 . 1 1 66 66 THR H H 1 7.929 0.007 . 1 . . . . . 564 THR HN . 27271 1 836 . 1 1 66 66 THR HA H 1 4.349 0.030 . 1 . . . . . 564 THR HA . 27271 1 837 . 1 1 66 66 THR HB H 1 4.318 0.026 . 1 . . . . . 564 THR HB . 27271 1 838 . 1 1 66 66 THR HG21 H 1 1.192 0.027 . 1 . . . . . 564 THR QG2 . 27271 1 839 . 1 1 66 66 THR HG22 H 1 1.192 0.027 . 1 . . . . . 564 THR QG2 . 27271 1 840 . 1 1 66 66 THR HG23 H 1 1.192 0.027 . 1 . . . . . 564 THR QG2 . 27271 1 841 . 1 1 66 66 THR C C 13 172.311 0.000 . 1 . . . . . 564 THR C . 27271 1 842 . 1 1 66 66 THR CA C 13 59.516 0.243 . 1 . . . . . 564 THR CA . 27271 1 843 . 1 1 66 66 THR CB C 13 67.19 0.281 . 1 . . . . . 564 THR CB . 27271 1 844 . 1 1 66 66 THR CG2 C 13 19.095 0.144 . 1 . . . . . 564 THR CG2 . 27271 1 845 . 1 1 66 66 THR N N 15 112.186 0.067 . 1 . . . . . 564 THR N . 27271 1 846 . 1 1 67 67 SER H H 1 8.043 0.018 . 1 . . . . . 565 SER HN . 27271 1 847 . 1 1 67 67 SER HA H 1 4.378 0.019 . 1 . . . . . 565 SER HA . 27271 1 848 . 1 1 67 67 SER HB2 H 1 3.855 0.009 . 2 . . . . . 565 SER HB2 . 27271 1 849 . 1 1 67 67 SER HB3 H 1 3.859 0.010 . 2 . . . . . 565 SER HB3 . 27271 1 850 . 1 1 67 67 SER C C 13 172.375 0.000 . 1 . . . . . 565 SER C . 27271 1 851 . 1 1 67 67 SER CA C 13 56.275 0.178 . 1 . . . . . 565 SER CA . 27271 1 852 . 1 1 67 67 SER CB C 13 61.291 0.088 . 1 . . . . . 565 SER CB . 27271 1 853 . 1 1 67 67 SER N N 15 117.582 0.197 . 1 . . . . . 565 SER N . 27271 1 854 . 1 1 68 68 GLY H H 1 8.412 0.026 . 1 . . . . . 566 GLY HN . 27271 1 855 . 1 1 68 68 GLY HA3 H 1 3.991 0.005 . 2 . . . . . 566 GLY HA3 . 27271 1 856 . 1 1 68 68 GLY C C 13 171.669 0.000 . 1 . . . . . 566 GLY C . 27271 1 857 . 1 1 68 68 GLY CA C 13 42.837 0.160 . 1 . . . . . 566 GLY CA . 27271 1 858 . 1 1 68 68 GLY N N 15 110.83 0.107 . 1 . . . . . 566 GLY N . 27271 1 859 . 1 1 69 69 THR H H 1 7.973 0.013 . 1 . . . . . 567 THR HN . 27271 1 860 . 1 1 69 69 THR HA H 1 4.385 0.012 . 1 . . . . . 567 THR HA . 27271 1 861 . 1 1 69 69 THR HB H 1 4.192 0.020 . 1 . . . . . 567 THR HB . 27271 1 862 . 1 1 69 69 THR HG21 H 1 1.14 0.007 . 1 . . . . . 567 THR QG2 . 27271 1 863 . 1 1 69 69 THR HG22 H 1 1.14 0.007 . 1 . . . . . 567 THR QG2 . 27271 1 864 . 1 1 69 69 THR HG23 H 1 1.14 0.007 . 1 . . . . . 567 THR QG2 . 27271 1 865 . 1 1 69 69 THR C C 13 171.274 0.000 . 1 . . . . . 567 THR C . 27271 1 866 . 1 1 69 69 THR CA C 13 59.16 0.149 . 1 . . . . . 567 THR CA . 27271 1 867 . 1 1 69 69 THR CB C 13 67.437 0.180 . 1 . . . . . 567 THR CB . 27271 1 868 . 1 1 69 69 THR CG2 C 13 19.171 0.126 . 1 . . . . . 567 THR CG2 . 27271 1 869 . 1 1 69 69 THR N N 15 112.982 0.068 . 1 . . . . . 567 THR N . 27271 1 870 . 1 1 70 70 SER H H 1 7.952 0.006 . 1 . . . . . 568 SER HN . 27271 1 871 . 1 1 70 70 SER HA H 1 4.219 0.004 . 1 . . . . . 568 SER HA . 27271 1 872 . 1 1 70 70 SER HB2 H 1 3.787 0.003 . 2 . . . . . 568 SER HB2 . 27271 1 873 . 1 1 70 70 SER HB3 H 1 3.798 0.000 . 2 . . . . . 568 SER HB3 . 27271 1 874 . 1 1 70 70 SER CA C 13 57.515 0.110 . 1 . . . . . 568 SER CA . 27271 1 875 . 1 1 70 70 SER CB C 13 62.197 0.091 . 1 . . . . . 568 SER CB . 27271 1 876 . 1 1 70 70 SER N N 15 123.589 0.140 . 1 . . . . . 568 SER N . 27271 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27271 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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' . . . 27271 2 2 '2D 1H-13C HSQC' . . . 27271 2 3 '3D HNCO' . . . 27271 2 4 '3D HNHA' . . . 27271 2 5 '3D HNCACB' . . . 27271 2 6 '3D CBCA(CO)NH' . . . 27271 2 7 '3D HCCH-TOCSY' . . . 27271 2 8 '3D C(CO)NH' . . . 27271 2 9 '3D 1H-13C NOESY aromatic' . . . 27271 2 10 '3D 1H-13C NOESY aliphatic' . . . 27271 2 11 '3D 1H-15N NOESY' . . . 27271 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 THR C C 13 172.165 0.000 . 1 . . . . . 1175 THR C . 27271 2 2 . 2 2 2 2 THR CA C 13 59.339 0.037 . 1 . . . . . 1175 THR CA . 27271 2 3 . 2 2 2 2 THR CB C 13 67.29 0.019 . 1 . . . . . 1175 THR CB . 27271 2 4 . 2 2 2 2 THR CG2 C 13 19.122 0.000 . 1 . . . . . 1175 THR CG2 . 27271 2 5 . 2 2 3 3 THR H H 1 8.238 0.007 . 1 . . . . . 1176 THR HN . 27271 2 6 . 2 2 3 3 THR HA H 1 4.315 0.000 . 1 . . . . . 1176 THR HA . 27271 2 7 . 2 2 3 3 THR C C 13 171.543 0.000 . 1 . . . . . 1176 THR C . 27271 2 8 . 2 2 3 3 THR CA C 13 59.271 0.055 . 1 . . . . . 1176 THR CA . 27271 2 9 . 2 2 3 3 THR CB C 13 67.175 0.075 . 1 . . . . . 1176 THR CB . 27271 2 10 . 2 2 3 3 THR CG2 C 13 19.088 0.000 . 1 . . . . . 1176 THR CG2 . 27271 2 11 . 2 2 3 3 THR N N 15 116.33 0.159 . 1 . . . . . 1176 THR N . 27271 2 12 . 2 2 4 4 ASN H H 1 8.474 0.007 . 1 . . . . . 1177 ASN HN . 27271 2 13 . 2 2 4 4 ASN HA H 1 4.67 0.020 . 1 . . . . . 1177 ASN HA . 27271 2 14 . 2 2 4 4 ASN HB2 H 1 2.673 0.000 . 2 . . . . . 1177 ASN HB2 . 27271 2 15 . 2 2 4 4 ASN HB3 H 1 2.798 0.000 . 2 . . . . . 1177 ASN HB3 . 27271 2 16 . 2 2 4 4 ASN C C 13 172.553 0.000 . 1 . . . . . 1177 ASN C . 27271 2 17 . 2 2 4 4 ASN CA C 13 50.64 0.093 . 1 . . . . . 1177 ASN CA . 27271 2 18 . 2 2 4 4 ASN CB C 13 36.217 0.136 . 1 . . . . . 1177 ASN CB . 27271 2 19 . 2 2 4 4 ASN N N 15 121.403 0.089 . 1 . . . . . 1177 ASN N . 27271 2 20 . 2 2 5 5 SER H H 1 8.3 0.007 . 1 . . . . . 1178 SER HN . 27271 2 21 . 2 2 5 5 SER HA H 1 4.41 0.000 . 1 . . . . . 1178 SER HA . 27271 2 22 . 2 2 5 5 SER C C 13 171.966 0.000 . 1 . . . . . 1178 SER C . 27271 2 23 . 2 2 5 5 SER CA C 13 55.969 0.048 . 1 . . . . . 1178 SER CA . 27271 2 24 . 2 2 5 5 SER CB C 13 61.159 0.012 . 1 . . . . . 1178 SER CB . 27271 2 25 . 2 2 5 5 SER N N 15 116.61 0.150 . 1 . . . . . 1178 SER N . 27271 2 26 . 2 2 6 6 SER H H 1 8.207 0.005 . 1 . . . . . 1179 SER HN . 27271 2 27 . 2 2 6 6 SER HA H 1 4.361 0.000 . 1 . . . . . 1179 SER HA . 27271 2 28 . 2 2 6 6 SER CA C 13 55.907 0.040 . 1 . . . . . 1179 SER CA . 27271 2 29 . 2 2 6 6 SER CB C 13 61.149 0.035 . 1 . . . . . 1179 SER CB . 27271 2 30 . 2 2 6 6 SER N N 15 117.256 0.144 . 1 . . . . . 1179 SER N . 27271 2 31 . 2 2 7 7 SER H H 1 8.331 0.006 . 1 . . . . . 1180 SER HN . 27271 2 32 . 2 2 7 7 SER HA H 1 4.428 0.000 . 1 . . . . . 1180 SER HA . 27271 2 33 . 2 2 7 7 SER C C 13 171.471 0.000 . 1 . . . . . 1180 SER C . 27271 2 34 . 2 2 7 7 SER CA C 13 55.891 0.098 . 1 . . . . . 1180 SER CA . 27271 2 35 . 2 2 7 7 SER CB C 13 61.106 0.023 . 1 . . . . . 1180 SER CB . 27271 2 36 . 2 2 7 7 SER N N 15 117.758 0.220 . 1 . . . . . 1180 SER N . 27271 2 37 . 2 2 8 8 ASN H H 1 8.233 0.014 . 1 . . . . . 1181 ASN HN . 27271 2 38 . 2 2 8 8 ASN HA H 1 4.67 0.038 . 1 . . . . . 1181 ASN HA . 27271 2 39 . 2 2 8 8 ASN HB2 H 1 2.776 0.018 . 2 . . . . . 1181 ASN HB2 . 27271 2 40 . 2 2 8 8 ASN HB3 H 1 2.723 0.000 . 2 . . . . . 1181 ASN HB3 . 27271 2 41 . 2 2 8 8 ASN C C 13 174.514 0.000 . 1 . . . . . 1181 ASN C . 27271 2 42 . 2 2 8 8 ASN CA C 13 50.624 0.090 . 1 . . . . . 1181 ASN CA . 27271 2 43 . 2 2 8 8 ASN CB C 13 36.15 0.137 . 1 . . . . . 1181 ASN CB . 27271 2 44 . 2 2 8 8 ASN N N 15 120.104 0.090 . 1 . . . . . 1181 ASN N . 27271 2 45 . 2 2 9 9 HIS H H 1 8.308 0.015 . 1 . . . . . 1182 HIS HN . 27271 2 46 . 2 2 9 9 HIS HA H 1 4.547 0.009 . 1 . . . . . 1182 HIS HA . 27271 2 47 . 2 2 9 9 HIS HB2 H 1 2.988 0.054 . 2 . . . . . 1182 HIS QB . 27271 2 48 . 2 2 9 9 HIS HB3 H 1 2.988 0.054 . 2 . . . . . 1182 HIS QB . 27271 2 49 . 2 2 9 9 HIS C C 13 171.693 0.000 . 1 . . . . . 1182 HIS C . 27271 2 50 . 2 2 9 9 HIS CA C 13 53.129 0.110 . 1 . . . . . 1182 HIS CA . 27271 2 51 . 2 2 9 9 HIS CB C 13 26.373 0.157 . 1 . . . . . 1182 HIS CB . 27271 2 52 . 2 2 9 9 HIS N N 15 118.789 0.202 . 1 . . . . . 1182 HIS N . 27271 2 53 . 2 2 10 10 LEU H H 1 8.096 0.018 . 1 . . . . . 1183 LEU HN . 27271 2 54 . 2 2 10 10 LEU HA H 1 4.168 0.010 . 1 . . . . . 1183 LEU HA . 27271 2 55 . 2 2 10 10 LEU HD11 H 1 0.79 0.025 . 2 . . . . . 1183 LEU QD1 . 27271 2 56 . 2 2 10 10 LEU HD12 H 1 0.79 0.025 . 2 . . . . . 1183 LEU QD1 . 27271 2 57 . 2 2 10 10 LEU HD13 H 1 0.79 0.025 . 2 . . . . . 1183 LEU QD1 . 27271 2 58 . 2 2 10 10 LEU HD21 H 1 0.756 0.010 . 2 . . . . . 1183 LEU QD2 . 27271 2 59 . 2 2 10 10 LEU HD22 H 1 0.756 0.010 . 2 . . . . . 1183 LEU QD2 . 27271 2 60 . 2 2 10 10 LEU HD23 H 1 0.756 0.010 . 2 . . . . . 1183 LEU QD2 . 27271 2 61 . 2 2 10 10 LEU C C 13 174.444 0.000 . 1 . . . . . 1183 LEU C . 27271 2 62 . 2 2 10 10 LEU CA C 13 52.742 0.057 . 1 . . . . . 1183 LEU CA . 27271 2 63 . 2 2 10 10 LEU CB C 13 39.545 0.078 . 1 . . . . . 1183 LEU CB . 27271 2 64 . 2 2 10 10 LEU CG C 13 24.259 0.000 . 1 . . . . . 1183 LEU CG . 27271 2 65 . 2 2 10 10 LEU CD1 C 13 22.242 0.023 . 2 . . . . . 1183 LEU CD1 . 27271 2 66 . 2 2 10 10 LEU CD2 C 13 20.857 0.118 . 2 . . . . . 1183 LEU CD2 . 27271 2 67 . 2 2 10 10 LEU N N 15 122.966 0.093 . 1 . . . . . 1183 LEU N . 27271 2 68 . 2 2 11 11 GLU H H 1 8.287 0.026 . 1 . . . . . 1184 GLU HN . 27271 2 69 . 2 2 11 11 GLU HA H 1 4.18 0.011 . 1 . . . . . 1184 GLU HA . 27271 2 70 . 2 2 11 11 GLU HB2 H 1 1.959 0.018 . 2 . . . . . 1184 GLU HB2 . 27271 2 71 . 2 2 11 11 GLU HB3 H 1 1.829 0.022 . 2 . . . . . 1184 GLU HB3 . 27271 2 72 . 2 2 11 11 GLU HG2 H 1 2.167 0.018 . 2 . . . . . 1184 GLU HG2 . 27271 2 73 . 2 2 11 11 GLU HG3 H 1 2.171 0.013 . 2 . . . . . 1184 GLU HG3 . 27271 2 74 . 2 2 11 11 GLU C C 13 173.049 0.000 . 1 . . . . . 1184 GLU C . 27271 2 75 . 2 2 11 11 GLU CA C 13 53.542 0.044 . 1 . . . . . 1184 GLU CA . 27271 2 76 . 2 2 11 11 GLU CB C 13 27.547 0.153 . 1 . . . . . 1184 GLU CB . 27271 2 77 . 2 2 11 11 GLU CG C 13 33.536 0.107 . 1 . . . . . 1184 GLU CG . 27271 2 78 . 2 2 11 11 GLU N N 15 120.699 0.053 . 1 . . . . . 1184 GLU N . 27271 2 79 . 2 2 12 12 ASP H H 1 8.138 0.012 . 1 . . . . . 1185 ASP HN . 27271 2 80 . 2 2 12 12 ASP HA H 1 4.768 0.009 . 1 . . . . . 1185 ASP HA . 27271 2 81 . 2 2 12 12 ASP HB2 H 1 2.707 0.004 . 2 . . . . . 1185 ASP HB2 . 27271 2 82 . 2 2 12 12 ASP HB3 H 1 2.49 0.009 . 2 . . . . . 1185 ASP HB3 . 27271 2 83 . 2 2 12 12 ASP CA C 13 49.476 0.070 . 1 . . . . . 1185 ASP CA . 27271 2 84 . 2 2 12 12 ASP CB C 13 38.795 0.047 . 1 . . . . . 1185 ASP CB . 27271 2 85 . 2 2 12 12 ASP N N 15 122.842 0.111 . 1 . . . . . 1185 ASP N . 27271 2 86 . 2 2 13 13 PRO HA H 1 4.288 0.010 . 1 . . . . . 1186 PRO HA . 27271 2 87 . 2 2 13 13 PRO HB2 H 1 2.111 0.013 . 2 . . . . . 1186 PRO HB2 . 27271 2 88 . 2 2 13 13 PRO HB3 H 1 1.579 0.015 . 2 . . . . . 1186 PRO HB3 . 27271 2 89 . 2 2 13 13 PRO HG2 H 1 1.889 0.008 . 2 . . . . . 1186 PRO HG2 . 27271 2 90 . 2 2 13 13 PRO HG3 H 1 1.717 0.020 . 2 . . . . . 1186 PRO HG3 . 27271 2 91 . 2 2 13 13 PRO HD2 H 1 3.696 0.025 . 2 . . . . . 1186 PRO HD2 . 27271 2 92 . 2 2 13 13 PRO HD3 H 1 3.741 0.012 . 2 . . . . . 1186 PRO HD3 . 27271 2 93 . 2 2 13 13 PRO C C 13 174.312 0.000 . 1 . . . . . 1186 PRO C . 27271 2 94 . 2 2 13 13 PRO CA C 13 60.834 0.103 . 1 . . . . . 1186 PRO CA . 27271 2 95 . 2 2 13 13 PRO CB C 13 29.379 0.073 . 1 . . . . . 1186 PRO CB . 27271 2 96 . 2 2 13 13 PRO CG C 13 24.487 0.069 . 1 . . . . . 1186 PRO CG . 27271 2 97 . 2 2 13 13 PRO CD C 13 48.125 0.097 . 1 . . . . . 1186 PRO CD . 27271 2 98 . 2 2 14 14 HIS H H 1 8.492 0.012 . 1 . . . . . 1187 HIS HN . 27271 2 99 . 2 2 14 14 HIS HA H 1 4.518 0.022 . 1 . . . . . 1187 HIS HA . 27271 2 100 . 2 2 14 14 HIS HB2 H 1 3.069 0.034 . 2 . . . . . 1187 HIS HB2 . 27271 2 101 . 2 2 14 14 HIS HB3 H 1 3.046 0.020 . 2 . . . . . 1187 HIS HB3 . 27271 2 102 . 2 2 14 14 HIS C C 13 172.027 0.000 . 1 . . . . . 1187 HIS C . 27271 2 103 . 2 2 14 14 HIS CA C 13 52.979 0.113 . 1 . . . . . 1187 HIS CA . 27271 2 104 . 2 2 14 14 HIS CB C 13 26.173 0.198 . 1 . . . . . 1187 HIS CB . 27271 2 105 . 2 2 14 14 HIS N N 15 117.472 0.029 . 1 . . . . . 1187 HIS N . 27271 2 106 . 2 2 15 15 TYR H H 1 7.904 0.018 . 1 . . . . . 1188 TYR HN . 27271 2 107 . 2 2 15 15 TYR HA H 1 4.393 0.025 . 1 . . . . . 1188 TYR HA . 27271 2 108 . 2 2 15 15 TYR HB2 H 1 2.939 0.040 . 2 . . . . . 1188 TYR HB2 . 27271 2 109 . 2 2 15 15 TYR HB3 H 1 2.964 0.030 . 2 . . . . . 1188 TYR HB3 . 27271 2 110 . 2 2 15 15 TYR C C 13 173.372 0.000 . 1 . . . . . 1188 TYR C . 27271 2 111 . 2 2 15 15 TYR CA C 13 56.088 0.105 . 1 . . . . . 1188 TYR CA . 27271 2 112 . 2 2 15 15 TYR CB C 13 36.092 0.068 . 1 . . . . . 1188 TYR CB . 27271 2 113 . 2 2 15 15 TYR CD1 C 13 130.686 0.000 . 3 . . . . . 1188 TYR CD* . 27271 2 114 . 2 2 15 15 TYR CD2 C 13 130.686 0.000 . 3 . . . . . 1188 TYR CD* . 27271 2 115 . 2 2 15 15 TYR CE1 C 13 117.388 0.000 . 3 . . . . . 1188 TYR CE* . 27271 2 116 . 2 2 15 15 TYR CE2 C 13 117.388 0.000 . 3 . . . . . 1188 TYR CE* . 27271 2 117 . 2 2 15 15 TYR N N 15 120.664 0.073 . 1 . . . . . 1188 TYR N . 27271 2 118 . 2 2 16 16 SER H H 1 8.073 0.008 . 1 . . . . . 1189 SER HN . 27271 2 119 . 2 2 16 16 SER HA H 1 4.256 0.014 . 1 . . . . . 1189 SER HA . 27271 2 120 . 2 2 16 16 SER HB2 H 1 3.722 0.020 . 2 . . . . . 1189 SER HB2 . 27271 2 121 . 2 2 16 16 SER HB3 H 1 3.738 0.004 . 2 . . . . . 1189 SER HB3 . 27271 2 122 . 2 2 16 16 SER C C 13 171.647 0.000 . 1 . . . . . 1189 SER C . 27271 2 123 . 2 2 16 16 SER CA C 13 56.059 0.098 . 1 . . . . . 1189 SER CA . 27271 2 124 . 2 2 16 16 SER CB C 13 61.158 0.012 . 1 . . . . . 1189 SER CB . 27271 2 125 . 2 2 16 16 SER N N 15 116.979 0.143 . 1 . . . . . 1189 SER N . 27271 2 126 . 2 2 17 17 GLU H H 1 8.213 0.012 . 1 . . . . . 1190 GLU HN . 27271 2 127 . 2 2 17 17 GLU HA H 1 4.191 0.023 . 1 . . . . . 1190 GLU HA . 27271 2 128 . 2 2 17 17 GLU HB2 H 1 1.983 0.022 . 2 . . . . . 1190 GLU HB2 . 27271 2 129 . 2 2 17 17 GLU HB3 H 1 1.871 0.028 . 2 . . . . . 1190 GLU HB3 . 27271 2 130 . 2 2 17 17 GLU HG2 H 1 2.181 0.013 . 2 . . . . . 1190 GLU HG2 . 27271 2 131 . 2 2 17 17 GLU HG3 H 1 2.181 0.011 . 2 . . . . . 1190 GLU HG3 . 27271 2 132 . 2 2 17 17 GLU C C 13 173.611 0.000 . 1 . . . . . 1190 GLU C . 27271 2 133 . 2 2 17 17 GLU CA C 13 54.104 0.069 . 1 . . . . . 1190 GLU CA . 27271 2 134 . 2 2 17 17 GLU CB C 13 27.378 0.103 . 1 . . . . . 1190 GLU CB . 27271 2 135 . 2 2 17 17 GLU CG C 13 33.573 0.097 . 1 . . . . . 1190 GLU CG . 27271 2 136 . 2 2 17 17 GLU N N 15 121.968 0.163 . 1 . . . . . 1190 GLU N . 27271 2 137 . 2 2 18 18 LEU H H 1 7.886 0.013 . 1 . . . . . 1191 LEU HN . 27271 2 138 . 2 2 18 18 LEU HA H 1 4.218 0.021 . 1 . . . . . 1191 LEU HA . 27271 2 139 . 2 2 18 18 LEU HB2 H 1 1.517 0.015 . 2 . . . . . 1191 LEU HB2 . 27271 2 140 . 2 2 18 18 LEU HB3 H 1 1.526 0.015 . 2 . . . . . 1191 LEU HB3 . 27271 2 141 . 2 2 18 18 LEU HG H 1 1.456 0.029 . 1 . . . . . 1191 LEU HG . 27271 2 142 . 2 2 18 18 LEU HD11 H 1 0.783 0.028 . 2 . . . . . 1191 LEU QD1 . 27271 2 143 . 2 2 18 18 LEU HD12 H 1 0.783 0.028 . 2 . . . . . 1191 LEU QD1 . 27271 2 144 . 2 2 18 18 LEU HD13 H 1 0.783 0.028 . 2 . . . . . 1191 LEU QD1 . 27271 2 145 . 2 2 18 18 LEU HD21 H 1 0.765 0.019 . 2 . . . . . 1191 LEU QD2 . 27271 2 146 . 2 2 18 18 LEU HD22 H 1 0.765 0.019 . 2 . . . . . 1191 LEU QD2 . 27271 2 147 . 2 2 18 18 LEU HD23 H 1 0.765 0.019 . 2 . . . . . 1191 LEU QD2 . 27271 2 148 . 2 2 18 18 LEU C C 13 174.294 0.000 . 1 . . . . . 1191 LEU C . 27271 2 149 . 2 2 18 18 LEU CA C 13 52.672 0.051 . 1 . . . . . 1191 LEU CA . 27271 2 150 . 2 2 18 18 LEU CB C 13 39.628 0.073 . 1 . . . . . 1191 LEU CB . 27271 2 151 . 2 2 18 18 LEU CG C 13 24.327 0.090 . 1 . . . . . 1191 LEU CG . 27271 2 152 . 2 2 18 18 LEU CD1 C 13 22.266 0.080 . 2 . . . . . 1191 LEU CD1 . 27271 2 153 . 2 2 18 18 LEU CD2 C 13 21.021 0.150 . 2 . . . . . 1191 LEU CD2 . 27271 2 154 . 2 2 18 18 LEU N N 15 121.716 0.129 . 1 . . . . . 1191 LEU N . 27271 2 155 . 2 2 19 19 THR H H 1 7.902 0.018 . 1 . . . . . 1192 THR HN . 27271 2 156 . 2 2 19 19 THR HA H 1 4.151 0.032 . 1 . . . . . 1192 THR HA . 27271 2 157 . 2 2 19 19 THR HB H 1 4.058 0.011 . 1 . . . . . 1192 THR HB . 27271 2 158 . 2 2 19 19 THR HG21 H 1 1.023 0.012 . 1 . . . . . 1192 THR QG2 . 27271 2 159 . 2 2 19 19 THR HG22 H 1 1.023 0.012 . 1 . . . . . 1192 THR QG2 . 27271 2 160 . 2 2 19 19 THR HG23 H 1 1.023 0.012 . 1 . . . . . 1192 THR QG2 . 27271 2 161 . 2 2 19 19 THR C C 13 170.96 0.000 . 1 . . . . . 1192 THR C . 27271 2 162 . 2 2 19 19 THR CA C 13 59.513 0.085 . 1 . . . . . 1192 THR CA . 27271 2 163 . 2 2 19 19 THR CB C 13 67.118 0.074 . 1 . . . . . 1192 THR CB . 27271 2 164 . 2 2 19 19 THR CG2 C 13 18.911 0.158 . 1 . . . . . 1192 THR CG2 . 27271 2 165 . 2 2 19 19 THR N N 15 113.658 0.168 . 1 . . . . . 1192 THR N . 27271 2 166 . 2 2 20 20 ASN H H 1 7.937 0.014 . 1 . . . . . 1193 ASN HN . 27271 2 167 . 2 2 20 20 ASN HA H 1 4.706 0.015 . 1 . . . . . 1193 ASN HA . 27271 2 168 . 2 2 20 20 ASN HB2 H 1 2.481 0.004 . 2 . . . . . 1193 ASN HB2 . 27271 2 169 . 2 2 20 20 ASN HB3 H 1 2.696 0.015 . 2 . . . . . 1193 ASN HB3 . 27271 2 170 . 2 2 20 20 ASN HD21 H 1 6.772 0.031 . 2 . . . . . 1193 ASN HD21 . 27271 2 171 . 2 2 20 20 ASN HD22 H 1 7.534 0.031 . 2 . . . . . 1193 ASN HD22 . 27271 2 172 . 2 2 20 20 ASN C C 13 171.105 0.000 . 1 . . . . . 1193 ASN C . 27271 2 173 . 2 2 20 20 ASN CA C 13 50.64 0.077 . 1 . . . . . 1193 ASN CA . 27271 2 174 . 2 2 20 20 ASN CB C 13 37.528 0.086 . 1 . . . . . 1193 ASN CB . 27271 2 175 . 2 2 20 20 ASN N N 15 120.113 0.100 . 1 . . . . . 1193 ASN N . 27271 2 176 . 2 2 20 20 ASN ND2 N 15 112.549 0.007 . 1 . . . . . 1193 ASN ND2 . 27271 2 177 . 2 2 21 21 LEU H H 1 8.627 0.018 . 1 . . . . . 1194 LEU HN . 27271 2 178 . 2 2 21 21 LEU HA H 1 3.917 0.014 . 1 . . . . . 1194 LEU HA . 27271 2 179 . 2 2 21 21 LEU HB2 H 1 1.19 0.013 . 2 . . . . . 1194 LEU HB2 . 27271 2 180 . 2 2 21 21 LEU HB3 H 1 1.593 0.017 . 2 . . . . . 1194 LEU HB3 . 27271 2 181 . 2 2 21 21 LEU HG H 1 1.202 0.011 . 1 . . . . . 1194 LEU HG . 27271 2 182 . 2 2 21 21 LEU HD11 H 1 0.59 0.015 . 1 . . . . . 1194 LEU QD1 . 27271 2 183 . 2 2 21 21 LEU HD12 H 1 0.59 0.015 . 1 . . . . . 1194 LEU QD1 . 27271 2 184 . 2 2 21 21 LEU HD13 H 1 0.59 0.015 . 1 . . . . . 1194 LEU QD1 . 27271 2 185 . 2 2 21 21 LEU HD21 H 1 0.395 0.012 . 1 . . . . . 1194 LEU QD2 . 27271 2 186 . 2 2 21 21 LEU HD22 H 1 0.395 0.012 . 1 . . . . . 1194 LEU QD2 . 27271 2 187 . 2 2 21 21 LEU HD23 H 1 0.395 0.012 . 1 . . . . . 1194 LEU QD2 . 27271 2 188 . 2 2 21 21 LEU C C 13 172.516 0.000 . 1 . . . . . 1194 LEU C . 27271 2 189 . 2 2 21 21 LEU CA C 13 50.498 0.104 . 1 . . . . . 1194 LEU CA . 27271 2 190 . 2 2 21 21 LEU CB C 13 39.963 0.194 . 1 . . . . . 1194 LEU CB . 27271 2 191 . 2 2 21 21 LEU CG C 13 23.543 0.065 . 1 . . . . . 1194 LEU CG . 27271 2 192 . 2 2 21 21 LEU CD1 C 13 24.527 0.080 . 1 . . . . . 1194 LEU CD1 . 27271 2 193 . 2 2 21 21 LEU CD2 C 13 20.65 0.079 . 1 . . . . . 1194 LEU CD2 . 27271 2 194 . 2 2 21 21 LEU N N 15 125.404 0.198 . 1 . . . . . 1194 LEU N . 27271 2 195 . 2 2 22 22 LYS H H 1 7.876 0.018 . 1 . . . . . 1195 LYS HN . 27271 2 196 . 2 2 22 22 LYS HA H 1 4.532 0.015 . 1 . . . . . 1195 LYS HA . 27271 2 197 . 2 2 22 22 LYS HB2 H 1 1.618 0.012 . 2 . . . . . 1195 LYS HB2 . 27271 2 198 . 2 2 22 22 LYS HB3 H 1 1.628 0.012 . 2 . . . . . 1195 LYS HB3 . 27271 2 199 . 2 2 22 22 LYS HG2 H 1 1.132 0.039 . 2 . . . . . 1195 LYS HG2 . 27271 2 200 . 2 2 22 22 LYS HG3 H 1 1.204 0.024 . 2 . . . . . 1195 LYS HG3 . 27271 2 201 . 2 2 22 22 LYS HD2 H 1 1.463 0.006 . 2 . . . . . 1195 LYS HD2 . 27271 2 202 . 2 2 22 22 LYS HD3 H 1 1.478 0.006 . 2 . . . . . 1195 LYS HD3 . 27271 2 203 . 2 2 22 22 LYS HE2 H 1 2.733 0.017 . 2 . . . . . 1195 LYS HE2 . 27271 2 204 . 2 2 22 22 LYS HE3 H 1 2.734 0.015 . 2 . . . . . 1195 LYS HE3 . 27271 2 205 . 2 2 22 22 LYS C C 13 173.819 0.000 . 1 . . . . . 1195 LYS C . 27271 2 206 . 2 2 22 22 LYS CA C 13 54.13 0.053 . 1 . . . . . 1195 LYS CA . 27271 2 207 . 2 2 22 22 LYS CB C 13 30.435 0.067 . 1 . . . . . 1195 LYS CB . 27271 2 208 . 2 2 22 22 LYS CG C 13 22.386 0.069 . 1 . . . . . 1195 LYS CG . 27271 2 209 . 2 2 22 22 LYS CD C 13 26.549 0.059 . 1 . . . . . 1195 LYS CD . 27271 2 210 . 2 2 22 22 LYS CE C 13 39.066 0.011 . 1 . . . . . 1195 LYS CE . 27271 2 211 . 2 2 22 22 LYS N N 15 122.439 0.109 . 1 . . . . . 1195 LYS N . 27271 2 212 . 2 2 23 23 VAL H H 1 9.123 0.013 . 1 . . . . . 1196 VAL HN . 27271 2 213 . 2 2 23 23 VAL HA H 1 4.002 0.009 . 1 . . . . . 1196 VAL HA . 27271 2 214 . 2 2 23 23 VAL HB H 1 0.462 0.032 . 1 . . . . . 1196 VAL HB . 27271 2 215 . 2 2 23 23 VAL HG11 H 1 0.577 0.013 . 1 . . . . . 1196 VAL QG1 . 27271 2 216 . 2 2 23 23 VAL HG12 H 1 0.577 0.013 . 1 . . . . . 1196 VAL QG1 . 27271 2 217 . 2 2 23 23 VAL HG13 H 1 0.577 0.013 . 1 . . . . . 1196 VAL QG1 . 27271 2 218 . 2 2 23 23 VAL HG21 H 1 0.604 0.011 . 1 . . . . . 1196 VAL QG2 . 27271 2 219 . 2 2 23 23 VAL HG22 H 1 0.604 0.011 . 1 . . . . . 1196 VAL QG2 . 27271 2 220 . 2 2 23 23 VAL HG23 H 1 0.604 0.011 . 1 . . . . . 1196 VAL QG2 . 27271 2 221 . 2 2 23 23 VAL C C 13 171.123 0.000 . 1 . . . . . 1196 VAL C . 27271 2 222 . 2 2 23 23 VAL CA C 13 58.676 0.096 . 1 . . . . . 1196 VAL CA . 27271 2 223 . 2 2 23 23 VAL CB C 13 30.236 0.084 . 1 . . . . . 1196 VAL CB . 27271 2 224 . 2 2 23 23 VAL CG1 C 13 19.437 0.083 . 1 . . . . . 1196 VAL CG1 . 27271 2 225 . 2 2 23 23 VAL CG2 C 13 19.578 0.122 . 1 . . . . . 1196 VAL CG2 . 27271 2 226 . 2 2 23 23 VAL N N 15 130.118 0.087 . 1 . . . . . 1196 VAL N . 27271 2 227 . 2 2 24 24 CYS H H 1 7.529 0.018 . 1 . . . . . 1197 CYS HN . 27271 2 228 . 2 2 24 24 CYS HA H 1 5.205 0.013 . 1 . . . . . 1197 CYS HA . 27271 2 229 . 2 2 24 24 CYS HB2 H 1 2.638 0.008 . 2 . . . . . 1197 CYS HB2 . 27271 2 230 . 2 2 24 24 CYS HB3 H 1 2.651 0.014 . 2 . . . . . 1197 CYS HB3 . 27271 2 231 . 2 2 24 24 CYS C C 13 171.496 0.000 . 1 . . . . . 1197 CYS C . 27271 2 232 . 2 2 24 24 CYS CA C 13 53.945 0.075 . 1 . . . . . 1197 CYS CA . 27271 2 233 . 2 2 24 24 CYS CB C 13 27.26 0.077 . 1 . . . . . 1197 CYS CB . 27271 2 234 . 2 2 24 24 CYS N N 15 123.604 0.120 . 1 . . . . . 1197 CYS N . 27271 2 235 . 2 2 25 25 ILE H H 1 9.643 0.010 . 1 . . . . . 1198 ILE HN . 27271 2 236 . 2 2 25 25 ILE HA H 1 4.228 0.015 . 1 . . . . . 1198 ILE HA . 27271 2 237 . 2 2 25 25 ILE HB H 1 1.874 0.017 . 1 . . . . . 1198 ILE HB . 27271 2 238 . 2 2 25 25 ILE HG12 H 1 1.58 0.014 . 2 . . . . . 1198 ILE HG12 . 27271 2 239 . 2 2 25 25 ILE HG13 H 1 1.213 0.012 . 2 . . . . . 1198 ILE HG13 . 27271 2 240 . 2 2 25 25 ILE HG21 H 1 0.744 0.037 . 1 . . . . . 1198 ILE QG2 . 27271 2 241 . 2 2 25 25 ILE HG22 H 1 0.744 0.037 . 1 . . . . . 1198 ILE QG2 . 27271 2 242 . 2 2 25 25 ILE HG23 H 1 0.744 0.037 . 1 . . . . . 1198 ILE QG2 . 27271 2 243 . 2 2 25 25 ILE HD11 H 1 0.85 0.026 . 1 . . . . . 1198 ILE QD1 . 27271 2 244 . 2 2 25 25 ILE HD12 H 1 0.85 0.026 . 1 . . . . . 1198 ILE QD1 . 27271 2 245 . 2 2 25 25 ILE HD13 H 1 0.85 0.026 . 1 . . . . . 1198 ILE QD1 . 27271 2 246 . 2 2 25 25 ILE C C 13 172.33 0.000 . 1 . . . . . 1198 ILE C . 27271 2 247 . 2 2 25 25 ILE CA C 13 57.524 0.071 . 1 . . . . . 1198 ILE CA . 27271 2 248 . 2 2 25 25 ILE CB C 13 39.126 0.095 . 1 . . . . . 1198 ILE CB . 27271 2 249 . 2 2 25 25 ILE CG1 C 13 24.895 0.089 . 1 . . . . . 1198 ILE CG1 . 27271 2 250 . 2 2 25 25 ILE CG2 C 13 14.617 0.086 . 1 . . . . . 1198 ILE CG2 . 27271 2 251 . 2 2 25 25 ILE CD1 C 13 11.345 0.064 . 1 . . . . . 1198 ILE CD1 . 27271 2 252 . 2 2 25 25 ILE N N 15 126.295 0.118 . 1 . . . . . 1198 ILE N . 27271 2 253 . 2 2 26 26 GLU H H 1 8.744 0.012 . 1 . . . . . 1199 GLU HN . 27271 2 254 . 2 2 26 26 GLU HA H 1 4.438 0.017 . 1 . . . . . 1199 GLU HA . 27271 2 255 . 2 2 26 26 GLU HB2 H 1 2.009 0.030 . 2 . . . . . 1199 GLU HB2 . 27271 2 256 . 2 2 26 26 GLU HB3 H 1 2.005 0.027 . 2 . . . . . 1199 GLU HB3 . 27271 2 257 . 2 2 26 26 GLU HG2 H 1 2.286 0.014 . 2 . . . . . 1199 GLU HG2 . 27271 2 258 . 2 2 26 26 GLU HG3 H 1 2.285 0.015 . 2 . . . . . 1199 GLU HG3 . 27271 2 259 . 2 2 26 26 GLU C C 13 174.347 0.000 . 1 . . . . . 1199 GLU C . 27271 2 260 . 2 2 26 26 GLU CA C 13 53.92 0.160 . 1 . . . . . 1199 GLU CA . 27271 2 261 . 2 2 26 26 GLU CB C 13 27.068 0.125 . 1 . . . . . 1199 GLU CB . 27271 2 262 . 2 2 26 26 GLU CG C 13 33.897 0.035 . 1 . . . . . 1199 GLU CG . 27271 2 263 . 2 2 26 26 GLU N N 15 128.503 0.078 . 1 . . . . . 1199 GLU N . 27271 2 264 . 2 2 27 27 LEU H H 1 8.669 0.014 . 1 . . . . . 1200 LEU HN . 27271 2 265 . 2 2 27 27 LEU HA H 1 4.026 0.010 . 1 . . . . . 1200 LEU HA . 27271 2 266 . 2 2 27 27 LEU HB2 H 1 1.607 0.031 . 2 . . . . . 1200 LEU HB2 . 27271 2 267 . 2 2 27 27 LEU HB3 H 1 1.47 0.037 . 2 . . . . . 1200 LEU HB3 . 27271 2 268 . 2 2 27 27 LEU HD11 H 1 0.8 0.008 . 1 . . . . . 1200 LEU QD1 . 27271 2 269 . 2 2 27 27 LEU HD12 H 1 0.8 0.008 . 1 . . . . . 1200 LEU QD1 . 27271 2 270 . 2 2 27 27 LEU HD13 H 1 0.8 0.008 . 1 . . . . . 1200 LEU QD1 . 27271 2 271 . 2 2 27 27 LEU HD21 H 1 0.67 0.017 . 1 . . . . . 1200 LEU QD2 . 27271 2 272 . 2 2 27 27 LEU HD22 H 1 0.67 0.017 . 1 . . . . . 1200 LEU QD2 . 27271 2 273 . 2 2 27 27 LEU HD23 H 1 0.67 0.017 . 1 . . . . . 1200 LEU QD2 . 27271 2 274 . 2 2 27 27 LEU C C 13 176.186 0.000 . 1 . . . . . 1200 LEU C . 27271 2 275 . 2 2 27 27 LEU CA C 13 53.888 0.029 . 1 . . . . . 1200 LEU CA . 27271 2 276 . 2 2 27 27 LEU CB C 13 39.804 0.066 . 1 . . . . . 1200 LEU CB . 27271 2 277 . 2 2 27 27 LEU CG C 13 24.187 0.000 . 1 . . . . . 1200 LEU CG . 27271 2 278 . 2 2 27 27 LEU CD1 C 13 23.098 0.108 . 1 . . . . . 1200 LEU CD1 . 27271 2 279 . 2 2 27 27 LEU CD2 C 13 20.352 0.068 . 1 . . . . . 1200 LEU CD2 . 27271 2 280 . 2 2 27 27 LEU N N 15 125.043 0.167 . 1 . . . . . 1200 LEU N . 27271 2 281 . 2 2 28 28 THR H H 1 8.223 0.018 . 1 . . . . . 1201 THR HN . 27271 2 282 . 2 2 28 28 THR HA H 1 3.906 0.018 . 1 . . . . . 1201 THR HA . 27271 2 283 . 2 2 28 28 THR HB H 1 4.071 0.018 . 1 . . . . . 1201 THR HB . 27271 2 284 . 2 2 28 28 THR HG21 H 1 1.192 0.009 . 1 . . . . . 1201 THR QG2 . 27271 2 285 . 2 2 28 28 THR HG22 H 1 1.192 0.009 . 1 . . . . . 1201 THR QG2 . 27271 2 286 . 2 2 28 28 THR HG23 H 1 1.192 0.009 . 1 . . . . . 1201 THR QG2 . 27271 2 287 . 2 2 28 28 THR C C 13 173.223 0.000 . 1 . . . . . 1201 THR C . 27271 2 288 . 2 2 28 28 THR CA C 13 62.146 0.050 . 1 . . . . . 1201 THR CA . 27271 2 289 . 2 2 28 28 THR CB C 13 66.002 0.095 . 1 . . . . . 1201 THR CB . 27271 2 290 . 2 2 28 28 THR CG2 C 13 19.353 0.128 . 1 . . . . . 1201 THR CG2 . 27271 2 291 . 2 2 28 28 THR N N 15 114.728 0.071 . 1 . . . . . 1201 THR N . 27271 2 292 . 2 2 29 29 GLY H H 1 8.435 0.015 . 1 . . . . . 1202 GLY HN . 27271 2 293 . 2 2 29 29 GLY HA2 H 1 3.874 0.035 . 2 . . . . . 1202 GLY HA2 . 27271 2 294 . 2 2 29 29 GLY HA3 H 1 3.871 0.038 . 2 . . . . . 1202 GLY HA3 . 27271 2 295 . 2 2 29 29 GLY C C 13 171.322 0.000 . 1 . . . . . 1202 GLY C . 27271 2 296 . 2 2 29 29 GLY CA C 13 42.774 0.147 . 1 . . . . . 1202 GLY CA . 27271 2 297 . 2 2 29 29 GLY N N 15 111.99 0.077 . 1 . . . . . 1202 GLY N . 27271 2 298 . 2 2 30 30 LEU H H 1 7.646 0.017 . 1 . . . . . 1203 LEU HN . 27271 2 299 . 2 2 30 30 LEU HA H 1 4.195 0.016 . 1 . . . . . 1203 LEU HA . 27271 2 300 . 2 2 30 30 LEU HB2 H 1 1.245 0.009 . 2 . . . . . 1203 LEU HB2 . 27271 2 301 . 2 2 30 30 LEU HB3 H 1 1.528 0.020 . 2 . . . . . 1203 LEU HB3 . 27271 2 302 . 2 2 30 30 LEU HG H 1 1.441 0.027 . 1 . . . . . 1203 LEU HG . 27271 2 303 . 2 2 30 30 LEU HD11 H 1 0.632 0.017 . 1 . . . . . 1203 LEU QD1 . 27271 2 304 . 2 2 30 30 LEU HD12 H 1 0.632 0.017 . 1 . . . . . 1203 LEU QD1 . 27271 2 305 . 2 2 30 30 LEU HD13 H 1 0.632 0.017 . 1 . . . . . 1203 LEU QD1 . 27271 2 306 . 2 2 30 30 LEU HD21 H 1 0.596 0.022 . 1 . . . . . 1203 LEU QD2 . 27271 2 307 . 2 2 30 30 LEU HD22 H 1 0.596 0.022 . 1 . . . . . 1203 LEU QD2 . 27271 2 308 . 2 2 30 30 LEU HD23 H 1 0.596 0.022 . 1 . . . . . 1203 LEU QD2 . 27271 2 309 . 2 2 30 30 LEU C C 13 173.651 0.000 . 1 . . . . . 1203 LEU C . 27271 2 310 . 2 2 30 30 LEU CA C 13 52.157 0.053 . 1 . . . . . 1203 LEU CA . 27271 2 311 . 2 2 30 30 LEU CB C 13 39.605 0.106 . 1 . . . . . 1203 LEU CB . 27271 2 312 . 2 2 30 30 LEU CG C 13 24.264 0.085 . 1 . . . . . 1203 LEU CG . 27271 2 313 . 2 2 30 30 LEU CD1 C 13 23.393 0.078 . 1 . . . . . 1203 LEU CD1 . 27271 2 314 . 2 2 30 30 LEU CD2 C 13 20.932 0.075 . 1 . . . . . 1203 LEU CD2 . 27271 2 315 . 2 2 30 30 LEU N N 15 118.894 0.097 . 1 . . . . . 1203 LEU N . 27271 2 316 . 2 2 31 31 HIS H H 1 8.12 0.019 . 1 . . . . . 1204 HIS HN . 27271 2 317 . 2 2 31 31 HIS HA H 1 4.896 0.010 . 1 . . . . . 1204 HIS HA . 27271 2 318 . 2 2 31 31 HIS HB2 H 1 2.942 0.027 . 2 . . . . . 1204 HIS HB2 . 27271 2 319 . 2 2 31 31 HIS HB3 H 1 3.054 0.023 . 2 . . . . . 1204 HIS HB3 . 27271 2 320 . 2 2 31 31 HIS CA C 13 50.59 0.113 . 1 . . . . . 1204 HIS CA . 27271 2 321 . 2 2 31 31 HIS CB C 13 26.988 0.115 . 1 . . . . . 1204 HIS CB . 27271 2 322 . 2 2 31 31 HIS N N 15 116.871 0.129 . 1 . . . . . 1204 HIS N . 27271 2 323 . 2 2 32 32 PRO HA H 1 4.357 0.013 . 1 . . . . . 1205 PRO HA . 27271 2 324 . 2 2 32 32 PRO HB2 H 1 1.884 0.005 . 2 . . . . . 1205 PRO HB2 . 27271 2 325 . 2 2 32 32 PRO HB3 H 1 2.135 0.012 . 2 . . . . . 1205 PRO HB3 . 27271 2 326 . 2 2 32 32 PRO HG2 H 1 1.901 0.019 . 2 . . . . . 1205 PRO HG2 . 27271 2 327 . 2 2 32 32 PRO HG3 H 1 1.879 0.028 . 2 . . . . . 1205 PRO HG3 . 27271 2 328 . 2 2 32 32 PRO HD2 H 1 3.555 0.023 . 2 . . . . . 1205 PRO QD . 27271 2 329 . 2 2 32 32 PRO HD3 H 1 3.555 0.023 . 2 . . . . . 1205 PRO QD . 27271 2 330 . 2 2 32 32 PRO C C 13 173.733 0.000 . 1 . . . . . 1205 PRO C . 27271 2 331 . 2 2 32 32 PRO CA C 13 60.353 0.093 . 1 . . . . . 1205 PRO CA . 27271 2 332 . 2 2 32 32 PRO CB C 13 29.542 0.151 . 1 . . . . . 1205 PRO CB . 27271 2 333 . 2 2 32 32 PRO CG C 13 24.653 0.133 . 1 . . . . . 1205 PRO CG . 27271 2 334 . 2 2 32 32 PRO CD C 13 47.926 0.084 . 1 . . . . . 1205 PRO CD . 27271 2 335 . 2 2 33 33 LYS H H 1 8.618 0.019 . 1 . . . . . 1206 LYS HN . 27271 2 336 . 2 2 33 33 LYS HA H 1 4.178 0.014 . 1 . . . . . 1206 LYS HA . 27271 2 337 . 2 2 33 33 LYS HB2 H 1 1.703 0.024 . 2 . . . . . 1206 LYS QB . 27271 2 338 . 2 2 33 33 LYS HB3 H 1 1.703 0.024 . 2 . . . . . 1206 LYS QB . 27271 2 339 . 2 2 33 33 LYS HG2 H 1 1.338 0.032 . 2 . . . . . 1206 LYS HG2 . 27271 2 340 . 2 2 33 33 LYS HG3 H 1 1.36 0.000 . 2 . . . . . 1206 LYS HG3 . 27271 2 341 . 2 2 33 33 LYS HD2 H 1 1.402 0.006 . 2 . . . . . 1206 LYS QD . 27271 2 342 . 2 2 33 33 LYS HD3 H 1 1.402 0.006 . 2 . . . . . 1206 LYS QD . 27271 2 343 . 2 2 33 33 LYS HE2 H 1 2.234 0.000 . 2 . . . . . 1206 LYS HE2 . 27271 2 344 . 2 2 33 33 LYS HE3 H 1 2.463 0.017 . 2 . . . . . 1206 LYS HE3 . 27271 2 345 . 2 2 33 33 LYS C C 13 172.985 0.000 . 1 . . . . . 1206 LYS C . 27271 2 346 . 2 2 33 33 LYS CA C 13 54.036 0.058 . 1 . . . . . 1206 LYS CA . 27271 2 347 . 2 2 33 33 LYS CB C 13 30.405 0.100 . 1 . . . . . 1206 LYS CB . 27271 2 348 . 2 2 33 33 LYS CG C 13 22.205 0.157 . 1 . . . . . 1206 LYS CG . 27271 2 349 . 2 2 33 33 LYS CD C 13 26.701 0.198 . 1 . . . . . 1206 LYS CD . 27271 2 350 . 2 2 33 33 LYS CE C 13 39.284 0.473 . 1 . . . . . 1206 LYS CE . 27271 2 351 . 2 2 33 33 LYS N N 15 122.753 0.131 . 1 . . . . . 1206 LYS N . 27271 2 352 . 2 2 34 34 LYS H H 1 7.905 0.015 . 1 . . . . . 1207 LYS HN . 27271 2 353 . 2 2 34 34 LYS HA H 1 4.069 0.005 . 1 . . . . . 1207 LYS HA . 27271 2 354 . 2 2 34 34 LYS HB2 H 1 1.631 0.022 . 2 . . . . . 1207 LYS HB2 . 27271 2 355 . 2 2 34 34 LYS HB3 H 1 1.699 0.029 . 2 . . . . . 1207 LYS HB3 . 27271 2 356 . 2 2 34 34 LYS HG2 H 1 1.401 0.028 . 2 . . . . . 1207 LYS HG2 . 27271 2 357 . 2 2 34 34 LYS HG3 H 1 1.356 0.032 . 2 . . . . . 1207 LYS HG3 . 27271 2 358 . 2 2 34 34 LYS HD2 H 1 1.611 0.025 . 2 . . . . . 1207 LYS HD2 . 27271 2 359 . 2 2 34 34 LYS HD3 H 1 1.64 0.035 . 2 . . . . . 1207 LYS HD3 . 27271 2 360 . 2 2 34 34 LYS HE2 H 1 2.919 0.010 . 2 . . . . . 1207 LYS HE2 . 27271 2 361 . 2 2 34 34 LYS HE3 H 1 2.931 0.005 . 2 . . . . . 1207 LYS HE3 . 27271 2 362 . 2 2 34 34 LYS CA C 13 55.137 0.121 . 1 . . . . . 1207 LYS CA . 27271 2 363 . 2 2 34 34 LYS CB C 13 31.059 0.117 . 1 . . . . . 1207 LYS CB . 27271 2 364 . 2 2 34 34 LYS CG C 13 22.152 0.054 . 1 . . . . . 1207 LYS CG . 27271 2 365 . 2 2 34 34 LYS CD C 13 26.497 0.100 . 1 . . . . . 1207 LYS CD . 27271 2 366 . 2 2 34 34 LYS CE C 13 39.54 0.090 . 1 . . . . . 1207 LYS CE . 27271 2 367 . 2 2 34 34 LYS N N 15 127.959 0.083 . 1 . . . . . 1207 LYS N . 27271 2 stop_ save_